| 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 | 45.8 | Very low | 50.1 | Low | 235 Ų | 235 | 121.8 Ų | 121.8 | 100% | 1.158 | 62% | 0.615 | S | S | * | * | 0 | 33.6 | 0 | -74.4 | -167.6 | -103.9 | 0 | 0 | 113.3 | |||||
| 2 | F | 47.4 | Very low | 50.4 | Low | 183 Ų | 183 | 123.2 Ų | 123.2 | 80% | 0.803 | 61% | 0.614 | S | S | * | * | trans | -118 | 7.4 | -174.2 | -101.2 | -86.5 | 0 | 0 | 0 | 115.1 | ||||
| 3 | W | 44.8 | Very low | 50.8 | Low | 239 Ų | 239 | 122.4 Ų | 122.4 | 91% | 0.905 | 61% | 0.605 | S | S | * | * | trans | -91.1 | -17.5 | -171.2 | -92.9 | 15.6 | 0 | 0 | 0 | 119.2 | V5 | W3-V5 PolarHBondContact O-N 3.42Š| ||
| 4 | P | 57.3 | Low | 51.1 | Low | 100 Ų | 100 | 118.8 Ų | 118.8 | 65% | 0.649 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -80.8 | -17.6 | -175.8 | 29.2 | -30.8 | 0 | 0 | 0 | 114.2 | ||
| 5 | V | 55.6 | Low | 51.3 | Low | 99 Ų | 99 | 119.8 Ų | 119.8 | 60% | 0.6 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -86 | -32.5 | -174.5 | -175.5 | 0 | 0 | 0 | 0 | 112.4 | W3 | W3-V5 PolarHBondContact O-N 3.42Å |
| 6 | F | 47.2 | Very low | 51.3 | Low | 155 Ų | 155 | 122.4 Ų | 122.4 | 68% | 0.68 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74.6 | -39.6 | -177.7 | -96 | -90.4 | 0 | 0 | 0 | 112.9 | A8 L9 F10 | F6-A8 VanDerWaalsContact C-N 3.26Å; F6-A8 PolarHBondContact O-N 2.87Å; F6-L9 PolarHBondContact O-N 3.03Å; F6-L9 VanDerWaalsContact O-N 3.16Å; F6-F10 PolarHBondContact O-N 3.36Å |
| 7 | A | 50.1 | Low | 51.2 | Low | 53 Ų | 53 | 123.2 Ų | 123.2 | 44% | 0.438 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.5 | -37.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L9 F10 F11 | A7-L9 VanDerWaalsContact C-N 3.33Å; A7-L9 PolarHBondContact O-N 2.85Å; A7-F10 PolarHBondContact O-N 3.48Å; A7-F11 WeakPolarHBondContact O-CD2 2.83Å; A7-F11 PolarHBondContact O-N 2.94Å |
| 8 | A | 52 | Low | 51.4 | Low | 60 Ų | 60 | 118.8 Ų | 118.8 | 50% | 0.496 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.9 | -31.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F6 K12 | F6-A8 VanDerWaalsContact C-N 3.26Å; F6-A8 PolarHBondContact O-N 2.87Å; A8-K12 WeakPolarHBondContact O-CB 3.08Å; A8-K12 PolarHBondContact O-N 3.49Å |
| 9 | L | 52.2 | Low | 51.2 | Low | 108 Ų | 108 | 115.6 Ų | 115.6 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -73.7 | -38.1 | 178.3 | -88 | 158.9 | 0 | 0 | 0 | 112 | F6 A7 K12 K13 | F6-L9 PolarHBondContact O-N 3.03Å; F6-L9 VanDerWaalsContact O-N 3.16Å; A7-L9 VanDerWaalsContact C-N 3.33Å; A7-L9 PolarHBondContact O-N 2.85Å; L9-K12 PolarHBondContact O-N 2.65Å; L9-K13 PolarHBondContact O-N 2.83Å |
| 10 | F | 49.6 | Very low | 51.2 | Low | 33 Ų | 33 | 115.1 Ų | 115.1 | 15% | 0.145 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -65.3 | -46.5 | 178.3 | -164.5 | -120.1 | 0 | 0 | 0 | 111.9 | F6 A7 K12 K13 M14 E105 E107 | F6-F10 PolarHBondContact O-N 3.36Å; A7-F10 PolarHBondContact O-N 3.48Å; F10-K12 VanDerWaalsContact C-N 3.29Å; F10-K12 PolarHBondContact O-N 3.38Å; F10-K13 PolarHBondContact O-N 3.39Å; F10-M14 HydrophobicContact CD1-CE 3.77Å; F10-M14 HydrophobicContact CE1-CE 3.05Å; F10-M14 HydrophobicContact CE2-CE 4.31Å; F10-M14 HydrophobicContact CZ-CE 3.37Å; F10-M14 PolarHBondContact O-N 2.87Å; F10-E105 HydrophobicContact CD2-CG 4.41Å; F10-E105 HydrophobicContact CE2-CB 3.83Å; F10-E105 HydrophobicContact CE2-CG 3.34Å; F10-E105 HydrophobicContact CZ-CB 3.94Å; F10-E105 HydrophobicContact CZ-CG 3.67Å; F10-E107 VanDerWaalsContact CE1-OE2 3.23Å; F10-E107 WeakPolarHBondContact CE1-OE2 3.27Å |
| 11 | F | 48.7 | Very low | 51 | Low | 75 Ų | 75 | 114.7 Ų | 114.7 | 33% | 0.329 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -56.8 | -40.1 | 171.1 | -91.9 | -115.5 | 0 | 0 | 0 | 113.5 | A7 K13 K15 D58 | A7-F11 WeakPolarHBondContact O-CD2 2.83Å; A7-F11 PolarHBondContact O-N 2.94Å; F11-K13 VanDerWaalsContact C-N 3.28Å; F11-K13 PolarHBondContact O-N 3.35Å; F11-K15 WeakPolarHBondContact O-CB 3.26Å; F11-K15 WeakPolarHBondContact O-CG 2.86Å; F11-K15 PolarHBondContact O-N 2.84Å; F11-D58 HydrophobicContact CE1-CB 3.99Å; F11-D58 WeakPolarHBondContact CE1-OD1 3.36Å; F11-D58 WeakPolarHBondContact CE1-OD2 2.98Å; F11-D58 HydrophobicContact CZ-CB 3.54Å; F11-D58 WeakPolarHBondContact CZ-OD1 3.39Å |
| 12 | K | 54.6 | Low | 51.3 | Low | 138 Ų | 138 | 107.3 Ų | 107.3 | 60% | 0.6 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.5 | -30 | 178.8 | -133.8 | 171.5 | -175.4 | 175.3 | 0 | 111.5 | A8 L9 F10 R16 | A8-K12 WeakPolarHBondContact O-CB 3.08Å; A8-K12 PolarHBondContact O-N 3.49Å; L9-K12 PolarHBondContact O-N 2.65Å; F10-K12 VanDerWaalsContact C-N 3.29Å; F10-K12 PolarHBondContact O-N 3.38Å; K12-R16 VanDerWaalsContact O-CB 3.25Å; K12-R16 WeakPolarHBondContact O-CB 3.38Å; K12-R16 WeakPolarHBondContact O-CG 3.33Å; K12-R16 PolarHBondContact O-N 3.34Å |
| 13 | K | 54.6 | Low | 51.4 | Low | 113 Ų | 113 | 104.3 Ų | 104.3 | 49% | 0.491 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -78.2 | -42.3 | -179.9 | -157.7 | 177 | 175.2 | -163.6 | 0 | 111.6 | L9 F10 F11 R16 F17 E105 | L9-K13 PolarHBondContact O-N 2.83Å; F10-K13 PolarHBondContact O-N 3.39Å; F11-K13 VanDerWaalsContact C-N 3.28Å; F11-K13 PolarHBondContact O-N 3.35Å; K13-R16 PolarHBondContact O-N 2.97Å; K13-F17 PolarHBondContact O-N 3.28Å; K13-E105 IonicContact NZ-OE1 3.81Å |
| 14 | M | 54.8 | Low | 51.7 | Low | 72 Ų | 72 | 99.2 Ų | 99.2 | 36% | 0.355 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 172.3 | -79.8 | -160.5 | -127.4 | 0 | 0 | 112.7 | F10 R16 F17 A18 | F10-M14 HydrophobicContact CD1-CE 3.77Å; F10-M14 HydrophobicContact CE1-CE 3.05Å; F10-M14 HydrophobicContact CE2-CE 4.31Å; F10-M14 HydrophobicContact CZ-CE 3.37Å; F10-M14 PolarHBondContact O-N 2.87Å; M14-R16 VanDerWaalsContact C-N 3.26Å; M14-R16 PolarHBondContact O-N 2.89Å; M14-F17 PolarHBondContact O-N 3.08Å; M14-A18 WeakPolarHBondContact O-CB 3.42Å; M14-A18 PolarHBondContact O-N 2.91Å |
| 15 | K | 54.5 | Low | 50.9 | Low | 134 Ų | 134 | 97.5 Ų | 97.5 | 58% | 0.583 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62 | -33.8 | 172 | -76 | -177.2 | 178.5 | 177.6 | 0 | 112.3 | F11 S19 | F11-K15 WeakPolarHBondContact O-CB 3.26Å; F11-K15 WeakPolarHBondContact O-CG 2.86Å; F11-K15 PolarHBondContact O-N 2.84Å; K15-S19 WeakPolarHBondContact O-CB 3.44Å; K15-S19 PolarHBondContact O-N 2.97Å; K15-S19 PolarHBondContact O-OG 2.86Å |
| 16 | R | 51.4 | Low | 50.4 | Low | 161 Ų | 161 | 104.1 Ų | 104.1 | 61% | 0.608 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69 | -42 | 173.2 | -85.8 | 179.2 | 170.6 | -179 | -2.8 | 112.4 | K12 K13 M14 S19 I20 | K12-R16 VanDerWaalsContact O-CB 3.25Å; K12-R16 WeakPolarHBondContact O-CB 3.38Å; K12-R16 WeakPolarHBondContact O-CG 3.33Å; K12-R16 PolarHBondContact O-N 3.34Å; K13-R16 PolarHBondContact O-N 2.97Å; M14-R16 VanDerWaalsContact C-N 3.26Å; M14-R16 PolarHBondContact O-N 2.89Å; R16-S19 WeakPolarHBondContact CA-OG 3.21Å; R16-S19 PolarHBondContact O-N 2.92Å; R16-S19 PolarHBondContact O-OG 3.02Å; R16-I20 VanDerWaalsContact O-CB 3.3Å; R16-I20 WeakPolarHBondContact O-CB 3.43Å; R16-I20 WeakPolarHBondContact O-CD1 3.36Å; R16-I20 WeakPolarHBondContact O-CG1 3.47Å; R16-I20 PolarHBondContact O-N 3.17Å |
| 17 | F | 49.8 | Very low | 50 | Low | 137 Ų | 137 | 107.2 Ų | 107.2 | 60% | 0.601 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.1 | -41.8 | 174.8 | -97.4 | -87.2 | 0 | 0 | 0 | 111.9 | K13 M14 S19 I20 L21 | K13-F17 PolarHBondContact O-N 3.28Å; M14-F17 PolarHBondContact O-N 3.08Å; F17-S19 PolarHBondContact O-N 3.5Å; F17-I20 PolarHBondContact O-N 3.09Å; F17-L21 PolarHBondContact O-N 2.92Å; F17-L21 VanDerWaalsContact O-N 3.11Å |
| 18 | A | 54.4 | Low | 49.9 | Very low | 43 Ų | 43 | 110.1 Ų | 110.1 | 36% | 0.355 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64 | -38.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M14 A22 W57 | M14-A18 WeakPolarHBondContact O-CB 3.42Å; M14-A18 PolarHBondContact O-N 2.91Å; A18-A22 WeakPolarHBondContact O-CB 3.13Å; A18-A22 PolarHBondContact O-N 3.13Å; A18-W57 HydrophobicContact CB-CH2 4.13Å |
| 19 | S | 47.9 | Very low | 49.3 | Very low | 58 Ų | 58 | 113.6 Ų | 113.6 | 41% | 0.406 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -74.8 | -32.4 | 177.7 | 72.3 | 0 | 0 | 0 | 0 | 113.8 | K15 R16 F17 L21 A22 T23 | K15-S19 WeakPolarHBondContact O-CB 3.44Å; K15-S19 PolarHBondContact O-N 2.97Å; K15-S19 PolarHBondContact O-OG 2.86Å; R16-S19 WeakPolarHBondContact CA-OG 3.21Å; R16-S19 PolarHBondContact O-N 2.92Å; R16-S19 PolarHBondContact O-OG 3.02Å; F17-S19 PolarHBondContact O-N 3.5Å; S19-L21 VanDerWaalsContact C-N 3.34Å; S19-A22 PolarHBondContact O-N 3.47Å; S19-T23 PolarHBondContact O-N 3.42Å; S19-T23 PolarHBondContact O-OG1 3.29Å |
| 20 | I | 51.8 | Low | 48.9 | Very low | 105 Ų | 105 | 113.5 Ų | 113.5 | 54% | 0.538 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.3 | -38.5 | 176.9 | -72.1 | 163 | 0 | 0 | 0 | 109.5 | R16 F17 | R16-I20 VanDerWaalsContact O-CB 3.3Å; R16-I20 WeakPolarHBondContact O-CB 3.43Å; R16-I20 WeakPolarHBondContact O-CD1 3.36Å; R16-I20 WeakPolarHBondContact O-CG1 3.47Å; R16-I20 PolarHBondContact O-N 3.17Å; F17-I20 PolarHBondContact O-N 3.09Å |
| 21 | L | 46.2 | Very low | 48.4 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 56% | 0.56 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.9 | -36.3 | 171.5 | -75.1 | 163.8 | 0 | 0 | 0 | 112.3 | F17 S19 T23 V24 | F17-L21 PolarHBondContact O-N 2.92Å; F17-L21 VanDerWaalsContact O-N 3.11Å; S19-L21 VanDerWaalsContact C-N 3.34Å; L21-T23 PolarHBondContact O-N 3.39Å; L21-V24 PolarHBondContact O-N 3Å |
| 22 | A | 52.5 | Low | 48.3 | Very low | 80 Ų | 80 | 124.1 Ų | 124.1 | 66% | 0.661 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.3 | -17.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A18 S19 | A18-A22 WeakPolarHBondContact O-CB 3.13Å; A18-A22 PolarHBondContact O-N 3.13Å; S19-A22 PolarHBondContact O-N 3.47Å |
| 23 | T | 49.4 | Very low | 47.8 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 74% | 0.742 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -7.4 | -176.6 | -50.4 | 0 | 0 | 0 | 0 | 113.1 | S19 L21 | S19-T23 PolarHBondContact O-N 3.42Å; S19-T23 PolarHBondContact O-OG1 3.29Å; L21-T23 PolarHBondContact O-N 3.39Å |
| 24 | V | 50.6 | Low | 47.2 | Very low | 131 Ų | 131 | 121.7 Ų | 121.7 | 79% | 0.794 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -110.6 | 35.2 | 176.2 | -167.5 | 0 | 0 | 0 | 0 | 110.9 | L21 | L21-V24 PolarHBondContact O-N 3Š|
| 25 | G | 41.3 | Very low | 46.6 | Very low | 65 Ų | 65 | 125.9 Ų | 125.9 | 67% | 0.67 | 66% | 0.657 | S | S | * | * | trans | -104.4 | 61.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R27 | G25-R27 PolarHBondContact O-N 3.14Š| ||
| 26 | R | 44.6 | Very low | 46.2 | Very low | 238 Ų | 238 | 122.4 Ų | 122.4 | 90% | 0.898 | 65% | 0.654 | S | S | * | * | trans | -70.5 | 101.7 | 172.4 | -162.9 | -179.9 | -82.9 | -153.4 | -0.9 | 108.2 | V28 | R26-V28 PolarHBondContact O-N 3.17Š| ||
