| 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 | 61.8 | Low | 86.2 | Confident | 232 Ų | 232 | 113.9 Ų | 113.9 | 100% | 1.143 | 60% | 0.597 | S | S | * | * | 0 | 139.8 | 0 | -75 | 170.1 | 67.7 | 0 | 0 | 107.5 | |||||
| 2 | A | 82.6 | Confident | 86.6 | Confident | 96 Ų | 96 | 116.4 Ų | 116.4 | 79% | 0.793 | 60% | 0.599 | S | S | * | * | trans | -96.9 | 148.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | T | 86.6 | Confident | 87 | Confident | 90 Ų | 90 | 112.1 Ų | 112.1 | 55% | 0.552 | 59% | 0.591 | S | S | * | * | trans | -114.8 | 133.7 | 175.7 | -59.8 | 0 | 0 | 0 | 0 | 108.4 | Y5 | T3-Y5 HydrophobicContact CG2-CE1 4.09Š| ||
| 4 | N | 88.6 | Confident | 87.3 | Confident | 115 Ų | 115 | 113.4 Ų | 113.4 | 62% | 0.615 | 59% | 0.59 | S | S | * | * | trans | -94.7 | 136.9 | 172.8 | -60.8 | -31.8 | 0 | 0 | 0 | 108.8 | T28 K29 | N4-T28 HydrophobicContact CB-CG2 3.93Å; N4-T28 WeakPolarHBondContact O-CG2 3.43Å; N4-K29 PolarHBondContact O-N 2.6Å | ||
| 5 | Y | 87.9 | Confident | 87.5 | Confident | 120 Ų | 120 | 108.3 Ų | 108.3 | 47% | 0.471 | 57% | 0.568 | S | S | . | * | B | Isolated β-bridge | trans | -110.2 | 152.8 | 174.1 | -61.1 | -71.3 | 0 | 0 | 0 | 109.3 | T3 A7 K29 I32 | T3-Y5 HydrophobicContact CG2-CE1 4.09Å; Y5-A7 PolarHBondContact O-N 3.11Å; Y5-K29 HydrophobicContact CD1-CB 4.38Å; Y5-K29 HydrophobicContact CD1-CD 4.44Å; Y5-K29 HydrophobicContact CE1-CD 4.17Å; Y5-I32 HydrophobicContact CD1-CD1 3.51Å; Y5-I32 HydrophobicContact CD1-CG1 3.32Å; Y5-I32 HydrophobicContact CD2-CD1 3.88Å; Y5-I32 HydrophobicContact CE1-CD1 3.79Å; Y5-I32 HydrophobicContact CE1-CG1 3.63Å; Y5-I32 HydrophobicContact CE2-CD1 4.15Å; Y5-I32 HydrophobicContact CG-CD1 3.53Å; Y5-I32 HydrophobicContact CG-CG1 3.84Å |
| 6 | S | 88.4 | Confident | 87.7 | Confident | 31 Ų | 31 | 103.9 Ų | 103.9 | 22% | 0.217 | 55% | 0.549 | C | S | . | . | trans | -60 | 136.6 | 179.8 | 72.7 | 0 | 0 | 0 | 0 | 111.5 | N8 E11 K29 E30 | S6-N8 PolarHBondContact O-N 3.05Å; S6-E11 WeakPolarHBondContact CA-OE2 3.45Å; S6-K29 PolarHBondContact N-O 3.22Å; S6-K29 VanDerWaalsContact N-O 3.12Å; S6-E30 VanDerWaalsContact CB-O 3.22Å; S6-E30 WeakPolarHBondContact CB-O 3.5Å; S6-E30 PolarHBondContact OG-O 2.94Å | ||
| 7 | A | 88.9 | Confident | 87.8 | Confident | 41 Ų | 41 | 107.8 Ų | 107.8 | 34% | 0.339 | 56% | 0.56 | S | S | . | * | trans | -88.6 | 21.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y5 Q9 Y10 E11 | Y5-A7 PolarHBondContact O-N 3.11Å; A7-Q9 PolarHBondContact O-N 3.15Å; A7-Y10 PolarHBondContact O-N 3.39Å; A7-E11 PolarHBondContact N-OE2 3.11Å | ||
| 8 | N | 89.6 | Confident | 88.1 | Confident | 131 Ų | 131 | 109.7 Ų | 109.7 | 70% | 0.701 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | 44.7 | -110.1 | -173.3 | -65.7 | -48.2 | 0 | 0 | 0 | 112 | S6 Y10 E11 | S6-N8 PolarHBondContact O-N 3.05Å; N8-Y10 PolarHBondContact O-N 2.84Å; N8-Y10 VanDerWaalsContact O-N 3.16Å; N8-E11 WeakPolarHBondContact O-CB 3.42Å; N8-E11 PolarHBondContact O-N 2.77Å |
| 9 | Q | 91.2 | Very high | 88.4 | Confident | 175 Ų | 175 | 109.5 Ų | 109.5 | 82% | 0.818 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -61.2 | -24.6 | -176.1 | -63.6 | 178.7 | -6.6 | 0 | 0 | 113.6 | A7 | A7-Q9 PolarHBondContact O-N 3.15Š|
| 10 | Y | 91.1 | Very high | 88.6 | Confident | 164 Ų | 164 | 111.6 Ų | 111.6 | 64% | 0.643 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -95.6 | -4.9 | -176.8 | -58.5 | -73 | 0 | 0 | 0 | 114 | A7 N8 K12 A13 F14 | A7-Y10 PolarHBondContact O-N 3.39Å; N8-Y10 PolarHBondContact O-N 2.84Å; N8-Y10 VanDerWaalsContact O-N 3.16Å; Y10-K12 PolarHBondContact O-N 3.02Å; Y10-K12 VanDerWaalsContact O-N 3.11Å; Y10-A13 PolarHBondContact O-N 2.93Å; Y10-F14 WeakPolarHBondContact O-CD2 3.5Å |
| 11 | E | 91.3 | Very high | 88.9 | Confident | 58 Ų | 58 | 109.9 Ų | 109.9 | 27% | 0.271 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -57 | -33.8 | -174.9 | -173 | 63.7 | -160.3 | 0 | 0 | 112.6 | S6 A7 N8 A13 F14 S15 | S6-E11 WeakPolarHBondContact CA-OE2 3.45Å; A7-E11 PolarHBondContact N-OE2 3.11Å; N8-E11 WeakPolarHBondContact O-CB 3.42Å; N8-E11 PolarHBondContact O-N 2.77Å; E11-A13 VanDerWaalsContact C-N 3.29Å; E11-A13 PolarHBondContact O-N 3.33Å; E11-F14 CarbonylContact O-C 3.56Å; E11-F14 PolarHBondContact O-N 3.23Å; E11-S15 PolarHBondContact O-N 3.49Å; E11-S15 VanDerWaalsContact O-N 3.14Å |
| 12 | K | 91.3 | Very high | 90.3 | Very high | 144 Ų | 144 | 109.8 Ų | 109.8 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -54.2 | -43.2 | -176.1 | -174.5 | 174.8 | 178.9 | 178.3 | 0 | 112.8 | Y10 F14 S15 Y18 | Y10-K12 PolarHBondContact O-N 3.02Å; Y10-K12 VanDerWaalsContact O-N 3.11Å; K12-F14 VanDerWaalsContact C-N 3.28Å; K12-F14 PolarHBondContact O-N 2.97Å; K12-S15 WeakPolarHBondContact O-CB 3.46Å; K12-S15 PolarHBondContact O-N 3.48Å; K12-S15 PolarHBondContact O-OG 3.07Å; K12-Y18 WeakPolarHBondContact CE-OH 3.19Å; K12-Y18 HydrophobicContact CG-CE2 4.06Å; K12-Y18 WeakPolarHBondContact O-CD2 3.42Å |
| 13 | A | 92.4 | Very high | 90.7 | Very high | 60 Ų | 60 | 109 Ų | 109 | 50% | 0.496 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.2 | -26.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y10 E11 | Y10-A13 PolarHBondContact O-N 2.93Å; E11-A13 VanDerWaalsContact C-N 3.29Å; E11-A13 PolarHBondContact O-N 3.33Å |
| 14 | F | 90.9 | Very high | 90.9 | Very high | 131 Ų | 131 | 111.1 Ų | 111.1 | 58% | 0.575 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -94.6 | 0.8 | 179.8 | -61.1 | -76.1 | 0 | 0 | 0 | 113.4 | Y10 E11 K12 L19 | Y10-F14 WeakPolarHBondContact O-CD2 3.5Å; E11-F14 CarbonylContact O-C 3.56Å; E11-F14 PolarHBondContact O-N 3.23Å; K12-F14 VanDerWaalsContact C-N 3.28Å; K12-F14 PolarHBondContact O-N 2.97Å; F14-L19 WeakPolarHBondContact O-CD1 3.45Å |
| 15 | S | 89.6 | Confident | 90.8 | Very high | 37 Ų | 37 | 108.2 Ų | 108.2 | 26% | 0.259 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -64 | 144.6 | 174.6 | 68.5 | 0 | 0 | 0 | 0 | 110.7 | E11 K12 K17 Y18 L19 | E11-S15 PolarHBondContact O-N 3.49Å; E11-S15 VanDerWaalsContact O-N 3.14Å; K12-S15 WeakPolarHBondContact O-CB 3.46Å; K12-S15 PolarHBondContact O-N 3.48Å; K12-S15 PolarHBondContact O-OG 3.07Å; S15-K17 PolarHBondContact O-N 3.43Å; S15-Y18 PolarHBondContact O-N 3.31Å; S15-Y18 WeakPolarHBondContact OG-CD2 3.29Å; S15-L19 PolarHBondContact O-N 3.42Å; S15-L19 VanDerWaalsContact O-N 3.13Å |
| 16 | S | 91.1 | Very high | 90.7 | Very high | 37 Ų | 37 | 111 Ų | 111 | 26% | 0.259 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.2 | -35.3 | -172.4 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | L19 Q20 N21 | S16-L19 CarbonylContact O-C 3.56Å; S16-L19 PolarHBondContact O-N 3.05Å; S16-Q20 PolarHBondContact O-N 2.88Å; S16-N21 PolarHBondContact O-N 3.46Å |
| 17 | K | 90.2 | Very high | 90.5 | Very high | 171 Ų | 171 | 115.8 Ų | 115.8 | 74% | 0.743 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -42 | 178.2 | -63.8 | -176.2 | 179.9 | -179 | 0 | 112.5 | S15 Q20 | S15-K17 PolarHBondContact O-N 3.43Å; K17-Q20 PolarHBondContact O-N 3.2Å |
| 18 | Y | 92.7 | Very high | 90.2 | Very high | 142 Ų | 142 | 116.5 Ų | 116.5 | 56% | 0.557 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -31.1 | 179.3 | -79.1 | -96.6 | 0 | 0 | 0 | 111.8 | K12 S15 Q20 | K12-Y18 WeakPolarHBondContact CE-OH 3.19Å; K12-Y18 HydrophobicContact CG-CE2 4.06Å; K12-Y18 WeakPolarHBondContact O-CD2 3.42Å; S15-Y18 PolarHBondContact O-N 3.31Å; S15-Y18 WeakPolarHBondContact OG-CD2 3.29Å; Y18-Q20 PolarHBondContact O-N 3.22Å |
| 19 | L | 93.2 | Very high | 89.8 | Confident | 106 Ų | 106 | 114.9 Ų | 114.9 | 56% | 0.555 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 6.8 | 172.1 | -61.1 | -178.6 | 0 | 0 | 0 | 113.6 | F14 S15 S16 N21 | F14-L19 WeakPolarHBondContact O-CD1 3.45Å; S15-L19 PolarHBondContact O-N 3.42Å; S15-L19 VanDerWaalsContact O-N 3.13Å; S16-L19 CarbonylContact O-C 3.56Å; S16-L19 PolarHBondContact O-N 3.05Å; L19-N21 PolarHBondContact O-N 3.5Å; L19-N21 VanDerWaalsContact O-N 3.14Å |
