| 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 | Q | 66.9 | Low | 89.4 | Confident | 230 Ų | 230 | 132.5 Ų | 132.5 | 100% | 1.075 | 64% | 0.641 | S | S | * | * | 0 | 147.4 | 0 | -75.3 | -163.3 | 5.9 | 0 | 0 | 109.9 | T3 | Q1-T3 PolarHBondContact O-N 3.31Š| |||
| 2 | P | 83.6 | Confident | 89.7 | Confident | 107 Ų | 107 | 134.8 Ų | 134.8 | 70% | 0.695 | 64% | 0.638 | S | S | * | * | trans | -65.7 | 125.3 | -180 | 24.1 | -30.8 | 0 | 0 | 0 | 111.5 | K4 | P2-K4 VanDerWaalsContact C-N 3.29Å; P2-K4 PolarHBondContact O-N 3.42Å | ||
| 3 | T | 89.4 | Confident | 90 | Very high | 110 Ų | 110 | 130.5 Ų | 130.5 | 68% | 0.675 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -74.8 | -16.2 | -174.4 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | Q1 K5 S6 | Q1-T3 PolarHBondContact O-N 3.31Å; T3-K5 VanDerWaalsContact C-N 3.29Å; T3-K5 PolarHBondContact O-N 3.21Å; T3-S6 WeakPolarHBondContact O-CB 3.45Å; T3-S6 PolarHBondContact O-N 3.46Å; T3-S6 VanDerWaalsContact O-N 3.08Å; T3-S6 PolarHBondContact O-OG 3.15Å |
| 4 | K | 90.6 | Very high | 90.2 | Very high | 184 Ų | 184 | 129.4 Ų | 129.4 | 80% | 0.8 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -57.6 | -36.1 | -176.6 | -176.3 | 176.1 | 178.4 | 178.2 | 0 | 113.6 | P2 | P2-K4 VanDerWaalsContact C-N 3.29Å; P2-K4 PolarHBondContact O-N 3.42Å |
| 5 | K | 92.1 | Very high | 90.3 | Very high | 200 Ų | 200 | 130.1 Ų | 130.1 | 87% | 0.87 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -89.4 | 0.2 | -178.7 | -61.8 | -174.8 | -179.2 | -178.8 | 0 | 113.5 | T3 | T3-K5 VanDerWaalsContact C-N 3.29Å; T3-K5 PolarHBondContact O-N 3.21Å |
| 6 | S | 93.3 | Very high | 90.6 | Very high | 45 Ų | 45 | 124.9 Ų | 124.9 | 32% | 0.315 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -67.8 | 143.4 | 179.7 | 66.8 | 0 | 0 | 0 | 0 | 112 | T3 T8 R9 | T3-S6 WeakPolarHBondContact O-CB 3.45Å; T3-S6 PolarHBondContact O-N 3.46Å; T3-S6 VanDerWaalsContact O-N 3.08Å; T3-S6 PolarHBondContact O-OG 3.15Å; S6-T8 PolarHBondContact O-N 3.31Å; S6-T8 VanDerWaalsContact O-N 3.15Å; S6-R9 PolarHBondContact O-N 3.32Å; S6-R9 VanDerWaalsContact O-N 3.1Å |
| 7 | K | 93.4 | Very high | 90.9 | Very high | 153 Ų | 153 | 122.5 Ų | 122.5 | 67% | 0.665 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -54.6 | -33.4 | 175.2 | -168 | -173.4 | -175.7 | -174 | 0 | 111.8 | R9 K10 L11 | K7-R9 PolarHBondContact O-N 2.99Å; K7-K10 PolarHBondContact O-N 3.27Å; K7-L11 HydrophobicContact CD-CD1 3.9Å; K7-L11 HydrophobicContact CG-CD1 3.78Å; K7-L11 HydrophobicContact CG-CG 4.19Å; K7-L11 PolarHBondContact O-N 3.19Å; K7-L11 VanDerWaalsContact O-N 3.14Å |
| 8 | T | 93.2 | Very high | 91.1 | Very high | 82 Ų | 82 | 118.8 Ų | 118.8 | 50% | 0.503 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -54.8 | -34.9 | 178.7 | -47.9 | 0 | 0 | 0 | 0 | 112.9 | S6 L11 R12 | S6-T8 PolarHBondContact O-N 3.31Å; S6-T8 VanDerWaalsContact O-N 3.15Å; T8-L11 PolarHBondContact O-N 3.08Å; T8-R12 PolarHBondContact O-N 3.14Å |
| 9 | R | 92.3 | Very high | 91.3 | Very high | 131 Ų | 131 | 117.8 Ų | 117.8 | 49% | 0.494 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.7 | -38.7 | 177.9 | -67.2 | -55.9 | -57.6 | -167.9 | -1.1 | 112.5 | S6 K7 R12 | S6-R9 PolarHBondContact O-N 3.32Å; S6-R9 VanDerWaalsContact O-N 3.1Å; K7-R9 PolarHBondContact O-N 2.99Å; R9-R12 VanDerWaalsContact NH1-CZ 3.28Å |
| 10 | K | 93.6 | Very high | 91.4 | Very high | 184 Ų | 184 | 114.1 Ų | 114.1 | 80% | 0.8 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -74.5 | -27.5 | 177.3 | -67 | -171.8 | 177 | -173.4 | 0 | 112.7 | K7 | K7-K10 PolarHBondContact O-N 3.27Å |
| 11 | L | 95.4 | Very high | 91.6 | Very high | 31 Ų | 31 | 118.8 Ų | 118.8 | 16% | 0.162 | 61% | 0.613 | C | S | . | * | H | α-helix | trans | -86.1 | -2.9 | -177.2 | -69.3 | 174.2 | 0 | 0 | 0 | 114.5 | K7 T8 G13 H14 | K7-L11 HydrophobicContact CD-CD1 3.9Å; K7-L11 HydrophobicContact CG-CD1 3.78Å; K7-L11 HydrophobicContact CG-CG 4.19Å; K7-L11 PolarHBondContact O-N 3.19Å; K7-L11 VanDerWaalsContact O-N 3.14Å; T8-L11 PolarHBondContact O-N 3.08Å; L11-G13 PolarHBondContact O-N 3.41Å; L11-H14 VanDerWaalsContact O-CB 3.32Å; L11-H14 WeakPolarHBondContact O-CB 3.36Å; L11-H14 PolarHBondContact O-N 3.39Å |
| 12 | R | 92.2 | Very high | 93 | Very high | 160 Ų | 160 | 114.7 Ų | 114.7 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 132.5 | 173.5 | -71.8 | -171.3 | 174.9 | -158.8 | -3.9 | 109.9 | T8 R9 H14 | T8-R12 PolarHBondContact O-N 3.14Å; R9-R12 VanDerWaalsContact NH1-CZ 3.28Å; R12-H14 VanDerWaalsContact C-N 3.33Å |
| 13 | G | 94.1 | Very high | 93.4 | Very high | 80 Ų | 80 | 112.5 Ų | 112.5 | 83% | 0.825 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.4 | -19.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L11 V15 | L11-G13 PolarHBondContact O-N 3.41Å; G13-V15 PolarHBondContact O-N 2.93Å |
| 14 | H | 92.3 | Very high | 93.7 | Very high | 114 Ų | 114 | 114.5 Ų | 114.5 | 53% | 0.528 | 60% | 0.599 | S | S | . | * | trans | -81.6 | 117.7 | 169 | -66.4 | -92.6 | 0 | 0 | 0 | 110.4 | L11 R12 S16 H17 | L11-H14 VanDerWaalsContact O-CB 3.32Å; L11-H14 WeakPolarHBondContact O-CB 3.36Å; L11-H14 PolarHBondContact O-N 3.39Å; R12-H14 VanDerWaalsContact C-N 3.33Å; H14-S16 VanDerWaalsContact C-N 3.29Å; H14-S16 PolarHBondContact O-N 3.06Å; H14-S16 VanDerWaalsContact O-N 3.11Å; H14-H17 PolarHBondContact O-N 3.4Å; H14-H17 PolarHBondContact O-ND1 3.2Å | ||
| 15 | V | 92.8 | Very high | 94 | Very high | 140 Ų | 140 | 112.4 Ų | 112.4 | 85% | 0.848 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | -39.9 | -172 | -176.6 | 0 | 0 | 0 | 0 | 114.2 | G13 | G13-V15 PolarHBondContact O-N 2.93Š|
| 16 | S | 94.4 | Very high | 94.2 | Very high | 47 Ų | 47 | 112 Ų | 112 | 33% | 0.329 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108 | 2.8 | -174.8 | 66.7 | 0 | 0 | 0 | 0 | 115.5 | H14 G18 H19 G20 | H14-S16 VanDerWaalsContact C-N 3.29Å; H14-S16 PolarHBondContact O-N 3.06Å; H14-S16 VanDerWaalsContact O-N 3.11Å; S16-G18 PolarHBondContact O-N 3.5Å; S16-H19 PolarHBondContact O-N 3.5Å; S16-H19 VanDerWaalsContact O-N 3.09Å; S16-G20 VanDerWaalsContact CB-O 3.24Å; S16-G20 WeakPolarHBondContact CB-O 3.41Å |
| 17 | H | 95.1 | Very high | 94.3 | Very high | 85 Ų | 85 | 118.7 Ų | 118.7 | 39% | 0.394 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 49.9 | 29.4 | -175.4 | -69.6 | 68.7 | 0 | 0 | 0 | 114.3 | H14 | H14-H17 PolarHBondContact O-N 3.4Å; H14-H17 PolarHBondContact O-ND1 3.2Å |
| 18 | G | 94.4 | Very high | 94.4 | Very high | 56 Ų | 56 | 116 Ų | 116 | 58% | 0.577 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.2 | 11.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S16 | S16-G18 PolarHBondContact O-N 3.5Š|
| 19 | H | 94.9 | Very high | 94.5 | Very high | 100 Ų | 100 | 118.2 Ų | 118.2 | 46% | 0.463 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -98.1 | 17.1 | 179.5 | -63.8 | -69.8 | 0 | 0 | 0 | 114.5 | S16 H25 | S16-H19 PolarHBondContact O-N 3.5Å; S16-H19 VanDerWaalsContact O-N 3.09Å; H19-H25 HydrophobicContact CB-CB 3.85Å; H19-H25 AromaticContact CE1-CD2 3.85Å; H19-H25 AromaticContact ND1-CD2 3.94Å |
| 20 | G | 94.8 | Very high | 94.6 | Very high | 43 Ų | 43 | 113 Ų | 113 | 44% | 0.443 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 69 | 177.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S16 | S16-G20 VanDerWaalsContact CB-O 3.24Å; S16-G20 WeakPolarHBondContact CB-O 3.41Å |
| 21 | R | 94.6 | Very high | 94.7 | Very high | 212 Ų | 212 | 106.2 Ų | 106.2 | 80% | 0.8 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -38.2 | 179 | -68.7 | -175.4 | 179.4 | -179.9 | -0.6 | 113.3 | K24 | R21-K24 WeakPolarHBondContact O-CE 3.38Å; R21-K24 WeakPolarHBondContact O-CG 3.47Å |
| 22 | V | 96.2 | Very high | 94.8 | Very high | 144 Ų | 144 | 113.5 Ų | 113.5 | 87% | 0.873 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -63.8 | -171.9 | -178 | 0 | 0 | 0 | 0 | 111.8 | K24 | V22-K24 PolarHBondContact O-N 2.94Š|
| 23 | G | 93.2 | Very high | 95 | Very high | 62 Ų | 62 | 109.5 Ų | 109.5 | 64% | 0.639 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -34.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 24 | K | 95.3 | Very high | 95.1 | Very high | 151 Ų | 151 | 110.7 Ų | 110.7 | 66% | 0.657 | 60% | 0.604 | S | S | * | * | trans | 55.1 | 159.5 | -177.5 | -62.1 | 179.6 | -179.3 | 171.8 | 0 | 114.1 | R21 V22 R26 | R21-K24 WeakPolarHBondContact O-CE 3.38Å; R21-K24 WeakPolarHBondContact O-CG 3.47Å; V22-K24 PolarHBondContact O-N 2.94Å; K24-R26 PolarHBondContact O-N 3.31Å | ||
| 25 | H | 96.6 | Very high | 95.3 | Very high | 140 Ų | 140 | 107.3 Ų | 107.3 | 65% | 0.648 | 60% | 0.596 | S | S | * | * | trans | -78.5 | 118.5 | 171.6 | -176.6 | -103 | 0 | 0 | 0 | 110.2 | H19 | H19-H25 HydrophobicContact CB-CB 3.85Å; H19-H25 AromaticContact CE1-CD2 3.85Å; H19-H25 AromaticContact ND1-CD2 3.94Å | ||
| 26 | R | 95.4 | Very high | 95.5 | Very high | 192 Ų | 192 | 101.3 Ų | 101.3 | 73% | 0.725 | 56% | 0.562 | S | S | * | * | trans | -121.1 | 158.5 | 177.6 | -57.8 | -175.5 | 79.8 | 131.4 | 0.4 | 110.1 | K24 H28 | K24-R26 PolarHBondContact O-N 3.31Å; R26-H28 PolarHBondContact O-N 3.13Å | ||
| 27 | K | 96.2 | Very high | 95.6 | Very high | 186 Ų | 186 | 99.2 Ų | 99.2 | 81% | 0.809 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -58.7 | -51.6 | -167 | -64.1 | -176.7 | -179.3 | 179.4 | 0 | 114.1 | ||
| 28 | H | 96.2 | Very high | 95.7 | Very high | 97 Ų | 97 | 100.6 Ų | 100.6 | 45% | 0.449 | 56% | 0.556 | S | S | . | * | trans | -148.1 | 84.4 | -176.1 | -53.9 | -64.2 | 0 | 0 | 0 | 112.3 | R26 R32 | R26-H28 PolarHBondContact O-N 3.13Å; H28-R32 HydrophobicContact CB-CG 4.35Å; H28-R32 PolarHBondContact CD2-NE 3.37Å; H28-R32 PolarHBondContact NE2-NE 2.79Å; H28-R32 PolarHBondContact NE2-NH2 2.81Å; H28-R32 VanDerWaalsContact NE2-NH2 3.14Å | ||