| 27 | R | 38.8 | Very low | 46 | Very low | 220 Ų | 220 | 122.4 Ų | 122.4 | 83% | 0.83 | 67% | 0.665 | S | S | * | * | trans | -31.5 | 97.2 | 171.8 | -177.6 | -177 | -88 | 169.9 | -7.8 | 112.8 | G25 | G25-R27 PolarHBondContact O-N 3.14Š| ||
| 28 | V | 47.7 | Very low | 46.1 | Very low | 113 Ų | 113 | 123.7 Ų | 123.7 | 69% | 0.685 | 67% | 0.671 | S | S | * | * | trans | -99.3 | 106.9 | 157.7 | 179 | 0 | 0 | 0 | 0 | 106.5 | R26 N30 | R26-V28 PolarHBondContact O-N 3.17Å; V28-N30 HydrophobicContact CG1-CB 4.39Å; V28-N30 PolarHBondContact O-N 3.31Å | ||
| 29 | N | 40.1 | Very low | 45.9 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 72% | 0.717 | 68% | 0.677 | S | S | * | * | trans | -70.3 | 74.1 | 169.9 | -83.3 | -16.8 | 0 | 0 | 0 | 109.3 | K31 | N29-K31 PolarHBondContact O-N 3.15Š| ||
| 30 | N | 44.4 | Very low | 46.2 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 57% | 0.567 | 69% | 0.687 | S | S | * | * | trans | -84.2 | 97 | 165.5 | -97.4 | 4.8 | 0 | 0 | 0 | 108.5 | V28 H32 | V28-N30 HydrophobicContact CG1-CB 4.39Å; V28-N30 PolarHBondContact O-N 3.31Å; N30-H32 PolarHBondContact ND2-NE2 3.29Å; N30-H32 VanDerWaalsContact ND2-NE2 3.13Å; N30-H32 PolarHBondContact O-N 2.78Å | ||
| 31 | K | 39.3 | Very low | 46.4 | Very low | 201 Ų | 201 | 124.8 Ų | 124.8 | 87% | 0.874 | 67% | 0.674 | S | S | * | * | trans | -66.3 | 75.1 | 159.1 | -65.2 | 179.9 | -178.7 | 177.5 | 0 | 108 | N29 V33 | N29-K31 PolarHBondContact O-N 3.15Å; K31-V33 PolarHBondContact O-N 3.42Å; K31-V33 VanDerWaalsContact O-N 3.17Å | ||
| 32 | H | 45.2 | Very low | 47 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 60% | 0.602 | 68% | 0.676 | S | S | * | * | trans | -75.6 | 101.9 | 163.1 | -81.6 | -71.4 | 0 | 0 | 0 | 107.1 | N30 C34 | N30-H32 PolarHBondContact ND2-NE2 3.29Å; N30-H32 VanDerWaalsContact ND2-NE2 3.13Å; N30-H32 PolarHBondContact O-N 2.78Å; H32-C34 PolarHBondContact O-N 3.37Å; H32-C34 VanDerWaalsContact O-N 3.08Å | ||
| 33 | V | 44.6 | Very low | 47.3 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 67% | 0.667 | 67% | 0.668 | S | S | * | * | trans | -59.2 | 110 | 163.4 | -173.9 | 0 | 0 | 0 | 0 | 106.3 | K31 L35 | K31-V33 PolarHBondContact O-N 3.42Å; K31-V33 VanDerWaalsContact O-N 3.17Å; V33-L35 HydrophobicContact CB-CG 4.34Å; V33-L35 HydrophobicContact CG1-CD1 4.37Å; V33-L35 HydrophobicContact CG1-CD2 3.96Å; V33-L35 HydrophobicContact CG1-CG 3.69Å; V33-L35 PolarHBondContact O-N 3.41Å | ||
| 34 | C | 42.2 | Very low | 47.7 | Very low | 89 Ų | 89 | 122.7 Ų | 122.7 | 60% | 0.601 | 66% | 0.659 | S | S | * | * | trans | -72.5 | 81.8 | 172.5 | -19.6 | 0 | 0 | 0 | 0 | 107.5 | H32 A36 | H32-C34 PolarHBondContact O-N 3.37Å; H32-C34 VanDerWaalsContact O-N 3.08Å; C34-A36 PolarHBondContact O-N 2.66Å | ||
| 35 | L | 42.1 | Very low | 48.5 | Very low | 160 Ų | 160 | 124.1 Ų | 124.1 | 84% | 0.838 | 66% | 0.661 | S | S | * | * | trans | -75.4 | 64.5 | 173.6 | -73.5 | 164.5 | 0 | 0 | 0 | 109.8 | V33 | V33-L35 HydrophobicContact CB-CG 4.34Å; V33-L35 HydrophobicContact CG1-CD1 4.37Å; V33-L35 HydrophobicContact CG1-CD2 3.96Å; V33-L35 HydrophobicContact CG1-CG 3.69Å; V33-L35 PolarHBondContact O-N 3.41Å | ||
| 36 | A | 46.9 | Very low | 50.3 | Low | 62 Ų | 62 | 125.6 Ų | 125.6 | 51% | 0.512 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -176.4 | 111.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | C34 F38 | C34-A36 PolarHBondContact O-N 2.66Å; A36-F38 HydrophobicContact CB-CD2 4.07Å; A36-F38 PolarHBondContact O-N 2.66Å |
| 37 | N | 47.2 | Very low | 52.3 | Low | 160 Ų | 160 | 119.2 Ų | 119.2 | 86% | 0.856 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 35.1 | -175.7 | -105.4 | -5.9 | 0 | 0 | 0 | 115.1 | ||
| 38 | F | 51.6 | Low | 54.6 | Low | 165 Ų | 165 | 111.1 Ų | 111.1 | 72% | 0.724 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -5.5 | -177 | -66.1 | -65.4 | 0 | 0 | 0 | 114.9 | A36 | A36-F38 HydrophobicContact CB-CD2 4.07Å; A36-F38 PolarHBondContact O-N 2.66Å |
| 39 | H | 49 | Very low | 56.6 | Low | 101 Ų | 101 | 109 Ų | 109 | 47% | 0.468 | 60% | 0.597 | S | S | . | * | trans | -109.2 | 133.1 | -179.2 | -156.5 | -105.2 | 0 | 0 | 0 | 111.6 | S41 | H39-S41 PolarHBondContact CE1-O 3.21Å; H39-S41 PolarHBondContact CE1-OG 3.19Å; H39-S41 PolarHBondContact ND1-N 2.84Å; H39-S41 PolarHBondContact ND1-O 3.11Å; H39-S41 PolarHBondContact ND1-OG 3.41Å; H39-S41 PolarHBondContact NE2-OG 3.17Å | ||
| 40 | S | 54.1 | Low | 59 | Low | 88 Ų | 88 | 107 Ų | 107 | 62% | 0.615 | 58% | 0.582 | S | S | * | * | trans | -98.1 | -5.4 | 177.9 | 54.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 41 | S | 55.9 | Low | 61.3 | Low | 39 Ų | 39 | 106.7 Ų | 106.7 | 27% | 0.273 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -108.5 | 153.5 | 174.5 | 27.8 | 0 | 0 | 0 | 0 | 111.9 | H39 C43 K90 | H39-S41 PolarHBondContact CE1-O 3.21Å; H39-S41 PolarHBondContact CE1-OG 3.19Å; H39-S41 PolarHBondContact ND1-N 2.84Å; H39-S41 PolarHBondContact ND1-O 3.11Å; H39-S41 PolarHBondContact ND1-OG 3.41Å; H39-S41 PolarHBondContact NE2-OG 3.17Å; S41-C43 PolarHBondContact O-N 3.43Å; S41-K90 PolarHBondContact OG-NZ 2.98Å |
| 42 | S | 59.8 | Low | 63.8 | Low | 85 Ų | 85 | 97.8 Ų | 97.8 | 59% | 0.594 | 54% | 0.537 | S | S | * | . | trans | -59.1 | 129.3 | 169 | 46.8 | 0 | 0 | 0 | 0 | 109.8 | L44 | S42-L44 VanDerWaalsContact C-N 3.26Å; S42-L44 PolarHBondContact O-N 2.98Å | ||
| 43 | C | 57.8 | Low | 65.9 | Low | 75 Ų | 75 | 94.1 Ų | 94.1 | 51% | 0.507 | 53% | 0.527 | S | S | . | . | trans | -68.5 | 85.1 | 173.7 | -57 | 0 | 0 | 0 | 0 | 109.5 | S41 L45 | S41-C43 PolarHBondContact O-N 3.43Å; C43-L45 PolarHBondContact O-N 3.29Å | ||
| 44 | L | 59.3 | Low | 67.9 | Low | 104 Ų | 104 | 93.4 Ų | 93.4 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | trans | -79.1 | 109.8 | 164 | -63 | 177.8 | 0 | 0 | 0 | 106 | S42 D46 | S42-L44 VanDerWaalsContact C-N 3.26Å; S42-L44 PolarHBondContact O-N 2.98Å; L44-D46 PolarHBondContact O-N 3.02Å | ||
| 45 | L | 66.2 | Low | 70.1 | Confident | 161 Ų | 161 | 93.2 Ų | 93.2 | 84% | 0.843 | 52% | 0.524 | S | S | * | . | trans | -74.1 | 42.2 | 175.4 | -66.2 | 168.7 | 0 | 0 | 0 | 111 | C43 | C43-L45 PolarHBondContact O-N 3.29Š| ||
| 46 | D | 79.6 | Confident | 72.3 | Confident | 97 Ų | 97 | 87.2 Ų | 87.2 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -130.5 | 154.6 | -171.7 | -177.6 | 33.9 | 0 | 0 | 0 | 110.4 | L44 S48 | L44-D46 PolarHBondContact O-N 3.02Å; D46-S48 PolarHBondContact O-N 2.77Å; D46-S48 VanDerWaalsContact OD2-CB 3.24Å; D46-S48 WeakPolarHBondContact OD2-CB 3.25Å; D46-S48 PolarHBondContact OD2-OG 2.85Å |
| 47 | L | 87.5 | Confident | 74 | Confident | 104 Ų | 104 | 88.4 Ų | 88.4 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -76.2 | 2.3 | -179.8 | -63.7 | 176.1 | 0 | 0 | 0 | 112.8 | E49 F50 F51 | L47-E49 PolarHBondContact O-N 2.83Å; L47-F50 HydrophobicContact CD2-CD2 4.2Å; L47-F50 HydrophobicContact CD2-CE2 4.12Å; L47-F50 PolarHBondContact O-N 3Å; L47-F50 VanDerWaalsContact O-N 3.16Å; L47-F51 WeakPolarHBondContact O-CD2 3.33Å; L47-F51 WeakPolarHBondContact O-CE2 3.21Å |
| 48 | S | 86.6 | Confident | 75.6 | Confident | 49 Ų | 49 | 85.1 Ų | 85.1 | 34% | 0.343 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -61.2 | -27 | -178.8 | 39.1 | 0 | 0 | 0 | 0 | 113.8 | D46 F50 F51 | D46-S48 PolarHBondContact O-N 2.77Å; D46-S48 VanDerWaalsContact OD2-CB 3.24Å; D46-S48 WeakPolarHBondContact OD2-CB 3.25Å; D46-S48 PolarHBondContact OD2-OG 2.85Å; S48-F50 PolarHBondContact O-N 3.4Å; S48-F51 PolarHBondContact O-N 3.23Å; S48-F51 VanDerWaalsContact O-N 3.15Å |
| 49 | E | 88.1 | Confident | 77.1 | Confident | 69 Ų | 69 | 81.2 Ų | 81.2 | 32% | 0.322 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -67.6 | -14.7 | 177.3 | -60.7 | -162.3 | 150.2 | 0 | 0 | 113.8 | L47 F51 K90 | L47-E49 PolarHBondContact O-N 2.83Å; E49-F51 VanDerWaalsContact C-N 3.32Å; E49-K90 VanDerWaalsContact CD-NZ 3.25Å; E49-K90 IonicContact OE1-NZ 3.01Å; E49-K90 PolarHBondContact OE1-NZ 3.44Å; E49-K90 WeakPolarHBondContact OE2-CD 3.42Å; E49-K90 IonicContact OE2-NZ 2.84Å; E49-K90 PolarHBondContact OE2-NZ 2.73Å |
| 50 | F | 92.4 | Very high | 78.6 | Confident | 91 Ų | 91 | 84.5 Ų | 84.5 | 40% | 0.399 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -83.4 | -6.5 | 174.9 | -71 | -83 | 0 | 0 | 0 | 113.6 | L47 S48 N93 M94 | L47-F50 HydrophobicContact CD2-CD2 4.2Å; L47-F50 HydrophobicContact CD2-CE2 4.12Å; L47-F50 PolarHBondContact O-N 3Å; L47-F50 VanDerWaalsContact O-N 3.16Å; S48-F50 PolarHBondContact O-N 3.4Å; F50-N93 HydrophobicContact CD1-CB 4.41Å; F50-N93 HydrophobicContact CE1-CB 4.3Å; F50-M94 WeakPolarHBondContact O-CA 3.4Å |
| 51 | F | 92 | Very high | 80.1 | Confident | 100 Ų | 100 | 86 Ų | 86 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -120.9 | 145.8 | -177.6 | -55.2 | -76.6 | 0 | 0 | 0 | 110.2 | L47 S48 E49 T97 | L47-F51 WeakPolarHBondContact O-CD2 3.33Å; L47-F51 WeakPolarHBondContact O-CE2 3.21Å; S48-F51 PolarHBondContact O-N 3.23Å; S48-F51 VanDerWaalsContact O-N 3.15Å; E49-F51 VanDerWaalsContact C-N 3.32Å; F51-T97 HydrophobicContact CD1-CG2 4.41Å; F51-T97 HydrophobicContact CE1-CG2 3.99Å |
| 52 | D | 90.8 | Very high | 81.6 | Confident | 14 Ų | 14 | 84.9 Ų | 84.9 | 8% | 0.075 | 46% | 0.462 | C | S | . | . | trans | -65 | 161.4 | 172.7 | -156.8 | -21.5 | 0 | 0 | 0 | 109.8 | N56 W57 M94 M98 R114 | D52-N56 HydrophobicContact CB-CB 4.45Å; D52-N56 PolarHBondContact OD1-ND2 3.23Å; D52-N56 PolarHBondContact OD2-ND2 3.05Å; D52-W57 PolarHBondContact O-NE1 3.13Å; D52-M94 VanDerWaalsContact CA-SD 3.55Å; D52-M94 HydrophobicContact CB-SD 3.98Å; D52-M98 HydrophobicContact CB-CE 4.33Å; D52-M98 HydrophobicContact CB-SD 3.76Å; D52-R114 IonicContact OD2-CZ 3.01Å; D52-R114 IonicContact OD2-NH1 2.66Å; D52-R114 PolarHBondContact OD2-NH1 3.31Å | ||
| 53 | S | 89.2 | Confident | 83 | Confident | 54 Ų | 54 | 90.6 Ų | 90.6 | 38% | 0.378 | 48% | 0.477 | S | S | . | . | trans | -52.7 | 138.8 | 175.3 | 68.6 | 0 | 0 | 0 | 0 | 110.6 | S55 N56 | S53-S55 PolarHBondContact O-N 3.31Å; S53-N56 PolarHBondContact O-N 3.26Å; S53-N56 VanDerWaalsContact OG-CG 3.29Å; S53-N56 PolarHBondContact OG-ND2 3.21Å | ||
| 54 | P | 88.1 | Confident | 84.6 | Confident | 94 Ų | 94 | 89.1 Ų | 89.1 | 61% | 0.61 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -20.1 | -177.3 | -28.4 | 35.1 | 0 | 0 | 0 | 115.1 | N56 W57 | P54-N56 VanDerWaalsContact C-N 3.28Å; P54-N56 PolarHBondContact O-N 3.46Å; P54-W57 HydrophobicContact CB-CD2 4.4Å; P54-W57 HydrophobicContact CB-CE3 4.5Å; P54-W57 HydrophobicContact CB-CH2 4.3Å; P54-W57 HydrophobicContact CB-CZ2 4.18Å; P54-W57 HydrophobicContact CB-CZ3 4.46Å; P54-W57 HydrophobicContact CG-CH2 4.29Å; P54-W57 HydrophobicContact CG-CZ2 4Å |
| 55 | S | 88.2 | Confident | 86.2 | Confident | 86 Ų | 86 | 87.2 Ų | 87.2 | 60% | 0.601 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -21 | 175.3 | -171.5 | 0 | 0 | 0 | 0 | 113.6 | S53 Q59 | S53-S55 PolarHBondContact O-N 3.31Å; S55-Q59 PolarHBondContact O-NE2 2.98Å |