| 20 | Q | 93.6 | Very high | 89.2 | Confident | 150 Ų | 150 | 114.5 Ų | 114.5 | 70% | 0.701 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.2 | 27.3 | -179.2 | -52 | 177.4 | 10.6 | 0 | 0 | 113.5 | S16 K17 Y18 W22 | S16-Q20 PolarHBondContact O-N 2.88Å; K17-Q20 PolarHBondContact O-N 3.2Å; Y18-Q20 PolarHBondContact O-N 3.22Å; Q20-W22 PolarHBondContact O-N 3.12Å; Q20-W22 PolarHBondContact O-NE1 3.02Å |
| 21 | N | 93.9 | Very high | 88.7 | Confident | 77 Ų | 77 | 110.8 Ų | 110.8 | 41% | 0.412 | 57% | 0.57 | S | S | . | * | trans | -84.4 | 105.8 | 171.7 | -178.6 | 4.4 | 0 | 0 | 0 | 109.5 | S16 L19 S23 | S16-N21 PolarHBondContact O-N 3.46Å; L19-N21 PolarHBondContact O-N 3.5Å; L19-N21 VanDerWaalsContact O-N 3.14Å; N21-S23 VanDerWaalsContact C-N 3.34Å; N21-S23 WeakPolarHBondContact OD1-CB 3.26Å; N21-S23 PolarHBondContact OD1-N 3.39Å | ||
| 22 | W | 90.9 | Very high | 88.4 | Confident | 230 Ų | 230 | 112.5 Ų | 112.5 | 87% | 0.871 | 58% | 0.58 | S | S | * | * | trans | -86.3 | -2.3 | -178.9 | -60.3 | 105.2 | 0 | 0 | 0 | 114.3 | Q20 | Q20-W22 PolarHBondContact O-N 3.12Å; Q20-W22 PolarHBondContact O-NE1 3.02Å | ||
| 23 | S | 91.8 | Very high | 88.2 | Confident | 80 Ų | 80 | 108.6 Ų | 108.6 | 56% | 0.559 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -85.7 | 158.2 | 174.7 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | N21 A25 | N21-S23 VanDerWaalsContact C-N 3.34Å; N21-S23 WeakPolarHBondContact OD1-CB 3.26Å; N21-S23 PolarHBondContact OD1-N 3.39Å; S23-A25 PolarHBondContact O-N 3.44Å |
| 24 | P | 89.6 | Confident | 88.2 | Confident | 134 Ų | 134 | 111.7 Ų | 111.7 | 87% | 0.87 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 116.2 | 170.4 | -25.5 | 34.9 | 0 | 0 | 0 | 111 | ||
| 25 | A | 87.9 | Confident | 88.1 | Confident | 53 Ų | 53 | 113.2 Ų | 113.2 | 44% | 0.438 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -77.6 | 148.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.1 | S23 | S23-A25 PolarHBondContact O-N 3.44Š|
| 26 | K | 85.4 | Confident | 88.4 | Confident | 178 Ų | 178 | 121.2 Ų | 121.2 | 77% | 0.774 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -70 | 138.9 | 170.5 | -66.3 | 179.5 | -178.4 | 176 | 0 | 109 | T28 | K26-T28 PolarHBondContact O-N 2.92Š|
| 27 | P | 83.6 | Confident | 88.6 | Confident | 132 Ų | 132 | 123 Ų | 123 | 86% | 0.857 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 131.5 | 175.1 | 25.2 | -32 | 0 | 0 | 0 | 110.4 | ||
| 28 | T | 83.1 | Confident | 88.8 | Confident | 56 Ų | 56 | 124 Ų | 124 | 34% | 0.344 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -87.7 | 145.8 | 174.8 | -58.2 | 0 | 0 | 0 | 0 | 109.5 | N4 K26 E30 | N4-T28 HydrophobicContact CB-CG2 3.93Å; N4-T28 WeakPolarHBondContact O-CG2 3.43Å; K26-T28 PolarHBondContact O-N 2.92Å; T28-E30 PolarHBondContact O-N 3.44Å |
| 29 | K | 82.1 | Confident | 88.9 | Confident | 98 Ų | 98 | 123.6 Ų | 123.6 | 43% | 0.426 | 67% | 0.668 | S | S | . | * | B | Isolated β-bridge | trans | -79.4 | 119.3 | 176.3 | -159.7 | -173.1 | -173.6 | -138.9 | 0 | 109.5 | N4 Y5 S6 S31 | N4-K29 PolarHBondContact O-N 2.6Å; Y5-K29 HydrophobicContact CD1-CB 4.38Å; Y5-K29 HydrophobicContact CD1-CD 4.44Å; Y5-K29 HydrophobicContact CE1-CD 4.17Å; S6-K29 PolarHBondContact N-O 3.22Å; S6-K29 VanDerWaalsContact N-O 3.12Å; K29-S31 WeakPolarHBondContact CD-O 3.41Å; K29-S31 VanDerWaalsContact CE-O 3.26Å; K29-S31 WeakPolarHBondContact CE-O 3.41Å; K29-S31 PolarHBondContact NZ-O 3.03Å; K29-S31 PolarHBondContact O-N 3.16Å |
| 30 | E | 77.7 | Confident | 88.9 | Confident | 166 Ų | 166 | 125.5 Ų | 125.5 | 78% | 0.776 | 67% | 0.674 | S | S | * | * | trans | -70.4 | -28.5 | -175.8 | -66.4 | -177.9 | -179.3 | 0 | 0 | 113.9 | S6 T28 | S6-E30 VanDerWaalsContact CB-O 3.22Å; S6-E30 WeakPolarHBondContact CB-O 3.5Å; S6-E30 PolarHBondContact OG-O 2.94Å; T28-E30 PolarHBondContact O-N 3.44Å | ||
| 31 | S | 80.3 | Confident | 88.9 | Confident | 87 Ų | 87 | 124.9 Ų | 124.9 | 61% | 0.608 | 67% | 0.674 | S | S | * | * | trans | -149.8 | 147.2 | -179 | -173.6 | 0 | 0 | 0 | 0 | 113.3 | K29 | K29-S31 WeakPolarHBondContact CD-O 3.41Å; K29-S31 VanDerWaalsContact CE-O 3.26Å; K29-S31 WeakPolarHBondContact CE-O 3.41Å; K29-S31 PolarHBondContact NZ-O 3.03Å; K29-S31 PolarHBondContact O-N 3.16Å | ||
| 32 | I | 85.3 | Confident | 89 | Confident | 93 Ų | 93 | 125.5 Ų | 125.5 | 48% | 0.477 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -96 | 131.8 | 173.4 | -46.2 | -178.2 | 0 | 0 | 0 | 107.5 | Y5 | Y5-I32 HydrophobicContact CD1-CD1 3.51Å; Y5-I32 HydrophobicContact CD1-CG1 3.32Å; Y5-I32 HydrophobicContact CD2-CD1 3.88Å; Y5-I32 HydrophobicContact CE1-CD1 3.79Å; Y5-I32 HydrophobicContact CE1-CG1 3.63Å; Y5-I32 HydrophobicContact CE2-CD1 4.15Å; Y5-I32 HydrophobicContact CG-CD1 3.53Å; Y5-I32 HydrophobicContact CG-CG1 3.84Å |
| 33 | S | 87.5 | Confident | 89.2 | Confident | 62 Ų | 62 | 116 Ų | 116 | 43% | 0.434 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -70.8 | 136.3 | 169.9 | 41.7 | 0 | 0 | 0 | 0 | 109.6 | H35 | S33-H35 PolarHBondContact O-CD2 3.44Å; S33-H35 PolarHBondContact O-N 3.03Å; S33-H35 PolarHBondContact O-NE2 2.88Å; S33-H35 PolarHBondContact OG-CE1 2.91Å; S33-H35 PolarHBondContact OG-NE2 3.49Å |
| 34 | S | 90.8 | Very high | 89.4 | Confident | 125 Ų | 125 | 115.2 Ų | 115.2 | 87% | 0.874 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 132.2 | 168.4 | -58.2 | 0 | 0 | 0 | 0 | 109.6 | ||
| 35 | H | 90.4 | Very high | 89.8 | Confident | 163 Ų | 163 | 116.3 Ų | 116.3 | 76% | 0.755 | 64% | 0.635 | S | S | * | * | trans | -118.6 | 132.4 | 175.3 | -67.6 | -76.5 | 0 | 0 | 0 | 108.8 | S33 | S33-H35 PolarHBondContact O-CD2 3.44Å; S33-H35 PolarHBondContact O-N 3.03Å; S33-H35 PolarHBondContact O-NE2 2.88Å; S33-H35 PolarHBondContact OG-CE1 2.91Å; S33-H35 PolarHBondContact OG-NE2 3.49Å | ||
| 36 | E | 94.9 | Very high | 90.2 | Very high | 206 Ų | 206 | 123 Ų | 123 | 96% | 0.963 | 65% | 0.649 | S | S | * | * | trans | -106.4 | 145.3 | 177.5 | -172.1 | 174.6 | -179.8 | 0 | 0 | 110.2 | ||||
| 37 | G | 94.9 | Very high | 90.6 | Very high | 74 Ų | 74 | 117.5 Ų | 117.5 | 76% | 0.763 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 113.3 | -158 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 38 | Y | 94.7 | Very high | 91 | Very high | 193 Ų | 193 | 116.1 Ų | 116.1 | 76% | 0.757 | 63% | 0.625 | S | S | * | * | trans | -115 | 154.9 | -176.4 | 60.5 | -90.3 | 0 | 0 | 0 | 111.9 | Q40 | Y38-Q40 HydrophobicContact CD2-CG 4.32Å; Y38-Q40 HydrophobicContact CE2-CG 3.9Å | ||
| 39 | T | 94.4 | Very high | 91.5 | Very high | 132 Ų | 132 | 116.3 Ų | 116.3 | 81% | 0.81 | 62% | 0.623 | S | S | * | * | trans | -81.7 | 132.9 | 176 | 53.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 40 | Q | 93.6 | Very high | 92.2 | Very high | 146 Ų | 146 | 114.9 Ų | 114.9 | 68% | 0.682 | 62% | 0.62 | S | S | * | * | trans | -92.4 | 140.7 | 174.4 | -65.6 | 179.7 | 5.9 | 0 | 0 | 110.2 | Y38 I42 | Y38-Q40 HydrophobicContact CD2-CG 4.32Å; Y38-Q40 HydrophobicContact CE2-CG 3.9Å; Q40-I42 PolarHBondContact O-N 3.42Å | ||
| 41 | I | 94.9 | Very high | 92.9 | Very high | 137 Ų | 137 | 113.6 Ų | 113.6 | 70% | 0.703 | 63% | 0.626 | S | S | * | * | trans | -76.9 | 115.6 | 177.1 | -54.6 | -56.9 | 0 | 0 | 0 | 109.2 | A43 | I41-A43 VanDerWaalsContact CG2-O 3.29Å; I41-A43 WeakPolarHBondContact CG2-O 3.41Å | ||
| 42 | I | 95 | Very high | 93.4 | Very high | 91 Ų | 91 | 114.4 Ų | 114.4 | 47% | 0.467 | 63% | 0.632 | S | S | . | * | trans | -101.3 | -5.3 | -175.5 | 62.5 | 169 | 0 | 0 | 0 | 114 | Q40 L49 L50 V53 | Q40-I42 PolarHBondContact O-N 3.42Å; I42-L49 HydrophobicContact CD1-CD2 3.98Å; I42-L49 HydrophobicContact CG1-CD2 4.18Å; I42-L49 WeakPolarHBondContact O-CA 3.22Å; I42-L50 PolarHBondContact O-N 3.33Å; I42-V53 HydrophobicContact CB-CG1 4.43Å; I42-V53 HydrophobicContact CB-CG2 3.95Å; I42-V53 HydrophobicContact CG2-CG2 4.24Å | ||
| 43 | A | 96.3 | Very high | 93.8 | Very high | 31 Ų | 31 | 111.8 Ų | 111.8 | 26% | 0.256 | 62% | 0.62 | S | S | . | * | B | Isolated β-bridge | trans | -135 | 158 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I41 H48 | I41-A43 VanDerWaalsContact CG2-O 3.29Å; I41-A43 WeakPolarHBondContact CG2-O 3.41Å; A43-H48 CarbonylContact C-O 3.48Å; A43-H48 WeakPolarHBondContact CA-O 3.31Å; A43-H48 WeakPolarHBondContact CB-O 3.36Å |