| 29 | P | 94.4 | Very high | 95.8 | Very high | 128 Ų | 128 | 104.9 Ų | 104.9 | 83% | 0.831 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -30.3 | -176.5 | 27.1 | -34 | 0 | 0 | 0 | 114.1 | ||
| 30 | G | 93.8 | Very high | 95.9 | Very high | 21 Ų | 21 | 105.9 Ų | 105.9 | 22% | 0.216 | 57% | 0.566 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -110.4 | 11.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | H40 H41 | G30-H40 PolarHBondContact O-NE2 2.74Å; G30-H41 PolarHBondContact O-NE2 3.3Å; G30-H41 VanDerWaalsContact O-NE2 3.13Å |
| 31 | G | 96.8 | Very high | 96 | Very high | 41 Ų | 41 | 107.2 Ų | 107.2 | 42% | 0.423 | 56% | 0.561 | S | S | . | * | trans | 92.9 | -178.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 32 | R | 97.1 | Very high | 96.2 | Very high | 185 Ų | 185 | 103.9 Ų | 103.9 | 70% | 0.698 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -106.3 | 137.7 | 179 | -69.8 | -179.2 | 170.9 | 174.2 | 1.2 | 110.1 | H28 A35 | H28-R32 HydrophobicContact CB-CG 4.35Å; H28-R32 PolarHBondContact CD2-NE 3.37Å; H28-R32 PolarHBondContact NE2-NE 2.79Å; H28-R32 PolarHBondContact NE2-NH2 2.81Å; H28-R32 VanDerWaalsContact NE2-NH2 3.14Å; R32-A35 WeakPolarHBondContact O-CB 3.23Å; R32-A35 PolarHBondContact O-N 3.41Å |
| 33 | G | 96.2 | Very high | 96.2 | Very high | 76 Ų | 76 | 103.4 Ų | 103.4 | 78% | 0.784 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | -137.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A35 | G33-A35 PolarHBondContact O-N 2.8Š|
| 34 | N | 95.9 | Very high | 96.4 | Very high | 105 Ų | 105 | 103.9 Ų | 103.9 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 26.3 | -177.1 | -66.3 | -7.7 | 0 | 0 | 0 | 113.4 | F45 Y52 | N34-F45 HydrophobicContact CB-CZ 3.94Å; N34-Y52 PolarHBondContact ND2-OH 3.22Å |
| 35 | A | 97.3 | Very high | 96.5 | Very high | 42 Ų | 42 | 97.4 Ų | 97.4 | 35% | 0.347 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 144.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R32 G33 G37 H41 | R32-A35 WeakPolarHBondContact O-CB 3.23Å; R32-A35 PolarHBondContact O-N 3.41Å; G33-A35 PolarHBondContact O-N 2.8Å; A35-G37 VanDerWaalsContact C-N 3.29Å; A35-G37 PolarHBondContact O-N 3Å; A35-H41 PolarHBondContact O-CD2 3.36Å; A35-H41 VanDerWaalsContact O-CD2 3.29Å |
| 36 | G | 97.1 | Very high | 96.6 | Very high | 14 Ų | 14 | 95.3 Ų | 95.3 | 14% | 0.144 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 14.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | M38 H39 H40 H41 | G36-M38 PolarHBondContact O-N 3.26Å; G36-H39 CarbonylContact O-C 3.49Å; G36-H39 WeakPolarHBondContact O-CA 3.1Å; G36-H39 PolarHBondContact O-N 2.97Å; G36-H40 VanDerWaalsContact CA-CE1 3.45Å; G36-H40 WeakPolarHBondContact CA-CE1 3.47Å; G36-H40 PolarHBondContact O-N 2.86Å; G36-H41 WeakPolarHBondContact O-CA 3.39Å; G36-H41 WeakPolarHBondContact O-CB 3.44Å; G36-H41 PolarHBondContact O-N 3.4Å |
| 37 | G | 96.5 | Very high | 96.7 | Very high | 4 Ų | 4 | 92.7 Ų | 92.7 | 4% | 0.041 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A35 R42 F53 | A35-G37 VanDerWaalsContact C-N 3.29Å; A35-G37 PolarHBondContact O-N 3Å; G37-R42 VanDerWaalsContact O-CA 3.31Å; G37-R42 WeakPolarHBondContact O-CA 3.13Å; G37-F53 WeakPolarHBondContact O-CE2 3.49Å |
| 38 | M | 96.6 | Very high | 96.8 | Very high | 113 Ų | 113 | 90.6 Ų | 90.6 | 56% | 0.557 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -0.3 | 169.3 | -67.6 | -175.5 | 167 | 0 | 0 | 113.5 | G36 F53 | G36-M38 PolarHBondContact O-N 3.26Å; M38-F53 HydrophobicContact CE-CB 3.41Å; M38-F53 VanDerWaalsContact CE-CB 3.41Å; M38-F53 HydrophobicContact CE-CD1 3.36Å; M38-F53 HydrophobicContact CE-CD2 3.91Å; M38-F53 HydrophobicContact CE-CE1 4.04Å; M38-F53 HydrophobicContact CE-CG 3.27Å; M38-F53 HydrophobicContact CG-CD1 4.18Å; M38-F53 HydrophobicContact CG-CD2 3.93Å; M38-F53 HydrophobicContact CG-CE1 3.96Å; M38-F53 HydrophobicContact CG-CE2 3.72Å; M38-F53 HydrophobicContact CG-CG 4.17Å; M38-F53 HydrophobicContact CG-CZ 3.73Å; M38-F53 HydrophobicContact SD-CD1 4.43Å |
| 39 | H | 96.9 | Very high | 96.8 | Very high | 146 Ų | 146 | 90.6 Ų | 90.6 | 68% | 0.676 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.7 | -112.9 | -173.5 | -52.3 | -53 | 0 | 0 | 0 | 109.6 | G36 H41 R42 | G36-H39 CarbonylContact O-C 3.49Å; G36-H39 WeakPolarHBondContact O-CA 3.1Å; G36-H39 PolarHBondContact O-N 2.97Å; H39-H41 PolarHBondContact O-N 3.39Å; H39-R42 WeakPolarHBondContact O-CB 3.48Å; H39-R42 PolarHBondContact O-N 2.96Å; H39-R42 VanDerWaalsContact O-N 3.07Å |
| 40 | H | 97.1 | Very high | 96.9 | Very high | 122 Ų | 122 | 89.4 Ų | 89.4 | 57% | 0.565 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -12.7 | -175.4 | 58.9 | -81.5 | 0 | 0 | 0 | 115 | G30 G36 | G30-H40 PolarHBondContact O-NE2 2.74Å; G36-H40 VanDerWaalsContact CA-CE1 3.45Å; G36-H40 WeakPolarHBondContact CA-CE1 3.47Å; G36-H40 PolarHBondContact O-N 2.86Å |
| 41 | H | 97.6 | Very high | 97 | Very high | 71 Ų | 71 | 92.2 Ų | 92.2 | 33% | 0.329 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 12.2 | 170.7 | -69.9 | -59.7 | 0 | 0 | 0 | 113.4 | G30 A35 G36 H39 I43 N44 F45 | G30-H41 PolarHBondContact O-NE2 3.3Å; G30-H41 VanDerWaalsContact O-NE2 3.13Å; A35-H41 PolarHBondContact O-CD2 3.36Å; A35-H41 VanDerWaalsContact O-CD2 3.29Å; G36-H41 WeakPolarHBondContact O-CA 3.39Å; G36-H41 WeakPolarHBondContact O-CB 3.44Å; G36-H41 PolarHBondContact O-N 3.4Å; H39-H41 PolarHBondContact O-N 3.39Å; H41-I43 VanDerWaalsContact C-N 3.3Å; H41-I43 PolarHBondContact O-N 3.47Å; H41-N44 WeakPolarHBondContact O-CB 2.95Å; H41-N44 PolarHBondContact O-N 2.95Å; H41-F45 HydrophobicContact CB-CD2 4.44Å; H41-F45 PolarHBondContact O-N 3.27Å |
| 42 | R | 97.4 | Very high | 97 | Very high | 142 Ų | 142 | 96.4 Ų | 96.4 | 54% | 0.536 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -52.2 | -46 | -178.6 | -175.9 | -175.5 | 73.2 | -168 | 1 | 112.9 | G37 H39 N44 F45 D46 | G37-R42 VanDerWaalsContact O-CA 3.31Å; G37-R42 WeakPolarHBondContact O-CA 3.13Å; H39-R42 WeakPolarHBondContact O-CB 3.48Å; H39-R42 PolarHBondContact O-N 2.96Å; H39-R42 VanDerWaalsContact O-N 3.07Å; R42-N44 PolarHBondContact O-N 2.88Å; R42-N44 VanDerWaalsContact O-N 3.17Å; R42-F45 PolarHBondContact O-N 3.31Å; R42-F45 VanDerWaalsContact O-N 3.08Å; R42-D46 WeakPolarHBondContact CG-OD2 3.39Å; R42-D46 IonicContact NE-OD2 4Å; R42-D46 WeakPolarHBondContact O-CB 3.37Å; R42-D46 PolarHBondContact O-N 3.19Å |
| 43 | I | 97.6 | Very high | 97 | Very high | 133 Ų | 133 | 91.6 Ų | 91.6 | 68% | 0.682 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -56.3 | -37.7 | -179.8 | -63.8 | 167 | 0 | 0 | 0 | 111.5 | H41 K47 | H41-I43 VanDerWaalsContact C-N 3.3Å; H41-I43 PolarHBondContact O-N 3.47Å; I43-K47 WeakPolarHBondContact O-CB 3.19Å; I43-K47 PolarHBondContact O-N 3.41Å; I43-K47 VanDerWaalsContact O-N 3.11Å |
| 44 | N | 97.1 | Very high | 97 | Very high | 72 Ų | 72 | 91.4 Ų | 91.4 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.5 | -40.9 | 179.2 | -175.4 | 53 | 0 | 0 | 0 | 112.2 | H41 R42 Y48 | H41-N44 WeakPolarHBondContact O-CB 2.95Å; H41-N44 PolarHBondContact O-N 2.95Å; R42-N44 PolarHBondContact O-N 2.88Å; R42-N44 VanDerWaalsContact O-N 3.17Å; N44-Y48 PolarHBondContact O-N 2.97Å; N44-Y48 VanDerWaalsContact O-N 3.15Å; N44-Y48 VanDerWaalsContact OD1-CD2 3.32Å; N44-Y48 WeakPolarHBondContact OD1-CD2 3.42Å |
| 45 | F | 97.7 | Very high | 97.1 | Very high | 16 Ų | 16 | 96.1 Ų | 96.1 | 7% | 0.07 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -71.2 | -46.3 | 178.6 | -84.7 | -91.2 | 0 | 0 | 0 | 111.7 | N34 H41 R42 K47 H49 Y52 F53 | N34-F45 HydrophobicContact CB-CZ 3.94Å; H41-F45 HydrophobicContact CB-CD2 4.44Å; H41-F45 PolarHBondContact O-N 3.27Å; R42-F45 PolarHBondContact O-N 3.31Å; R42-F45 VanDerWaalsContact O-N 3.08Å; F45-K47 VanDerWaalsContact C-N 3.31Å; F45-K47 PolarHBondContact O-N 2.92Å; F45-H49 HydrophobicContact CD1-CB 4.28Å; F45-H49 CarbonylContact O-C 3.37Å; F45-H49 VanDerWaalsContact O-CA 3.24Å; F45-H49 WeakPolarHBondContact O-CA 3.23Å; F45-H49 PolarHBondContact O-N 3.47Å; F45-Y52 AromaticContact CD1-CD1 3.83Å; F45-Y52 HydrophobicContact CD1-CD1 3.83Å; F45-Y52 HydrophobicContact CD1-CE1 4.38Å; F45-Y52 HydrophobicContact CD1-CG 4Å; F45-Y52 AromaticContact CE1-CD1 3.7Å; F45-Y52 HydrophobicContact CE1-CD1 3.7Å; F45-Y52 HydrophobicContact CE1-CD2 4.34Å; F45-Y52 AromaticContact CE1-CE1 3.8Å; F45-Y52 HydrophobicContact CE1-CE1 3.8Å; F45-Y52 HydrophobicContact CE1-CE2 4.41Å; F45-Y52 AromaticContact CE1-CG 3.99Å; F45-Y52 HydrophobicContact CE1-CG 3.99Å; F45-F53 HydrophobicContact CB-CE2 3.97Å; F45-F53 AromaticContact CD1-CE2 3.88Å; F45-F53 HydrophobicContact CD1-CE2 3.88Å; F45-F53 HydrophobicContact CD1-CZ 4.04Å; F45-F53 HydrophobicContact CE1-CZ 4.37Å; F45-F53 AromaticContact CG-CE2 3.96Å; F45-F53 HydrophobicContact CG-CE2 3.96Å; F45-F53 HydrophobicContact CG-CZ 4.29Å |
| 46 | D | 96.9 | Very high | 97 | Very high | 95 Ų | 95 | 101.3 Ų | 101.3 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -37.8 | -179.7 | -67.5 | -6.3 | 0 | 0 | 0 | 111.6 | R42 | R42-D46 WeakPolarHBondContact CG-OD2 3.39Å; R42-D46 IonicContact NE-OD2 4Å; R42-D46 WeakPolarHBondContact O-CB 3.37Å; R42-D46 PolarHBondContact O-N 3.19Å |
| 47 | K | 97.8 | Very high | 97 | Very high | 137 Ų | 137 | 104.2 Ų | 104.2 | 60% | 0.596 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -76.4 | -45.9 | -177 | -175.1 | 173.7 | 179.6 | -178.6 | 0 | 113.4 | I43 F45 | I43-K47 WeakPolarHBondContact O-CB 3.19Å; I43-K47 PolarHBondContact O-N 3.41Å; I43-K47 VanDerWaalsContact O-N 3.11Å; F45-K47 VanDerWaalsContact C-N 3.31Å; F45-K47 PolarHBondContact O-N 2.92Å |