| 56 | N | 87.2 | Confident | 87.6 | Confident | 34 Ų | 34 | 85.2 Ų | 85.2 | 18% | 0.182 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -11.3 | -174.8 | -67.7 | -14.2 | 0 | 0 | 0 | 113.2 | D52 S53 P54 D58 Q59 V62 | D52-N56 HydrophobicContact CB-CB 4.45Å; D52-N56 PolarHBondContact OD1-ND2 3.23Å; D52-N56 PolarHBondContact OD2-ND2 3.05Å; S53-N56 PolarHBondContact O-N 3.26Å; S53-N56 VanDerWaalsContact OG-CG 3.29Å; S53-N56 PolarHBondContact OG-ND2 3.21Å; P54-N56 VanDerWaalsContact C-N 3.28Å; P54-N56 PolarHBondContact O-N 3.46Å; N56-D58 PolarHBondContact O-N 3.02Å; N56-D58 VanDerWaalsContact O-N 3.11Å; N56-Q59 PolarHBondContact O-N 3.16Å; N56-Q59 VanDerWaalsContact O-N 3.17Å; N56-V62 HydrophobicContact CB-CG2 4.35Å |
| 57 | W | 84.2 | Confident | 88.4 | Confident | 87 Ų | 87 | 82 Ų | 82 | 33% | 0.33 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -28.5 | -175 | -65.2 | -6.2 | 0 | 0 | 0 | 113.4 | A18 D52 P54 | A18-W57 HydrophobicContact CB-CH2 4.13Å; D52-W57 PolarHBondContact O-NE1 3.13Å; P54-W57 HydrophobicContact CB-CD2 4.4Å; P54-W57 HydrophobicContact CB-CE3 4.5Å; P54-W57 HydrophobicContact CB-CH2 4.3Å; P54-W57 HydrophobicContact CB-CZ2 4.18Å; P54-W57 HydrophobicContact CB-CZ3 4.46Å; P54-W57 HydrophobicContact CG-CH2 4.29Å; P54-W57 HydrophobicContact CG-CZ2 4Å |
| 58 | D | 80.1 | Confident | 88.9 | Confident | 91 Ų | 91 | 81.3 Ų | 81.3 | 49% | 0.487 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -6.1 | -172.2 | -52.5 | -15.3 | 0 | 0 | 0 | 112.3 | F11 N56 | F11-D58 HydrophobicContact CE1-CB 3.99Å; F11-D58 WeakPolarHBondContact CE1-OD1 3.36Å; F11-D58 WeakPolarHBondContact CE1-OD2 2.98Å; F11-D58 HydrophobicContact CZ-CB 3.54Å; F11-D58 WeakPolarHBondContact CZ-OD1 3.39Å; N56-D58 PolarHBondContact O-N 3.02Å; N56-D58 VanDerWaalsContact O-N 3.11Å |
| 59 | Q | 83.6 | Confident | 89.4 | Confident | 83 Ų | 83 | 85.1 Ų | 85.1 | 39% | 0.388 | 43% | 0.433 | S | S | . | . | trans | -95.1 | 120.9 | -171.6 | -61.9 | -174.7 | 0.7 | 0 | 0 | 110.7 | S55 N56 V61 V62 | S55-Q59 PolarHBondContact O-NE2 2.98Å; N56-Q59 PolarHBondContact O-N 3.16Å; N56-Q59 VanDerWaalsContact O-N 3.17Å; Q59-V61 VanDerWaalsContact C-N 3.3Å; Q59-V61 PolarHBondContact O-N 3.01Å; Q59-V62 HydrophobicContact CB-CG2 4.5Å | ||
| 60 | Q | 79.7 | Confident | 89.9 | Confident | 170 Ų | 170 | 84.4 Ų | 84.4 | 79% | 0.794 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -69.9 | -29.8 | 173.4 | -68.2 | -172 | -22.6 | 0 | 0 | 112.5 | ||
| 61 | V | 85.7 | Confident | 90.1 | Very high | 118 Ų | 118 | 85.2 Ų | 85.2 | 72% | 0.715 | 43% | 0.434 | S | S | * | . | trans | -121.3 | 101.2 | -178.2 | -175 | 0 | 0 | 0 | 0 | 109.3 | Q59 | Q59-V61 VanDerWaalsContact C-N 3.3Å; Q59-V61 PolarHBondContact O-N 3.01Å | ||
| 62 | V | 87.2 | Confident | 90.4 | Very high | 16 Ų | 16 | 83.9 Ų | 83.9 | 10% | 0.097 | 43% | 0.429 | C | S | . | . | trans | -88.2 | 127.2 | 170.5 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | N56 Q59 T64 | N56-V62 HydrophobicContact CB-CG2 4.35Å; Q59-V62 HydrophobicContact CB-CG2 4.5Å; V62-T64 PolarHBondContact O-N 2.86Å; V62-T64 VanDerWaalsContact O-N 3.14Å | ||
| 63 | K | 88.4 | Confident | 90.7 | Very high | 206 Ų | 206 | 83.2 Ų | 83.2 | 90% | 0.896 | 43% | 0.426 | S | S | * | . | trans | -65.5 | 114.4 | 176.4 | -68.6 | -178.3 | -178.8 | 177.2 | 0 | 109.3 | ||||
| 64 | T | 91.5 | Very high | 91.1 | Very high | 44 Ų | 44 | 85.5 Ų | 85.5 | 27% | 0.27 | 43% | 0.426 | S | S | . | . | trans | -112.4 | 144.3 | 179.5 | 51.4 | 0 | 0 | 0 | 0 | 111 | V62 R114 K117 | V62-T64 PolarHBondContact O-N 2.86Å; V62-T64 VanDerWaalsContact O-N 3.14Å; T64-R114 HydrophobicContact CG2-CB 3.87Å; T64-R114 VanDerWaalsContact CG2-CD 3.5Å; T64-R114 HydrophobicContact CG2-CG 3.52Å; T64-K117 PolarHBondContact OG1-NZ 3.5Å | ||
| 65 | G | 94 | Very high | 91.5 | Very high | 63 Ų | 63 | 88.1 Ų | 88.1 | 65% | 0.649 | 43% | 0.434 | S | S | * | . | trans | -75.5 | -178.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 66 | R | 95.4 | Very high | 92 | Very high | 120 Ų | 120 | 87.8 Ų | 87.8 | 45% | 0.453 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 145.4 | 172.8 | -176.4 | -171.8 | 157.8 | -70.4 | -54.4 | 110.3 | R69 E72 | R66-R69 VanDerWaalsContact NE-CZ 3.33Å; R66-R69 VanDerWaalsContact NH1-CG 3.35Å; R66-R69 VanDerWaalsContact NH2-NE 3.11Å; R66-E72 IonicContact NH1-OE1 3.09Å; R66-E72 PolarHBondContact NH1-OE1 3.25Å; R66-E72 IonicContact NH1-OE2 3.49Å; R66-E72 PolarHBondContact NH1-OE2 3.15Å; R66-E72 VanDerWaalsContact NH1-OE2 3.09Å |
| 67 | P | 97 | Very high | 92.4 | Very high | 29 Ų | 29 | 89.2 Ų | 89.2 | 19% | 0.188 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 154.9 | 174.2 | 28.8 | -35.8 | 0 | 0 | 0 | 112 | R69 K117 I120 S121 | P67-R69 PolarHBondContact O-N 2.89Å; P67-K117 HydrophobicContact CB-CB 4.24Å; P67-K117 WeakPolarHBondContact CB-O 3.45Å; P67-I120 HydrophobicContact CB-CB 4.4Å; P67-I120 HydrophobicContact CB-CG2 4.11Å; P67-I120 HydrophobicContact CG-CG2 4.42Å; P67-S121 WeakPolarHBondContact CA-OG 3.24Å; P67-S121 WeakPolarHBondContact CB-OG 3.44Å |
| 68 | W | 97.8 | Very high | 93 | Very high | 89 Ų | 89 | 89.9 Ų | 89.9 | 34% | 0.337 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -63 | 130.8 | 179.3 | -73.7 | 91.8 | 0 | 0 | 0 | 112.2 | E72 L73 L84 S121 N124 | W68-E72 HydrophobicContact CE3-CB 4.37Å; W68-L73 HydrophobicContact CB-CD1 3.96Å; W68-L73 HydrophobicContact CB-CD2 4.17Å; W68-L73 HydrophobicContact CB-CG 4.14Å; W68-L73 HydrophobicContact CD2-CD2 4.07Å; W68-L73 HydrophobicContact CE3-CD2 3.81Å; W68-L73 HydrophobicContact CE3-CG 4.38Å; W68-L73 HydrophobicContact CG-CD2 4.26Å; W68-L84 HydrophobicContact CD2-CD2 4.05Å; W68-L84 HydrophobicContact CE3-CD2 4.43Å; W68-L84 HydrophobicContact CH2-CD2 4.44Å; W68-L84 HydrophobicContact CZ2-CD1 3.86Å; W68-L84 HydrophobicContact CZ2-CD2 4.06Å; W68-S121 PolarHBondContact N-OG 3.21Å; W68-N124 PolarHBondContact O-ND2 3.33Å |
| 69 | R | 97.8 | Very high | 93.8 | Very high | 129 Ų | 129 | 89.3 Ų | 89.3 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 153.5 | 170.7 | -65.3 | -172.9 | 172.2 | 152 | -0.2 | 111.6 | R66 P67 E71 E72 L73 | R66-R69 VanDerWaalsContact NE-CZ 3.33Å; R66-R69 VanDerWaalsContact NH1-CG 3.35Å; R66-R69 VanDerWaalsContact NH2-NE 3.11Å; P67-R69 PolarHBondContact O-N 2.89Å; R69-E71 VanDerWaalsContact C-N 3.27Å; R69-E71 VanDerWaalsContact CB-OE2 3.31Å; R69-E71 WeakPolarHBondContact CB-OE2 3.3Å; R69-E71 PolarHBondContact O-N 3.21Å; R69-E72 HydrophobicContact CB-CB 4.45Å; R69-E72 HydrophobicContact CB-CG 4.13Å; R69-E72 PolarHBondContact N-OE2 3.26Å; R69-E72 PolarHBondContact O-N 2.82Å; R69-L73 VanDerWaalsContact O-CG 3.26Å; R69-L73 WeakPolarHBondContact O-CG 3.33Å; R69-L73 PolarHBondContact O-N 3.35Å; R69-L73 VanDerWaalsContact O-N 3.13Å |
| 70 | K | 97.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 88.3 Ų | 88.3 | 24% | 0.239 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -59.1 | -39.8 | 169.8 | -63.2 | -165.7 | -74.7 | -169.9 | 0 | 111.7 | E72 L73 R74 N124 E127 V128 | K70-E72 VanDerWaalsContact C-N 3.34Å; K70-E72 PolarHBondContact O-N 2.99Å; K70-L73 PolarHBondContact O-N 3.28Å; K70-R74 VanDerWaalsContact O-CG 3.29Å; K70-R74 WeakPolarHBondContact O-CG 3.09Å; K70-R74 PolarHBondContact O-N 2.88Å; K70-N124 HydrophobicContact CG-CB 3.87Å; K70-E127 HydrophobicContact CD-CG 4.39Å; K70-E127 VanDerWaalsContact CD-OE2 3.25Å; K70-E127 WeakPolarHBondContact CD-OE2 3.45Å; K70-E127 IonicContact NZ-OE1 2.68Å; K70-E127 PolarHBondContact NZ-OE1 2.95Å; K70-E127 IonicContact NZ-OE2 2.88Å; K70-E127 PolarHBondContact NZ-OE2 3.09Å; K70-V128 HydrophobicContact CB-CG2 4.28Å |
| 71 | E | 97.4 | Very high | 95.3 | Very high | 107 Ų | 107 | 80.3 Ų | 80.3 | 50% | 0.5 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 179.4 | -61.8 | 70.7 | -133.7 | 0 | 0 | 112.2 | R69 R74 | R69-E71 VanDerWaalsContact C-N 3.27Å; R69-E71 VanDerWaalsContact CB-OE2 3.31Å; R69-E71 WeakPolarHBondContact CB-OE2 3.3Å; R69-E71 PolarHBondContact O-N 3.21Å; E71-R74 IonicContact OE1-NH1 3.04Å; E71-R74 PolarHBondContact OE1-NH1 3.5Å |
| 72 | E | 97.3 | Very high | 95.8 | Very high | 72 Ų | 72 | 80.1 Ų | 80.1 | 34% | 0.336 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 178.2 | -65.9 | 162 | 172.3 | 0 | 0 | 111.1 | R66 W68 R69 K70 I75 | R66-E72 IonicContact NH1-OE1 3.09Å; R66-E72 PolarHBondContact NH1-OE1 3.25Å; R66-E72 IonicContact NH1-OE2 3.49Å; R66-E72 PolarHBondContact NH1-OE2 3.15Å; R66-E72 VanDerWaalsContact NH1-OE2 3.09Å; W68-E72 HydrophobicContact CE3-CB 4.37Å; R69-E72 HydrophobicContact CB-CB 4.45Å; R69-E72 HydrophobicContact CB-CG 4.13Å; R69-E72 PolarHBondContact N-OE2 3.26Å; R69-E72 PolarHBondContact O-N 2.82Å; K70-E72 VanDerWaalsContact C-N 3.34Å; K70-E72 PolarHBondContact O-N 2.99Å; E72-I75 PolarHBondContact O-N 2.73Å |
| 73 | L | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70.4 | -31.8 | -179.6 | -65.1 | 169.9 | 0 | 0 | 0 | 112.5 | W68 R69 K70 I75 K76 L81 L84 N124 L125 V128 R132 | W68-L73 HydrophobicContact CB-CD1 3.96Å; W68-L73 HydrophobicContact CB-CD2 4.17Å; W68-L73 HydrophobicContact CB-CG 4.14Å; W68-L73 HydrophobicContact CD2-CD2 4.07Å; W68-L73 HydrophobicContact CE3-CD2 3.81Å; W68-L73 HydrophobicContact CE3-CG 4.38Å; W68-L73 HydrophobicContact CG-CD2 4.26Å; R69-L73 VanDerWaalsContact O-CG 3.26Å; R69-L73 WeakPolarHBondContact O-CG 3.33Å; R69-L73 PolarHBondContact O-N 3.35Å; R69-L73 VanDerWaalsContact O-N 3.13Å; K70-L73 PolarHBondContact O-N 3.28Å; L73-I75 PolarHBondContact O-N 3.21Å; L73-K76 PolarHBondContact O-N 2.98Å; L73-K76 VanDerWaalsContact O-N 3.15Å; L73-L81 HydrophobicContact CB-CD2 4.18Å; L73-L81 HydrophobicContact CD2-CD2 3.72Å; L73-L84 HydrophobicContact CD2-CD2 3.55Å; L73-N124 HydrophobicContact CD1-CB 3.91Å; L73-L125 HydrophobicContact CD1-CB 4.17Å; L73-V128 HydrophobicContact CB-CG2 4.09Å; L73-R132 PolarHBondContact O-NH2 3.31Å |
| 74 | R | 97.4 | Very high | 96.6 | Very high | 102 Ų | 102 | 74.3 Ų | 74.3 | 39% | 0.385 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.2 | -26.9 | 176.9 | -77.7 | 177.7 | -168.5 | 125.7 | 0.1 | 113.2 | K70 E71 V128 E131 R132 | K70-R74 VanDerWaalsContact O-CG 3.29Å; K70-R74 WeakPolarHBondContact O-CG 3.09Å; K70-R74 PolarHBondContact O-N 2.88Å; E71-R74 IonicContact OE1-NH1 3.04Å; E71-R74 PolarHBondContact OE1-NH1 3.5Å; R74-V128 HydrophobicContact CG-CG1 4.08Å; R74-V128 HydrophobicContact CG-CG2 3.97Å; R74-E131 IonicContact CZ-OE1 2.86Å; R74-E131 IonicContact CZ-OE2 3.45Å; R74-E131 IonicContact NE-OE2 2.94Å; R74-E131 PolarHBondContact NE-OE2 2.88Å; R74-E131 IonicContact NH2-OE1 3.94Å; R74-E131 PolarHBondContact NH2-OE1 3.43Å; R74-E131 IonicContact NH2-OE2 3.65Å; R74-E131 PolarHBondContact NH2-OE2 2.86Å; R74-R132 PolarHBondContact O-NH2 3.49Å |
| 75 | I | 97.3 | Very high | 96.9 | Very high | 150 Ų | 150 | 76 Ų | 76 | 77% | 0.769 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -78.9 | -21.9 | 178.8 | -58.6 | 165.1 | 0 | 0 | 0 | 111.4 | E72 L73 | E72-I75 PolarHBondContact O-N 2.73Å; L73-I75 PolarHBondContact O-N 3.21Å |