| 44 | N | 95.5 | Very high | 94 | Very high | 63 Ų | 63 | 114.9 Ų | 114.9 | 34% | 0.337 | 64% | 0.638 | S | S | . | * | trans | -79.7 | 174.2 | 172.3 | 69.9 | 8.4 | 0 | 0 | 0 | 112.3 | R46 G47 H48 | N44-R46 PolarHBondContact O-N 2.83Å; N44-R46 VanDerWaalsContact O-N 3.15Å; N44-R46 WeakPolarHBondContact OD1-CA 3.28Å; N44-R46 WeakPolarHBondContact OD1-CB 3.12Å; N44-R46 PolarHBondContact OD1-N 3.3Å; N44-R46 VanDerWaalsContact OD1-N 3.11Å; N44-G47 PolarHBondContact O-N 3.14Å; N44-G47 PolarHBondContact OD1-N 3.07Å; N44-H48 PolarHBondContact N-O 3.13Å; N44-H48 WeakPolarHBondContact OD1-CA 3.04Å; N44-H48 WeakPolarHBondContact OD1-CB 3.38Å; N44-H48 PolarHBondContact OD1-N 3.24Å; N44-H48 PolarHBondContact OD1-O 3.14Å | ||
| 45 | D | 96.8 | Very high | 93.9 | Very high | 156 Ų | 156 | 116.5 Ų | 116.5 | 83% | 0.834 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -24.5 | 174.9 | 62.5 | -24.4 | 0 | 0 | 0 | 114.1 | ||
| 46 | R | 96.4 | Very high | 93.7 | Very high | 194 Ų | 194 | 112.7 Ų | 112.7 | 73% | 0.732 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 2.6 | 176.3 | -61.1 | 176.4 | 68 | 178.4 | 2.8 | 113.9 | N44 | N44-R46 PolarHBondContact O-N 2.83Å; N44-R46 VanDerWaalsContact O-N 3.15Å; N44-R46 WeakPolarHBondContact OD1-CA 3.28Å; N44-R46 WeakPolarHBondContact OD1-CB 3.12Å; N44-R46 PolarHBondContact OD1-N 3.3Å; N44-R46 VanDerWaalsContact OD1-N 3.11Å |
| 47 | G | 93.7 | Very high | 93.2 | Very high | 63 Ų | 63 | 113.4 Ų | 113.4 | 65% | 0.649 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 80.1 | 10.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | N44 | N44-G47 PolarHBondContact O-N 3.14Å; N44-G47 PolarHBondContact OD1-N 3.07Å |
| 48 | H | 93.7 | Very high | 92.5 | Very high | 103 Ų | 103 | 113.3 Ų | 113.3 | 48% | 0.477 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -85.1 | 134.3 | 173.3 | -57.5 | 83.5 | 0 | 0 | 0 | 110.6 | A43 N44 | A43-H48 CarbonylContact C-O 3.48Å; A43-H48 WeakPolarHBondContact CA-O 3.31Å; A43-H48 WeakPolarHBondContact CB-O 3.36Å; N44-H48 PolarHBondContact N-O 3.13Å; N44-H48 WeakPolarHBondContact OD1-CA 3.04Å; N44-H48 WeakPolarHBondContact OD1-CB 3.38Å; N44-H48 PolarHBondContact OD1-N 3.24Å; N44-H48 PolarHBondContact OD1-O 3.14Å |
| 49 | L | 93.7 | Very high | 91.8 | Very high | 60 Ų | 60 | 108.4 Ų | 108.4 | 31% | 0.314 | 60% | 0.596 | S | S | . | * | B | Isolated β-bridge | trans | -61.2 | 139.9 | 173.3 | -61.7 | 172.9 | 0 | 0 | 0 | 111.1 | I42 R55 | I42-L49 HydrophobicContact CD1-CD2 3.98Å; I42-L49 HydrophobicContact CG1-CD2 4.18Å; I42-L49 WeakPolarHBondContact O-CA 3.22Å; L49-R55 HydrophobicContact CD1-CG 4.29Å |
| 50 | L | 95.1 | Very high | 91.2 | Very high | 68 Ų | 68 | 107.1 Ų | 107.1 | 36% | 0.356 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 145.9 | 174.5 | -63.8 | 173.9 | 0 | 0 | 0 | 110.6 | I42 S52 V53 | I42-L50 PolarHBondContact O-N 3.33Å; L50-S52 PolarHBondContact O-N 3.01Å; L50-S52 VanDerWaalsContact O-N 3.11Å; L50-V53 HydrophobicContact CB-CG2 4.08Å; L50-V53 PolarHBondContact O-N 3.42Å |
| 51 | P | 92.3 | Very high | 90.5 | Very high | 139 Ų | 139 | 111 Ų | 111 | 90% | 0.903 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -25.5 | -177.4 | -25.4 | 34.3 | 0 | 0 | 0 | 114.8 | V53 | P51-V53 VanDerWaalsContact C-N 3.34Š|
| 52 | S | 91.9 | Very high | 90 | Very high | 104 Ų | 104 | 106.2 Ų | 106.2 | 73% | 0.727 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -19 | 178.2 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | L50 | L50-S52 PolarHBondContact O-N 3.01Å; L50-S52 VanDerWaalsContact O-N 3.11Å |
| 53 | V | 93.9 | Very high | 89.6 | Confident | 37 Ų | 37 | 105 Ų | 105 | 22% | 0.224 | 58% | 0.583 | C | S | . | * | S | Bend | trans | -80.1 | 125.1 | -175.9 | 176.6 | 0 | 0 | 0 | 0 | 109.3 | I42 L50 P51 R55 | I42-V53 HydrophobicContact CB-CG1 4.43Å; I42-V53 HydrophobicContact CB-CG2 3.95Å; I42-V53 HydrophobicContact CG2-CG2 4.24Å; L50-V53 HydrophobicContact CB-CG2 4.08Å; L50-V53 PolarHBondContact O-N 3.42Å; P51-V53 VanDerWaalsContact C-N 3.34Å; V53-R55 PolarHBondContact O-N 3.32Å |
| 54 | P | 91.9 | Very high | 89.2 | Confident | 127 Ų | 127 | 110 Ų | 110 | 83% | 0.825 | 60% | 0.599 | S | S | * | * | trans | -56.4 | 127.2 | 176.8 | -24.5 | 33.6 | 0 | 0 | 0 | 111 | ||||
| 55 | R | 88.4 | Confident | 88.8 | Confident | 159 Ų | 159 | 108.1 Ų | 108.1 | 60% | 0.6 | 59% | 0.589 | S | S | * | * | trans | -117.4 | 144.9 | 176.7 | -169 | -174 | -63 | -162.1 | 1.7 | 109.8 | L49 V53 K57 | L49-R55 HydrophobicContact CD1-CG 4.29Å; V53-R55 PolarHBondContact O-N 3.32Å; R55-K57 PolarHBondContact O-N 3.41Å | ||
| 56 | S | 85.8 | Confident | 88.4 | Confident | 84 Ų | 84 | 101.7 Ų | 101.7 | 59% | 0.587 | 56% | 0.559 | S | S | * | * | trans | -57.9 | 123.2 | 164.1 | 59.3 | 0 | 0 | 0 | 0 | 109.6 | A58 | S56-A58 PolarHBondContact O-N 3.21Š| ||
| 57 | K | 83.6 | Confident | 88.1 | Confident | 221 Ų | 221 | 98.3 Ų | 98.3 | 96% | 0.961 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -68.1 | -16.4 | 170 | -66.3 | -174.9 | 179.1 | -179.7 | 0 | 112.4 | R55 | R55-K57 PolarHBondContact O-N 3.41Š|
| 58 | A | 81.4 | Confident | 87.9 | Confident | 71 Ų | 71 | 107.3 Ų | 107.3 | 59% | 0.587 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -76.5 | 148.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S56 | S56-A58 PolarHBondContact O-N 3.21Š|
| 59 | N | 80.5 | Confident | 87.6 | Confident | 91 Ų | 91 | 108.3 Ų | 108.3 | 49% | 0.487 | 58% | 0.579 | S | S | . | * | trans | -63.4 | 127.4 | 175 | 177.8 | -9.2 | 0 | 0 | 0 | 110.3 | W61 G62 | N59-W61 PolarHBondContact O-N 3.38Å; N59-W61 PolarHBondContact OD1-N 3.12Å; N59-G62 WeakPolarHBondContact CB-O 3.42Å; N59-G62 PolarHBondContact ND2-O 3.11Å; N59-G62 PolarHBondContact O-N 3.16Å | ||
| 60 | P | 81.9 | Confident | 87.4 | Confident | 105 Ų | 105 | 108.1 Ų | 108.1 | 68% | 0.682 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -21.3 | 179.2 | 26.8 | -36.5 | 0 | 0 | 0 | 114 | G62 | P60-G62 VanDerWaalsContact C-N 3.28Š|
| 61 | W | 78.1 | Confident | 87.1 | Confident | 227 Ų | 227 | 106.2 Ų | 106.2 | 86% | 0.86 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 6 | 176 | -59.4 | -72.8 | 0 | 0 | 0 | 113.3 | N59 | N59-W61 PolarHBondContact O-N 3.38Å; N59-W61 PolarHBondContact OD1-N 3.12Å |
| 62 | G | 84.5 | Confident | 86.8 | Confident | 37 Ų | 37 | 108 Ų | 108 | 38% | 0.381 | 57% | 0.57 | S | S | . | * | trans | 89.3 | -169.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N59 P60 | N59-G62 WeakPolarHBondContact CB-O 3.42Å; N59-G62 PolarHBondContact ND2-O 3.11Å; N59-G62 PolarHBondContact O-N 3.16Å; P60-G62 VanDerWaalsContact C-N 3.28Å | ||
| 63 | S | 86.9 | Confident | 86.7 | Confident | 66 Ų | 66 | 110.5 Ų | 110.5 | 46% | 0.462 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -106.8 | 39 | -178 | -168.1 | 0 | 0 | 0 | 0 | 111.9 | M65 A105 S106 | S63-M65 PolarHBondContact O-N 3.15Å; S63-A105 CarbonylContact O-C 3.59Å; S63-A105 WeakPolarHBondContact O-CA 3.36Å; S63-A105 VanDerWaalsContact O-CB 3.31Å; S63-A105 WeakPolarHBondContact O-CB 3.38Å; S63-S106 PolarHBondContact O-N 3.46Å |
| 64 | F | 87.9 | Confident | 86.4 | Confident | 134 Ų | 134 | 112.9 Ų | 112.9 | 59% | 0.588 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 130.7 | 176.6 | -179.5 | -97.7 | 0 | 0 | 0 | 110.1 | S106 N107 | F64-S106 WeakPolarHBondContact CA-OG 3.24Å; F64-S106 PolarHBondContact N-OG 2.83Å; F64-N107 HydrophobicContact CD2-CB 3.95Å; F64-N107 HydrophobicContact CE2-CB 3.89Å |