| 48 | Y | 97.9 | Very high | 97.1 | Very high | 143 Ų | 143 | 113.1 Ų | 113.1 | 56% | 0.561 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -109.9 | -17.9 | -169.4 | -59.6 | -66.9 | 0 | 0 | 0 | 113.9 | N44 | N44-Y48 PolarHBondContact O-N 2.97Å; N44-Y48 VanDerWaalsContact O-N 3.15Å; N44-Y48 VanDerWaalsContact OD1-CD2 3.32Å; N44-Y48 WeakPolarHBondContact OD1-CD2 3.42Å |
| 49 | H | 97.4 | Very high | 97.1 | Very high | 96 Ų | 96 | 116.6 Ų | 116.6 | 44% | 0.444 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -130.8 | 53.1 | -177 | -52.1 | 89.7 | 0 | 0 | 0 | 111.7 | F45 G51 Y52 | F45-H49 HydrophobicContact CD1-CB 4.28Å; F45-H49 CarbonylContact O-C 3.37Å; F45-H49 VanDerWaalsContact O-CA 3.24Å; F45-H49 WeakPolarHBondContact O-CA 3.23Å; F45-H49 PolarHBondContact O-N 3.47Å; H49-G51 PolarHBondContact O-N 2.92Å; H49-Y52 VanDerWaalsContact O-CB 3.3Å; H49-Y52 WeakPolarHBondContact O-CB 3.45Å; H49-Y52 PolarHBondContact O-N 2.88Å |
| 50 | P | 96.8 | Very high | 97 | Very high | 104 Ų | 104 | 115.8 Ų | 115.8 | 68% | 0.675 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 138.4 | 178.9 | 28.5 | -35.4 | 0 | 0 | 0 | 110.5 | Y52 | P50-Y52 VanDerWaalsContact C-N 3.33Š|
| 51 | G | 95.9 | Very high | 97 | Very high | 79 Ų | 79 | 118.2 Ų | 118.2 | 81% | 0.814 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.5 | 5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | H49 F53 | H49-G51 PolarHBondContact O-N 2.92Å; G51-F53 VanDerWaalsContact C-N 3.28Å; G51-F53 PolarHBondContact O-N 3.38Å |
| 52 | Y | 97 | Very high | 97 | Very high | 129 Ų | 129 | 122.3 Ų | 122.3 | 51% | 0.506 | 62% | 0.624 | S | S | . | * | trans | -62.1 | -36.5 | 174.7 | -176.3 | -91.5 | 0 | 0 | 0 | 112.5 | N34 F45 H49 P50 | N34-Y52 PolarHBondContact ND2-OH 3.22Å; F45-Y52 AromaticContact CD1-CD1 3.83Å; F45-Y52 HydrophobicContact CD1-CD1 3.83Å; F45-Y52 HydrophobicContact CD1-CE1 4.38Å; F45-Y52 HydrophobicContact CD1-CG 4Å; F45-Y52 AromaticContact CE1-CD1 3.7Å; F45-Y52 HydrophobicContact CE1-CD1 3.7Å; F45-Y52 HydrophobicContact CE1-CD2 4.34Å; F45-Y52 AromaticContact CE1-CE1 3.8Å; F45-Y52 HydrophobicContact CE1-CE1 3.8Å; F45-Y52 HydrophobicContact CE1-CE2 4.41Å; F45-Y52 AromaticContact CE1-CG 3.99Å; F45-Y52 HydrophobicContact CE1-CG 3.99Å; H49-Y52 VanDerWaalsContact O-CB 3.3Å; H49-Y52 WeakPolarHBondContact O-CB 3.45Å; H49-Y52 PolarHBondContact O-N 2.88Å; P50-Y52 VanDerWaalsContact C-N 3.33Å | ||
| 53 | F | 97.1 | Very high | 96.9 | Very high | 84 Ų | 84 | 120.2 Ų | 120.2 | 37% | 0.368 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -97.8 | 131.5 | 177.5 | -59.6 | -67.4 | 0 | 0 | 0 | 111.3 | G37 M38 F45 G51 | G37-F53 WeakPolarHBondContact O-CE2 3.49Å; M38-F53 HydrophobicContact CE-CB 3.41Å; M38-F53 VanDerWaalsContact CE-CB 3.41Å; M38-F53 HydrophobicContact CE-CD1 3.36Å; M38-F53 HydrophobicContact CE-CD2 3.91Å; M38-F53 HydrophobicContact CE-CE1 4.04Å; M38-F53 HydrophobicContact CE-CG 3.27Å; M38-F53 HydrophobicContact CG-CD1 4.18Å; M38-F53 HydrophobicContact CG-CD2 3.93Å; M38-F53 HydrophobicContact CG-CE1 3.96Å; M38-F53 HydrophobicContact CG-CE2 3.72Å; M38-F53 HydrophobicContact CG-CG 4.17Å; M38-F53 HydrophobicContact CG-CZ 3.73Å; M38-F53 HydrophobicContact SD-CD1 4.43Å; F45-F53 HydrophobicContact CB-CE2 3.97Å; F45-F53 AromaticContact CD1-CE2 3.88Å; F45-F53 HydrophobicContact CD1-CE2 3.88Å; F45-F53 HydrophobicContact CD1-CZ 4.04Å; F45-F53 HydrophobicContact CE1-CZ 4.37Å; F45-F53 AromaticContact CG-CE2 3.96Å; F45-F53 HydrophobicContact CG-CE2 3.96Å; F45-F53 HydrophobicContact CG-CZ 4.29Å; G51-F53 VanDerWaalsContact C-N 3.28Å; G51-F53 PolarHBondContact O-N 3.38Å |
| 54 | G | 95.8 | Very high | 96.9 | Very high | 72 Ų | 72 | 119.8 Ų | 119.8 | 74% | 0.742 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 135 | 179.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 55 | K | 97.3 | Very high | 96.8 | Very high | 205 Ų | 205 | 125.4 Ų | 125.4 | 89% | 0.891 | 63% | 0.632 | S | S | * | * | trans | -127.5 | 136 | 171.1 | -70.5 | -179.1 | -178.5 | 172.1 | 0 | 108.6 | ||||
| 56 | V | 96.4 | Very high | 96.6 | Very high | 151 Ų | 151 | 131.6 Ų | 131.6 | 92% | 0.915 | 67% | 0.666 | S | S | * | * | trans | -139 | 145.1 | -179.9 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 57 | G | 96.6 | Very high | 96.5 | Very high | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 79 | -174.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 58 | M | 97.6 | Very high | 96.3 | Very high | 191 Ų | 191 | 130.7 Ų | 130.7 | 94% | 0.941 | 68% | 0.679 | S | S | * | * | trans | -100.9 | 144.4 | -179.2 | -64 | 174.9 | 71.1 | 0 | 0 | 111.1 | ||||
| 59 | R | 96.4 | Very high | 96.1 | Very high | 186 Ų | 186 | 129.9 Ų | 129.9 | 70% | 0.702 | 68% | 0.676 | S | S | * | * | trans | -81.7 | 121.8 | 178.4 | -174.2 | -178.2 | -73.4 | 175 | -3.8 | 110.8 | Y61 | R59-Y61 VanDerWaalsContact CD-OH 3.28Å; R59-Y61 WeakPolarHBondContact CD-OH 3.49Å; R59-Y61 HydrophobicContact CG-CD1 4.43Å; R59-Y61 HydrophobicContact CG-CE1 4.11Å; R59-Y61 HydrophobicContact CG-CE2 4.26Å; R59-Y61 PolarHBondContact NH1-OH 2.81Å | ||
| 60 | H | 96.4 | Very high | 96 | Very high | 130 Ų | 130 | 127.8 Ų | 127.8 | 60% | 0.602 | 67% | 0.671 | S | S | * | * | trans | -95.8 | 103.1 | 173.6 | -170.6 | -72.6 | 0 | 0 | 0 | 110.8 | L63 | H60-L63 WeakPolarHBondContact ND1-CA 3.34Å; H60-L63 WeakPolarHBondContact ND1-CD1 3.33Å | ||
| 61 | Y | 97 | Very high | 96.1 | Very high | 173 Ų | 173 | 124.1 Ų | 124.1 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -73.7 | 147.1 | 176.1 | -64.9 | -75.9 | 0 | 0 | 0 | 111.4 | R59 L63 | R59-Y61 VanDerWaalsContact CD-OH 3.28Å; R59-Y61 WeakPolarHBondContact CD-OH 3.49Å; R59-Y61 HydrophobicContact CG-CD1 4.43Å; R59-Y61 HydrophobicContact CG-CE1 4.11Å; R59-Y61 HydrophobicContact CG-CE2 4.26Å; R59-Y61 PolarHBondContact NH1-OH 2.81Å; Y61-L63 PolarHBondContact O-N 2.86Å |
| 62 | H | 96.6 | Very high | 96.1 | Very high | 156 Ų | 156 | 123.7 Ų | 123.7 | 72% | 0.722 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 46.9 | 55.9 | 177 | -168.9 | -143.1 | 0 | 0 | 0 | 113.7 | K64 | H62-K64 WeakPolarHBondContact CE1-CE 3.42Å; H62-K64 PolarHBondContact O-N 3.28Å; H62-K64 VanDerWaalsContact O-N 3.09Å |
| 63 | L | 95.8 | Very high | 96.2 | Very high | 99 Ų | 99 | 117.8 Ų | 117.8 | 52% | 0.518 | 61% | 0.607 | S | S | . | * | trans | -62.2 | 110.9 | -178 | 179.6 | 64.9 | 0 | 0 | 0 | 112.3 | H60 Y61 R65 | H60-L63 WeakPolarHBondContact ND1-CA 3.34Å; H60-L63 WeakPolarHBondContact ND1-CD1 3.33Å; Y61-L63 PolarHBondContact O-N 2.86Å; L63-R65 HydrophobicContact CD2-CG 4.42Å; L63-R65 HydrophobicContact CG-CG 4.39Å | ||
| 64 | K | 96.9 | Very high | 96.2 | Very high | 124 Ų | 124 | 115.8 Ų | 115.8 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | trans | -94.3 | 99.2 | 171.9 | -64.6 | -177 | -177.6 | -179.2 | 0 | 110.4 | H62 N66 T67 | H62-K64 WeakPolarHBondContact CE1-CE 3.42Å; H62-K64 PolarHBondContact O-N 3.28Å; H62-K64 VanDerWaalsContact O-N 3.09Å; K64-N66 PolarHBondContact O-N 3.31Å; K64-T67 PolarHBondContact O-N 2.96Å | ||
| 65 | R | 94.9 | Very high | 96.1 | Very high | 190 Ų | 190 | 112.4 Ų | 112.4 | 72% | 0.717 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -23.8 | -177.6 | -68 | -174.7 | 176.5 | -179.6 | -0.5 | 114.2 | L63 T67 S68 Y69 | L63-R65 HydrophobicContact CD2-CG 4.42Å; L63-R65 HydrophobicContact CG-CG 4.39Å; R65-T67 VanDerWaalsContact C-N 3.3Å; R65-T67 PolarHBondContact O-N 3.42Å; R65-S68 PolarHBondContact O-N 3.16Å; R65-S68 PolarHBondContact O-OG 3.4Å; R65-Y69 PolarHBondContact O-N 3.34Å |
| 66 | N | 94.9 | Very high | 95.9 | Very high | 146 Ų | 146 | 106.2 Ų | 106.2 | 78% | 0.781 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -30 | 179.4 | -62.9 | -8.4 | 0 | 0 | 0 | 112.1 | K64 Y69 | K64-N66 PolarHBondContact O-N 3.31Å; N66-Y69 VanDerWaalsContact O-CB 3.31Å; N66-Y69 WeakPolarHBondContact O-CB 3.05Å; N66-Y69 PolarHBondContact O-N 3.13Å |
| 67 | T | 93.8 | Very high | 95.8 | Very high | 124 Ų | 124 | 105 Ų | 105 | 76% | 0.761 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -33.5 | -179.9 | -51.8 | 0 | 0 | 0 | 0 | 112.1 | K64 R65 Y69 | K64-T67 PolarHBondContact O-N 2.96Å; R65-T67 VanDerWaalsContact C-N 3.3Å; R65-T67 PolarHBondContact O-N 3.42Å; T67-Y69 VanDerWaalsContact C-N 3.35Å |
| 68 | S | 93.4 | Very high | 95.6 | Very high | 88 Ų | 88 | 101.5 Ų | 101.5 | 62% | 0.615 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 9.2 | 175.8 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | R65 C70 | R65-S68 PolarHBondContact O-N 3.16Å; R65-S68 PolarHBondContact O-OG 3.4Å; S68-C70 PolarHBondContact O-N 2.8Å; S68-C70 VanDerWaalsContact O-N 3.12Å |
| 69 | Y | 94.8 | Very high | 95.4 | Very high | 126 Ų | 126 | 93.2 Ų | 93.2 | 49% | 0.494 | 45% | 0.446 | S | S | . | . | trans | -68.5 | 110.2 | -179.9 | -172.8 | -103.6 | 0 | 0 | 0 | 110.4 | R65 N66 T67 P71 Y109 | R65-Y69 PolarHBondContact O-N 3.34Å; N66-Y69 VanDerWaalsContact O-CB 3.31Å; N66-Y69 WeakPolarHBondContact O-CB 3.05Å; N66-Y69 PolarHBondContact O-N 3.13Å; T67-Y69 VanDerWaalsContact C-N 3.35Å; Y69-P71 HydrophobicContact CD1-CG 4.01Å; Y69-P71 HydrophobicContact CD2-CG 4.32Å; Y69-P71 VanDerWaalsContact CE1-CD 3.43Å; Y69-P71 HydrophobicContact CE1-CG 3.34Å; Y69-P71 HydrophobicContact CE2-CG 3.7Å; Y69-P71 HydrophobicContact CG-CG 4.46Å; Y69-P71 VanDerWaalsContact OH-CG 3.28Å; Y69-P71 WeakPolarHBondContact OH-CG 3.47Å; Y69-Y109 HydrophobicContact CD1-CD2 4.29Å; Y69-Y109 AromaticContact CD1-CE2 3.68Å; Y69-Y109 HydrophobicContact CD1-CE2 3.68Å; Y69-Y109 AromaticContact CD1-CZ 3.91Å; Y69-Y109 HydrophobicContact CE1-CE2 4.28Å; Y69-Y109 VanDerWaalsContact O-CD2 3.23Å; Y69-Y109 WeakPolarHBondContact O-CD2 3.47Å; Y69-Y109 WeakPolarHBondContact O-CE2 3.34Å | ||