| 76 | K | 97.2 | Very high | 96.9 | Very high | 79 Ų | 79 | 77.8 Ų | 77.8 | 34% | 0.343 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -79.4 | 147.9 | -176 | -60.3 | -54.3 | -162.5 | 153.2 | 0 | 113.2 | L73 D80 L81 R132 | L73-K76 PolarHBondContact O-N 2.98Å; L73-K76 VanDerWaalsContact O-N 3.15Å; K76-D80 HydrophobicContact CB-CB 4.46Å; K76-D80 WeakPolarHBondContact CD-OD2 3.43Å; K76-D80 IonicContact NZ-OD2 3.34Å; K76-D80 PolarHBondContact NZ-OD2 2.94Å; K76-L81 HydrophobicContact CB-CD2 3.84Å; K76-L81 HydrophobicContact CB-CG 4.15Å; K76-L81 HydrophobicContact CG-CD2 4.45Å; K76-R132 PolarHBondContact O-NH1 3.34Å; K76-R132 PolarHBondContact O-NH2 3.11Å |
| 77 | S | 96.7 | Very high | 96.9 | Very high | 63 Ų | 63 | 75.4 Ų | 75.4 | 44% | 0.441 | 36% | 0.363 | S | S | . | . | trans | -68.2 | 156.5 | 173.7 | 67.6 | 0 | 0 | 0 | 0 | 111.5 | S79 D80 L81 | S77-S79 PolarHBondContact O-N 3.44Å; S77-S79 PolarHBondContact OG-OG 3.23Å; S77-S79 VanDerWaalsContact OG-OG 3.05Å; S77-D80 PolarHBondContact O-N 3.2Å; S77-D80 VanDerWaalsContact O-N 3.17Å; S77-D80 WeakPolarHBondContact OG-CB 3.35Å; S77-D80 PolarHBondContact OG-N 3.13Å; S77-L81 WeakPolarHBondContact O-CG 3.33Å; S77-L81 PolarHBondContact O-N 2.84Å | ||
| 78 | N | 96.5 | Very high | 96.9 | Very high | 101 Ų | 101 | 74.7 Ų | 74.7 | 54% | 0.54 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.4 | -32.9 | 176.5 | -72.2 | -22.2 | 0 | 0 | 0 | 112.4 | H82 R132 | N78-H82 WeakPolarHBondContact O-CB 3.31Å; N78-H82 PolarHBondContact O-N 2.82Å; N78-R132 WeakPolarHBondContact OD1-CD 3.4Å; N78-R132 PolarHBondContact OD1-NH1 3.42Å |
| 79 | S | 96.8 | Very high | 96.9 | Very high | 79 Ų | 79 | 72.7 Ų | 72.7 | 55% | 0.552 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67.9 | -37.5 | 176.2 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | S77 K83 | S77-S79 PolarHBondContact O-N 3.44Å; S77-S79 PolarHBondContact OG-OG 3.23Å; S77-S79 VanDerWaalsContact OG-OG 3.05Å; S79-K83 WeakPolarHBondContact O-CG 3.47Å; S79-K83 PolarHBondContact O-N 2.95Å |
| 80 | D | 97 | Very high | 96.7 | Very high | 62 Ų | 62 | 69.3 Ų | 69.3 | 33% | 0.332 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71 | -41.4 | 175.4 | -163.5 | 35.7 | 0 | 0 | 0 | 111.1 | K76 S77 H82 K83 L84 | K76-D80 HydrophobicContact CB-CB 4.46Å; K76-D80 WeakPolarHBondContact CD-OD2 3.43Å; K76-D80 IonicContact NZ-OD2 3.34Å; K76-D80 PolarHBondContact NZ-OD2 2.94Å; S77-D80 PolarHBondContact O-N 3.2Å; S77-D80 VanDerWaalsContact O-N 3.17Å; S77-D80 WeakPolarHBondContact OG-CB 3.35Å; S77-D80 PolarHBondContact OG-N 3.13Å; D80-H82 VanDerWaalsContact C-N 3.32Å; D80-H82 PolarHBondContact O-N 3.45Å; D80-K83 PolarHBondContact O-N 3.16Å; D80-L84 WeakPolarHBondContact O-CB 3.46Å; D80-L84 PolarHBondContact O-N 3.49Å |
| 81 | L | 97.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.4 | -40.8 | 173.8 | -68 | -173.6 | 0 | 0 | 0 | 112.4 | L73 K76 S77 L84 W85 L125 V128 V129 | L73-L81 HydrophobicContact CB-CD2 4.18Å; L73-L81 HydrophobicContact CD2-CD2 3.72Å; K76-L81 HydrophobicContact CB-CD2 3.84Å; K76-L81 HydrophobicContact CB-CG 4.15Å; K76-L81 HydrophobicContact CG-CD2 4.45Å; S77-L81 WeakPolarHBondContact O-CG 3.33Å; S77-L81 PolarHBondContact O-N 2.84Å; L81-L84 PolarHBondContact O-N 3.34Å; L81-W85 PolarHBondContact O-N 3.04Å; L81-L125 HydrophobicContact CD2-CG 4.41Å; L81-V128 HydrophobicContact CD1-CG1 4.17Å; L81-V129 HydrophobicContact CD1-CG2 4.07Å |
| 82 | H | 96.8 | Very high | 96.6 | Very high | 114 Ų | 114 | 68.8 Ų | 68.8 | 53% | 0.528 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 176.7 | -175.7 | -103.5 | 0 | 0 | 0 | 111.7 | N78 D80 W85 F86 | N78-H82 WeakPolarHBondContact O-CB 3.31Å; N78-H82 PolarHBondContact O-N 2.82Å; D80-H82 VanDerWaalsContact C-N 3.32Å; D80-H82 PolarHBondContact O-N 3.45Å; H82-W85 WeakPolarHBondContact O-CB 3.29Å; H82-W85 PolarHBondContact O-N 3.14Å; H82-F86 AromaticContact CE1-CE2 3.52Å; H82-F86 AromaticContact NE2-CE2 3.58Å; H82-F86 VanDerWaalsContact O-CD2 3.27Å; H82-F86 WeakPolarHBondContact O-CD2 3.39Å |
| 83 | K | 95.4 | Very high | 96.5 | Very high | 76 Ų | 76 | 68 Ų | 68 | 33% | 0.33 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 174.2 | -69.5 | 173.7 | -178.1 | -175.9 | 0 | 111.5 | S79 D80 W85 F86 V87 | S79-K83 WeakPolarHBondContact O-CG 3.47Å; S79-K83 PolarHBondContact O-N 2.95Å; D80-K83 PolarHBondContact O-N 3.16Å; K83-W85 VanDerWaalsContact C-N 3.28Å; K83-W85 PolarHBondContact O-N 3.08Å; K83-F86 PolarHBondContact O-N 3.3Å; K83-F86 VanDerWaalsContact O-N 3.16Å; K83-V87 PolarHBondContact O-N 2.84Å; K83-V87 VanDerWaalsContact O-N 3.13Å |
| 84 | L | 96.8 | Very high | 96.4 | Very high | 24 Ų | 24 | 68.7 Ų | 68.7 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.1 | -38.2 | 178.8 | -179.7 | 60.1 | 0 | 0 | 0 | 112 | W68 L73 D80 L81 F86 V87 L88 L125 | W68-L84 HydrophobicContact CD2-CD2 4.05Å; W68-L84 HydrophobicContact CE3-CD2 4.43Å; W68-L84 HydrophobicContact CH2-CD2 4.44Å; W68-L84 HydrophobicContact CZ2-CD1 3.86Å; W68-L84 HydrophobicContact CZ2-CD2 4.06Å; L73-L84 HydrophobicContact CD2-CD2 3.55Å; D80-L84 WeakPolarHBondContact O-CB 3.46Å; D80-L84 PolarHBondContact O-N 3.49Å; L81-L84 PolarHBondContact O-N 3.34Å; L84-F86 VanDerWaalsContact C-N 3.31Å; L84-F86 PolarHBondContact O-N 3.41Å; L84-V87 PolarHBondContact O-N 2.75Å; L84-L88 HydrophobicContact CD1-CD1 4.42Å; L84-L88 HydrophobicContact CD1-CG 4.21Å; L84-L88 HydrophobicContact CG-CD1 4.17Å; L84-L88 HydrophobicContact CG-CG 4.4Å; L84-L88 WeakPolarHBondContact O-CG 3.43Å; L84-L88 PolarHBondContact O-N 3.37Å; L84-L125 HydrophobicContact CB-CD1 4.28Å; L84-L125 HydrophobicContact CD2-CD1 4.14Å; L84-L125 HydrophobicContact CG-CD1 4.07Å |
| 85 | W | 97.1 | Very high | 96.3 | Very high | 80 Ų | 80 | 63.9 Ų | 63.9 | 30% | 0.303 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.2 | -46.1 | 175 | 177.3 | -96.3 | 0 | 0 | 0 | 112 | L81 H82 K83 L88 L89 M122 L125 | L81-W85 PolarHBondContact O-N 3.04Å; H82-W85 WeakPolarHBondContact O-CB 3.29Å; H82-W85 PolarHBondContact O-N 3.14Å; K83-W85 VanDerWaalsContact C-N 3.28Å; K83-W85 PolarHBondContact O-N 3.08Å; W85-L88 PolarHBondContact O-N 3.43Å; W85-L89 VanDerWaalsContact O-CB 3.28Å; W85-L89 WeakPolarHBondContact O-CB 3.13Å; W85-L89 PolarHBondContact O-N 3.16Å; W85-M122 HydrophobicContact CD2-CE 4.24Å; W85-M122 HydrophobicContact CE3-CE 4.08Å; W85-M122 HydrophobicContact CH2-CE 3.43Å; W85-M122 VanDerWaalsContact CH2-CE 3.43Å; W85-M122 HydrophobicContact CZ2-CE 3.57Å; W85-M122 HydrophobicContact CZ3-CB 4.08Å; W85-M122 HydrophobicContact CZ3-CE 3.69Å; W85-M122 HydrophobicContact CZ3-CG 4.43Å; W85-L125 HydrophobicContact CB-CD1 4.2Å; W85-L125 HydrophobicContact CE3-CD1 4.31Å; W85-L125 HydrophobicContact CE3-CD2 3.96Å |
| 86 | F | 95.7 | Very high | 96.2 | Very high | 100 Ų | 100 | 59.8 Ų | 59.8 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.6 | -35.6 | 177.9 | -74.9 | -75.5 | 0 | 0 | 0 | 112.9 | H82 K83 L84 L89 K90 | H82-F86 AromaticContact CE1-CE2 3.52Å; H82-F86 AromaticContact NE2-CE2 3.58Å; H82-F86 VanDerWaalsContact O-CD2 3.27Å; H82-F86 WeakPolarHBondContact O-CD2 3.39Å; K83-F86 PolarHBondContact O-N 3.3Å; K83-F86 VanDerWaalsContact O-N 3.16Å; L84-F86 VanDerWaalsContact C-N 3.31Å; L84-F86 PolarHBondContact O-N 3.41Å; F86-L89 HydrophobicContact CD1-CD2 4.25Å; F86-L89 HydrophobicContact CE1-CD2 4.48Å; F86-L89 PolarHBondContact O-N 2.95Å; F86-K90 WeakPolarHBondContact O-CG 3.23Å; F86-K90 PolarHBondContact O-N 3.21Å |
| 87 | V | 95.4 | Very high | 96 | Very high | 71 Ų | 71 | 58.4 Ų | 58.4 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 173.6 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | K83 L84 L89 K90 E91 | K83-V87 PolarHBondContact O-N 2.84Å; K83-V87 VanDerWaalsContact O-N 3.13Å; L84-V87 PolarHBondContact O-N 2.75Å; V87-L89 VanDerWaalsContact C-N 3.34Å; V87-L89 PolarHBondContact O-N 3.02Å; V87-K90 PolarHBondContact O-N 3.28Å; V87-E91 PolarHBondContact O-N 3.12Å; V87-E91 VanDerWaalsContact O-N 3.15Å |
| 88 | L | 97 | Very high | 95.8 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.8 | -36.2 | 176.8 | -68.9 | 175.2 | 0 | 0 | 0 | 112.3 | L84 W85 E91 R92 M122 L125 | L84-L88 HydrophobicContact CD1-CD1 4.42Å; L84-L88 HydrophobicContact CD1-CG 4.21Å; L84-L88 HydrophobicContact CG-CD1 4.17Å; L84-L88 HydrophobicContact CG-CG 4.4Å; L84-L88 WeakPolarHBondContact O-CG 3.43Å; L84-L88 PolarHBondContact O-N 3.37Å; W85-L88 PolarHBondContact O-N 3.43Å; L88-E91 PolarHBondContact O-N 3.38Å; L88-R92 WeakPolarHBondContact O-CB 3.41Å; L88-R92 PolarHBondContact O-N 3.44Å; L88-M122 HydrophobicContact CB-CG 3.97Å; L88-M122 HydrophobicContact CD1-CG 4.16Å; L88-L125 HydrophobicContact CD1-CD1 4.24Å |
| 89 | L | 96.7 | Very high | 95.7 | Very high | 47 Ų | 47 | 56.4 Ų | 56.4 | 25% | 0.246 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 177.5 | -177.4 | 64.4 | 0 | 0 | 0 | 111.8 | W85 F86 V87 R92 N93 M122 | W85-L89 VanDerWaalsContact O-CB 3.28Å; W85-L89 WeakPolarHBondContact O-CB 3.13Å; W85-L89 PolarHBondContact O-N 3.16Å; F86-L89 HydrophobicContact CD1-CD2 4.25Å; F86-L89 HydrophobicContact CE1-CD2 4.48Å; F86-L89 PolarHBondContact O-N 2.95Å; V87-L89 VanDerWaalsContact C-N 3.34Å; V87-L89 PolarHBondContact O-N 3.02Å; L89-R92 PolarHBondContact O-N 3.02Å; L89-N93 WeakPolarHBondContact O-CB 3.34Å; L89-N93 PolarHBondContact O-N 3.03Å; L89-N93 PolarHBondContact O-OD1 3.43Å; L89-M122 HydrophobicContact CD1-CE 4.34Å |
| 90 | K | 94.7 | Very high | 95.6 | Very high | 57 Ų | 57 | 58.7 Ų | 58.7 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 175 | -73 | -158.3 | -72.2 | 175.4 | 0 | 111.7 | S41 E49 F86 V87 R92 N93 M94 | S41-K90 PolarHBondContact OG-NZ 2.98Å; E49-K90 VanDerWaalsContact CD-NZ 3.25Å; E49-K90 IonicContact OE1-NZ 3.01Å; E49-K90 PolarHBondContact OE1-NZ 3.44Å; E49-K90 WeakPolarHBondContact OE2-CD 3.42Å; E49-K90 IonicContact OE2-NZ 2.84Å; E49-K90 PolarHBondContact OE2-NZ 2.73Å; F86-K90 WeakPolarHBondContact O-CG 3.23Å; F86-K90 PolarHBondContact O-N 3.21Å; V87-K90 PolarHBondContact O-N 3.28Å; K90-R92 PolarHBondContact O-N 2.86Å; K90-N93 PolarHBondContact O-N 3.16Å; K90-M94 WeakPolarHBondContact O-CB 3.32Å; K90-M94 PolarHBondContact O-N 3.42Å |
| 91 | E | 95.2 | Very high | 95.4 | Very high | 53 Ų | 53 | 57.9 Ų | 57.9 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.6 | -48.7 | 174.7 | 179.8 | 72 | -175.4 | 0 | 0 | 111.4 | V87 L88 N93 M94 L95 R114 V118 | V87-E91 PolarHBondContact O-N 3.12Å; V87-E91 VanDerWaalsContact O-N 3.15Å; L88-E91 PolarHBondContact O-N 3.38Å; E91-N93 PolarHBondContact O-N 3.33Å; E91-M94 VanDerWaalsContact CD-CE 3.43Å; E91-M94 HydrophobicContact CG-CE 4.43Å; E91-M94 PolarHBondContact O-N 3.36Å; E91-M94 WeakPolarHBondContact OE2-CE 3.27Å; E91-L95 HydrophobicContact CG-CD1 4.19Å; E91-L95 VanDerWaalsContact O-CG 3.27Å; E91-L95 WeakPolarHBondContact O-CG 3.43Å; E91-L95 PolarHBondContact O-N 2.9Å; E91-R114 IonicContact OE1-CZ 2.92Å; E91-R114 IonicContact OE1-NE 3.41Å; E91-R114 PolarHBondContact OE1-NE 2.89Å; E91-R114 IonicContact OE1-NH2 3.86Å; E91-R114 PolarHBondContact OE1-NH2 2.91Å; E91-R114 IonicContact OE2-NH2 2.66Å; E91-R114 PolarHBondContact OE2-NH2 3.45Å; E91-V118 HydrophobicContact CG-CG2 3.68Å |