| 65 | M | 87.4 | Confident | 86.1 | Confident | 25 Ų | 25 | 107 Ų | 107 | 12% | 0.123 | 54% | 0.541 | C | S | . | . | P | Polyproline II helix | trans | -97.4 | 119.6 | 171.7 | -75.1 | -167.5 | 83.9 | 0 | 0 | 110.1 | S63 Q69 D101 L102 A105 N107 | S63-M65 PolarHBondContact O-N 3.15Å; M65-Q69 HydrophobicContact CB-CB 4.48Å; M65-Q69 HydrophobicContact CE-CB 3.68Å; M65-Q69 WeakPolarHBondContact CE-O 3.48Å; M65-D101 HydrophobicContact CE-CB 4.02Å; M65-D101 HydrophobicContact SD-CB 3.82Å; M65-L102 HydrophobicContact SD-CB 4.38Å; M65-A105 HydrophobicContact CB-CB 4.18Å; M65-A105 HydrophobicContact CG-CB 3.62Å; M65-A105 HydrophobicContact SD-CB 3.96Å; M65-N107 PolarHBondContact N-OD1 3.27Å; M65-N107 PolarHBondContact O-ND2 3.25Å |
| 66 | G | 88.2 | Confident | 85.9 | Confident | 20 Ų | 20 | 102.4 Ų | 102.4 | 21% | 0.206 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 164.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W68 Q69 M70 | G66-W68 PolarHBondContact O-N 3.18Å; G66-W68 VanDerWaalsContact O-N 3.16Å; G66-Q69 PolarHBondContact O-N 2.98Å; G66-M70 PolarHBondContact O-N 3.49Å; G66-M70 VanDerWaalsContact O-N 3.12Å |
| 67 | T | 89.3 | Confident | 85.9 | Confident | 124 Ų | 124 | 101.1 Ų | 101.1 | 76% | 0.761 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -40.1 | 179.7 | -50.5 | 0 | 0 | 0 | 0 | 112.8 | Q69 M70 | T67-Q69 VanDerWaalsContact C-N 3.3Å; T67-Q69 PolarHBondContact O-N 3.02Å; T67-M70 PolarHBondContact O-N 3.14Å |
| 68 | W | 89.1 | Confident | 86 | Confident | 251 Ų | 251 | 98.6 Ų | 98.6 | 95% | 0.951 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -20.2 | 179.4 | -58.7 | 114.2 | 0 | 0 | 0 | 114.3 | G66 | G66-W68 PolarHBondContact O-N 3.18Å; G66-W68 VanDerWaalsContact O-N 3.16Å |
| 69 | Q | 88.1 | Confident | 86.1 | Confident | 125 Ų | 125 | 95.4 Ų | 95.4 | 58% | 0.584 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -16.9 | 177.8 | -62.9 | 167.3 | -36.6 | 0 | 0 | 111.3 | M65 G66 T67 | M65-Q69 HydrophobicContact CB-CB 4.48Å; M65-Q69 HydrophobicContact CE-CB 3.68Å; M65-Q69 WeakPolarHBondContact CE-O 3.48Å; G66-Q69 PolarHBondContact O-N 2.98Å; T67-Q69 VanDerWaalsContact C-N 3.3Å; T67-Q69 PolarHBondContact O-N 3.02Å |
| 70 | M | 89 | Confident | 86.2 | Confident | 56 Ų | 56 | 94.5 Ų | 94.5 | 28% | 0.276 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -68.6 | 142.2 | 176.7 | -83.5 | -75.8 | -96.7 | 0 | 0 | 111.3 | G66 T67 I74 L102 | G66-M70 PolarHBondContact O-N 3.49Å; G66-M70 VanDerWaalsContact O-N 3.12Å; T67-M70 PolarHBondContact O-N 3.14Å; M70-I74 HydrophobicContact CE-CD1 3.46Å; M70-I74 VanDerWaalsContact CE-CD1 3.46Å; M70-I74 HydrophobicContact CE-CG1 3.97Å; M70-L102 HydrophobicContact CE-CD1 4.22Å; M70-L102 HydrophobicContact SD-CD1 3.66Å; M70-L102 HydrophobicContact SD-CG 4.34Å |
| 71 | P | 88.1 | Confident | 85.9 | Confident | 27 Ų | 27 | 90.8 Ų | 90.8 | 18% | 0.175 | 46% | 0.455 | C | S | . | . | trans | -68.9 | 146.8 | 176.9 | 29.5 | -32.7 | 0 | 0 | 0 | 110.5 | K73 I74 L102 | P71-K73 PolarHBondContact O-N 3.28Å; P71-K73 VanDerWaalsContact O-N 3.12Å; P71-I74 HydrophobicContact CG-CG1 4.49Å; P71-L102 VanDerWaalsContact CD-CD1 3.45Å; P71-L102 HydrophobicContact CG-CD1 3.43Å; P71-L102 VanDerWaalsContact CG-CD1 3.43Å | ||
| 72 | L | 87.9 | Confident | 85.6 | Confident | 176 Ų | 176 | 85.1 Ų | 85.1 | 92% | 0.921 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -56 | -31.8 | 177.8 | -172.2 | 68.7 | 0 | 0 | 0 | 113.2 | ||
| 73 | K | 88.6 | Confident | 84.6 | Confident | 157 Ų | 157 | 85.9 Ų | 85.9 | 68% | 0.683 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -123.3 | 111.6 | 175.6 | -68 | -174 | -179.9 | -178.4 | 0 | 109.9 | P71 W95 | P71-K73 PolarHBondContact O-N 3.28Å; P71-K73 VanDerWaalsContact O-N 3.12Å; K73-W95 HydrophobicContact CB-CZ2 4.46Å |
| 74 | I | 87.1 | Confident | 83.7 | Confident | 88 Ų | 88 | 95 Ų | 95 | 45% | 0.451 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 132 | 177.9 | -57.2 | 165 | 0 | 0 | 0 | 108.5 | M70 P71 L102 L109 | M70-I74 HydrophobicContact CE-CD1 3.46Å; M70-I74 VanDerWaalsContact CE-CD1 3.46Å; M70-I74 HydrophobicContact CE-CG1 3.97Å; P71-I74 HydrophobicContact CG-CG1 4.49Å; I74-L102 HydrophobicContact CG2-CD1 4.35Å; I74-L109 HydrophobicContact CG2-CD1 4.45Å |
| 75 | P | 85.3 | Confident | 83.3 | Confident | 4 Ų | 4 | 92.6 Ų | 92.6 | 3% | 0.026 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -65 | 151.4 | 175.3 | 18.4 | -20.5 | 0 | 0 | 0 | 111.7 | W95 I96 L102 L109 | P75-W95 HydrophobicContact CB-CD2 4.38Å; P75-W95 HydrophobicContact CB-CE3 4.17Å; P75-W95 HydrophobicContact CB-CH2 4.07Å; P75-W95 HydrophobicContact CB-CZ2 4.21Å; P75-W95 HydrophobicContact CB-CZ3 4.03Å; P75-I96 HydrophobicContact CB-CG1 4.11Å; P75-L102 HydrophobicContact CG-CD2 4.5Å; P75-L109 HydrophobicContact CB-CD2 4.13Å; P75-L109 HydrophobicContact CG-CD2 3.78Å; P75-L109 VanDerWaalsContact O-CD2 3.29Å; P75-L109 WeakPolarHBondContact O-CD2 3.5Å |
| 76 | P | 84.7 | Confident | 83 | Confident | 61 Ų | 61 | 95.5 Ų | 95.5 | 40% | 0.396 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 145.5 | 179.4 | 27.9 | -34.2 | 0 | 0 | 0 | 110.6 | R78 V79 W95 | P76-R78 PolarHBondContact O-N 2.93Å; P76-V79 HydrophobicContact CG-CG2 4.13Å; P76-W95 HydrophobicContact CG-CZ3 4.31Å |
| 77 | A | 85.6 | Confident | 82.9 | Confident | 57 Ų | 57 | 97.9 Ų | 97.9 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -65.4 | -22.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L109 P111 E112 | A77-L109 HydrophobicContact CB-CD1 4.06Å; A77-P111 CarbonylContact O-C 3.37Å; A77-P111 VanDerWaalsContact O-CA 3.22Å; A77-P111 WeakPolarHBondContact O-CA 3.33Å; A77-E112 PolarHBondContact O-N 3.38Å |
| 78 | R | 86.1 | Confident | 82.6 | Confident | 168 Ų | 168 | 93.1 Ų | 93.1 | 63% | 0.634 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130.3 | 176.4 | -60.6 | -178.6 | 74.6 | -153.7 | -1.3 | 109 | P76 E112 | P76-R78 PolarHBondContact O-N 2.93Å; R78-E112 HydrophobicContact CG-CB 4.39Å; R78-E112 IonicContact CZ-OE2 3.67Å; R78-E112 IonicContact NE-OE2 3.15Å; R78-E112 PolarHBondContact NE-OE2 3.21Å; R78-E112 IonicContact NH2-OE2 2.97Å |
| 79 | V | 83.4 | Confident | 82.4 | Confident | 5 Ų | 5 | 81.8 Ų | 81.8 | 3% | 0.03 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 109.4 | -171.5 | 177.6 | 0 | 0 | 0 | 0 | 107.3 | P76 L92 I96 P111 E112 I113 L114 | P76-V79 HydrophobicContact CG-CG2 4.13Å; V79-L92 HydrophobicContact CG1-CD1 4.29Å; V79-L92 HydrophobicContact CG1-CD2 3.32Å; V79-L92 HydrophobicContact CG1-CG 3.57Å; V79-I96 HydrophobicContact CB-CD1 4.1Å; V79-I96 HydrophobicContact CG1-CD1 3.74Å; V79-I96 HydrophobicContact CG2-CD1 3.56Å; V79-I96 HydrophobicContact CG2-CG1 4.37Å; V79-P111 HydrophobicContact CG2-CB 4.12Å; V79-E112 PolarHBondContact N-O 3.44Å; V79-I113 HydrophobicContact CB-CG1 4.4Å; V79-I113 CarbonylContact O-C 3.58Å; V79-I113 WeakPolarHBondContact O-CA 3.47Å; V79-L114 PolarHBondContact O-N 3.02Å |
| 80 | T | 82.9 | Confident | 82.3 | Confident | 72 Ų | 72 | 78.5 Ų | 78.5 | 44% | 0.442 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 120.1 | 175.1 | 53.7 | 0 | 0 | 0 | 0 | 109.6 | T82 L114 | T80-T82 PolarHBondContact O-N 3.05Å; T80-T82 PolarHBondContact OG1-OG1 3.39Å; T80-L114 HydrophobicContact CG2-CB 4.48Å; T80-L114 HydrophobicContact CG2-CD2 4.47Å |
| 81 | L | 76.6 | Confident | 82.2 | Confident | 27 Ų | 27 | 79.5 Ų | 79.5 | 14% | 0.141 | 45% | 0.445 | C | S | . | . | trans | -78.4 | 38.4 | 174.6 | -152.7 | 73 | 0 | 0 | 0 | 112 | S83 A89 T93 L114 P117 | L81-S83 VanDerWaalsContact C-N 3.26Å; L81-S83 PolarHBondContact O-N 3.13Å; L81-A89 HydrophobicContact CD1-CB 3.46Å; L81-A89 VanDerWaalsContact CD1-CB 3.46Å; L81-A89 HydrophobicContact CD2-CB 4.34Å; L81-A89 HydrophobicContact CG-CB 3.73Å; L81-T93 HydrophobicContact CD1-CG2 4.34Å; L81-L114 PolarHBondContact N-O 2.97Å; L81-P117 HydrophobicContact CD2-CB 4.28Å | ||
| 82 | T | 70.4 | Confident | 82.1 | Confident | 108 Ų | 108 | 80.2 Ų | 80.2 | 66% | 0.663 | 45% | 0.447 | S | S | * | . | trans | -89 | 11.3 | -178.7 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | T80 R84 | T80-T82 PolarHBondContact O-N 3.05Å; T80-T82 PolarHBondContact OG1-OG1 3.39Å; T82-R84 PolarHBondContact O-N 2.95Å | ||
| 83 | S | 64.1 | Low | 82 | Confident | 52 Ų | 52 | 73.9 Ų | 73.9 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | trans | -54.4 | 132.4 | 176.1 | -73.7 | 0 | 0 | 0 | 0 | 110.1 | L81 T85 | L81-S83 VanDerWaalsContact C-N 3.26Å; L81-S83 PolarHBondContact O-N 3.13Å; S83-T85 PolarHBondContact O-N 3.03Å | ||