| 70 | C | 95.8 | Very high | 95.2 | Very high | 52 Ų | 52 | 89.4 Ų | 89.4 | 35% | 0.351 | 44% | 0.443 | S | S | . | . | trans | -146.6 | 74.9 | 179 | -170 | 0 | 0 | 0 | 0 | 110.9 | S68 | S68-C70 PolarHBondContact O-N 2.8Å; S68-C70 VanDerWaalsContact O-N 3.12Å | ||
| 71 | P | 97.1 | Very high | 95 | Very high | 28 Ų | 28 | 85.8 Ų | 85.8 | 18% | 0.182 | 43% | 0.428 | C | S | . | . | trans | -63.4 | 142.1 | 174.9 | -17.8 | 31.3 | 0 | 0 | 0 | 110.4 | Y69 G107 Y108 Y109 K110 | Y69-P71 HydrophobicContact CD1-CG 4.01Å; Y69-P71 HydrophobicContact CD2-CG 4.32Å; Y69-P71 VanDerWaalsContact CE1-CD 3.43Å; Y69-P71 HydrophobicContact CE1-CG 3.34Å; Y69-P71 HydrophobicContact CE2-CG 3.7Å; Y69-P71 HydrophobicContact CG-CG 4.46Å; Y69-P71 VanDerWaalsContact OH-CG 3.28Å; Y69-P71 WeakPolarHBondContact OH-CG 3.47Å; P71-G107 WeakPolarHBondContact CB-O 3.25Å; P71-G107 WeakPolarHBondContact CG-O 3.47Å; P71-Y108 HydrophobicContact CB-CD1 4.12Å; P71-Y109 PolarHBondContact O-N 3.4Å; P71-K110 PolarHBondContact O-N 2.83Å; P71-K110 VanDerWaalsContact O-N 3.16Å | ||
| 72 | T | 97.5 | Very high | 94.7 | Very high | 69 Ų | 69 | 79.2 Ų | 79.2 | 42% | 0.423 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 145.3 | -173.6 | 67.5 | 0 | 0 | 0 | 0 | 111.8 | Y108 K110 L112 | T72-Y108 WeakPolarHBondContact O-CD1 3.23Å; T72-K110 CarbonylContact C-O 3.56Å; T72-K110 VanDerWaalsContact CA-O 3.24Å; T72-K110 WeakPolarHBondContact CA-O 3.41Å; T72-K110 HydrophobicContact CG2-CB 4.12Å; T72-L112 HydrophobicContact CG2-CD1 4.19Å |
| 73 | I | 97.4 | Very high | 94.3 | Very high | 6 Ų | 6 | 74.8 Ų | 74.8 | 3% | 0.031 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 147.7 | 170.8 | -168.7 | 171.1 | 0 | 0 | 0 | 109.5 | K77 L81 A103 Y108 K110 V111 L112 | I73-K77 HydrophobicContact CD1-CB 4.39Å; I73-K77 HydrophobicContact CG1-CB 4.21Å; I73-L81 HydrophobicContact CD1-CD1 3.63Å; I73-L81 HydrophobicContact CD1-CD2 3.96Å; I73-L81 HydrophobicContact CD1-CG 3.8Å; I73-A103 HydrophobicContact CG2-CB 4.48Å; I73-Y108 HydrophobicContact CB-CD1 3.85Å; I73-Y108 HydrophobicContact CB-CD2 4.19Å; I73-Y108 HydrophobicContact CB-CE1 4.27Å; I73-Y108 HydrophobicContact CB-CG 3.8Å; I73-Y108 HydrophobicContact CD1-CD2 4.06Å; I73-Y108 HydrophobicContact CD1-CE2 4.03Å; I73-Y108 HydrophobicContact CG2-CG 4.11Å; I73-K110 PolarHBondContact N-O 3.44Å; I73-V111 HydrophobicContact CG2-CG2 3.89Å; I73-V111 CarbonylContact O-C 3.44Å; I73-V111 WeakPolarHBondContact O-CA 3.42Å; I73-L112 PolarHBondContact O-N 3.45Å |
| 74 | N | 97.4 | Very high | 93.9 | Very high | 42 Ų | 42 | 77.4 Ų | 77.4 | 23% | 0.225 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 159.1 | 177.2 | -72.8 | -73.8 | 0 | 0 | 0 | 111.2 | D76 K77 L78 L112 K114 | N74-D76 VanDerWaalsContact C-N 3.28Å; N74-D76 WeakPolarHBondContact CB-OD1 3.44Å; N74-D76 PolarHBondContact O-N 3.37Å; N74-K77 PolarHBondContact O-N 3.43Å; N74-K77 VanDerWaalsContact O-N 3.16Å; N74-L78 PolarHBondContact O-N 2.95Å; N74-L112 WeakPolarHBondContact CA-O 3.23Å; N74-L112 WeakPolarHBondContact OD1-CB 3.33Å; N74-K114 HydrophobicContact CB-CB 4.03Å; N74-K114 WeakPolarHBondContact OD1-CB 3.28Å |
| 75 | L | 94.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.005 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -59.6 | -34.8 | -178.2 | -63.7 | -177.3 | 0 | 0 | 0 | 113.9 | K77 L78 V111 L112 K114 L117 A133 K136 I137 | L75-K77 PolarHBondContact O-N 3.25Å; L75-L78 HydrophobicContact CD2-CD1 4.09Å; L75-L78 WeakPolarHBondContact O-CB 3.31Å; L75-L78 PolarHBondContact O-N 3.26Å; L75-V111 HydrophobicContact CD2-CG1 3.75Å; L75-L112 PolarHBondContact N-O 3.31Å; L75-L112 VanDerWaalsContact N-O 3.13Å; L75-K114 PolarHBondContact N-O 3.02Å; L75-L117 HydrophobicContact CB-CD2 4.22Å; L75-L117 HydrophobicContact CB-CG 4.09Å; L75-L117 HydrophobicContact CD1-CD1 4.29Å; L75-L117 HydrophobicContact CD1-CG 4.4Å; L75-L117 HydrophobicContact CD2-CD1 4.16Å; L75-L117 WeakPolarHBondContact O-CD2 3.45Å; L75-A133 HydrophobicContact CD2-CB 4.32Å; L75-K136 HydrophobicContact CD1-CB 3.58Å; L75-K136 HydrophobicContact CD1-CD 3.62Å; L75-K136 HydrophobicContact CD1-CG 4.28Å; L75-I137 HydrophobicContact CD2-CD1 3.75Å; L75-I137 HydrophobicContact CD2-CG1 3.82Å |
| 76 | D | 93 | Very high | 93 | Very high | 74 Ų | 74 | 72 Ų | 72 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -58.7 | -32.1 | 177 | 56.4 | -10.7 | 0 | 0 | 0 | 113.5 | N74 K114 | N74-D76 VanDerWaalsContact C-N 3.28Å; N74-D76 WeakPolarHBondContact CB-OD1 3.44Å; N74-D76 PolarHBondContact O-N 3.37Å; D76-K114 PolarHBondContact N-O 3.11Å |
| 77 | K | 94 | Very high | 92.5 | Very high | 126 Ų | 126 | 69.8 Ų | 69.8 | 55% | 0.548 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -97.7 | -1.1 | -178.9 | -66.5 | -176 | 179.1 | -171.4 | 0 | 113.7 | I73 N74 L75 W79 T80 | I73-K77 HydrophobicContact CD1-CB 4.39Å; I73-K77 HydrophobicContact CG1-CB 4.21Å; N74-K77 PolarHBondContact O-N 3.43Å; N74-K77 VanDerWaalsContact O-N 3.16Å; L75-K77 PolarHBondContact O-N 3.25Å; K77-W79 VanDerWaalsContact C-N 3.26Å; K77-W79 PolarHBondContact O-N 3.38Å; K77-T80 PolarHBondContact O-N 2.91Å; K77-T80 PolarHBondContact O-OG1 2.83Å |
| 78 | L | 92.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -63 | -36.6 | -172.2 | -161.2 | 143 | 0 | 0 | 0 | 112 | N74 L75 T80 L81 I101 V111 L117 V122 V124 | N74-L78 PolarHBondContact O-N 2.95Å; L75-L78 HydrophobicContact CD2-CD1 4.09Å; L75-L78 WeakPolarHBondContact O-CB 3.31Å; L75-L78 PolarHBondContact O-N 3.26Å; L78-T80 VanDerWaalsContact C-N 3.27Å; L78-T80 PolarHBondContact O-N 3.22Å; L78-L81 WeakPolarHBondContact O-CB 3.48Å; L78-L81 PolarHBondContact O-N 2.91Å; L78-I101 HydrophobicContact CD2-CB 3.93Å; L78-I101 HydrophobicContact CD2-CD1 3.38Å; L78-I101 HydrophobicContact CD2-CG1 4.13Å; L78-I101 HydrophobicContact CD2-CG2 3.82Å; L78-I101 HydrophobicContact CG-CG2 4.24Å; L78-V111 HydrophobicContact CD1-CG1 4.12Å; L78-L117 HydrophobicContact CB-CD2 4.37Å; L78-V122 HydrophobicContact CD2-CG2 4.07Å; L78-V124 HydrophobicContact CD1-CB 4.44Å; L78-V124 HydrophobicContact CD1-CG1 3.83Å; L78-V124 HydrophobicContact CD1-CG2 3.7Å; L78-V124 HydrophobicContact CD2-CG2 3.88Å; L78-V124 HydrophobicContact CG-CG2 4.41Å |
| 79 | W | 91.8 | Very high | 91.9 | Very high | 16 Ų | 16 | 67.4 Ų | 67.4 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -74.6 | -9.5 | 176.3 | -70.8 | 101.2 | 0 | 0 | 0 | 114.8 | K77 R87 P99 I101 P118 Q120 V122 | K77-W79 VanDerWaalsContact C-N 3.26Å; K77-W79 PolarHBondContact O-N 3.38Å; W79-R87 HydrophobicContact CD2-CG 4.29Å; W79-R87 HydrophobicContact CE3-CB 4.04Å; W79-R87 HydrophobicContact CE3-CG 3.68Å; W79-R87 HydrophobicContact CZ3-CB 4.24Å; W79-R87 HydrophobicContact CZ3-CG 3.95Å; W79-P99 HydrophobicContact CH2-CG 3.54Å; W79-P99 HydrophobicContact CZ3-CG 3.84Å; W79-I101 HydrophobicContact CD2-CD1 4.3Å; W79-I101 HydrophobicContact CE3-CD1 3.97Å; W79-I101 HydrophobicContact CZ3-CD1 4.17Å; W79-P118 HydrophobicContact CG-CG 4.49Å; W79-P118 HydrophobicContact CZ2-CG 4.29Å; W79-Q120 HydrophobicContact CH2-CG 3.97Å; W79-Q120 HydrophobicContact CZ2-CB 4.19Å; W79-Q120 HydrophobicContact CZ2-CG 4.06Å; W79-V122 HydrophobicContact CH2-CB 4.26Å; W79-V122 HydrophobicContact CH2-CG2 4.41Å; W79-V122 HydrophobicContact CZ2-CB 3.9Å; W79-V122 HydrophobicContact CZ2-CG1 4.43Å; W79-V122 HydrophobicContact CZ2-CG2 4.27Å |
| 80 | T | 92.4 | Very high | 91.3 | Very high | 107 Ų | 107 | 65.8 Ų | 65.8 | 66% | 0.656 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -78.7 | -12.3 | 172.8 | 72.6 | 0 | 0 | 0 | 0 | 112.1 | K77 L78 V82 | K77-T80 PolarHBondContact O-N 2.91Å; K77-T80 PolarHBondContact O-OG1 2.83Å; L78-T80 VanDerWaalsContact C-N 3.27Å; L78-T80 PolarHBondContact O-N 3.22Å; T80-V82 PolarHBondContact O-N 3.31Å |
| 81 | L | 92.3 | Very high | 90.7 | Very high | 54 Ų | 54 | 65.3 Ų | 65.3 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -76.3 | -7.1 | 174.7 | -60.7 | -173.6 | 0 | 0 | 0 | 112.9 | I73 L78 I101 A106 Y108 | I73-L81 HydrophobicContact CD1-CD1 3.63Å; I73-L81 HydrophobicContact CD1-CD2 3.96Å; I73-L81 HydrophobicContact CD1-CG 3.8Å; L78-L81 WeakPolarHBondContact O-CB 3.48Å; L78-L81 PolarHBondContact O-N 2.91Å; L81-I101 HydrophobicContact CB-CG2 3.98Å; L81-I101 HydrophobicContact CD1-CG2 3.8Å; L81-I101 HydrophobicContact CG-CG2 4.45Å; L81-A106 HydrophobicContact CD1-CB 4Å; L81-A106 HydrophobicContact CD2-CB 3.79Å; L81-A106 HydrophobicContact CG-CB 4.44Å; L81-Y108 HydrophobicContact CD2-CD2 4.4Å; L81-Y108 HydrophobicContact CD2-CE2 4Å |
| 82 | V | 90.4 | Very high | 90 | Very high | 35 Ų | 35 | 71.4 Ų | 71.4 | 21% | 0.212 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -125.5 | 148 | -178 | -172.6 | 0 | 0 | 0 | 0 | 108.5 | T80 T86 I101 | T80-V82 PolarHBondContact O-N 3.31Å; V82-T86 HydrophobicContact CG1-CG2 3.49Å; V82-T86 VanDerWaalsContact CG1-CG2 3.49Å; V82-I101 HydrophobicContact CG2-CD1 3.51Å; V82-I101 HydrophobicContact CG2-CG1 3.56Å; V82-I101 HydrophobicContact CG2-CG2 4.48Å |
| 83 | S | 89.9 | Confident | 89.2 | Confident | 63 Ų | 63 | 75.2 Ų | 75.2 | 44% | 0.441 | 38% | 0.381 | S | S | . | . | trans | -63.3 | 147.4 | 173.8 | 63.9 | 0 | 0 | 0 | 0 | 111.8 | Q85 T86 R87 | S83-Q85 VanDerWaalsContact C-N 3.26Å; S83-Q85 PolarHBondContact O-N 2.96Å; S83-T86 WeakPolarHBondContact O-CB 3.35Å; S83-T86 PolarHBondContact O-N 2.92Å; S83-T86 VanDerWaalsContact O-N 3.14Å; S83-T86 WeakPolarHBondContact OG-CB 3.32Å; S83-T86 PolarHBondContact OG-OG1 3.07Å; S83-R87 PolarHBondContact O-N 3.2Å; S83-R87 VanDerWaalsContact O-N 3.08Å | ||