| 92 | R | 96.8 | Very high | 95.1 | Very high | 98 Ų | 98 | 58.2 Ų | 58.2 | 37% | 0.37 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 177.2 | -174.8 | -179.2 | 177.6 | -150.2 | 1.8 | 111.8 | L88 L89 K90 L95 L96 L115 V118 M122 | L88-R92 WeakPolarHBondContact O-CB 3.41Å; L88-R92 PolarHBondContact O-N 3.44Å; L89-R92 PolarHBondContact O-N 3.02Å; K90-R92 PolarHBondContact O-N 2.86Å; R92-L95 PolarHBondContact O-N 3.38Å; R92-L96 HydrophobicContact CG-CD1 4.1Å; R92-L96 HydrophobicContact CG-CG 4.45Å; R92-L96 WeakPolarHBondContact O-CG 3.44Å; R92-L96 PolarHBondContact O-N 2.96Å; R92-L115 HydrophobicContact CG-CD1 4.29Å; R92-V118 HydrophobicContact CB-CG1 3.89Å; R92-M122 HydrophobicContact CB-SD 4.4Å |
| 93 | N | 96 | Very high | 95 | Very high | 57 Ų | 57 | 60.9 Ų | 60.9 | 31% | 0.305 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | -178.9 | -71.7 | -8.9 | 0 | 0 | 0 | 111.5 | F50 L89 K90 E91 L95 L96 T97 | F50-N93 HydrophobicContact CD1-CB 4.41Å; F50-N93 HydrophobicContact CE1-CB 4.3Å; L89-N93 WeakPolarHBondContact O-CB 3.34Å; L89-N93 PolarHBondContact O-N 3.03Å; L89-N93 PolarHBondContact O-OD1 3.43Å; K90-N93 PolarHBondContact O-N 3.16Å; E91-N93 PolarHBondContact O-N 3.33Å; N93-L95 VanDerWaalsContact C-N 3.34Å; N93-L95 PolarHBondContact O-N 2.92Å; N93-L96 PolarHBondContact O-N 3.47Å; N93-T97 PolarHBondContact O-N 2.93Å; N93-T97 PolarHBondContact O-OG1 3.38Å; N93-T97 VanDerWaalsContact O-OG1 3.08Å |
| 94 | M | 94.3 | Very high | 95 | Very high | 13 Ų | 13 | 61.8 Ų | 61.8 | 6% | 0.064 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 173.9 | 173.1 | -163.9 | 64.7 | 0 | 0 | 111.7 | F50 D52 K90 E91 T97 M98 | F50-M94 WeakPolarHBondContact O-CA 3.4Å; D52-M94 VanDerWaalsContact CA-SD 3.55Å; D52-M94 HydrophobicContact CB-SD 3.98Å; K90-M94 WeakPolarHBondContact O-CB 3.32Å; K90-M94 PolarHBondContact O-N 3.42Å; E91-M94 VanDerWaalsContact CD-CE 3.43Å; E91-M94 HydrophobicContact CG-CE 4.43Å; E91-M94 PolarHBondContact O-N 3.36Å; E91-M94 WeakPolarHBondContact OE2-CE 3.27Å; M94-T97 WeakPolarHBondContact O-CB 3.43Å; M94-T97 PolarHBondContact O-N 3.44Å; M94-M98 HydrophobicContact CG-SD 4.39Å; M94-M98 WeakPolarHBondContact O-CG 3.28Å; M94-M98 PolarHBondContact O-N 3.19Å |
| 95 | L | 94.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.7 | -39 | 178.9 | -64.8 | 170.7 | 0 | 0 | 0 | 112.7 | E91 R92 N93 T97 M98 E99 F109 R114 L115 V118 | E91-L95 HydrophobicContact CG-CD1 4.19Å; E91-L95 VanDerWaalsContact O-CG 3.27Å; E91-L95 WeakPolarHBondContact O-CG 3.43Å; E91-L95 PolarHBondContact O-N 2.9Å; R92-L95 PolarHBondContact O-N 3.38Å; N93-L95 VanDerWaalsContact C-N 3.34Å; N93-L95 PolarHBondContact O-N 2.92Å; L95-T97 VanDerWaalsContact C-N 3.33Å; L95-M98 PolarHBondContact O-N 3.41Å; L95-E99 WeakPolarHBondContact O-CB 3.45Å; L95-E99 PolarHBondContact O-N 3.49Å; L95-F109 HydrophobicContact CB-CZ 4.4Å; L95-F109 HydrophobicContact CD2-CZ 4.2Å; L95-R114 HydrophobicContact CD1-CB 4.27Å; L95-R114 HydrophobicContact CD1-CG 3.76Å; L95-R114 HydrophobicContact CD2-CB 4.46Å; L95-R114 HydrophobicContact CD2-CG 4.06Å; L95-L115 HydrophobicContact CB-CD1 4.11Å; L95-L115 HydrophobicContact CD1-CD1 4.41Å; L95-V118 HydrophobicContact CD1-CG2 4.13Å |
| 96 | L | 95.7 | Very high | 94.4 | Very high | 65 Ų | 65 | 65.2 Ų | 65.2 | 34% | 0.34 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 175.1 | -71.1 | 172.4 | 0 | 0 | 0 | 111.9 | R92 N93 E99 H100 L115 | R92-L96 HydrophobicContact CG-CD1 4.1Å; R92-L96 HydrophobicContact CG-CG 4.45Å; R92-L96 WeakPolarHBondContact O-CG 3.44Å; R92-L96 PolarHBondContact O-N 2.96Å; N93-L96 PolarHBondContact O-N 3.47Å; L96-E99 PolarHBondContact O-N 3.33Å; L96-H100 WeakPolarHBondContact O-CB 3.43Å; L96-H100 PolarHBondContact O-N 3.46Å; L96-L115 HydrophobicContact CD2-CD1 4.44Å; L96-L115 HydrophobicContact CD2-CD2 4.42Å |
| 97 | T | 94.3 | Very high | 94.1 | Very high | 49 Ų | 49 | 65 Ų | 65 | 30% | 0.301 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 173.1 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | F51 N93 M94 L95 H100 A101 | F51-T97 HydrophobicContact CD1-CG2 4.41Å; F51-T97 HydrophobicContact CE1-CG2 3.99Å; N93-T97 PolarHBondContact O-N 2.93Å; N93-T97 PolarHBondContact O-OG1 3.38Å; N93-T97 VanDerWaalsContact O-OG1 3.08Å; M94-T97 WeakPolarHBondContact O-CB 3.43Å; M94-T97 PolarHBondContact O-N 3.44Å; L95-T97 VanDerWaalsContact C-N 3.33Å; T97-H100 PolarHBondContact O-N 3.15Å; T97-A101 WeakPolarHBondContact O-CB 3.5Å; T97-A101 PolarHBondContact O-N 2.97Å |
| 98 | M | 92.5 | Very high | 93.7 | Very high | 38 Ų | 38 | 69.7 Ų | 69.7 | 19% | 0.187 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66 | -41.8 | 176.8 | -70.8 | 175.7 | 65.9 | 0 | 0 | 112.8 | D52 M94 L95 H100 A101 A102 F109 P110 | D52-M98 HydrophobicContact CB-CE 4.33Å; D52-M98 HydrophobicContact CB-SD 3.76Å; M94-M98 HydrophobicContact CG-SD 4.39Å; M94-M98 WeakPolarHBondContact O-CG 3.28Å; M94-M98 PolarHBondContact O-N 3.19Å; L95-M98 PolarHBondContact O-N 3.41Å; M98-H100 VanDerWaalsContact C-N 3.34Å; M98-A101 PolarHBondContact O-N 3.46Å; M98-A102 WeakPolarHBondContact O-CB 3.37Å; M98-A102 PolarHBondContact O-N 3.47Å; M98-F109 HydrophobicContact CB-CE2 3.73Å; M98-P110 HydrophobicContact CE-CG 4Å |
| 99 | E | 93.7 | Very high | 93.2 | Very high | 84 Ų | 84 | 70.7 Ų | 70.7 | 39% | 0.393 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 176.5 | -176.7 | -173.7 | -160.6 | 0 | 0 | 110.9 | L95 L96 A102 K103 F109 | L95-E99 WeakPolarHBondContact O-CB 3.45Å; L95-E99 PolarHBondContact O-N 3.49Å; L96-E99 PolarHBondContact O-N 3.33Å; E99-A102 PolarHBondContact O-N 3.27Å; E99-K103 WeakPolarHBondContact O-CB 3.37Å; E99-K103 PolarHBondContact O-N 2.86Å; E99-F109 VanDerWaalsContact CA-CD2 3.48Å; E99-F109 HydrophobicContact CB-CD2 3.93Å; E99-F109 HydrophobicContact CB-CE2 3.93Å; E99-F109 HydrophobicContact CB-CG 4.45Å; E99-F109 HydrophobicContact CB-CZ 4.46Å; E99-F109 HydrophobicContact CG-CD2 4.47Å |
| 100 | H | 95.1 | Very high | 92.5 | Very high | 127 Ų | 127 | 70.3 Ų | 70.3 | 59% | 0.588 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.9 | -44.4 | 175.8 | -173.4 | 72.1 | 0 | 0 | 0 | 111.7 | L96 T97 M98 K103 V104 | L96-H100 WeakPolarHBondContact O-CB 3.43Å; L96-H100 PolarHBondContact O-N 3.46Å; T97-H100 PolarHBondContact O-N 3.15Å; M98-H100 VanDerWaalsContact C-N 3.34Å; H100-K103 PolarHBondContact O-N 3.05Å; H100-V104 VanDerWaalsContact O-CG2 3.31Å; H100-V104 WeakPolarHBondContact O-CG2 3.49Å; H100-V104 PolarHBondContact O-N 3.35Å |
| 101 | A | 92.5 | Very high | 92 | Very high | 45 Ų | 45 | 68.7 Ų | 68.7 | 37% | 0.372 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T97 M98 K103 V104 E105 | T97-A101 WeakPolarHBondContact O-CB 3.5Å; T97-A101 PolarHBondContact O-N 2.97Å; M98-A101 PolarHBondContact O-N 3.46Å; A101-K103 VanDerWaalsContact C-N 3.32Å; A101-K103 PolarHBondContact O-N 3.43Å; A101-V104 PolarHBondContact O-N 3.01Å; A101-E105 WeakPolarHBondContact O-CG 3.43Å; A101-E105 PolarHBondContact O-N 3.26Å; A101-E105 VanDerWaalsContact O-N 3.09Å |
| 102 | A | 91.6 | Very high | 91.8 | Very high | 9 Ų | 9 | 69.9 Ų | 69.9 | 7% | 0.074 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | M98 E99 V104 E105 A106 E107 F109 | M98-A102 WeakPolarHBondContact O-CB 3.37Å; M98-A102 PolarHBondContact O-N 3.47Å; E99-A102 PolarHBondContact O-N 3.27Å; A102-V104 PolarHBondContact O-N 3.02Å; A102-E105 CarbonylContact O-C 3.59Å; A102-E105 PolarHBondContact O-N 3.28Å; A102-A106 PolarHBondContact O-N 3.07Å; A102-E107 PolarHBondContact O-N 3.16Å; A102-F109 HydrophobicContact CB-CB 4.44Å; A102-F109 HydrophobicContact CB-CD2 4.47Å |
| 103 | K | 93.5 | Very high | 91.6 | Very high | 171 Ų | 171 | 70.5 Ų | 70.5 | 74% | 0.743 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.4 | -41.6 | 176.8 | -173.6 | 176.3 | -177.1 | 174.5 | 0 | 112.8 | E99 H100 A101 E105 A106 | E99-K103 WeakPolarHBondContact O-CB 3.37Å; E99-K103 PolarHBondContact O-N 2.86Å; H100-K103 PolarHBondContact O-N 3.05Å; A101-K103 VanDerWaalsContact C-N 3.32Å; A101-K103 PolarHBondContact O-N 3.43Å; K103-E105 VanDerWaalsContact C-N 3.3Å; K103-A106 PolarHBondContact O-N 3.07Å |
| 104 | V | 95.7 | Very high | 91.6 | Very high | 94 Ų | 94 | 69.4 Ų | 69.4 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.9 | -39 | 178.5 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | H100 A101 A102 A106 | H100-V104 VanDerWaalsContact O-CG2 3.31Å; H100-V104 WeakPolarHBondContact O-CG2 3.49Å; H100-V104 PolarHBondContact O-N 3.35Å; A101-V104 PolarHBondContact O-N 3.01Å; A102-V104 PolarHBondContact O-N 3.02Å; V104-A106 VanDerWaalsContact C-N 3.26Å; V104-A106 PolarHBondContact O-N 2.98Å |
| 105 | E | 91.6 | Very high | 91.6 | Very high | 81 Ų | 81 | 70.1 Ų | 70.1 | 38% | 0.379 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 4.4 | -177.5 | -60.3 | -78.2 | 172.1 | 0 | 0 | 112.1 | F10 K13 A101 A102 K103 E107 | F10-E105 HydrophobicContact CD2-CG 4.41Å; F10-E105 HydrophobicContact CE2-CB 3.83Å; F10-E105 HydrophobicContact CE2-CG 3.34Å; F10-E105 HydrophobicContact CZ-CB 3.94Å; F10-E105 HydrophobicContact CZ-CG 3.67Å; K13-E105 IonicContact NZ-OE1 3.81Å; A101-E105 WeakPolarHBondContact O-CG 3.43Å; A101-E105 PolarHBondContact O-N 3.26Å; A101-E105 VanDerWaalsContact O-N 3.09Å; A102-E105 CarbonylContact O-C 3.59Å; A102-E105 PolarHBondContact O-N 3.28Å; K103-E105 VanDerWaalsContact C-N 3.3Å; E105-E107 HydrophobicContact CB-CG 4.25Å; E105-E107 PolarHBondContact O-N 2.9Å |
| 106 | A | 90.7 | Very high | 91.6 | Very high | 95 Ų | 95 | 74.2 Ų | 74.2 | 79% | 0.785 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 32.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A102 K103 V104 | A102-A106 PolarHBondContact O-N 3.07Å; K103-A106 PolarHBondContact O-N 3.07Å; V104-A106 VanDerWaalsContact C-N 3.26Å; V104-A106 PolarHBondContact O-N 2.98Å |
| 107 | E | 87.7 | Confident | 91.7 | Very high | 95 Ų | 95 | 73.3 Ų | 73.3 | 44% | 0.444 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -95.9 | 155.9 | 174.5 | -62.3 | -171.2 | 162.4 | 0 | 0 | 111 | F10 A102 E105 | F10-E107 VanDerWaalsContact CE1-OE2 3.23Å; F10-E107 WeakPolarHBondContact CE1-OE2 3.27Å; A102-E107 PolarHBondContact O-N 3.16Å; E105-E107 HydrophobicContact CB-CG 4.25Å; E105-E107 PolarHBondContact O-N 2.9Å |
| 108 | L | 87 | Confident | 91.9 | Very high | 170 Ų | 170 | 71.5 Ų | 71.5 | 89% | 0.89 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -75 | 133.9 | 173.3 | -65.7 | 173.7 | 0 | 0 | 0 | 109.8 | ||
| 109 | F | 86.5 | Confident | 92.1 | Very high | 35 Ų | 35 | 75.2 Ų | 75.2 | 15% | 0.154 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 126.5 | 178.4 | -179.7 | -115.5 | 0 | 0 | 0 | 111.3 | L95 M98 E99 A102 C111 P112 | L95-F109 HydrophobicContact CB-CZ 4.4Å; L95-F109 HydrophobicContact CD2-CZ 4.2Å; M98-F109 HydrophobicContact CB-CE2 3.73Å; E99-F109 VanDerWaalsContact CA-CD2 3.48Å; E99-F109 HydrophobicContact CB-CD2 3.93Å; E99-F109 HydrophobicContact CB-CE2 3.93Å; E99-F109 HydrophobicContact CB-CG 4.45Å; E99-F109 HydrophobicContact CB-CZ 4.46Å; E99-F109 HydrophobicContact CG-CD2 4.47Å; A102-F109 HydrophobicContact CB-CB 4.44Å; A102-F109 HydrophobicContact CB-CD2 4.47Å; F109-C111 PolarHBondContact O-N 2.88Å; F109-P112 HydrophobicContact CD1-CB 4.04Å |