| 84 | R | 68.1 | Low | 82.1 | Confident | 258 Ų | 258 | 74 Ų | 74 | 97% | 0.974 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -62.1 | -12.5 | 178.9 | -63.1 | -176 | 179.7 | -152.8 | 0.4 | 113.1 | T82 | T82-R84 PolarHBondContact O-N 2.95Š|
| 85 | T | 79.4 | Confident | 82.1 | Confident | 84 Ų | 84 | 74.1 Ų | 74.1 | 52% | 0.515 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -130.4 | 146.5 | -178.8 | 64.2 | 0 | 0 | 0 | 0 | 112.1 | S83 A87 G88 A89 | S83-T85 PolarHBondContact O-N 3.03Å; T85-A87 VanDerWaalsContact C-N 3.31Å; T85-A87 PolarHBondContact O-N 3.34Å; T85-G88 PolarHBondContact O-N 3.05Å; T85-G88 PolarHBondContact OG1-N 3.37Å; T85-A89 PolarHBondContact O-N 2.78Å |
| 86 | T | 80.9 | Confident | 82.2 | Confident | 86 Ų | 86 | 74.3 Ų | 74.3 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 175.3 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | G88 A89 A90 H118 | T86-G88 VanDerWaalsContact C-N 3.35Å; T86-G88 PolarHBondContact O-N 2.86Å; T86-A89 PolarHBondContact O-N 3.12Å; T86-A90 PolarHBondContact O-N 3.26Å; T86-H118 HydrophobicContact CG2-CB 4.05Å; T86-H118 WeakPolarHBondContact CG2-CD2 2.91Å |
| 87 | A | 85.4 | Confident | 82.3 | Confident | 70 Ų | 70 | 77.9 Ų | 77.9 | 58% | 0.579 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.5 | -38.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T85 A90 S91 | T85-A87 VanDerWaalsContact C-N 3.31Å; T85-A87 PolarHBondContact O-N 3.34Å; A87-A90 PolarHBondContact O-N 3.24Å; A87-S91 WeakPolarHBondContact O-CB 3.45Å; A87-S91 PolarHBondContact O-N 3.37Å |
| 88 | G | 84.2 | Confident | 82.5 | Confident | 24 Ų | 24 | 82.9 Ų | 82.9 | 25% | 0.247 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T85 T86 A90 S91 L92 | T85-G88 PolarHBondContact O-N 3.05Å; T85-G88 PolarHBondContact OG1-N 3.37Å; T86-G88 VanDerWaalsContact C-N 3.35Å; T86-G88 PolarHBondContact O-N 2.86Å; G88-A90 PolarHBondContact O-N 3.43Å; G88-S91 PolarHBondContact O-N 3Å; G88-L92 PolarHBondContact O-N 3.5Å |
| 89 | A | 84.6 | Confident | 82.5 | Confident | 13 Ų | 13 | 77.3 Ų | 77.3 | 11% | 0.107 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -57.2 | -45.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L81 T85 T86 L92 T93 | L81-A89 HydrophobicContact CD1-CB 3.46Å; L81-A89 VanDerWaalsContact CD1-CB 3.46Å; L81-A89 HydrophobicContact CD2-CB 4.34Å; L81-A89 HydrophobicContact CG-CB 3.73Å; T85-A89 PolarHBondContact O-N 2.78Å; T86-A89 PolarHBondContact O-N 3.12Å; A89-L92 PolarHBondContact O-N 3.36Å; A89-T93 PolarHBondContact O-N 3.27Å; A89-T93 PolarHBondContact O-OG1 2.93Å |
| 90 | A | 86 | Confident | 82.6 | Confident | 55 Ų | 55 | 79.7 Ų | 79.7 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.2 | -35.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T86 A87 G88 L92 T93 K94 | T86-A90 PolarHBondContact O-N 3.26Å; A87-A90 PolarHBondContact O-N 3.24Å; G88-A90 PolarHBondContact O-N 3.43Å; A90-L92 VanDerWaalsContact C-N 3.31Å; A90-L92 PolarHBondContact O-N 2.89Å; A90-T93 WeakPolarHBondContact CA-OG1 3.29Å; A90-T93 PolarHBondContact O-OG1 3.3Å; A90-K94 VanDerWaalsContact O-CB 3.29Å; A90-K94 WeakPolarHBondContact O-CB 3.37Å; A90-K94 PolarHBondContact O-N 3.14Å |
| 91 | S | 87.6 | Confident | 82.8 | Confident | 78 Ų | 78 | 81 Ų | 81 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 174.7 | -171.6 | 0 | 0 | 0 | 0 | 111.4 | A87 G88 K94 W95 | A87-S91 WeakPolarHBondContact O-CB 3.45Å; A87-S91 PolarHBondContact O-N 3.37Å; G88-S91 PolarHBondContact O-N 3Å; S91-K94 PolarHBondContact O-N 3.43Å; S91-W95 PolarHBondContact O-N 3.05Å |
| 92 | L | 84.4 | Confident | 83.3 | Confident | 41 Ų | 41 | 79.8 Ų | 79.8 | 22% | 0.215 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 179.7 | -169.2 | 59.4 | 0 | 0 | 0 | 112 | V79 G88 A89 A90 W95 I96 | V79-L92 HydrophobicContact CG1-CD1 4.29Å; V79-L92 HydrophobicContact CG1-CD2 3.32Å; V79-L92 HydrophobicContact CG1-CG 3.57Å; G88-L92 PolarHBondContact O-N 3.5Å; A89-L92 PolarHBondContact O-N 3.36Å; A90-L92 VanDerWaalsContact C-N 3.31Å; A90-L92 PolarHBondContact O-N 2.89Å; L92-W95 HydrophobicContact CD1-CE3 4.05Å; L92-W95 HydrophobicContact CD1-CZ3 4.45Å; L92-W95 PolarHBondContact O-N 3.31Å; L92-I96 WeakPolarHBondContact O-CD1 3.31Å; L92-I96 WeakPolarHBondContact O-CG1 3.45Å; L92-I96 PolarHBondContact O-N 2.94Å; L92-I96 VanDerWaalsContact O-N 3.14Å |
| 93 | T | 87 | Confident | 84.1 | Confident | 44 Ų | 44 | 77.2 Ų | 77.2 | 27% | 0.27 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 174.4 | 54.5 | 0 | 0 | 0 | 0 | 111.6 | L81 A89 A90 W95 I96 Q97 | L81-T93 HydrophobicContact CD1-CG2 4.34Å; A89-T93 PolarHBondContact O-N 3.27Å; A89-T93 PolarHBondContact O-OG1 2.93Å; A90-T93 WeakPolarHBondContact CA-OG1 3.29Å; A90-T93 PolarHBondContact O-OG1 3.3Å; T93-W95 VanDerWaalsContact C-N 3.33Å; T93-W95 PolarHBondContact O-N 3.17Å; T93-I96 PolarHBondContact O-N 3.45Å; T93-Q97 WeakPolarHBondContact O-CB 3.13Å; T93-Q97 WeakPolarHBondContact O-CG 3.48Å; T93-Q97 PolarHBondContact O-N 3.43Å |
| 94 | K | 89.6 | Confident | 85.2 | Confident | 159 Ų | 159 | 82.1 Ų | 82.1 | 69% | 0.691 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61.3 | -39.7 | 175 | -171.4 | 177.9 | -177.7 | 178.7 | 0 | 112.2 | A90 S91 Q97 K98 | A90-K94 VanDerWaalsContact O-CB 3.29Å; A90-K94 WeakPolarHBondContact O-CB 3.37Å; A90-K94 PolarHBondContact O-N 3.14Å; S91-K94 PolarHBondContact O-N 3.43Å; K94-Q97 PolarHBondContact O-N 3Å; K94-K98 WeakPolarHBondContact O-CB 3.35Å; K94-K98 PolarHBondContact O-N 3.42Å |
| 95 | W | 87.6 | Confident | 86.2 | Confident | 91 Ų | 91 | 70 Ų | 70 | 35% | 0.345 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 177.1 | 178.1 | 44.7 | 0 | 0 | 0 | 112.3 | K73 P75 P76 S91 L92 T93 K98 | K73-W95 HydrophobicContact CB-CZ2 4.46Å; P75-W95 HydrophobicContact CB-CD2 4.38Å; P75-W95 HydrophobicContact CB-CE3 4.17Å; P75-W95 HydrophobicContact CB-CH2 4.07Å; P75-W95 HydrophobicContact CB-CZ2 4.21Å; P75-W95 HydrophobicContact CB-CZ3 4.03Å; P76-W95 HydrophobicContact CG-CZ3 4.31Å; S91-W95 PolarHBondContact O-N 3.05Å; L92-W95 HydrophobicContact CD1-CE3 4.05Å; L92-W95 HydrophobicContact CD1-CZ3 4.45Å; L92-W95 PolarHBondContact O-N 3.31Å; T93-W95 VanDerWaalsContact C-N 3.33Å; T93-W95 PolarHBondContact O-N 3.17Å; W95-K98 VanDerWaalsContact O-CB 3.24Å; W95-K98 WeakPolarHBondContact O-CB 3.09Å; W95-K98 PolarHBondContact O-N 3.49Å |
| 96 | I | 87.2 | Confident | 86.5 | Confident | 7 Ų | 7 | 70.1 Ų | 70.1 | 4% | 0.036 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 175.8 | -66.9 | 159 | 0 | 0 | 0 | 110.7 | P75 V79 L92 T93 K98 L103 P111 | P75-I96 HydrophobicContact CB-CG1 4.11Å; V79-I96 HydrophobicContact CB-CD1 4.1Å; V79-I96 HydrophobicContact CG1-CD1 3.74Å; V79-I96 HydrophobicContact CG2-CD1 3.56Å; V79-I96 HydrophobicContact CG2-CG1 4.37Å; L92-I96 WeakPolarHBondContact O-CD1 3.31Å; L92-I96 WeakPolarHBondContact O-CG1 3.45Å; L92-I96 PolarHBondContact O-N 2.94Å; L92-I96 VanDerWaalsContact O-N 3.14Å; T93-I96 PolarHBondContact O-N 3.45Å; I96-K98 VanDerWaalsContact C-N 3.26Å; I96-K98 PolarHBondContact O-N 3.35Å; I96-L103 HydrophobicContact CG2-CD1 4.41Å; I96-L103 HydrophobicContact CG2-CD2 4.21Å; I96-P111 HydrophobicContact CG2-CG 3.64Å |
| 97 | Q | 87.9 | Confident | 86.7 | Confident | 136 Ų | 136 | 69 Ų | 69 | 64% | 0.636 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -74.1 | -15.2 | -179.1 | -70.3 | 177.6 | -22.6 | 0 | 0 | 113.6 | T93 K94 N99 | T93-Q97 WeakPolarHBondContact O-CB 3.13Å; T93-Q97 WeakPolarHBondContact O-CG 3.48Å; T93-Q97 PolarHBondContact O-N 3.43Å; K94-Q97 PolarHBondContact O-N 3Å; Q97-N99 PolarHBondContact O-N 3.37Å; Q97-N99 VanDerWaalsContact O-N 3.15Å |
| 98 | K | 89.4 | Confident | 86.8 | Confident | 162 Ų | 162 | 66.8 Ų | 66.8 | 70% | 0.704 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -35.8 | -178.9 | -173.3 | 177.9 | 177.9 | -179.3 | 0 | 112.6 | K94 W95 I96 | K94-K98 WeakPolarHBondContact O-CB 3.35Å; K94-K98 PolarHBondContact O-N 3.42Å; W95-K98 VanDerWaalsContact O-CB 3.24Å; W95-K98 WeakPolarHBondContact O-CB 3.09Å; W95-K98 PolarHBondContact O-N 3.49Å; I96-K98 VanDerWaalsContact C-N 3.26Å; I96-K98 PolarHBondContact O-N 3.35Å |