| 84 | E | 87.4 | Confident | 87.9 | Confident | 154 Ų | 154 | 79.7 Ų | 79.7 | 72% | 0.72 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.7 | -38.2 | 179.1 | -175.2 | 168.3 | -154.6 | 0 | 0 | 112.2 | T86 R87 V88 | E84-T86 VanDerWaalsContact C-N 3.33Å; E84-T86 PolarHBondContact O-N 3.32Å; E84-R87 WeakPolarHBondContact O-CB 3.37Å; E84-R87 PolarHBondContact O-N 3.41Å; E84-V88 HydrophobicContact CG-CG2 4.38Å; E84-V88 WeakPolarHBondContact O-CG2 3.45Å; E84-V88 PolarHBondContact O-N 3.1Å |
| 85 | Q | 86.8 | Confident | 86.8 | Confident | 152 Ų | 152 | 87.2 Ų | 87.2 | 71% | 0.71 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -55.7 | -48 | 175.1 | -66.5 | 176.5 | -6.7 | 0 | 0 | 111.6 | S83 V88 N89 | S83-Q85 VanDerWaalsContact C-N 3.26Å; S83-Q85 PolarHBondContact O-N 2.96Å; Q85-V88 PolarHBondContact O-N 2.83Å; Q85-N89 WeakPolarHBondContact O-CB 3.29Å; Q85-N89 PolarHBondContact O-N 3.29Å; Q85-N89 PolarHBondContact O-ND2 3.44Å |
| 86 | T | 85.5 | Confident | 86 | Confident | 48 Ų | 48 | 88.8 Ų | 88.8 | 29% | 0.294 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 110.4 | V82 S83 E84 V88 N89 Y90 | V82-T86 HydrophobicContact CG1-CG2 3.49Å; V82-T86 VanDerWaalsContact CG1-CG2 3.49Å; S83-T86 WeakPolarHBondContact O-CB 3.35Å; S83-T86 PolarHBondContact O-N 2.92Å; S83-T86 VanDerWaalsContact O-N 3.14Å; S83-T86 WeakPolarHBondContact OG-CB 3.32Å; S83-T86 PolarHBondContact OG-OG1 3.07Å; E84-T86 VanDerWaalsContact C-N 3.33Å; E84-T86 PolarHBondContact O-N 3.32Å; T86-V88 PolarHBondContact O-N 3.18Å; T86-N89 PolarHBondContact O-N 3Å; T86-Y90 HydrophobicContact CG2-CD2 3.66Å; T86-Y90 HydrophobicContact CG2-CE2 3.61Å; T86-Y90 VanDerWaalsContact O-CD2 3.23Å; T86-Y90 WeakPolarHBondContact O-CD2 3.24Å; T86-Y90 PolarHBondContact O-N 3.37Å |
| 87 | R | 84.9 | Confident | 85.5 | Confident | 99 Ų | 99 | 90.4 Ų | 90.4 | 37% | 0.374 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.5 | -48.2 | 177.3 | 178 | -178.5 | 173.5 | -169.4 | -5 | 112.3 | W79 S83 E84 Y90 G91 Q120 | W79-R87 HydrophobicContact CD2-CG 4.29Å; W79-R87 HydrophobicContact CE3-CB 4.04Å; W79-R87 HydrophobicContact CE3-CG 3.68Å; W79-R87 HydrophobicContact CZ3-CB 4.24Å; W79-R87 HydrophobicContact CZ3-CG 3.95Å; S83-R87 PolarHBondContact O-N 3.2Å; S83-R87 VanDerWaalsContact O-N 3.08Å; E84-R87 WeakPolarHBondContact O-CB 3.37Å; E84-R87 PolarHBondContact O-N 3.41Å; R87-Y90 PolarHBondContact O-N 2.71Å; R87-G91 PolarHBondContact O-N 2.83Å; R87-Q120 PolarHBondContact O-NE2 3.22Å |
| 88 | V | 86.6 | Confident | 85.1 | Confident | 66 Ų | 66 | 85.9 Ų | 85.9 | 40% | 0.4 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | -179.9 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | E84 Q85 T86 Y90 G91 K92 | E84-V88 HydrophobicContact CG-CG2 4.38Å; E84-V88 WeakPolarHBondContact O-CG2 3.45Å; E84-V88 PolarHBondContact O-N 3.1Å; Q85-V88 PolarHBondContact O-N 2.83Å; T86-V88 PolarHBondContact O-N 3.18Å; V88-Y90 PolarHBondContact O-N 3.08Å; V88-G91 PolarHBondContact O-N 3.01Å; V88-K92 HydrophobicContact CG1-CD 4.46Å; V88-K92 WeakPolarHBondContact O-CG 3.34Å; V88-K92 PolarHBondContact O-N 3.35Å; V88-K92 VanDerWaalsContact O-N 3.15Å |
| 89 | N | 86.2 | Confident | 85 | Confident | 97 Ų | 97 | 86.2 Ų | 86.2 | 52% | 0.519 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 179.1 | -72.5 | -15.5 | 0 | 0 | 0 | 112.3 | Q85 T86 G91 K92 | Q85-N89 WeakPolarHBondContact O-CB 3.29Å; Q85-N89 PolarHBondContact O-N 3.29Å; Q85-N89 PolarHBondContact O-ND2 3.44Å; T86-N89 PolarHBondContact O-N 3Å; N89-G91 VanDerWaalsContact C-N 3.34Å; N89-K92 PolarHBondContact O-N 3.05Å |
| 90 | Y | 82.9 | Confident | 85.1 | Confident | 92 Ų | 92 | 89.1 Ų | 89.1 | 36% | 0.361 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.4 | -27.9 | 175.4 | -77.3 | -75.7 | 0 | 0 | 0 | 112.6 | T86 R87 V88 K92 K93 P97 P99 | T86-Y90 HydrophobicContact CG2-CD2 3.66Å; T86-Y90 HydrophobicContact CG2-CE2 3.61Å; T86-Y90 VanDerWaalsContact O-CD2 3.23Å; T86-Y90 WeakPolarHBondContact O-CD2 3.24Å; T86-Y90 PolarHBondContact O-N 3.37Å; R87-Y90 PolarHBondContact O-N 2.71Å; V88-Y90 PolarHBondContact O-N 3.08Å; Y90-K92 VanDerWaalsContact C-N 3.28Å; Y90-K92 PolarHBondContact O-N 3.1Å; Y90-K93 PolarHBondContact O-N 3.15Å; Y90-P97 WeakPolarHBondContact CD1-O 3.36Å; Y90-P97 WeakPolarHBondContact CE1-O 3.16Å; Y90-P99 HydrophobicContact CD1-CB 4.43Å; Y90-P99 HydrophobicContact CD2-CB 3.91Å; Y90-P99 HydrophobicContact CD2-CG 4.42Å; Y90-P99 HydrophobicContact CE2-CB 4.23Å; Y90-P99 HydrophobicContact CG-CB 4.04Å; Y90-P99 HydrophobicContact CG-CG 4.12Å |
| 91 | G | 82.6 | Confident | 85.2 | Confident | 41 Ų | 41 | 84.2 Ų | 84.2 | 42% | 0.423 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.2 | -28.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R87 V88 N89 K93 Q120 | R87-G91 PolarHBondContact O-N 2.83Å; V88-G91 PolarHBondContact O-N 3.01Å; N89-G91 VanDerWaalsContact C-N 3.34Å; G91-K93 VanDerWaalsContact C-N 3.35Å; G91-Q120 VanDerWaalsContact N-NE2 3.14Å |
| 92 | K | 83.1 | Confident | 85.3 | Confident | 156 Ų | 156 | 84.1 Ų | 84.1 | 68% | 0.678 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -14.3 | 177.3 | -69.7 | 175 | -179 | 179.6 | 0 | 113.9 | V88 N89 Y90 P94 | V88-K92 HydrophobicContact CG1-CD 4.46Å; V88-K92 WeakPolarHBondContact O-CG 3.34Å; V88-K92 PolarHBondContact O-N 3.35Å; V88-K92 VanDerWaalsContact O-N 3.15Å; N89-K92 PolarHBondContact O-N 3.05Å; Y90-K92 VanDerWaalsContact C-N 3.28Å; Y90-K92 PolarHBondContact O-N 3.1Å; K92-P94 VanDerWaalsContact C-CD 3.48Å; K92-P94 WeakPolarHBondContact O-CD 3.2Å |
| 93 | K | 79.9 | Confident | 85.6 | Confident | 150 Ų | 150 | 82.5 Ų | 82.5 | 65% | 0.652 | 44% | 0.443 | S | S | * | . | trans | -122.1 | 71.9 | -175.8 | -64.6 | -175.2 | -179.2 | -175.6 | 0 | 110.7 | Y90 G91 E95 G96 | Y90-K93 PolarHBondContact O-N 3.15Å; G91-K93 VanDerWaalsContact C-N 3.35Å; K93-E95 VanDerWaalsContact C-N 3.28Å; K93-E95 PolarHBondContact O-N 2.68Å; K93-G96 PolarHBondContact O-N 3.31Å; K93-G96 VanDerWaalsContact O-N 3.13Å | ||
| 94 | P | 71.1 | Confident | 85.8 | Confident | 100 Ų | 100 | 81.1 Ų | 81.1 | 65% | 0.649 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -28.1 | -174 | 25.5 | -34 | 0 | 0 | 0 | 113.7 | K92 | K92-P94 VanDerWaalsContact C-CD 3.48Å; K92-P94 WeakPolarHBondContact O-CD 3.2Å |
| 95 | E | 75.1 | Confident | 86.1 | Confident | 200 Ų | 200 | 84.6 Ų | 84.6 | 94% | 0.935 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -1.2 | 177.7 | -57.3 | -164 | 171.7 | 0 | 0 | 113.5 | K93 | K93-E95 VanDerWaalsContact C-N 3.28Å; K93-E95 PolarHBondContact O-N 2.68Å |
| 96 | G | 77.4 | Confident | 86.5 | Confident | 34 Ų | 34 | 79.5 Ų | 79.5 | 35% | 0.351 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -84.2 | -179.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K93 A98 | K93-G96 PolarHBondContact O-N 3.31Å; K93-G96 VanDerWaalsContact O-N 3.13Å; G96-A98 PolarHBondContact O-N 2.86Å |
| 97 | P | 82 | Confident | 86.9 | Confident | 107 Ų | 107 | 78.6 Ų | 78.6 | 70% | 0.695 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 132.2 | 175.7 | 24.6 | -32.9 | 0 | 0 | 0 | 110.9 | Y90 | Y90-P97 WeakPolarHBondContact CD1-O 3.36Å; Y90-P97 WeakPolarHBondContact CE1-O 3.16Å |
| 98 | A | 86.3 | Confident | 87.5 | Confident | 32 Ų | 32 | 77.8 Ų | 77.8 | 26% | 0.264 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 145 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G96 P121 I123 | G96-A98 PolarHBondContact O-N 2.86Å; A98-P121 HydrophobicContact CB-CB 4.27Å; A98-I123 HydrophobicContact CB-CD1 4.24Å; A98-I123 HydrophobicContact CB-CG1 4.1Å |
| 99 | P | 91.3 | Very high | 88 | Confident | 8 Ų | 8 | 77.7 Ų | 77.7 | 5% | 0.052 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 137.9 | 177 | 26.1 | -32.1 | 0 | 0 | 0 | 111.1 | W79 Y90 P121 I123 | W79-P99 HydrophobicContact CH2-CG 3.54Å; W79-P99 HydrophobicContact CZ3-CG 3.84Å; Y90-P99 HydrophobicContact CD1-CB 4.43Å; Y90-P99 HydrophobicContact CD2-CB 3.91Å; Y90-P99 HydrophobicContact CD2-CG 4.42Å; Y90-P99 HydrophobicContact CE2-CB 4.23Å; Y90-P99 HydrophobicContact CG-CB 4.04Å; Y90-P99 HydrophobicContact CG-CG 4.12Å; P99-P121 WeakPolarHBondContact CD-O 3.32Å; P99-I123 PolarHBondContact O-N 2.87Å |
| 100 | V | 92.8 | Very high | 88.5 | Confident | 77 Ų | 77 | 76.6 Ų | 76.6 | 47% | 0.467 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 118.9 | 175.6 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | I123 K125 | V100-I123 CarbonylContact C-O 3.15Å; V100-I123 WeakPolarHBondContact CA-O 3.27Å; V100-I123 HydrophobicContact CG2-CB 4.18Å; V100-I123 HydrophobicContact CG2-CD1 4.28Å; V100-I123 HydrophobicContact CG2-CG2 4.43Å; V100-K125 HydrophobicContact CG1-CD 3.75Å; V100-K125 HydrophobicContact CG1-CG 4.14Å |
| 101 | I | 94.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.015 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 110.6 | 177.6 | -60 | -171.4 | 0 | 0 | 0 | 108.5 | L78 W79 L81 V82 A103 V122 I123 K125 | L78-I101 HydrophobicContact CD2-CB 3.93Å; L78-I101 HydrophobicContact CD2-CD1 3.38Å; L78-I101 HydrophobicContact CD2-CG1 4.13Å; L78-I101 HydrophobicContact CD2-CG2 3.82Å; L78-I101 HydrophobicContact CG-CG2 4.24Å; W79-I101 HydrophobicContact CD2-CD1 4.3Å; W79-I101 HydrophobicContact CE3-CD1 3.97Å; W79-I101 HydrophobicContact CZ3-CD1 4.17Å; L81-I101 HydrophobicContact CB-CG2 3.98Å; L81-I101 HydrophobicContact CD1-CG2 3.8Å; L81-I101 HydrophobicContact CG-CG2 4.45Å; V82-I101 HydrophobicContact CG2-CD1 3.51Å; V82-I101 HydrophobicContact CG2-CG1 3.56Å; V82-I101 HydrophobicContact CG2-CG2 4.48Å; I101-A103 PolarHBondContact O-N 3.42Å; I101-V122 HydrophobicContact CB-CG2 4.44Å; I101-V122 HydrophobicContact CD1-CG2 3.77Å; I101-V122 HydrophobicContact CG1-CG2 3.93Å; I101-I123 PolarHBondContact N-O 3.16Å; I101-K125 PolarHBondContact O-N 2.99Å |