| 110 | P | 82.4 | Confident | 92.3 | Very high | 40 Ų | 40 | 75 Ų | 75 | 26% | 0.26 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -68.2 | 116.4 | 176.3 | 26 | -32.6 | 0 | 0 | 0 | 110.3 | M98 | M98-P110 HydrophobicContact CE-CG 4Š|
| 111 | C | 84.4 | Confident | 92.4 | Very high | 23 Ų | 23 | 69.1 Ų | 69.1 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | trans | 57 | 71.5 | 177 | -162.6 | 0 | 0 | 0 | 0 | 115.4 | F109 E113 R114 | F109-C111 PolarHBondContact O-N 2.88Å; C111-E113 PolarHBondContact O-N 2.68Å; C111-E113 VanDerWaalsContact O-N 3.16Å; C111-R114 WeakPolarHBondContact O-CB 3.46Å; C111-R114 PolarHBondContact O-N 2.94Å | ||
| 112 | P | 90.9 | Very high | 92.7 | Very high | 78 Ų | 78 | 67.6 Ų | 67.6 | 51% | 0.506 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -31.7 | 172.7 | 22.8 | -33.6 | 0 | 0 | 0 | 113.4 | F109 R114 L115 D116 | F109-P112 HydrophobicContact CD1-CB 4.04Å; P112-R114 PolarHBondContact O-N 3.49Å; P112-L115 WeakPolarHBondContact O-CB 3.49Å; P112-L115 PolarHBondContact O-N 2.85Å; P112-D116 PolarHBondContact O-N 3.03Å |
| 113 | E | 93.7 | Very high | 93 | Very high | 111 Ų | 111 | 74 Ų | 74 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -54.9 | -27.5 | 176.4 | -56.3 | -177.3 | -178.5 | 0 | 0 | 113.6 | C111 L115 D116 K117 | C111-E113 PolarHBondContact O-N 2.68Å; C111-E113 VanDerWaalsContact O-N 3.16Å; E113-L115 VanDerWaalsContact C-N 3.31Å; E113-D116 PolarHBondContact O-N 3.43Å; E113-K117 WeakPolarHBondContact O-CB 3.36Å; E113-K117 WeakPolarHBondContact O-CD 3.45Å; E113-K117 WeakPolarHBondContact O-CG 3.25Å; E113-K117 PolarHBondContact O-N 3.49Å; E113-K117 IonicContact OE2-NZ 2.91Å; E113-K117 PolarHBondContact OE2-NZ 2.8Å |
| 114 | R | 95 | Very high | 93.3 | Very high | 34 Ų | 34 | 67.1 Ų | 67.1 | 13% | 0.128 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 179.2 | -167.1 | 173.4 | 174.2 | -178.7 | -1 | 110.7 | D52 T64 E91 L95 C111 P112 K117 V118 | D52-R114 IonicContact OD2-CZ 3.01Å; D52-R114 IonicContact OD2-NH1 2.66Å; D52-R114 PolarHBondContact OD2-NH1 3.31Å; T64-R114 HydrophobicContact CG2-CB 3.87Å; T64-R114 VanDerWaalsContact CG2-CD 3.5Å; T64-R114 HydrophobicContact CG2-CG 3.52Å; E91-R114 IonicContact OE1-CZ 2.92Å; E91-R114 IonicContact OE1-NE 3.41Å; E91-R114 PolarHBondContact OE1-NE 2.89Å; E91-R114 IonicContact OE1-NH2 3.86Å; E91-R114 PolarHBondContact OE1-NH2 2.91Å; E91-R114 IonicContact OE2-NH2 2.66Å; E91-R114 PolarHBondContact OE2-NH2 3.45Å; L95-R114 HydrophobicContact CD1-CB 4.27Å; L95-R114 HydrophobicContact CD1-CG 3.76Å; L95-R114 HydrophobicContact CD2-CB 4.46Å; L95-R114 HydrophobicContact CD2-CG 4.06Å; C111-R114 WeakPolarHBondContact O-CB 3.46Å; C111-R114 PolarHBondContact O-N 2.94Å; P112-R114 PolarHBondContact O-N 3.49Å; R114-K117 PolarHBondContact O-N 3.48Å; R114-V118 WeakPolarHBondContact O-CG2 3.38Å; R114-V118 PolarHBondContact O-N 3.1Å; R114-V118 VanDerWaalsContact O-N 3.12Å |
| 115 | L | 94.6 | Very high | 93.4 | Very high | 27 Ų | 27 | 63 Ų | 63 | 14% | 0.141 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 178.1 | -173.8 | 63 | 0 | 0 | 0 | 110.5 | R92 L95 L96 P112 E113 K117 V118 E119 | R92-L115 HydrophobicContact CG-CD1 4.29Å; L95-L115 HydrophobicContact CB-CD1 4.11Å; L95-L115 HydrophobicContact CD1-CD1 4.41Å; L96-L115 HydrophobicContact CD2-CD1 4.44Å; L96-L115 HydrophobicContact CD2-CD2 4.42Å; P112-L115 WeakPolarHBondContact O-CB 3.49Å; P112-L115 PolarHBondContact O-N 2.85Å; E113-L115 VanDerWaalsContact C-N 3.31Å; L115-K117 VanDerWaalsContact C-N 3.32Å; L115-K117 PolarHBondContact O-N 2.98Å; L115-V118 PolarHBondContact O-N 3.48Å; L115-V118 VanDerWaalsContact O-N 3.16Å; L115-E119 PolarHBondContact O-N 3.27Å |
| 116 | D | 95.8 | Very high | 93.7 | Very high | 88 Ų | 88 | 64.7 Ų | 64.7 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 176.6 | -61.9 | -23.3 | 0 | 0 | 0 | 111.6 | P112 E113 V118 E119 I120 | P112-D116 PolarHBondContact O-N 3.03Å; E113-D116 PolarHBondContact O-N 3.43Å; D116-V118 VanDerWaalsContact C-N 3.33Å; D116-V118 PolarHBondContact O-N 3.31Å; D116-E119 PolarHBondContact O-N 3.35Å; D116-I120 WeakPolarHBondContact O-CB 3.19Å; D116-I120 WeakPolarHBondContact O-CD1 3.47Å; D116-I120 WeakPolarHBondContact O-CG1 3.43Å; D116-I120 PolarHBondContact O-N 3.06Å |
| 117 | K | 97.3 | Very high | 94 | Very high | 46 Ų | 46 | 63.5 Ų | 63.5 | 20% | 0.2 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 177.8 | -71.3 | 163.6 | -168.8 | 167.3 | 0 | 111.9 | T64 P67 E113 R114 L115 S121 | T64-K117 PolarHBondContact OG1-NZ 3.5Å; P67-K117 HydrophobicContact CB-CB 4.24Å; P67-K117 WeakPolarHBondContact CB-O 3.45Å; E113-K117 WeakPolarHBondContact O-CB 3.36Å; E113-K117 WeakPolarHBondContact O-CD 3.45Å; E113-K117 WeakPolarHBondContact O-CG 3.25Å; E113-K117 PolarHBondContact O-N 3.49Å; E113-K117 IonicContact OE2-NZ 2.91Å; E113-K117 PolarHBondContact OE2-NZ 2.8Å; R114-K117 PolarHBondContact O-N 3.48Å; L115-K117 VanDerWaalsContact C-N 3.32Å; L115-K117 PolarHBondContact O-N 2.98Å; K117-S121 WeakPolarHBondContact O-CB 3.44Å; K117-S121 PolarHBondContact O-N 3.42Å; K117-S121 VanDerWaalsContact O-N 3.08Å; K117-S121 PolarHBondContact O-OG 3.33Å |
| 118 | V | 97.2 | Very high | 94.5 | Very high | 10 Ų | 10 | 59 Ų | 59 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.8 | -44.7 | 176.3 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | E91 R92 L95 R114 L115 D116 I120 S121 M122 | E91-V118 HydrophobicContact CG-CG2 3.68Å; R92-V118 HydrophobicContact CB-CG1 3.89Å; L95-V118 HydrophobicContact CD1-CG2 4.13Å; R114-V118 WeakPolarHBondContact O-CG2 3.38Å; R114-V118 PolarHBondContact O-N 3.1Å; R114-V118 VanDerWaalsContact O-N 3.12Å; L115-V118 PolarHBondContact O-N 3.48Å; L115-V118 VanDerWaalsContact O-N 3.16Å; D116-V118 VanDerWaalsContact C-N 3.33Å; D116-V118 PolarHBondContact O-N 3.31Å; V118-I120 PolarHBondContact O-N 3.25Å; V118-S121 WeakPolarHBondContact O-CB 3.3Å; V118-S121 PolarHBondContact O-N 2.89Å; V118-S121 VanDerWaalsContact O-N 3.14Å; V118-M122 HydrophobicContact CG1-CG 4.36Å; V118-M122 HydrophobicContact CG1-SD 4.21Å; V118-M122 WeakPolarHBondContact O-CG 3.46Å; V118-M122 PolarHBondContact O-N 2.95Å |
| 119 | E | 97.3 | Very high | 95 | Very high | 116 Ų | 116 | 53.1 Ų | 53.1 | 54% | 0.542 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 177.7 | -174.7 | 173.2 | -174.3 | 0 | 0 | 112 | L115 D116 S121 M122 K123 | L115-E119 PolarHBondContact O-N 3.27Å; D116-E119 PolarHBondContact O-N 3.35Å; E119-S121 VanDerWaalsContact C-N 3.28Å; E119-S121 PolarHBondContact O-N 3.18Å; E119-M122 PolarHBondContact O-N 3.03Å; E119-K123 WeakPolarHBondContact O-CB 3.34Å; E119-K123 PolarHBondContact O-N 3.46Å |
| 120 | I | 98.1 | Very high | 95.5 | Very high | 80 Ų | 80 | 54.5 Ų | 54.5 | 41% | 0.41 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57 | -44.6 | 173.9 | -69.2 | 164.1 | 0 | 0 | 0 | 110.4 | P67 D116 V118 K123 N124 | P67-I120 HydrophobicContact CB-CB 4.4Å; P67-I120 HydrophobicContact CB-CG2 4.11Å; P67-I120 HydrophobicContact CG-CG2 4.42Å; D116-I120 WeakPolarHBondContact O-CB 3.19Å; D116-I120 WeakPolarHBondContact O-CD1 3.47Å; D116-I120 WeakPolarHBondContact O-CG1 3.43Å; D116-I120 PolarHBondContact O-N 3.06Å; V118-I120 PolarHBondContact O-N 3.25Å; I120-K123 PolarHBondContact O-N 3.44Å; I120-N124 WeakPolarHBondContact O-CB 3.47Å; I120-N124 PolarHBondContact O-N 3.45Å; I120-N124 PolarHBondContact O-ND2 2.91Å |
| 121 | S | 98 | Very high | 96.1 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.028 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 179.6 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | P67 W68 K117 V118 E119 N124 L125 | P67-S121 WeakPolarHBondContact CA-OG 3.24Å; P67-S121 WeakPolarHBondContact CB-OG 3.44Å; W68-S121 PolarHBondContact N-OG 3.21Å; K117-S121 WeakPolarHBondContact O-CB 3.44Å; K117-S121 PolarHBondContact O-N 3.42Å; K117-S121 VanDerWaalsContact O-N 3.08Å; K117-S121 PolarHBondContact O-OG 3.33Å; V118-S121 WeakPolarHBondContact O-CB 3.3Å; V118-S121 PolarHBondContact O-N 2.89Å; V118-S121 VanDerWaalsContact O-N 3.14Å; E119-S121 VanDerWaalsContact C-N 3.28Å; E119-S121 PolarHBondContact O-N 3.18Å; S121-N124 PolarHBondContact O-N 2.84Å; S121-L125 WeakPolarHBondContact O-CB 3.37Å; S121-L125 PolarHBondContact O-N 3.28Å |
| 122 | M | 98.1 | Very high | 96.8 | Very high | 13 Ų | 13 | 57.8 Ų | 57.8 | 6% | 0.064 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 176.9 | -71 | -173.7 | 76.8 | 0 | 0 | 111.6 | W85 L88 L89 R92 V118 E119 L125 Q126 | W85-M122 HydrophobicContact CD2-CE 4.24Å; W85-M122 HydrophobicContact CE3-CE 4.08Å; W85-M122 HydrophobicContact CH2-CE 3.43Å; W85-M122 VanDerWaalsContact CH2-CE 3.43Å; W85-M122 HydrophobicContact CZ2-CE 3.57Å; W85-M122 HydrophobicContact CZ3-CB 4.08Å; W85-M122 HydrophobicContact CZ3-CE 3.69Å; W85-M122 HydrophobicContact CZ3-CG 4.43Å; L88-M122 HydrophobicContact CB-CG 3.97Å; L88-M122 HydrophobicContact CD1-CG 4.16Å; L89-M122 HydrophobicContact CD1-CE 4.34Å; R92-M122 HydrophobicContact CB-SD 4.4Å; V118-M122 HydrophobicContact CG1-CG 4.36Å; V118-M122 HydrophobicContact CG1-SD 4.21Å; V118-M122 WeakPolarHBondContact O-CG 3.46Å; V118-M122 PolarHBondContact O-N 2.95Å; E119-M122 PolarHBondContact O-N 3.03Å; M122-L125 PolarHBondContact O-N 3.25Å; M122-Q126 PolarHBondContact O-N 3.5Å |
| 123 | K | 98.3 | Very high | 97 | Very high | 142 Ų | 142 | 58 Ų | 58 | 62% | 0.617 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.4 | -44.7 | 175.9 | -175.1 | 177.8 | 179.1 | 177.7 | 0 | 111.8 | E119 I120 L125 Q126 E127 | E119-K123 WeakPolarHBondContact O-CB 3.34Å; E119-K123 PolarHBondContact O-N 3.46Å; I120-K123 PolarHBondContact O-N 3.44Å; K123-L125 VanDerWaalsContact C-N 3.33Å; K123-L125 PolarHBondContact O-N 2.86Å; K123-Q126 PolarHBondContact O-N 3.33Å; K123-E127 WeakPolarHBondContact O-CB 3.39Å; K123-E127 PolarHBondContact O-N 2.9Å |
| 124 | N | 98.2 | Very high | 97.2 | Very high | 28 Ų | 28 | 59.2 Ų | 59.2 | 15% | 0.15 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 176.8 | -73 | -15.9 | 0 | 0 | 0 | 111.9 | W68 K70 L73 I120 S121 E127 V128 | W68-N124 PolarHBondContact O-ND2 3.33Å; K70-N124 HydrophobicContact CG-CB 3.87Å; L73-N124 HydrophobicContact CD1-CB 3.91Å; I120-N124 WeakPolarHBondContact O-CB 3.47Å; I120-N124 PolarHBondContact O-N 3.45Å; I120-N124 PolarHBondContact O-ND2 2.91Å; S121-N124 PolarHBondContact O-N 2.84Å; N124-E127 PolarHBondContact O-N 3.29Å; N124-V128 WeakPolarHBondContact O-CG2 3.44Å; N124-V128 PolarHBondContact O-N 3.27Å |