| 99 | N | 84.8 | Confident | 86.9 | Confident | 52 Ų | 52 | 67.1 Ų | 67.1 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | trans | -113.3 | 81.3 | 178.8 | -60.7 | -68.9 | 0 | 0 | 0 | 109.6 | Q97 D101 L102 | Q97-N99 PolarHBondContact O-N 3.37Å; Q97-N99 VanDerWaalsContact O-N 3.15Å; N99-D101 PolarHBondContact O-N 2.89Å; N99-L102 HydrophobicContact CB-CB 4Å; N99-L102 PolarHBondContact O-N 2.93Å | ||
| 100 | S | 86.4 | Confident | 86.9 | Confident | 55 Ų | 55 | 76.6 Ų | 76.6 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.2 | -31.8 | 178.4 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | L102 L103 K104 | S100-L102 VanDerWaalsContact C-N 3.34Å; S100-L103 PolarHBondContact O-N 3.29Å; S100-K104 WeakPolarHBondContact O-CG 3.29Å; S100-K104 PolarHBondContact O-N 3.44Å; S100-K104 VanDerWaalsContact O-N 3.13Å |
| 101 | D | 86.4 | Confident | 86.8 | Confident | 98 Ų | 98 | 75.3 Ų | 75.3 | 52% | 0.524 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.7 | -38.2 | -176.7 | -59 | -18.7 | 0 | 0 | 0 | 110.7 | M65 N99 L103 K104 A105 | M65-D101 HydrophobicContact CE-CB 4.02Å; M65-D101 HydrophobicContact SD-CB 3.82Å; N99-D101 PolarHBondContact O-N 2.89Å; D101-L103 PolarHBondContact O-N 3.25Å; D101-K104 PolarHBondContact O-N 2.92Å; D101-K104 VanDerWaalsContact O-N 3.14Å; D101-A105 VanDerWaalsContact O-CB 3.28Å; D101-A105 WeakPolarHBondContact O-CB 3.46Å; D101-A105 PolarHBondContact O-N 3.28Å |
| 102 | L | 87.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 76.6 Ų | 76.6 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65 | -26.7 | 174.6 | 180 | 148.8 | 0 | 0 | 0 | 112.5 | M65 M70 P71 I74 P75 N99 S100 G108 L109 | M65-L102 HydrophobicContact SD-CB 4.38Å; M70-L102 HydrophobicContact CE-CD1 4.22Å; M70-L102 HydrophobicContact SD-CD1 3.66Å; M70-L102 HydrophobicContact SD-CG 4.34Å; P71-L102 VanDerWaalsContact CD-CD1 3.45Å; P71-L102 HydrophobicContact CG-CD1 3.43Å; P71-L102 VanDerWaalsContact CG-CD1 3.43Å; I74-L102 HydrophobicContact CG2-CD1 4.35Å; P75-L102 HydrophobicContact CG-CD2 4.5Å; N99-L102 HydrophobicContact CB-CB 4Å; N99-L102 PolarHBondContact O-N 2.93Å; S100-L102 VanDerWaalsContact C-N 3.34Å; L102-G108 CarbonylContact O-C 3.59Å; L102-G108 WeakPolarHBondContact O-CA 3.43Å; L102-L109 HydrophobicContact CD2-CB 3.34Å; L102-L109 HydrophobicContact CG-CB 4.43Å; L102-L109 PolarHBondContact O-N 3.48Å |
| 103 | L | 87.3 | Confident | 86.6 | Confident | 55 Ų | 55 | 78.9 Ų | 78.9 | 29% | 0.288 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -81.1 | -28.8 | 175.1 | -60.1 | 178.3 | 0 | 0 | 0 | 112.5 | I96 S100 D101 L109 P111 | I96-L103 HydrophobicContact CG2-CD1 4.41Å; I96-L103 HydrophobicContact CG2-CD2 4.21Å; S100-L103 PolarHBondContact O-N 3.29Å; D101-L103 PolarHBondContact O-N 3.25Å; L103-L109 VanDerWaalsContact CD2-O 3.31Å; L103-L109 WeakPolarHBondContact CD2-O 3.42Å; L103-P111 HydrophobicContact CD2-CG 4.35Å |
| 104 | K | 87.9 | Confident | 86.2 | Confident | 154 Ų | 154 | 81.3 Ų | 81.3 | 67% | 0.67 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -88.4 | -21 | -179.7 | -68.8 | 174.9 | -177.5 | 174.9 | 0 | 112.9 | S100 D101 | S100-K104 WeakPolarHBondContact O-CG 3.29Å; S100-K104 PolarHBondContact O-N 3.44Å; S100-K104 VanDerWaalsContact O-N 3.13Å; D101-K104 PolarHBondContact O-N 2.92Å; D101-K104 VanDerWaalsContact O-N 3.14Å |
| 105 | A | 88.3 | Confident | 85.4 | Confident | 3 Ų | 3 | 75.8 Ų | 75.8 | 3% | 0.025 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -63.2 | 149.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S63 M65 D101 N107 G108 | S63-A105 CarbonylContact O-C 3.59Å; S63-A105 WeakPolarHBondContact O-CA 3.36Å; S63-A105 VanDerWaalsContact O-CB 3.31Å; S63-A105 WeakPolarHBondContact O-CB 3.38Å; M65-A105 HydrophobicContact CB-CB 4.18Å; M65-A105 HydrophobicContact CG-CB 3.62Å; M65-A105 HydrophobicContact SD-CB 3.96Å; D101-A105 VanDerWaalsContact O-CB 3.28Å; D101-A105 WeakPolarHBondContact O-CB 3.46Å; D101-A105 PolarHBondContact O-N 3.28Å; A105-N107 VanDerWaalsContact C-N 3.33Å; A105-N107 PolarHBondContact O-N 3.4Å; A105-G108 WeakPolarHBondContact O-CA 3.22Å; A105-G108 PolarHBondContact O-N 2.89Å |
| 106 | S | 85.4 | Confident | 84.3 | Confident | 87 Ų | 87 | 80.3 Ų | 80.3 | 61% | 0.608 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -36.6 | 177.9 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | S63 F64 G108 | S63-S106 PolarHBondContact O-N 3.46Å; F64-S106 WeakPolarHBondContact CA-OG 3.24Å; F64-S106 PolarHBondContact N-OG 2.83Å; S106-G108 VanDerWaalsContact C-N 3.29Å |
| 107 | N | 86.4 | Confident | 83 | Confident | 63 Ų | 63 | 84.8 Ų | 84.8 | 34% | 0.337 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 15.4 | 169.9 | 64.4 | -44.6 | 0 | 0 | 0 | 112.7 | F64 M65 A105 | F64-N107 HydrophobicContact CD2-CB 3.95Å; F64-N107 HydrophobicContact CE2-CB 3.89Å; M65-N107 PolarHBondContact N-OD1 3.27Å; M65-N107 PolarHBondContact O-ND2 3.25Å; A105-N107 VanDerWaalsContact C-N 3.33Å; A105-N107 PolarHBondContact O-N 3.4Å |
| 108 | G | 86.2 | Confident | 81.5 | Confident | 23 Ų | 23 | 83 Ų | 83 | 24% | 0.237 | 43% | 0.43 | C | S | . | . | trans | -73.4 | 169.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L102 A105 S106 | L102-G108 CarbonylContact O-C 3.59Å; L102-G108 WeakPolarHBondContact O-CA 3.43Å; A105-G108 WeakPolarHBondContact O-CA 3.22Å; A105-G108 PolarHBondContact O-N 2.89Å; S106-G108 VanDerWaalsContact C-N 3.29Å | ||
| 109 | L | 86.1 | Confident | 79.8 | Confident | 32 Ų | 32 | 79.4 Ų | 79.4 | 17% | 0.168 | 42% | 0.418 | C | S | . | . | trans | -85.3 | 137.5 | 175.1 | -166.6 | 89.3 | 0 | 0 | 0 | 110.5 | I74 P75 A77 L102 L103 P111 | I74-L109 HydrophobicContact CG2-CD1 4.45Å; P75-L109 HydrophobicContact CB-CD2 4.13Å; P75-L109 HydrophobicContact CG-CD2 3.78Å; P75-L109 VanDerWaalsContact O-CD2 3.29Å; P75-L109 WeakPolarHBondContact O-CD2 3.5Å; A77-L109 HydrophobicContact CB-CD1 4.06Å; L102-L109 HydrophobicContact CD2-CB 3.34Å; L102-L109 HydrophobicContact CG-CB 4.43Å; L102-L109 PolarHBondContact O-N 3.48Å; L103-L109 VanDerWaalsContact CD2-O 3.31Å; L103-L109 WeakPolarHBondContact CD2-O 3.42Å; L109-P111 HydrophobicContact CD2-CB 4Å; L109-P111 HydrophobicContact CD2-CG 4.14Å | ||
| 110 | R | 85.2 | Confident | 78.4 | Confident | 212 Ų | 212 | 81.6 Ų | 81.6 | 80% | 0.8 | 44% | 0.435 | S | S | * | . | trans | -119.6 | 88.5 | 167 | -65.6 | -177.5 | -174.9 | 167.3 | 2.8 | 109 | E112 | R110-E112 PolarHBondContact O-N 3.2Š| ||
| 111 | P | 84.2 | Confident | 76.8 | Confident | 27 Ų | 27 | 84.1 Ų | 84.1 | 18% | 0.175 | 44% | 0.444 | C | S | . | . | trans | -71.3 | 133.2 | -173.1 | 25 | -29.5 | 0 | 0 | 0 | 111.3 | A77 V79 I96 L103 L109 I113 | A77-P111 CarbonylContact O-C 3.37Å; A77-P111 VanDerWaalsContact O-CA 3.22Å; A77-P111 WeakPolarHBondContact O-CA 3.33Å; V79-P111 HydrophobicContact CG2-CB 4.12Å; I96-P111 HydrophobicContact CG2-CG 3.64Å; L103-P111 HydrophobicContact CD2-CG 4.35Å; L109-P111 HydrophobicContact CD2-CB 4Å; L109-P111 HydrophobicContact CD2-CG 4.14Å; P111-I113 PolarHBondContact O-N 3.23Å | ||
| 112 | E | 85.4 | Confident | 75.2 | Confident | 105 Ų | 105 | 83 Ų | 83 | 49% | 0.491 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 111.1 | 168.6 | -171.7 | -170.6 | -167.8 | 0 | 0 | 108.4 | A77 R78 V79 R110 | A77-E112 PolarHBondContact O-N 3.38Å; R78-E112 HydrophobicContact CG-CB 4.39Å; R78-E112 IonicContact CZ-OE2 3.67Å; R78-E112 IonicContact NE-OE2 3.15Å; R78-E112 PolarHBondContact NE-OE2 3.21Å; R78-E112 IonicContact NH2-OE2 2.97Å; V79-E112 PolarHBondContact N-O 3.44Å; R110-E112 PolarHBondContact O-N 3.2Å |
| 113 | I | 82.2 | Confident | 73.4 | Confident | 89 Ų | 89 | 87.8 Ų | 87.8 | 46% | 0.456 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 109.1 | 178.1 | -55.5 | 174.2 | 0 | 0 | 0 | 108.4 | V79 P111 | V79-I113 HydrophobicContact CB-CG1 4.4Å; V79-I113 CarbonylContact O-C 3.58Å; V79-I113 WeakPolarHBondContact O-CA 3.47Å; P111-I113 PolarHBondContact O-N 3.23Å |