| 102 | D | 95.3 | Very high | 90 | Very high | 52 Ų | 52 | 72.5 Ų | 72.5 | 28% | 0.278 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 99.1 | 178.8 | -167.4 | -26.4 | 0 | 0 | 0 | 110.6 | V104 R105 A106 | D102-V104 VanDerWaalsContact C-N 3.32Å; D102-V104 WeakPolarHBondContact OD1-CA 3.39Å; D102-V104 WeakPolarHBondContact OD1-CB 3.39Å; D102-V104 PolarHBondContact OD1-N 2.92Å; D102-R105 HydrophobicContact CB-CB 4.05Å; D102-R105 PolarHBondContact OD1-N 3.42Å; D102-A106 PolarHBondContact O-N 3.35Å |
| 103 | A | 95.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 65.6 Ų | 65.6 | 2% | 0.017 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -33 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I73 I101 A106 G107 Y108 V111 K125 A126 | I73-A103 HydrophobicContact CG2-CB 4.48Å; I101-A103 PolarHBondContact O-N 3.42Å; A103-A106 CarbonylContact O-C 3.58Å; A103-A106 PolarHBondContact O-N 3.14Å; A103-G107 PolarHBondContact O-N 3.47Å; A103-Y108 CarbonylContact C-O 3.58Å; A103-Y108 WeakPolarHBondContact O-CA 3.47Å; A103-Y108 PolarHBondContact O-N 3.44Å; A103-V111 HydrophobicContact CB-CG2 4.3Å; A103-K125 VanDerWaalsContact CB-O 3.29Å; A103-K125 WeakPolarHBondContact CB-O 3.34Å; A103-K125 PolarHBondContact N-O 3Å; A103-A126 HydrophobicContact CB-CB 4.12Å |
| 104 | V | 95.1 | Very high | 91.4 | Very high | 34 Ų | 34 | 65.2 Ų | 65.2 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -45 | -177.5 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | D102 A106 G107 Y108 Y109 K127 M147 | D102-V104 VanDerWaalsContact C-N 3.32Å; D102-V104 WeakPolarHBondContact OD1-CA 3.39Å; D102-V104 WeakPolarHBondContact OD1-CB 3.39Å; D102-V104 PolarHBondContact OD1-N 2.92Å; V104-A106 PolarHBondContact O-N 3.19Å; V104-G107 WeakPolarHBondContact O-CA 3.28Å; V104-G107 PolarHBondContact O-N 3.12Å; V104-Y108 WeakPolarHBondContact CA-O 3.33Å; V104-Y108 PolarHBondContact N-O 3.24Å; V104-Y109 HydrophobicContact CG1-CE1 4.34Å; V104-K127 HydrophobicContact CG2-CG 3.95Å; V104-M147 HydrophobicContact CG2-CB 4.06Å; V104-M147 HydrophobicContact CG2-CG 4.48Å |
| 105 | R | 94.3 | Very high | 92.4 | Very high | 226 Ų | 226 | 61.9 Ų | 61.9 | 85% | 0.853 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -32.6 | 174.8 | -173.9 | 176.4 | 176.4 | -176.6 | 0.1 | 112.3 | D102 G107 | D102-R105 HydrophobicContact CB-CB 4.05Å; D102-R105 PolarHBondContact OD1-N 3.42Å; R105-G107 PolarHBondContact O-N 3.29Å |
| 106 | A | 94.1 | Very high | 93.1 | Very high | 45 Ų | 45 | 61.2 Ų | 61.2 | 37% | 0.372 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 1.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L81 D102 A103 V104 Y108 | L81-A106 HydrophobicContact CD1-CB 4Å; L81-A106 HydrophobicContact CD2-CB 3.79Å; L81-A106 HydrophobicContact CG-CB 4.44Å; D102-A106 PolarHBondContact O-N 3.35Å; A103-A106 CarbonylContact O-C 3.58Å; A103-A106 PolarHBondContact O-N 3.14Å; V104-A106 PolarHBondContact O-N 3.19Å; A106-Y108 HydrophobicContact CB-CD2 3.95Å; A106-Y108 HydrophobicContact CB-CE2 4.3Å |
| 107 | G | 95.1 | Very high | 93.7 | Very high | 30 Ų | 30 | 60.6 Ų | 60.6 | 31% | 0.309 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 12.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | P71 A103 V104 R105 | P71-G107 WeakPolarHBondContact CB-O 3.25Å; P71-G107 WeakPolarHBondContact CG-O 3.47Å; A103-G107 PolarHBondContact O-N 3.47Å; V104-G107 WeakPolarHBondContact O-CA 3.28Å; V104-G107 PolarHBondContact O-N 3.12Å; R105-G107 PolarHBondContact O-N 3.29Å |
| 108 | Y | 96.9 | Very high | 94.1 | Very high | 82 Ų | 82 | 57.3 Ų | 57.3 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | trans | -108.1 | 131.6 | 178.4 | -59.8 | -76 | 0 | 0 | 0 | 111.7 | P71 T72 I73 L81 A103 V104 A106 | P71-Y108 HydrophobicContact CB-CD1 4.12Å; T72-Y108 WeakPolarHBondContact O-CD1 3.23Å; I73-Y108 HydrophobicContact CB-CD1 3.85Å; I73-Y108 HydrophobicContact CB-CD2 4.19Å; I73-Y108 HydrophobicContact CB-CE1 4.27Å; I73-Y108 HydrophobicContact CB-CG 3.8Å; I73-Y108 HydrophobicContact CD1-CD2 4.06Å; I73-Y108 HydrophobicContact CD1-CE2 4.03Å; I73-Y108 HydrophobicContact CG2-CG 4.11Å; L81-Y108 HydrophobicContact CD2-CD2 4.4Å; L81-Y108 HydrophobicContact CD2-CE2 4Å; A103-Y108 CarbonylContact C-O 3.58Å; A103-Y108 WeakPolarHBondContact O-CA 3.47Å; A103-Y108 PolarHBondContact O-N 3.44Å; V104-Y108 WeakPolarHBondContact CA-O 3.33Å; V104-Y108 PolarHBondContact N-O 3.24Å; A106-Y108 HydrophobicContact CB-CD2 3.95Å; A106-Y108 HydrophobicContact CB-CE2 4.3Å | ||
| 109 | Y | 96.5 | Very high | 94.1 | Very high | 63 Ų | 63 | 65.9 Ų | 65.9 | 25% | 0.247 | 33% | 0.325 | C | S | . | . | trans | -100.8 | -32.4 | -177.1 | -71.6 | 4.4 | 0 | 0 | 0 | 112.3 | Y69 P71 V104 K127 F128 | Y69-Y109 HydrophobicContact CD1-CD2 4.29Å; Y69-Y109 AromaticContact CD1-CE2 3.68Å; Y69-Y109 HydrophobicContact CD1-CE2 3.68Å; Y69-Y109 AromaticContact CD1-CZ 3.91Å; Y69-Y109 HydrophobicContact CE1-CE2 4.28Å; Y69-Y109 VanDerWaalsContact O-CD2 3.23Å; Y69-Y109 WeakPolarHBondContact O-CD2 3.47Å; Y69-Y109 WeakPolarHBondContact O-CE2 3.34Å; P71-Y109 PolarHBondContact O-N 3.4Å; V104-Y109 HydrophobicContact CG1-CE1 4.34Å; Y109-K127 HydrophobicContact CD1-CD 4.2Å; Y109-K127 HydrophobicContact CD1-CG 4.45Å; Y109-K127 HydrophobicContact CD2-CD 4.03Å; Y109-K127 HydrophobicContact CE2-CD 4.35Å; Y109-K127 HydrophobicContact CG-CD 3.96Å; Y109-K127 HydrophobicContact CG-CG 4.32Å; Y109-K127 WeakPolarHBondContact O-CA 3.35Å; Y109-K127 WeakPolarHBondContact O-CB 3.45Å; Y109-K127 PolarHBondContact O-N 3.32Å; Y109-F128 PolarHBondContact O-N 3.22Å | ||
| 110 | K | 97.3 | Very high | 93.9 | Very high | 74 Ų | 74 | 66.7 Ų | 66.7 | 32% | 0.322 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.2 | -176.9 | -176 | 170.1 | -171.7 | 173.1 | 0 | 112.9 | P71 T72 I73 L112 F128 | P71-K110 PolarHBondContact O-N 2.83Å; P71-K110 VanDerWaalsContact O-N 3.16Å; T72-K110 CarbonylContact C-O 3.56Å; T72-K110 VanDerWaalsContact CA-O 3.24Å; T72-K110 WeakPolarHBondContact CA-O 3.41Å; T72-K110 HydrophobicContact CG2-CB 4.12Å; I73-K110 PolarHBondContact N-O 3.44Å; K110-L112 HydrophobicContact CD-CD2 4.12Å; K110-L112 HydrophobicContact CG-CD2 4.06Å; K110-F128 CarbonylContact C-O 3.03Å; K110-F128 VanDerWaalsContact CA-O 3.29Å; K110-F128 WeakPolarHBondContact CA-O 3.32Å; K110-F128 HydrophobicContact CB-CB 3.95Å; K110-F128 HydrophobicContact CD-CB 4.13Å; K110-F128 HydrophobicContact CG-CB 3.8Å |
| 111 | V | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 131.1 | 174.1 | -178.2 | 0 | 0 | 0 | 0 | 110 | I73 L75 L78 A103 V124 A126 F128 F129 S130 A133 | I73-V111 HydrophobicContact CG2-CG2 3.89Å; I73-V111 CarbonylContact O-C 3.44Å; I73-V111 WeakPolarHBondContact O-CA 3.42Å; L75-V111 HydrophobicContact CD2-CG1 3.75Å; L78-V111 HydrophobicContact CD1-CG1 4.12Å; A103-V111 HydrophobicContact CB-CG2 4.3Å; V111-V124 HydrophobicContact CG2-CG1 4.02Å; V111-A126 HydrophobicContact CG2-CB 3.63Å; V111-F128 PolarHBondContact N-O 3.47Å; V111-F129 HydrophobicContact CB-CD1 3.67Å; V111-F129 HydrophobicContact CB-CE1 3.84Å; V111-F129 HydrophobicContact CG1-CD1 4.21Å; V111-F129 HydrophobicContact CG1-CE1 4.33Å; V111-F129 HydrophobicContact CG2-CD1 4.18Å; V111-F129 HydrophobicContact CG2-CE1 3.84Å; V111-S130 PolarHBondContact O-N 3.21Å; V111-A133 HydrophobicContact CG1-CB 4.26Å |
| 112 | L | 98.1 | Very high | 93.7 | Very high | 48 Ų | 48 | 65.1 Ų | 65.1 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 146.9 | -176.9 | -63.1 | -179.6 | 0 | 0 | 0 | 111.7 | T72 I73 N74 L75 K110 K114 | T72-L112 HydrophobicContact CG2-CD1 4.19Å; I73-L112 PolarHBondContact O-N 3.45Å; N74-L112 WeakPolarHBondContact CA-O 3.23Å; N74-L112 WeakPolarHBondContact OD1-CB 3.33Å; L75-L112 PolarHBondContact N-O 3.31Å; L75-L112 VanDerWaalsContact N-O 3.13Å; K110-L112 HydrophobicContact CD-CD2 4.12Å; K110-L112 HydrophobicContact CG-CD2 4.06Å; L112-K114 VanDerWaalsContact C-N 3.32Å; L112-K114 PolarHBondContact O-N 3.24Å |
| 113 | G | 96.2 | Very high | 93.6 | Very high | 11 Ų | 11 | 65 Ų | 65 | 11% | 0.113 | 32% | 0.319 | C | S | . | . | trans | -81.4 | 18.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | S130 K136 | G113-S130 PolarHBondContact N-OG 3.09Å; G113-K136 PolarHBondContact O-NZ 3.46Å | ||
| 114 | K | 96.9 | Very high | 93.7 | Very high | 142 Ų | 142 | 64.9 Ų | 64.9 | 62% | 0.617 | 32% | 0.318 | S | S | * | . | trans | -72.3 | 139.1 | 176.5 | -172.7 | -175 | 172.9 | -176.2 | 0 | 110 | N74 L75 D76 L112 | N74-K114 HydrophobicContact CB-CB 4.03Å; N74-K114 WeakPolarHBondContact OD1-CB 3.28Å; L75-K114 PolarHBondContact N-O 3.02Å; D76-K114 PolarHBondContact N-O 3.11Å; L112-K114 VanDerWaalsContact C-N 3.32Å; L112-K114 PolarHBondContact O-N 3.24Å | ||
| 115 | G | 93.4 | Very high | 93.7 | Very high | 29 Ų | 29 | 66.4 Ų | 66.4 | 30% | 0.299 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 89.1 | -168.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K136 | G115-K136 PolarHBondContact O-NZ 3.14Š|
| 116 | K | 89.6 | Confident | 93.9 | Very high | 187 Ų | 187 | 55.7 Ų | 55.7 | 81% | 0.813 | 28% | 0.281 | S | S | * | . | trans | -125.8 | 142.9 | 178.6 | -64.9 | -176.9 | 180 | -178.6 | 0 | 108.7 | ||||
| 117 | L | 89.8 | Confident | 94 | Very high | 20 Ų | 20 | 55.8 Ų | 55.8 | 11% | 0.105 | 27% | 0.273 | C | S | . | . | trans | -85.7 | 148.6 | 166.5 | -71.9 | 167 | 0 | 0 | 0 | 109.1 | L75 L78 V122 I137 V140 | L75-L117 HydrophobicContact CB-CD2 4.22Å; L75-L117 HydrophobicContact CB-CG 4.09Å; L75-L117 HydrophobicContact CD1-CD1 4.29Å; L75-L117 HydrophobicContact CD1-CG 4.4Å; L75-L117 HydrophobicContact CD2-CD1 4.16Å; L75-L117 WeakPolarHBondContact O-CD2 3.45Å; L78-L117 HydrophobicContact CB-CD2 4.37Å; L117-V122 HydrophobicContact CD1-CG1 4.35Å; L117-I137 HydrophobicContact CD1-CB 4.47Å; L117-I137 HydrophobicContact CD1-CG1 3.7Å; L117-V140 HydrophobicContact CB-CG1 4Å; L117-V140 HydrophobicContact CB-CG2 4.22Å; L117-V140 HydrophobicContact CD1-CG2 3.88Å | ||