| 125 | L | 98.1 | Very high | 97.3 | Very high | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.5 | -47.3 | 176 | -169.2 | 166.9 | 0 | 0 | 0 | 110.9 | L73 L81 L84 W85 L88 S121 M122 K123 E127 V128 V129 | L73-L125 HydrophobicContact CD1-CB 4.17Å; L81-L125 HydrophobicContact CD2-CG 4.41Å; L84-L125 HydrophobicContact CB-CD1 4.28Å; L84-L125 HydrophobicContact CD2-CD1 4.14Å; L84-L125 HydrophobicContact CG-CD1 4.07Å; W85-L125 HydrophobicContact CB-CD1 4.2Å; W85-L125 HydrophobicContact CE3-CD1 4.31Å; W85-L125 HydrophobicContact CE3-CD2 3.96Å; L88-L125 HydrophobicContact CD1-CD1 4.24Å; S121-L125 WeakPolarHBondContact O-CB 3.37Å; S121-L125 PolarHBondContact O-N 3.28Å; M122-L125 PolarHBondContact O-N 3.25Å; K123-L125 VanDerWaalsContact C-N 3.33Å; K123-L125 PolarHBondContact O-N 2.86Å; L125-E127 VanDerWaalsContact C-N 3.33Å; L125-E127 PolarHBondContact O-N 3Å; L125-V128 PolarHBondContact O-N 3.43Å; L125-V129 HydrophobicContact CD2-CG2 3.95Å; L125-V129 WeakPolarHBondContact O-CG2 3.42Å; L125-V129 PolarHBondContact O-N 2.82Å |
| 126 | Q | 97.5 | Very high | 97.5 | Very high | 116 Ų | 116 | 66 Ų | 66 | 54% | 0.542 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | 176 | -172.9 | -180 | 6.3 | 0 | 0 | 111.6 | M122 K123 V128 V129 S130 | M122-Q126 PolarHBondContact O-N 3.5Å; K123-Q126 PolarHBondContact O-N 3.33Å; Q126-V128 PolarHBondContact O-N 3.23Å; Q126-V129 PolarHBondContact O-N 2.95Å; Q126-S130 WeakPolarHBondContact O-CB 3.39Å; Q126-S130 PolarHBondContact O-N 3.27Å; Q126-S130 PolarHBondContact O-OG 3.41Å |
| 127 | E | 97.8 | Very high | 97.5 | Very high | 70 Ų | 70 | 65 Ų | 65 | 33% | 0.327 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 177.4 | -166.8 | 179.6 | 162.3 | 0 | 0 | 111.4 | K70 K123 N124 L125 V129 S130 E131 | K70-E127 HydrophobicContact CD-CG 4.39Å; K70-E127 VanDerWaalsContact CD-OE2 3.25Å; K70-E127 WeakPolarHBondContact CD-OE2 3.45Å; K70-E127 IonicContact NZ-OE1 2.68Å; K70-E127 PolarHBondContact NZ-OE1 2.95Å; K70-E127 IonicContact NZ-OE2 2.88Å; K70-E127 PolarHBondContact NZ-OE2 3.09Å; K123-E127 WeakPolarHBondContact O-CB 3.39Å; K123-E127 PolarHBondContact O-N 2.9Å; N124-E127 PolarHBondContact O-N 3.29Å; L125-E127 VanDerWaalsContact C-N 3.33Å; L125-E127 PolarHBondContact O-N 3Å; E127-V129 PolarHBondContact O-N 3.48Å; E127-S130 PolarHBondContact O-N 2.98Å; E127-E131 WeakPolarHBondContact O-CB 3.49Å; E127-E131 VanDerWaalsContact O-CG 3.3Å; E127-E131 WeakPolarHBondContact O-CG 3.37Å; E127-E131 PolarHBondContact O-N 3.5Å |
| 128 | V | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 177.5 | 170.8 | 0 | 0 | 0 | 0 | 112.1 | K70 L73 R74 L81 N124 L125 Q126 E131 R132 | K70-V128 HydrophobicContact CB-CG2 4.28Å; L73-V128 HydrophobicContact CB-CG2 4.09Å; R74-V128 HydrophobicContact CG-CG1 4.08Å; R74-V128 HydrophobicContact CG-CG2 3.97Å; L81-V128 HydrophobicContact CD1-CG1 4.17Å; N124-V128 WeakPolarHBondContact O-CG2 3.44Å; N124-V128 PolarHBondContact O-N 3.27Å; L125-V128 PolarHBondContact O-N 3.43Å; Q126-V128 PolarHBondContact O-N 3.23Å; V128-E131 PolarHBondContact O-N 3.1Å; V128-R132 WeakPolarHBondContact O-CG 3.4Å; V128-R132 PolarHBondContact O-N 2.97Å; V128-R132 VanDerWaalsContact O-N 3.1Å |
| 129 | V | 97.4 | Very high | 97.5 | Very high | 47 Ų | 47 | 73.5 Ų | 73.5 | 29% | 0.285 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.1 | -41.8 | 176 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | L81 L125 Q126 E127 R132 N133 | L81-V129 HydrophobicContact CD1-CG2 4.07Å; L125-V129 HydrophobicContact CD2-CG2 3.95Å; L125-V129 WeakPolarHBondContact O-CG2 3.42Å; L125-V129 PolarHBondContact O-N 2.82Å; Q126-V129 PolarHBondContact O-N 2.95Å; E127-V129 PolarHBondContact O-N 3.48Å; V129-R132 PolarHBondContact O-N 3.33Å; V129-N133 WeakPolarHBondContact O-CB 3.48Å; V129-N133 PolarHBondContact O-N 3.08Å |
| 130 | S | 96.4 | Very high | 97.6 | Very high | 64 Ų | 64 | 71 Ų | 71 | 45% | 0.448 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 174.8 | -71.5 | 0 | 0 | 0 | 0 | 112.4 | Q126 E127 R132 N133 R134 | Q126-S130 WeakPolarHBondContact O-CB 3.39Å; Q126-S130 PolarHBondContact O-N 3.27Å; Q126-S130 PolarHBondContact O-OG 3.41Å; E127-S130 PolarHBondContact O-N 2.98Å; S130-R132 PolarHBondContact O-N 3.34Å; S130-N133 PolarHBondContact O-N 3Å; S130-R134 VanDerWaalsContact O-CB 3.22Å; S130-R134 WeakPolarHBondContact O-CB 3.31Å; S130-R134 PolarHBondContact O-N 3.48Å |
| 131 | E | 97 | Very high | 97.4 | Very high | 69 Ų | 69 | 74.2 Ų | 74.2 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -55.4 | -49.2 | 173.2 | -76.5 | 174.7 | -177.4 | 0 | 0 | 110.6 | R74 E127 V128 R134 A135 | R74-E131 IonicContact CZ-OE1 2.86Å; R74-E131 IonicContact CZ-OE2 3.45Å; R74-E131 IonicContact NE-OE2 2.94Å; R74-E131 PolarHBondContact NE-OE2 2.88Å; R74-E131 IonicContact NH2-OE1 3.94Å; R74-E131 PolarHBondContact NH2-OE1 3.43Å; R74-E131 IonicContact NH2-OE2 3.65Å; R74-E131 PolarHBondContact NH2-OE2 2.86Å; E127-E131 WeakPolarHBondContact O-CB 3.49Å; E127-E131 VanDerWaalsContact O-CG 3.3Å; E127-E131 WeakPolarHBondContact O-CG 3.37Å; E127-E131 PolarHBondContact O-N 3.5Å; V128-E131 PolarHBondContact O-N 3.1Å; E131-R134 PolarHBondContact O-N 2.94Å; E131-A135 WeakPolarHBondContact O-CB 3.33Å; E131-A135 PolarHBondContact O-N 3.42Å |
| 132 | R | 97.3 | Very high | 97.3 | Very high | 64 Ų | 64 | 76.9 Ų | 76.9 | 24% | 0.242 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 179.1 | -72.5 | 174.5 | 179.4 | 177.1 | 2.8 | 112.3 | L73 R74 K76 N78 V128 V129 S130 A135 Y136 | L73-R132 PolarHBondContact O-NH2 3.31Å; R74-R132 PolarHBondContact O-NH2 3.49Å; K76-R132 PolarHBondContact O-NH1 3.34Å; K76-R132 PolarHBondContact O-NH2 3.11Å; N78-R132 WeakPolarHBondContact OD1-CD 3.4Å; N78-R132 PolarHBondContact OD1-NH1 3.42Å; V128-R132 WeakPolarHBondContact O-CG 3.4Å; V128-R132 PolarHBondContact O-N 2.97Å; V128-R132 VanDerWaalsContact O-N 3.1Å; V129-R132 PolarHBondContact O-N 3.33Å; S130-R132 PolarHBondContact O-N 3.34Å; R132-A135 PolarHBondContact O-N 3.48Å; R132-Y136 WeakPolarHBondContact O-CB 3.47Å; R132-Y136 PolarHBondContact O-N 3.43Å |
| 133 | N | 96.7 | Very high | 97.1 | Very high | 82 Ų | 82 | 81.3 Ų | 81.3 | 44% | 0.439 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 178.8 | -75.2 | -9 | 0 | 0 | 0 | 110.9 | V129 S130 A135 Y136 F137 | V129-N133 WeakPolarHBondContact O-CB 3.48Å; V129-N133 PolarHBondContact O-N 3.08Å; S130-N133 PolarHBondContact O-N 3Å; N133-A135 VanDerWaalsContact C-N 3.34Å; N133-A135 PolarHBondContact O-N 3.31Å; N133-Y136 PolarHBondContact O-N 3.35Å; N133-F137 HydrophobicContact CB-CD2 4.4Å; N133-F137 HydrophobicContact CB-CE2 4.31Å; N133-F137 WeakPolarHBondContact O-CD2 3.22Å; N133-F137 PolarHBondContact O-N 3.19Å |
| 134 | R | 97.1 | Very high | 96.8 | Very high | 137 Ų | 137 | 76.8 Ų | 76.8 | 52% | 0.517 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 176.7 | 179.6 | 176.7 | 170.9 | -172.4 | -2.3 | 111.6 | S130 E131 F137 L138 T144 | S130-R134 VanDerWaalsContact O-CB 3.22Å; S130-R134 WeakPolarHBondContact O-CB 3.31Å; S130-R134 PolarHBondContact O-N 3.48Å; E131-R134 PolarHBondContact O-N 2.94Å; R134-F137 PolarHBondContact O-N 3.14Å; R134-L138 HydrophobicContact CG-CD1 3.84Å; R134-L138 HydrophobicContact CG-CG 4.41Å; R134-L138 WeakPolarHBondContact O-CB 3.46Å; R134-L138 WeakPolarHBondContact O-CG 3.21Å; R134-L138 PolarHBondContact O-N 3.19Å; R134-T144 HydrophobicContact CG-CG2 4.18Å |
| 135 | A | 97.4 | Very high | 96.5 | Very high | 59 Ų | 59 | 77.2 Ų | 77.2 | 49% | 0.488 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E131 R132 N133 L138 L139 | E131-A135 WeakPolarHBondContact O-CB 3.33Å; E131-A135 PolarHBondContact O-N 3.42Å; R132-A135 PolarHBondContact O-N 3.48Å; N133-A135 VanDerWaalsContact C-N 3.34Å; N133-A135 PolarHBondContact O-N 3.31Å; A135-L138 PolarHBondContact O-N 3.3Å; A135-L139 PolarHBondContact O-N 2.97Å; A135-L139 VanDerWaalsContact O-N 3.1Å |
| 136 | Y | 97.5 | Very high | 96.2 | Very high | 144 Ų | 144 | 83.1 Ų | 83.1 | 57% | 0.565 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.6 | -47.5 | 177 | 174.6 | -99 | 0 | 0 | 0 | 112.4 | R132 N133 L139 T140 | R132-Y136 WeakPolarHBondContact O-CB 3.47Å; R132-Y136 PolarHBondContact O-N 3.43Å; N133-Y136 PolarHBondContact O-N 3.35Å; Y136-L139 PolarHBondContact O-N 3.41Å; Y136-T140 HydrophobicContact CD2-CG2 4.11Å; Y136-T140 HydrophobicContact CE1-CG2 4.36Å; Y136-T140 HydrophobicContact CE2-CG2 3.72Å; Y136-T140 WeakPolarHBondContact O-CB 3.06Å; Y136-T140 WeakPolarHBondContact O-CG2 3.45Å; Y136-T140 PolarHBondContact O-N 2.75Å; Y136-T140 PolarHBondContact O-OG1 2.98Å |
| 137 | F | 97.5 | Very high | 96 | Very high | 68 Ų | 68 | 84 Ų | 84 | 30% | 0.298 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 179.6 | -74 | -64 | 0 | 0 | 0 | 112.7 | N133 R134 L139 T140 K141 G142 H143 | N133-F137 HydrophobicContact CB-CD2 4.4Å; N133-F137 HydrophobicContact CB-CE2 4.31Å; N133-F137 WeakPolarHBondContact O-CD2 3.22Å; N133-F137 PolarHBondContact O-N 3.19Å; R134-F137 PolarHBondContact O-N 3.14Å; F137-L139 VanDerWaalsContact C-N 3.3Å; F137-L139 PolarHBondContact O-N 2.87Å; F137-T140 PolarHBondContact O-N 2.82Å; F137-K141 HydrophobicContact CD1-CG 4.31Å; F137-K141 WeakPolarHBondContact O-CA 3.29Å; F137-K141 WeakPolarHBondContact O-CB 3.34Å; F137-K141 PolarHBondContact O-N 3.42Å; F137-G142 PolarHBondContact O-N 2.96Å; F137-G142 VanDerWaalsContact O-N 3.14Å; F137-H143 CarbonylContact C-O 3.59Å; F137-H143 WeakPolarHBondContact CB-O 3.21Å |
| 138 | L | 97.4 | Very high | 95.8 | Very high | 78 Ų | 78 | 84.5 Ų | 84.5 | 41% | 0.408 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 174.8 | -76.5 | 169.8 | 0 | 0 | 0 | 111.3 | R134 A135 G142 H143 T144 | R134-L138 HydrophobicContact CG-CD1 3.84Å; R134-L138 HydrophobicContact CG-CG 4.41Å; R134-L138 WeakPolarHBondContact O-CB 3.46Å; R134-L138 WeakPolarHBondContact O-CG 3.21Å; R134-L138 PolarHBondContact O-N 3.19Å; A135-L138 PolarHBondContact O-N 3.3Å; L138-G142 VanDerWaalsContact O-CA 3.29Å; L138-G142 WeakPolarHBondContact O-CA 3.43Å; L138-G142 PolarHBondContact O-N 2.92Å; L138-H143 PolarHBondContact N-O 3.49Å; L138-T144 HydrophobicContact CD2-CG2 4.36Å |
| 139 | L | 97.4 | Very high | 95.6 | Very high | 155 Ų | 155 | 89.5 Ų | 89.5 | 81% | 0.812 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -71.1 | -40.8 | 178.5 | -174.8 | 66.8 | 0 | 0 | 0 | 112.9 | A135 Y136 F137 | A135-L139 PolarHBondContact O-N 2.97Å; A135-L139 VanDerWaalsContact O-N 3.1Å; Y136-L139 PolarHBondContact O-N 3.41Å; F137-L139 VanDerWaalsContact C-N 3.3Å; F137-L139 PolarHBondContact O-N 2.87Å |
| 140 | T | 97.3 | Very high | 95.3 | Very high | 65 Ų | 65 | 93.1 Ų | 93.1 | 40% | 0.399 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -90.7 | -34.5 | -171.2 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | Y136 F137 | Y136-T140 HydrophobicContact CD2-CG2 4.11Å; Y136-T140 HydrophobicContact CE1-CG2 4.36Å; Y136-T140 HydrophobicContact CE2-CG2 3.72Å; Y136-T140 WeakPolarHBondContact O-CB 3.06Å; Y136-T140 WeakPolarHBondContact O-CG2 3.45Å; Y136-T140 PolarHBondContact O-N 2.75Å; Y136-T140 PolarHBondContact O-OG1 2.98Å; F137-T140 PolarHBondContact O-N 2.82Å |
| 141 | K | 95.5 | Very high | 95.1 | Very high | 146 Ų | 146 | 97 Ų | 97 | 64% | 0.635 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -118.7 | -18 | -174.7 | -57.3 | -60.5 | -177.7 | -177.9 | 0 | 113.7 | F137 | F137-K141 HydrophobicContact CD1-CG 4.31Å; F137-K141 WeakPolarHBondContact O-CA 3.29Å; F137-K141 WeakPolarHBondContact O-CB 3.34Å; F137-K141 PolarHBondContact O-N 3.42Å |