| 114 | L | 78.5 | Confident | 71.6 | Confident | 95 Ų | 95 | 92.6 Ų | 92.6 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 139 | 179.4 | -175.6 | 65.9 | 0 | 0 | 0 | 110.9 | V79 T80 L81 | V79-L114 PolarHBondContact O-N 3.02Å; T80-L114 HydrophobicContact CG2-CB 4.48Å; T80-L114 HydrophobicContact CG2-CD2 4.47Å; L81-L114 PolarHBondContact N-O 2.97Å |
| 115 | G | 72.3 | Confident | 69.7 | Low | 43 Ų | 43 | 93.8 Ų | 93.8 | 44% | 0.443 | 49% | 0.49 | S | S | . | . | S | Bend | trans | 114.8 | 168 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 116 | K | 65.7 | Low | 67.6 | Low | 187 Ų | 187 | 100.2 Ų | 100.2 | 81% | 0.813 | 52% | 0.524 | S | S | * | . | trans | -89.5 | 130.4 | 175.2 | -62.7 | -62.2 | -178.3 | -177.4 | 0 | 109.1 | H118 | K116-H118 PolarHBondContact O-N 3.17Š| ||
| 117 | P | 59.6 | Low | 65.7 | Low | 101 Ų | 101 | 106.5 Ų | 106.5 | 66% | 0.656 | 53% | 0.534 | S | S | * | . | trans | -54.8 | 126.4 | 163.3 | 23.5 | -29.9 | 0 | 0 | 0 | 107.9 | L81 D119 | L81-P117 HydrophobicContact CD2-CB 4.28Å; P117-D119 PolarHBondContact O-N 3.25Å | ||
| 118 | H | 56.8 | Low | 63.9 | Low | 98 Ų | 98 | 112.7 Ų | 112.7 | 45% | 0.454 | 56% | 0.558 | S | S | . | * | trans | -63.4 | 109.4 | 178.6 | -174.2 | 81.7 | 0 | 0 | 0 | 108.5 | T86 K116 P120 | T86-H118 HydrophobicContact CG2-CB 4.05Å; T86-H118 WeakPolarHBondContact CG2-CD2 2.91Å; K116-H118 PolarHBondContact O-N 3.17Å; H118-P120 WeakPolarHBondContact O-CD 3.35Å | ||
| 119 | D | 53.2 | Low | 61.9 | Low | 86 Ų | 86 | 120.4 Ų | 120.4 | 46% | 0.46 | 59% | 0.585 | S | S | . | * | trans | -74.9 | 113.1 | 176.5 | -176.4 | -11.3 | 0 | 0 | 0 | 109.3 | P117 D121 S122 | P117-D119 PolarHBondContact O-N 3.25Å; D119-D121 PolarHBondContact O-N 3.36Å; D119-D121 WeakPolarHBondContact OD1-CB 3.2Å; D119-D121 PolarHBondContact OD1-N 3.33Å; D119-S122 PolarHBondContact O-N 3.01Å | ||
| 120 | P | 54.9 | Low | 59.6 | Low | 99 Ų | 99 | 124.1 Ų | 124.1 | 64% | 0.643 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.6 | -18.6 | -179.5 | 27.7 | -33.9 | 0 | 0 | 0 | 113.3 | H118 | H118-P120 WeakPolarHBondContact O-CD 3.35Å |
| 121 | D | 52.2 | Low | 57.5 | Low | 108 Ų | 108 | 121.2 Ų | 121.2 | 58% | 0.578 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -77.8 | -23 | 178.2 | -108.6 | -44.5 | 0 | 0 | 0 | 113 | D119 Q123 K124 | D119-D121 PolarHBondContact O-N 3.36Å; D119-D121 WeakPolarHBondContact OD1-CB 3.2Å; D119-D121 PolarHBondContact OD1-N 3.33Å; D121-Q123 VanDerWaalsContact C-N 3.28Å; D121-Q123 PolarHBondContact O-N 3.47Å; D121-K124 PolarHBondContact O-N 3.25Å |
| 122 | S | 53.9 | Low | 55.4 | Low | 74 Ų | 74 | 125.8 Ų | 125.8 | 52% | 0.517 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68 | -27.9 | 178 | -69.5 | 0 | 0 | 0 | 0 | 112.6 | D119 | D119-S122 PolarHBondContact O-N 3.01Å |
| 123 | Q | 50 | Low | 53.2 | Low | 103 Ų | 103 | 130 Ų | 130 | 48% | 0.481 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -74.1 | -31.3 | 178 | -74.1 | -104.9 | -30.4 | 0 | 0 | 113.3 | D121 K125 L126 R127 | D121-Q123 VanDerWaalsContact C-N 3.28Å; D121-Q123 PolarHBondContact O-N 3.47Å; Q123-K125 VanDerWaalsContact C-N 3.26Å; Q123-K125 PolarHBondContact O-N 2.92Å; Q123-L126 PolarHBondContact O-N 2.82Å; Q123-R127 PolarHBondContact O-N 2.97Å; Q123-R127 VanDerWaalsContact O-N 3.17Å |
| 124 | K | 50 | Low | 51.1 | Low | 156 Ų | 156 | 131.8 Ų | 131.8 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66.1 | -28 | 176.7 | -82.2 | -178.8 | 179.4 | 172.2 | 0 | 112.4 | D121 | D121-K124 PolarHBondContact O-N 3.25Å |
| 125 | K | 46.9 | Very low | 49.2 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 77% | 0.774 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -77.1 | -32 | 173.7 | -89.8 | -175.3 | 177 | 179.5 | 0 | 113.5 | Q123 | Q123-K125 VanDerWaalsContact C-N 3.26Å; Q123-K125 PolarHBondContact O-N 2.92Å |
| 126 | L | 45.5 | Very low | 47.8 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 73% | 0.728 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -81.9 | -32.7 | -177 | -143.3 | 81 | 0 | 0 | 0 | 113.2 | Q123 K128 K129 | Q123-L126 PolarHBondContact O-N 2.82Å; L126-K128 PolarHBondContact O-N 3.28Å; L126-K129 PolarHBondContact O-N 3.25Å |
| 127 | R | 45.6 | Very low | 46.5 | Very low | 219 Ų | 219 | 140.4 Ų | 140.4 | 83% | 0.826 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -66.9 | -17.2 | 178 | -91.1 | -163.8 | 172.4 | -137.8 | 0.1 | 114.8 | Q123 K129 | Q123-R127 PolarHBondContact O-N 2.97Å; Q123-R127 VanDerWaalsContact O-N 3.17Å; R127-K129 VanDerWaalsContact C-N 3.31Å; R127-K129 PolarHBondContact O-N 3.49Å |
| 128 | K | 47.6 | Very low | 45.2 | Very low | 192 Ų | 192 | 140.4 Ų | 140.4 | 84% | 0.835 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -80.6 | -3.9 | 176.3 | -73.1 | -173 | 177.2 | -175.8 | 0 | 114.4 | L126 | L126-K128 PolarHBondContact O-N 3.28Š|
| 129 | K | 45.1 | Very low | 44.6 | Very low | 185 Ų | 185 | 143.9 Ų | 143.9 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -120 | 9.6 | -175.1 | -75.1 | -171.2 | 176.3 | -174.4 | 0 | 116 | L126 R127 I131 | L126-K129 PolarHBondContact O-N 3.25Å; R127-K129 VanDerWaalsContact C-N 3.31Å; R127-K129 PolarHBondContact O-N 3.49Å; K129-I131 PolarHBondContact O-N 3.17Å |
| 130 | S | 36.8 | Very low | 44.2 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -95.8 | 90 | 173.5 | -167.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 131 | I | 41.5 | Very low | 43.6 | Very low | 151 Ų | 151 | 145.6 Ų | 145.6 | 77% | 0.774 | 76% | 0.758 | S | S | * | * | trans | -66.2 | 133.3 | 162 | -69.9 | 164.3 | 0 | 0 | 0 | 107.8 | K129 K133 | K129-I131 PolarHBondContact O-N 3.17Å; I131-K133 PolarHBondContact O-N 3.32Å | ||
| 132 | T | 40.6 | Very low | 42.8 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -34.6 | 117.4 | 173.8 | -40.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 133 | K | 38.5 | Very low | 42.2 | Very low | 194 Ų | 194 | 150 Ų | 150 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -122.3 | 104.3 | 156.1 | -77.9 | -167.4 | 170.6 | -178.1 | 0 | 108.5 | I131 V135 | I131-K133 PolarHBondContact O-N 3.32Å; K133-V135 PolarHBondContact O-N 3.38Å | ||
| 134 | T | 38.3 | Very low | 42.1 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -58.5 | 118 | 167.1 | -38.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 135 | V | 37.7 | Very low | 41.6 | Very low | 130 Ų | 130 | 150.4 Ų | 150.4 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -99.4 | 115.1 | 168 | 173.2 | 0 | 0 | 0 | 0 | 106.6 | K133 Q137 | K133-V135 PolarHBondContact O-N 3.38Å; V135-Q137 PolarHBondContact O-N 3.08Å | ||
| 136 | Q | 44.3 | Very low | 41.3 | Very low | 183 Ų | 183 | 147.1 Ų | 147.1 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 128.9 | 173 | -75 | 174.7 | -24.6 | 0 | 0 | 109.6 | ||
| 137 | Q | 37.4 | Very low | 41.2 | Very low | 192 Ų | 192 | 146.1 Ų | 146.1 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 119 | -179.7 | -159.2 | 170.5 | 6 | 0 | 0 | 108.8 | V135 | V135-Q137 PolarHBondContact O-N 3.08Š|
| 138 | A | 32.8 | Very low | 41.2 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 130.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | S140 | A138-S140 PolarHBondContact O-N 3.35Š|
| 139 | L | 44.2 | Very low | 40.9 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -79.4 | 106.7 | 177.2 | -76.9 | 155.6 | 0 | 0 | 0 | 110.3 | ||||
| 140 | S | 44 | Very low | 40.5 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | 168.5 | 135.3 | 134.2 | 34.4 | 0 | 0 | 0 | 0 | 112.4 | A138 | A138-S140 PolarHBondContact O-N 3.35Š| ||
| 141 | P | 42.4 | Very low | 40.6 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | trans | -92.8 | 115.3 | 169 | 33.1 | -25 | 0 | 0 | 0 | 110 | I143 | P141-I143 PolarHBondContact O-N 3.15Š| ||
| 142 | T | 34.8 | Very low | 40.4 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -77.5 | 105 | 165.2 | -58.3 | 0 | 0 | 0 | 0 | 108.4 | I144 | T142-I144 PolarHBondContact O-N 2.74Š| ||