| 118 | P | 89.2 | Confident | 94.1 | Very high | 38 Ų | 38 | 59.6 Ų | 59.6 | 25% | 0.247 | 28% | 0.282 | C | S | . | . | trans | -57.8 | 156 | 163.3 | 27.9 | -34.1 | 0 | 0 | 0 | 109.6 | W79 Q120 | W79-P118 HydrophobicContact CG-CG 4.49Å; W79-P118 HydrophobicContact CZ2-CG 4.29Å; P118-Q120 HydrophobicContact CB-CB 4.48Å; P118-Q120 HydrophobicContact CG-CB 4.37Å; P118-Q120 PolarHBondContact O-N 3.09Å | ||
| 119 | K | 86.6 | Confident | 94.1 | Very high | 212 Ų | 212 | 56.7 Ų | 56.7 | 92% | 0.922 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -71.8 | 57.1 | 173.8 | -63.5 | -174.2 | 179.4 | -176 | 0 | 111 | ||
| 120 | Q | 87.1 | Confident | 94.2 | Very high | 25 Ų | 25 | 55 Ų | 55 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -132.2 | 121.2 | -179.1 | -179.1 | 176.4 | -6.4 | 0 | 0 | 107.3 | W79 R87 G91 P118 | W79-Q120 HydrophobicContact CH2-CG 3.97Å; W79-Q120 HydrophobicContact CZ2-CB 4.19Å; W79-Q120 HydrophobicContact CZ2-CG 4.06Å; R87-Q120 PolarHBondContact O-NE2 3.22Å; G91-Q120 VanDerWaalsContact N-NE2 3.14Å; P118-Q120 HydrophobicContact CB-CB 4.48Å; P118-Q120 HydrophobicContact CG-CB 4.37Å; P118-Q120 PolarHBondContact O-N 3.09Å |
| 121 | P | 90.7 | Very high | 94.2 | Very high | 48 Ų | 48 | 60.3 Ų | 60.3 | 31% | 0.312 | 29% | 0.286 | S | S | . | . | trans | -55.6 | 139.9 | 176.3 | -27.8 | 36.1 | 0 | 0 | 0 | 112 | A98 P99 V140 | A98-P121 HydrophobicContact CB-CB 4.27Å; P99-P121 WeakPolarHBondContact CD-O 3.32Å; P121-V140 WeakPolarHBondContact CA-O 3.45Å | ||
| 122 | V | 92.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -147.6 | 138.6 | -179.4 | 58 | 0 | 0 | 0 | 0 | 111 | L78 W79 I101 L117 V124 G142 A143 | L78-V122 HydrophobicContact CD2-CG2 4.07Å; W79-V122 HydrophobicContact CH2-CB 4.26Å; W79-V122 HydrophobicContact CH2-CG2 4.41Å; W79-V122 HydrophobicContact CZ2-CB 3.9Å; W79-V122 HydrophobicContact CZ2-CG1 4.43Å; W79-V122 HydrophobicContact CZ2-CG2 4.27Å; I101-V122 HydrophobicContact CB-CG2 4.44Å; I101-V122 HydrophobicContact CD1-CG2 3.77Å; I101-V122 HydrophobicContact CG1-CG2 3.93Å; L117-V122 HydrophobicContact CD1-CG1 4.35Å; V122-V124 HydrophobicContact CG1-CG2 4.26Å; V122-V124 HydrophobicContact CG2-CG2 4.02Å; V122-G142 CarbonylContact O-C 3.56Å; V122-G142 WeakPolarHBondContact O-CA 3.29Å; V122-A143 PolarHBondContact O-N 3.15Å | ||
| 123 | I | 94.1 | Very high | 94.1 | Very high | 48 Ų | 48 | 64.4 Ų | 64.4 | 25% | 0.246 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120 | 172.3 | -58.1 | 171.7 | 0 | 0 | 0 | 107.8 | A98 P99 V100 I101 A143 V145 | A98-I123 HydrophobicContact CB-CD1 4.24Å; A98-I123 HydrophobicContact CB-CG1 4.1Å; P99-I123 PolarHBondContact O-N 2.87Å; V100-I123 CarbonylContact C-O 3.15Å; V100-I123 WeakPolarHBondContact CA-O 3.27Å; V100-I123 HydrophobicContact CG2-CB 4.18Å; V100-I123 HydrophobicContact CG2-CD1 4.28Å; V100-I123 HydrophobicContact CG2-CG2 4.43Å; I101-I123 PolarHBondContact N-O 3.16Å; I123-A143 CarbonylContact C-O 3.57Å; I123-A143 WeakPolarHBondContact CA-O 3.42Å; I123-A143 HydrophobicContact CG1-CB 4.33Å; I123-V145 HydrophobicContact CG2-CG2 3.71Å |
| 124 | V | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 124.7 | -177.9 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | L78 V111 V122 F129 I137 A143 V145 | L78-V124 HydrophobicContact CD1-CB 4.44Å; L78-V124 HydrophobicContact CD1-CG1 3.83Å; L78-V124 HydrophobicContact CD1-CG2 3.7Å; L78-V124 HydrophobicContact CD2-CG2 3.88Å; L78-V124 HydrophobicContact CG-CG2 4.41Å; V111-V124 HydrophobicContact CG2-CG1 4.02Å; V122-V124 HydrophobicContact CG1-CG2 4.26Å; V122-V124 HydrophobicContact CG2-CG2 4.02Å; V124-F129 HydrophobicContact CB-CE1 4Å; V124-F129 HydrophobicContact CB-CZ 4.23Å; V124-F129 HydrophobicContact CG1-CE1 3.68Å; V124-F129 HydrophobicContact CG1-CZ 3.97Å; V124-F129 WeakPolarHBondContact O-CZ 3.32Å; V124-I137 HydrophobicContact CB-CD1 4.24Å; V124-I137 HydrophobicContact CG2-CD1 3.9Å; V124-I137 HydrophobicContact CG2-CG1 4.42Å; V124-A143 PolarHBondContact N-O 2.87Å; V124-V145 PolarHBondContact O-N 3.17Å |
| 125 | K | 97.1 | Very high | 94 | Very high | 67 Ų | 67 | 64.3 Ų | 64.3 | 29% | 0.291 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 120.7 | 173.3 | -73.6 | 177.5 | 178.4 | -175.5 | 0 | 110.1 | V100 I101 A103 V145 M147 | V100-K125 HydrophobicContact CG1-CD 3.75Å; V100-K125 HydrophobicContact CG1-CG 4.14Å; I101-K125 PolarHBondContact O-N 2.99Å; A103-K125 VanDerWaalsContact CB-O 3.29Å; A103-K125 WeakPolarHBondContact CB-O 3.34Å; A103-K125 PolarHBondContact N-O 3Å; K125-V145 WeakPolarHBondContact CA-O 3.31Å; K125-V145 HydrophobicContact CG-CB 3.89Å; K125-V145 HydrophobicContact CG-CG1 4.07Å; K125-M147 HydrophobicContact CB-CG 3.83Å; K125-M147 HydrophobicContact CB-SD 4.4Å; K125-M147 HydrophobicContact CD-SD 4.08Å; K125-M147 HydrophobicContact CG-CG 4.29Å; K125-M147 HydrophobicContact CG-SD 4.29Å |
| 126 | A | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 164.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A103 V111 F129 V145 L146 M147 | A103-A126 HydrophobicContact CB-CB 4.12Å; V111-A126 HydrophobicContact CG2-CB 3.63Å; A126-F129 HydrophobicContact CB-CE1 4.05Å; A126-F129 HydrophobicContact CB-CE2 3.8Å; A126-F129 HydrophobicContact CB-CZ 3.51Å; A126-V145 PolarHBondContact N-O 3.07Å; A126-V145 VanDerWaalsContact N-O 3.1Å; A126-L146 CarbonylContact O-C 3.59Å; A126-L146 WeakPolarHBondContact O-CA 3.48Å; A126-M147 PolarHBondContact O-N 3.06Å |
| 127 | K | 96.6 | Very high | 94.4 | Very high | 47 Ų | 47 | 57 Ų | 57 | 20% | 0.204 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -74.7 | -34.8 | 175.5 | -55.7 | -160.2 | 178.5 | -153.7 | 0 | 112.7 | V104 Y109 M147 A148 | V104-K127 HydrophobicContact CG2-CG 3.95Å; Y109-K127 HydrophobicContact CD1-CD 4.2Å; Y109-K127 HydrophobicContact CD1-CG 4.45Å; Y109-K127 HydrophobicContact CD2-CD 4.03Å; Y109-K127 HydrophobicContact CE2-CD 4.35Å; Y109-K127 HydrophobicContact CG-CD 3.96Å; Y109-K127 HydrophobicContact CG-CG 4.32Å; Y109-K127 WeakPolarHBondContact O-CA 3.35Å; Y109-K127 WeakPolarHBondContact O-CB 3.45Å; Y109-K127 PolarHBondContact O-N 3.32Å; K127-M147 VanDerWaalsContact CA-O 3.32Å; K127-M147 WeakPolarHBondContact CA-O 3.13Å; K127-A148 WeakPolarHBondContact CD-OXT 3.21Å; K127-A148 WeakPolarHBondContact CE-O 3.24Å; K127-A148 VanDerWaalsContact CE-OXT 3.23Å; K127-A148 WeakPolarHBondContact CE-OXT 3.48Å; K127-A148 PolarHBondContact NZ-O 3.46Å; K127-A148 PolarHBondContact NZ-OXT 3.42Å |
| 128 | F | 96.8 | Very high | 94.6 | Very high | 111 Ų | 111 | 62.1 Ų | 62.1 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 148.8 | -178.2 | -54.2 | -72.9 | 0 | 0 | 0 | 111.5 | Y109 K110 V111 | Y109-F128 PolarHBondContact O-N 3.22Å; K110-F128 CarbonylContact C-O 3.03Å; K110-F128 VanDerWaalsContact CA-O 3.29Å; K110-F128 WeakPolarHBondContact CA-O 3.32Å; K110-F128 HydrophobicContact CB-CB 3.95Å; K110-F128 HydrophobicContact CD-CB 4.13Å; K110-F128 HydrophobicContact CG-CB 3.8Å; V111-F128 PolarHBondContact N-O 3.47Å |
| 129 | F | 97.5 | Very high | 94.9 | Very high | 21 Ų | 21 | 67.4 Ų | 67.4 | 9% | 0.092 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 151.8 | 170.3 | -65.1 | -92.2 | 0 | 0 | 0 | 109.8 | V111 V124 A126 E134 I137 C144 L146 | V111-F129 HydrophobicContact CB-CD1 3.67Å; V111-F129 HydrophobicContact CB-CE1 3.84Å; V111-F129 HydrophobicContact CG1-CD1 4.21Å; V111-F129 HydrophobicContact CG1-CE1 4.33Å; V111-F129 HydrophobicContact CG2-CD1 4.18Å; V111-F129 HydrophobicContact CG2-CE1 3.84Å; V124-F129 HydrophobicContact CB-CE1 4Å; V124-F129 HydrophobicContact CB-CZ 4.23Å; V124-F129 HydrophobicContact CG1-CE1 3.68Å; V124-F129 HydrophobicContact CG1-CZ 3.97Å; V124-F129 WeakPolarHBondContact O-CZ 3.32Å; A126-F129 HydrophobicContact CB-CE1 4.05Å; A126-F129 HydrophobicContact CB-CE2 3.8Å; A126-F129 HydrophobicContact CB-CZ 3.51Å; F129-E134 HydrophobicContact CB-CG 3.56Å; F129-E134 HydrophobicContact CG-CG 4.21Å; F129-I137 HydrophobicContact CD1-CD1 4.26Å; F129-I137 HydrophobicContact CE1-CD1 4.14Å; F129-C144 HydrophobicContact CD1-CB 4.26Å; F129-C144 HydrophobicContact CD2-CB 4.18Å; F129-C144 HydrophobicContact CE1-CB 4.07Å; F129-C144 HydrophobicContact CE2-CB 3.99Å; F129-C144 HydrophobicContact CG-CB 4.32Å; F129-C144 HydrophobicContact CZ-CB 3.94Å; F129-L146 HydrophobicContact CD2-CD2 3.7Å; F129-L146 HydrophobicContact CE2-CD2 3.95Å |
| 130 | S | 97.8 | Very high | 95.1 | Very high | 28 Ų | 28 | 58.7 Ų | 58.7 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | trans | -86.6 | 151.5 | 162.7 | 74.7 | 0 | 0 | 0 | 0 | 110.2 | V111 G113 K132 A133 E134 | V111-S130 PolarHBondContact O-N 3.21Å; G113-S130 PolarHBondContact N-OG 3.09Å; S130-K132 VanDerWaalsContact C-N 3.29Å; S130-K132 PolarHBondContact O-N 3.49Å; S130-A133 WeakPolarHBondContact O-CA 3.08Å; S130-A133 VanDerWaalsContact O-CB 3.27Å; S130-A133 WeakPolarHBondContact O-CB 3.37Å; S130-A133 PolarHBondContact O-N 3.26Å; S130-A133 PolarHBondContact OG-N 3.25Å; S130-E134 PolarHBondContact O-N 3.43Å; S130-E134 VanDerWaalsContact O-N 3.07Å | ||
| 131 | R | 97.1 | Very high | 95.2 | Very high | 184 Ų | 184 | 60.2 Ų | 60.2 | 69% | 0.694 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -49.5 | -48.5 | 178.5 | -168.5 | -178.7 | 75.8 | -165.1 | 0.3 | 112.9 | A133 E134 E135 | R131-A133 VanDerWaalsContact C-N 3.25Å; R131-A133 PolarHBondContact O-N 3.28Å; R131-E134 PolarHBondContact O-N 3.23Å; R131-E135 WeakPolarHBondContact CG-OE1 3.24Å; R131-E135 IonicContact NE-OE1 3.44Å; R131-E135 PolarHBondContact NE-OE1 3.38Å; R131-E135 WeakPolarHBondContact O-CG 3.39Å; R131-E135 PolarHBondContact O-N 3.11Å |
| 132 | K | 97 | Very high | 95.3 | Very high | 135 Ų | 135 | 58.5 Ų | 58.5 | 59% | 0.587 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.5 | -29 | 176.4 | -68.6 | -172.7 | 177.7 | -177.1 | 0 | 113.7 | S130 K136 | S130-K132 VanDerWaalsContact C-N 3.29Å; S130-K132 PolarHBondContact O-N 3.49Å; K132-K136 WeakPolarHBondContact O-CG 3.3Å; K132-K136 PolarHBondContact O-N 2.85Å |
| 133 | A | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.5 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | L75 V111 S130 R131 K136 I137 | L75-A133 HydrophobicContact CD2-CB 4.32Å; V111-A133 HydrophobicContact CG1-CB 4.26Å; S130-A133 WeakPolarHBondContact O-CA 3.08Å; S130-A133 VanDerWaalsContact O-CB 3.27Å; S130-A133 WeakPolarHBondContact O-CB 3.37Å; S130-A133 PolarHBondContact O-N 3.26Å; S130-A133 PolarHBondContact OG-N 3.25Å; R131-A133 VanDerWaalsContact C-N 3.25Å; R131-A133 PolarHBondContact O-N 3.28Å; A133-K136 PolarHBondContact O-N 3.01Å; A133-I137 WeakPolarHBondContact O-CB 3.5Å; A133-I137 WeakPolarHBondContact O-CD1 3.45Å; A133-I137 VanDerWaalsContact O-CG1 3.25Å; A133-I137 WeakPolarHBondContact O-CG1 3.49Å; A133-I137 PolarHBondContact O-N 3.26Å |
| 134 | E | 96.1 | Very high | 95.5 | Very high | 64 Ų | 64 | 60 Ų | 60 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 178.1 | -63.3 | -176.8 | -170.2 | 0 | 0 | 112.2 | F129 S130 R131 K136 I137 K138 | F129-E134 HydrophobicContact CB-CG 3.56Å; F129-E134 HydrophobicContact CG-CG 4.21Å; S130-E134 PolarHBondContact O-N 3.43Å; S130-E134 VanDerWaalsContact O-N 3.07Å; R131-E134 PolarHBondContact O-N 3.23Å; E134-K136 PolarHBondContact O-N 3.08Å; E134-I137 PolarHBondContact O-N 2.97Å; E134-K138 WeakPolarHBondContact O-CB 3.28Å; E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 3.47Å; E134-K138 PolarHBondContact O-N 3.29Å |
| 135 | E | 96.1 | Very high | 95.5 | Very high | 87 Ų | 87 | 62.5 Ų | 62.5 | 41% | 0.407 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -53 | -52.7 | 176.4 | -73 | 164.3 | -178.7 | 0 | 0 | 110.5 | R131 I137 K138 E139 | R131-E135 WeakPolarHBondContact CG-OE1 3.24Å; R131-E135 IonicContact NE-OE1 3.44Å; R131-E135 PolarHBondContact NE-OE1 3.38Å; R131-E135 WeakPolarHBondContact O-CG 3.39Å; R131-E135 PolarHBondContact O-N 3.11Å; E135-I137 PolarHBondContact O-N 3.21Å; E135-K138 PolarHBondContact O-N 3.37Å; E135-E139 VanDerWaalsContact O-CG 3.31Å; E135-E139 WeakPolarHBondContact O-CG 3.49Å; E135-E139 PolarHBondContact O-N 2.97Å |
| 136 | K | 95.6 | Very high | 95.5 | Very high | 61 Ų | 61 | 65 Ų | 65 | 27% | 0.265 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.8 | -34.1 | -178.7 | -73.5 | 178.9 | 175.6 | -176 | 0 | 114.5 | L75 G113 G115 K132 A133 E134 V140 | L75-K136 HydrophobicContact CD1-CB 3.58Å; L75-K136 HydrophobicContact CD1-CD 3.62Å; L75-K136 HydrophobicContact CD1-CG 4.28Å; G113-K136 PolarHBondContact O-NZ 3.46Å; G115-K136 PolarHBondContact O-NZ 3.14Å; K132-K136 WeakPolarHBondContact O-CG 3.3Å; K132-K136 PolarHBondContact O-N 2.85Å; A133-K136 PolarHBondContact O-N 3.01Å; E134-K136 PolarHBondContact O-N 3.08Å; K136-V140 PolarHBondContact O-N 3.17Å |
| 137 | I | 95.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.7 | -41.9 | 175.6 | -71.4 | 164.1 | 0 | 0 | 0 | 109.3 | L75 L117 V124 F129 A133 E134 E135 V140 G142 C144 | L75-I137 HydrophobicContact CD2-CD1 3.75Å; L75-I137 HydrophobicContact CD2-CG1 3.82Å; L117-I137 HydrophobicContact CD1-CB 4.47Å; L117-I137 HydrophobicContact CD1-CG1 3.7Å; V124-I137 HydrophobicContact CB-CD1 4.24Å; V124-I137 HydrophobicContact CG2-CD1 3.9Å; V124-I137 HydrophobicContact CG2-CG1 4.42Å; F129-I137 HydrophobicContact CD1-CD1 4.26Å; F129-I137 HydrophobicContact CE1-CD1 4.14Å; A133-I137 WeakPolarHBondContact O-CB 3.5Å; A133-I137 WeakPolarHBondContact O-CD1 3.45Å; A133-I137 VanDerWaalsContact O-CG1 3.25Å; A133-I137 WeakPolarHBondContact O-CG1 3.49Å; A133-I137 PolarHBondContact O-N 3.26Å; E134-I137 PolarHBondContact O-N 2.97Å; E135-I137 PolarHBondContact O-N 3.21Å; I137-V140 WeakPolarHBondContact O-CG2 3.31Å; I137-V140 PolarHBondContact O-N 3.5Å; I137-G142 VanDerWaalsContact O-CA 3.23Å; I137-G142 WeakPolarHBondContact O-CA 3.44Å; I137-G142 PolarHBondContact O-N 3.39Å; I137-C144 VanDerWaalsContact CD1-SG 3.52Å |
| 138 | K | 94.5 | Very high | 94.5 | Very high | 128 Ų | 128 | 72.4 Ų | 72.4 | 56% | 0.557 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65.8 | -39.6 | 175.8 | -70 | 171.1 | -177.9 | 173.2 | 0 | 112.1 | E134 E135 V140 G141 | E134-K138 WeakPolarHBondContact O-CB 3.28Å; E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 3.47Å; E134-K138 PolarHBondContact O-N 3.29Å; E135-K138 PolarHBondContact O-N 3.37Å; K138-V140 PolarHBondContact O-N 3.13Å; K138-G141 PolarHBondContact O-N 3.23Å |
| 139 | E | 93.9 | Very high | 94.4 | Very high | 150 Ų | 150 | 70.5 Ų | 70.5 | 70% | 0.701 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -57.7 | -33.6 | 176.6 | -78.9 | 170.2 | -171.2 | 0 | 0 | 113.3 | E135 G141 | E135-E139 VanDerWaalsContact O-CG 3.31Å; E135-E139 WeakPolarHBondContact O-CG 3.49Å; E135-E139 PolarHBondContact O-N 2.97Å; E139-G141 VanDerWaalsContact C-N 3.26Å; E139-G141 PolarHBondContact O-N 2.9Å |
| 140 | V | 91.6 | Very high | 94.2 | Very high | 28 Ų | 28 | 73.1 Ų | 73.1 | 17% | 0.17 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 11.1 | 176.3 | -59.1 | 0 | 0 | 0 | 0 | 113.5 | L117 P121 K136 I137 K138 G142 | L117-V140 HydrophobicContact CB-CG1 4Å; L117-V140 HydrophobicContact CB-CG2 4.22Å; L117-V140 HydrophobicContact CD1-CG2 3.88Å; P121-V140 WeakPolarHBondContact CA-O 3.45Å; K136-V140 PolarHBondContact O-N 3.17Å; I137-V140 WeakPolarHBondContact O-CG2 3.31Å; I137-V140 PolarHBondContact O-N 3.5Å; K138-V140 PolarHBondContact O-N 3.13Å; V140-G142 VanDerWaalsContact C-N 3.3Å |
| 141 | G | 89.9 | Confident | 94 | Very high | 58 Ų | 58 | 75.6 Ų | 75.6 | 60% | 0.598 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 17.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K138 E139 | K138-G141 PolarHBondContact O-N 3.23Å; E139-G141 VanDerWaalsContact C-N 3.26Å; E139-G141 PolarHBondContact O-N 2.9Å |
| 142 | G | 91.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 69.2 Ų | 69.2 | 12% | 0.124 | 39% | 0.393 | C | S | . | . | trans | -88.9 | 173 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V122 I137 V140 | V122-G142 CarbonylContact O-C 3.56Å; V122-G142 WeakPolarHBondContact O-CA 3.29Å; I137-G142 VanDerWaalsContact O-CA 3.23Å; I137-G142 WeakPolarHBondContact O-CA 3.44Å; I137-G142 PolarHBondContact O-N 3.39Å; V140-G142 VanDerWaalsContact C-N 3.3Å | ||
| 143 | A | 94.8 | Very high | 93.6 | Very high | 44 Ų | 44 | 65.1 Ų | 65.1 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V122 I123 V124 | V122-A143 PolarHBondContact O-N 3.15Å; I123-A143 CarbonylContact C-O 3.57Å; I123-A143 WeakPolarHBondContact CA-O 3.42Å; I123-A143 HydrophobicContact CG1-CB 4.33Å; V124-A143 PolarHBondContact N-O 2.87Å |
| 144 | C | 96.1 | Very high | 93.4 | Very high | 34 Ų | 34 | 69.5 Ų | 69.5 | 23% | 0.23 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123 | 172.1 | -61.2 | 0 | 0 | 0 | 0 | 108.9 | F129 I137 | F129-C144 HydrophobicContact CD1-CB 4.26Å; F129-C144 HydrophobicContact CD2-CB 4.18Å; F129-C144 HydrophobicContact CE1-CB 4.07Å; F129-C144 HydrophobicContact CE2-CB 3.99Å; F129-C144 HydrophobicContact CG-CB 4.32Å; F129-C144 HydrophobicContact CZ-CB 3.94Å; I137-C144 VanDerWaalsContact CD1-SG 3.52Å |
| 145 | V | 96.2 | Very high | 93.2 | Very high | 53 Ų | 53 | 69.9 Ų | 69.9 | 32% | 0.321 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 120 | 178.6 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | I123 V124 K125 A126 | I123-V145 HydrophobicContact CG2-CG2 3.71Å; V124-V145 PolarHBondContact O-N 3.17Å; K125-V145 WeakPolarHBondContact CA-O 3.31Å; K125-V145 HydrophobicContact CG-CB 3.89Å; K125-V145 HydrophobicContact CG-CG1 4.07Å; A126-V145 PolarHBondContact N-O 3.07Å; A126-V145 VanDerWaalsContact N-O 3.1Å |
| 146 | L | 95.9 | Very high | 93 | Very high | 119 Ų | 119 | 68.5 Ų | 68.5 | 62% | 0.623 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 137.8 | 176.9 | -68.9 | 171.3 | 0 | 0 | 0 | 110.6 | A126 F129 | A126-L146 CarbonylContact O-C 3.59Å; A126-L146 WeakPolarHBondContact O-CA 3.48Å; F129-L146 HydrophobicContact CD2-CD2 3.7Å; F129-L146 HydrophobicContact CE2-CD2 3.95Å |
| 147 | M | 91.1 | Very high | 92.8 | Very high | 74 Ų | 74 | 69.2 Ų | 69.2 | 37% | 0.365 | 43% | 0.427 | S | S | . | . | trans | -124 | 148 | 178.7 | -65.1 | -71.8 | -64.3 | 0 | 0 | 110 | V104 K125 A126 K127 | V104-M147 HydrophobicContact CG2-CB 4.06Å; V104-M147 HydrophobicContact CG2-CG 4.48Å; K125-M147 HydrophobicContact CB-CG 3.83Å; K125-M147 HydrophobicContact CB-SD 4.4Å; K125-M147 HydrophobicContact CD-SD 4.08Å; K125-M147 HydrophobicContact CG-CG 4.29Å; K125-M147 HydrophobicContact CG-SD 4.29Å; A126-M147 PolarHBondContact O-N 3.06Å; K127-M147 VanDerWaalsContact CA-O 3.32Å; K127-M147 WeakPolarHBondContact CA-O 3.13Å | ||
| 148 | A | 82.4 | Confident | 92.6 | Very high | 130 Ų | 130 | 75.5 Ų | 75.5 | 100% | 1.074 | 47% | 0.466 | S | S | * | . | trans | -80.3 | 0 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | K127 | K127-A148 WeakPolarHBondContact CD-OXT 3.21Å; K127-A148 WeakPolarHBondContact CE-O 3.24Å; K127-A148 VanDerWaalsContact CE-OXT 3.23Å; K127-A148 WeakPolarHBondContact CE-OXT 3.48Å; K127-A148 PolarHBondContact NZ-O 3.46Å; K127-A148 PolarHBondContact NZ-OXT 3.42Å |
Retrieved 148 of 148 residues in 201.4 ms
(Link to these results)