| 143 | I | 43.3 | Very low | 40.1 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | trans | -66.2 | 119.4 | 174.5 | -64 | 164.8 | 0 | 0 | 0 | 108.2 | P141 P145 | P141-I143 PolarHBondContact O-N 3.15Å; I143-P145 WeakPolarHBondContact O-CD 3.47Å | ||
| 144 | I | 46 | Very low | 39.9 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -84.9 | 115.9 | 168.5 | -57.2 | 173.6 | 0 | 0 | 0 | 107.1 | T142 S146 | T142-I144 PolarHBondContact O-N 2.74Å; I144-S146 PolarHBondContact O-N 3.05Å | ||
| 145 | P | 40.9 | Very low | 40.1 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -72.3 | 122.2 | 171.2 | 28.3 | -29.7 | 0 | 0 | 0 | 109 | I143 | I143-P145 WeakPolarHBondContact O-CD 3.47Š| ||
| 146 | S | 40.3 | Very low | 40.1 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -86.3 | 137.3 | 167.9 | 36.3 | 0 | 0 | 0 | 0 | 109.2 | I144 | I144-S146 PolarHBondContact O-N 3.05Š| ||
| 147 | S | 42.9 | Very low | 39.9 | Very low | 117 Ų | 117 | 131 Ų | 131 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -178.7 | 159.7 | 157.5 | -82.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 148 | P | 45.2 | Very low | 39.9 | Very low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | cis | -129.1 | 174.8 | -32.8 | 33.1 | -14.8 | 0 | 0 | 0 | 112.1 | ||||
| 149 | A | 42.6 | Very low | 40.1 | Very low | 97 Ų | 97 | 135 Ų | 135 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -58.9 | 130.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 150 | A | 35.4 | Very low | 40 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -107 | 92.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 151 | N | 39.2 | Very low | 39.9 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -76.1 | 111.1 | 152.7 | -95.6 | -62.6 | 0 | 0 | 0 | 106.9 | ||||
| 152 | L | 38.1 | Very low | 40 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -132 | 102.7 | 157.8 | -82.3 | 169.9 | 0 | 0 | 0 | 107.8 | S154 | L152-S154 PolarHBondContact O-N 3.32Š| ||
| 153 | N | 33.5 | Very low | 40.6 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | -57.2 | 123.4 | 158.5 | -70 | -48.4 | 0 | 0 | 0 | 108.9 | ||||
| 154 | S | 35.5 | Very low | 40.8 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -163.4 | 140.5 | 135.3 | -147.9 | 0 | 0 | 0 | 0 | 109.9 | L152 | L152-S154 PolarHBondContact O-N 3.32Š| ||
| 155 | P | 42.7 | Very low | 40.5 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -89.7 | 113 | -177.7 | 32.8 | -24.4 | 0 | 0 | 0 | 109.3 | ||||
| 156 | D | 36.6 | Very low | 40.4 | Very low | 159 Ų | 159 | 128 Ų | 128 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -109.6 | 120.9 | 166.1 | -94.9 | -35.5 | 0 | 0 | 0 | 111.4 | L158 | D156-L158 PolarHBondContact O-N 3.46Š| ||
| 157 | E | 40 | Very low | 40.6 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 64% | 0.64 | 79% | 0.79 | S | S | * | * | trans | -60.3 | 103.8 | -178.5 | -177.4 | 176.5 | -170.3 | 0 | 0 | 111.5 | R159 | E157-R159 HydrophobicContact CG-CG 3.95Å; E157-R159 IonicContact OE1-CZ 3.36Å; E157-R159 IonicContact OE1-NE 2.74Å; E157-R159 PolarHBondContact OE1-NE 3.39Å; E157-R159 IonicContact OE1-NH2 3.73Å; E157-R159 PolarHBondContact OE1-NH2 3.46Å; E157-R159 VanDerWaalsContact OE1-NH2 3.15Å | ||
| 158 | L | 38.4 | Very low | 41 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | -101.7 | 85.2 | 160.5 | -79.3 | 170 | 0 | 0 | 0 | 108.8 | D156 S160 | D156-L158 PolarHBondContact O-N 3.46Å; L158-S160 PolarHBondContact O-N 3.45Å | ||
| 159 | R | 36.2 | Very low | 41.1 | Very low | 204 Ų | 204 | 132.6 Ų | 132.6 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -59.9 | 106.3 | 163.9 | -73.4 | -170.7 | -176.8 | -157.2 | 0.3 | 108.8 | E157 S161 | E157-R159 HydrophobicContact CG-CG 3.95Å; E157-R159 IonicContact OE1-CZ 3.36Å; E157-R159 IonicContact OE1-NE 2.74Å; E157-R159 PolarHBondContact OE1-NE 3.39Å; E157-R159 IonicContact OE1-NH2 3.73Å; E157-R159 PolarHBondContact OE1-NH2 3.46Å; E157-R159 VanDerWaalsContact OE1-NH2 3.15Å; R159-S161 PolarHBondContact O-N 3.41Å | ||
| 160 | S | 43 | Very low | 41.3 | Very low | 90 Ų | 90 | 130.8 Ų | 130.8 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | trans | -67 | 118.7 | 162.3 | 59 | 0 | 0 | 0 | 0 | 109.2 | L158 H162 | L158-S160 PolarHBondContact O-N 3.45Å; S160-H162 PolarHBondContact O-N 3.35Å; S160-H162 VanDerWaalsContact O-N 3.08Å | ||
| 161 | S | 41.2 | Very low | 42.1 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -75.7 | 90.3 | 170.3 | -56.4 | 0 | 0 | 0 | 0 | 109.9 | R159 | R159-S161 PolarHBondContact O-N 3.41Š| ||
| 162 | H | 44.9 | Very low | 42.8 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -100.3 | 121.7 | 162.9 | -78.7 | -68.4 | 0 | 0 | 0 | 109 | S160 S164 | S160-H162 PolarHBondContact O-N 3.35Å; S160-H162 VanDerWaalsContact O-N 3.08Å; H162-S164 PolarHBondContact O-N 3.23Å; H162-S164 VanDerWaalsContact O-N 3.17Å | ||
| 163 | P | 47.7 | Very low | 43.8 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -76.3 | 103.6 | 164.4 | 29 | -28.4 | 0 | 0 | 0 | 108.6 | ||||
| 164 | S | 45.9 | Very low | 45 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -94.7 | 109.1 | 162.7 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | H162 | H162-S164 PolarHBondContact O-N 3.23Å; H162-S164 VanDerWaalsContact O-N 3.17Å | ||
| 165 | A | 40.9 | Very low | 45.7 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | 165.4 | 110.9 | 146.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 166 | G | 37.4 | Very low | 45.8 | Very low | 78 Ų | 78 | 135 Ų | 135 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -132.4 | 66.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 167 | H | 44.8 | Very low | 46.5 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 116.1 | 164.7 | -78.1 | -80.1 | 0 | 0 | 0 | 107.9 | P169 | H167-P169 WeakPolarHBondContact O-CD 3.39Š|
| 168 | T | 51 | Low | 46.8 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 83% | 0.828 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 123.6 | 166.1 | 29.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 169 | P | 47.7 | Very low | 47.2 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 83% | 0.831 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -70 | 131.7 | 165.9 | -14 | 29.2 | 0 | 0 | 0 | 109.6 | H167 | H167-P169 WeakPolarHBondContact O-CD 3.39Š|
| 170 | G | 46.8 | Very low | 47.8 | Very low | 60 Ų | 60 | 130.7 Ų | 130.7 | 62% | 0.619 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 159.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 171 | P | 53.7 | Low | 48.1 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 86% | 0.857 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 132.1 | -175.5 | 26.4 | -32.2 | 0 | 0 | 0 | 112.2 | ||
| 172 | Q | 53.3 | Low | 48.6 | Very low | 192 Ų | 192 | 133.9 Ų | 133.9 | 90% | 0.897 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 134.3 | 171.6 | -71 | -177.7 | -14.1 | 0 | 0 | 110.4 | ||
| 173 | S | 58.4 | Low | 48.8 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 78% | 0.783 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 143.6 | 172.5 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 174 | P | 59.9 | Low | 48.9 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 81% | 0.805 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 136.1 | -178.9 | 28.1 | -31.9 | 0 | 0 | 0 | 111.7 | ||
| 175 | A | 50.1 | Low | 49.1 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 84% | 0.835 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 133.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 176 | K | 44.6 | Very low | 49.8 | Very low | 212 Ų | 212 | 137 Ų | 137 | 92% | 0.922 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 132.9 | 173.1 | -64.1 | 178.6 | 178.7 | -178.6 | 0 | 109.1 | ||
| 177 | S | 49.8 | Very low | 50.9 | Low | 189 Ų | 189 | 142.4 Ų | 142.4 | 100% | 1.322 | 87% | 0.867 | S | S | * | * | trans | -114.7 | 0 | 156.5 | -176 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 177 of 177 residues in 71.7 ms
(Link to these results)