| 142 | G | 95.6 | Very high | 94.8 | Very high | 60 Ų | 60 | 94.6 Ų | 94.6 | 62% | 0.619 | 46% | 0.463 | S | S | * | . | S | Bend | trans | 81.9 | 7.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F137 L138 | F137-G142 PolarHBondContact O-N 2.96Å; F137-G142 VanDerWaalsContact O-N 3.14Å; L138-G142 VanDerWaalsContact O-CA 3.29Å; L138-G142 WeakPolarHBondContact O-CA 3.43Å; L138-G142 PolarHBondContact O-N 2.92Å |
| 143 | H | 93.5 | Very high | 94.5 | Very high | 107 Ų | 107 | 93.3 Ų | 93.3 | 50% | 0.495 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -134.2 | 165.9 | 177.6 | 62.3 | 57.7 | 0 | 0 | 0 | 111.5 | F137 L138 G145 | F137-H143 CarbonylContact C-O 3.59Å; F137-H143 WeakPolarHBondContact CB-O 3.21Å; L138-H143 PolarHBondContact N-O 3.49Å; H143-G145 VanDerWaalsContact C-N 3.3Å; H143-G145 PolarHBondContact ND1-N 3.25Å; H143-G145 PolarHBondContact O-N 3.29Å |
| 144 | T | 92.8 | Very high | 94.1 | Very high | 47 Ų | 47 | 91.6 Ų | 91.6 | 29% | 0.288 | 45% | 0.453 | S | S | . | . | trans | -69.4 | -21.7 | -173.1 | 55.6 | 0 | 0 | 0 | 0 | 115 | R134 L138 E146 | R134-T144 HydrophobicContact CG-CG2 4.18Å; L138-T144 HydrophobicContact CD2-CG2 4.36Å; T144-E146 PolarHBondContact O-N 3.47Å | ||
| 145 | G | 91.1 | Very high | 93.6 | Very high | 36 Ų | 36 | 91.7 Ų | 91.7 | 37% | 0.371 | 46% | 0.459 | S | S | . | . | trans | 77.9 | 7.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | H143 | H143-G145 VanDerWaalsContact C-N 3.3Å; H143-G145 PolarHBondContact ND1-N 3.25Å; H143-G145 PolarHBondContact O-N 3.29Å | ||
| 146 | E | 92.5 | Very high | 93.1 | Very high | 132 Ų | 132 | 94.1 Ų | 94.1 | 62% | 0.617 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -73.8 | 159.5 | 168.9 | -65 | 177.2 | 179.9 | 0 | 0 | 110.8 | T144 P148 | T144-E146 PolarHBondContact O-N 3.47Å; E146-P148 VanDerWaalsContact O-N 3.16Å |
| 147 | R | 93.8 | Very high | 92.6 | Very high | 135 Ų | 135 | 87.9 Ų | 87.9 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 121.2 | 178 | -176.8 | 175.1 | 178.6 | -170.5 | -6.6 | 110.2 | Y163 L164 T165 | R147-Y163 HydrophobicContact CB-CD1 4.31Å; R147-Y163 HydrophobicContact CG-CD1 4.12Å; R147-L164 VanDerWaalsContact CZ-O 3.26Å; R147-L164 PolarHBondContact NE-O 2.98Å; R147-L164 PolarHBondContact NH2-O 3.28Å; R147-T165 VanDerWaalsContact NH2-CG2 3.31Å |
| 148 | P | 93.1 | Very high | 92.3 | Very high | 79 Ų | 79 | 87.6 Ų | 87.6 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 153.2 | -177.1 | 28.6 | -34.5 | 0 | 0 | 0 | 110.8 | E146 L164 | E146-P148 VanDerWaalsContact O-N 3.16Å; P148-L164 HydrophobicContact CB-CD1 3.96Å; P148-L164 HydrophobicContact CG-CB 4.27Å; P148-L164 HydrophobicContact CG-CD1 3.99Å; P148-L164 PolarHBondContact O-N 3.3Å |
| 149 | W | 93.1 | Very high | 92 | Very high | 105 Ų | 105 | 93.2 Ų | 93.2 | 40% | 0.398 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 157.5 | -175.4 | 58.5 | -93.4 | 0 | 0 | 0 | 110.5 | W151 K161 K162 Y163 | W149-W151 AromaticContact CH2-CE2 3.94Å; W149-W151 HydrophobicContact CH2-CZ2 4.15Å; W149-W151 AromaticContact CH2-NE1 3.64Å; W149-W151 AromaticContact CZ3-CD1 3.68Å; W149-W151 HydrophobicContact CZ3-CD2 4Å; W149-W151 AromaticContact CZ3-CE2 3.52Å; W149-W151 HydrophobicContact CZ3-CG 4.09Å; W149-W151 HydrophobicContact CZ3-CZ2 4.02Å; W149-W151 AromaticContact CZ3-NE1 3.33Å; W149-W151 VanDerWaalsContact CZ3-NE1 3.33Å; W149-K161 HydrophobicContact CB-CG 4.08Å; W149-K161 VanDerWaalsContact CD1-CE 3.42Å; W149-K161 HydrophobicContact CD2-CD 3.7Å; W149-K161 HydrophobicContact CD2-CG 3.82Å; W149-K161 HydrophobicContact CE3-CB 4.45Å; W149-K161 HydrophobicContact CE3-CD 3.79Å; W149-K161 HydrophobicContact CE3-CG 3.6Å; W149-K161 HydrophobicContact CG-CD 4.06Å; W149-K161 HydrophobicContact CG-CG 4.05Å; W149-K161 HydrophobicContact CZ2-CD 4.46Å; W149-K161 HydrophobicContact CZ3-CD 4.22Å; W149-K161 HydrophobicContact CZ3-CG 4.27Å; W149-K162 CarbonylContact C-O 3.59Å; W149-K162 VanDerWaalsContact CA-O 3.22Å; W149-K162 WeakPolarHBondContact CA-O 3.39Å; W149-K162 WeakPolarHBondContact CB-O 3.46Å; W149-Y163 HydrophobicContact CB-CD1 3.84Å; W149-Y163 HydrophobicContact CB-CE1 4.21Å; W149-Y163 HydrophobicContact CB-CG 4.41Å; W149-Y163 HydrophobicContact CG-CE1 4.48Å |
| 150 | R | 91.2 | Very high | 91.8 | Very high | 124 Ų | 124 | 89.3 Ų | 89.3 | 47% | 0.468 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 149.3 | 176.9 | -173.3 | 171.4 | 173.5 | 157.4 | -9.7 | 110.2 | I152 K162 F178 | R150-I152 HydrophobicContact CG-CG1 4.47Å; R150-K162 PolarHBondContact N-O 3Å; R150-K162 PolarHBondContact O-N 3.31Å; R150-F178 VanDerWaalsContact NE-CZ 3.27Å |
| 151 | W | 93 | Very high | 91.6 | Very high | 145 Ų | 145 | 89.8 Ų | 89.8 | 55% | 0.549 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 123.7 | 167.7 | -70.5 | 114.6 | 0 | 0 | 0 | 109.2 | W149 R159 K161 | W149-W151 AromaticContact CH2-CE2 3.94Å; W149-W151 HydrophobicContact CH2-CZ2 4.15Å; W149-W151 AromaticContact CH2-NE1 3.64Å; W149-W151 AromaticContact CZ3-CD1 3.68Å; W149-W151 HydrophobicContact CZ3-CD2 4Å; W149-W151 AromaticContact CZ3-CE2 3.52Å; W149-W151 HydrophobicContact CZ3-CG 4.09Å; W149-W151 HydrophobicContact CZ3-CZ2 4.02Å; W149-W151 AromaticContact CZ3-NE1 3.33Å; W149-W151 VanDerWaalsContact CZ3-NE1 3.33Å; W151-R159 HydrophobicContact CE3-CB 4.36Å; W151-K161 HydrophobicContact CE3-CB 4.21Å; W151-K161 HydrophobicContact CH2-CB 4.25Å; W151-K161 HydrophobicContact CZ3-CB 3.89Å |
| 152 | I | 90.3 | Very high | 91.4 | Very high | 18 Ų | 18 | 88.4 Ų | 88.4 | 9% | 0.092 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 143.6 | 177.9 | -64.6 | 167.3 | 0 | 0 | 0 | 108.1 | R150 R159 V160 K162 F178 | R150-I152 HydrophobicContact CG-CG1 4.47Å; I152-R159 CarbonylContact O-C 3.07Å; I152-R159 WeakPolarHBondContact O-CA 3.39Å; I152-V160 PolarHBondContact N-O 3.01Å; I152-V160 PolarHBondContact O-N 3.04Å; I152-K162 HydrophobicContact CD1-CB 3.64Å; I152-K162 HydrophobicContact CD1-CD 3.39Å; I152-K162 HydrophobicContact CD1-CG 4.09Å; I152-K162 HydrophobicContact CG1-CB 4.43Å; I152-F178 HydrophobicContact CD1-CB 3.45Å; I152-F178 VanDerWaalsContact CD1-CB 3.45Å; I152-F178 HydrophobicContact CD1-CD1 3.91Å; I152-F178 HydrophobicContact CD1-CD2 3.93Å; I152-F178 HydrophobicContact CD1-CG 3.42Å; I152-F178 VanDerWaalsContact CD1-CG 3.42Å; I152-F178 HydrophobicContact CG1-CB 4.28Å; I152-F178 HydrophobicContact CG1-CD2 3.89Å; I152-F178 HydrophobicContact CG1-CG 3.92Å |
| 153 | V | 90.1 | Very high | 91.3 | Very high | 37 Ų | 37 | 91 Ų | 91 | 22% | 0.224 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 126.1 | 173.9 | -178 | 0 | 0 | 0 | 0 | 108.3 | F158 R159 P181 I183 | V153-F158 CarbonylContact C-O 3.56Å; V153-F158 WeakPolarHBondContact CA-O 3.31Å; V153-R159 HydrophobicContact CG2-CG 4.14Å; V153-P181 WeakPolarHBondContact O-CD 3.22Å; V153-P181 VanDerWaalsContact O-CG 3.29Å; V153-P181 WeakPolarHBondContact O-CG 3.44Å; V153-I183 HydrophobicContact CG1-CD1 3.77Å; V153-I183 HydrophobicContact CG1-CG1 4.32Å |
| 154 | N | 89 | Confident | 91.2 | Very high | 46 Ų | 46 | 89.5 Ų | 89.5 | 25% | 0.246 | 41% | 0.413 | C | S | . | . | trans | -78.6 | 175.2 | 173.7 | 72.6 | 1.7 | 0 | 0 | 0 | 111 | F156 G157 F158 V160 P181 | N154-F156 PolarHBondContact O-N 3.35Å; N154-F156 VanDerWaalsContact O-N 3.17Å; N154-F156 WeakPolarHBondContact OD1-CA 3.31Å; N154-F156 PolarHBondContact OD1-N 3.2Å; N154-G157 WeakPolarHBondContact O-CA 3.35Å; N154-G157 PolarHBondContact O-N 2.84Å; N154-G157 PolarHBondContact OD1-N 3.14Å; N154-F158 PolarHBondContact N-O 2.78Å; N154-F158 WeakPolarHBondContact OD1-CA 3.22Å; N154-F158 WeakPolarHBondContact OD1-CB 3.46Å; N154-F158 PolarHBondContact OD1-N 2.91Å; N154-F158 PolarHBondContact OD1-O 3.16Å; N154-V160 HydrophobicContact CB-CG2 4.36Å; N154-P181 VanDerWaalsContact C-CG 3.45Å | ||
| 155 | E | 86.4 | Confident | 91 | Very high | 140 Ų | 140 | 91.3 Ų | 91.3 | 65% | 0.654 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -29.7 | -179.9 | -64.6 | 163.8 | -171.2 | 0 | 0 | 112.9 | G157 P181 A187 | E155-G157 PolarHBondContact O-N 2.96Å; E155-P181 HydrophobicContact CG-CB 3.91Å; E155-P181 HydrophobicContact CG-CG 4.26Å; E155-A187 WeakPolarHBondContact O-CB 3.39Å |
| 156 | F | 86.9 | Confident | 91.1 | Very high | 109 Ų | 109 | 99.1 Ų | 99.1 | 48% | 0.478 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 1.1 | 174.4 | -52.7 | -67.8 | 0 | 0 | 0 | 113.4 | N154 F158 F190 Q191 | N154-F156 PolarHBondContact O-N 3.35Å; N154-F156 VanDerWaalsContact O-N 3.17Å; N154-F156 WeakPolarHBondContact OD1-CA 3.31Å; N154-F156 PolarHBondContact OD1-N 3.2Å; F156-F158 HydrophobicContact CB-CD2 4.01Å; F156-F158 HydrophobicContact CB-CE2 4.25Å; F156-F158 PolarHBondContact O-N 2.88Å; F156-F190 HydrophobicContact CB-CD1 4.04Å; F156-F190 HydrophobicContact CB-CE1 3.97Å; F156-F190 HydrophobicContact CD1-CD1 4.18Å; F156-F190 HydrophobicContact CD1-CE1 4.1Å; F156-F190 HydrophobicContact CG-CD1 4.39Å; F156-F190 HydrophobicContact CG-CE1 4.1Å; F156-Q191 WeakPolarHBondContact O-CG 3.38Å; F156-Q191 PolarHBondContact O-NE2 2.96Å |
| 157 | G | 87.2 | Confident | 90.9 | Very high | 14 Ų | 14 | 99.2 Ų | 99.2 | 14% | 0.144 | 45% | 0.451 | C | S | . | . | S | Bend | trans | 75.8 | 10.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | N154 E155 Q191 | N154-G157 WeakPolarHBondContact O-CA 3.35Å; N154-G157 PolarHBondContact O-N 2.84Å; N154-G157 PolarHBondContact OD1-N 3.14Å; E155-G157 PolarHBondContact O-N 2.96Å; G157-Q191 PolarHBondContact O-NE2 3.44Å |
| 158 | F | 90.7 | Very high | 90.8 | Very high | 61 Ų | 61 | 102.4 Ų | 102.4 | 27% | 0.268 | 47% | 0.472 | S | S | . | . | trans | -80.6 | 138.1 | 172.4 | -62.7 | -53.6 | 0 | 0 | 0 | 111.8 | V153 N154 F156 V160 F190 Q191 W194 | V153-F158 CarbonylContact C-O 3.56Å; V153-F158 WeakPolarHBondContact CA-O 3.31Å; N154-F158 PolarHBondContact N-O 2.78Å; N154-F158 WeakPolarHBondContact OD1-CA 3.22Å; N154-F158 WeakPolarHBondContact OD1-CB 3.46Å; N154-F158 PolarHBondContact OD1-N 2.91Å; N154-F158 PolarHBondContact OD1-O 3.16Å; F156-F158 HydrophobicContact CB-CD2 4.01Å; F156-F158 HydrophobicContact CB-CE2 4.25Å; F156-F158 PolarHBondContact O-N 2.88Å; F158-V160 PolarHBondContact O-N 3.11Å; F158-F190 HydrophobicContact CE2-CD1 4.28Å; F158-F190 AromaticContact CE2-CE1 3.56Å; F158-F190 HydrophobicContact CE2-CE1 3.56Å; F158-F190 HydrophobicContact CE2-CZ 4.42Å; F158-F190 HydrophobicContact CZ-CD1 4.36Å; F158-F190 AromaticContact CZ-CE1 3.93Å; F158-F190 HydrophobicContact CZ-CE1 3.93Å; F158-Q191 HydrophobicContact CD1-CG 4.32Å; F158-Q191 HydrophobicContact CE1-CG 3.87Å; F158-Q191 HydrophobicContact CZ-CG 4.31Å; F158-W194 HydrophobicContact CE1-CG 4.5Å; F158-W194 HydrophobicContact CE2-CD2 4.48Å; F158-W194 HydrophobicContact CZ-CB 4.18Å; F158-W194 AromaticContact CZ-CD2 3.99Å; F158-W194 HydrophobicContact CZ-CD2 3.99Å; F158-W194 AromaticContact CZ-CG 3.79Å; F158-W194 HydrophobicContact CZ-CG 3.79Å | ||
| 159 | R | 92.1 | Very high | 90.8 | Very high | 196 Ų | 196 | 103.7 Ų | 103.7 | 74% | 0.74 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 114.4 | 171.7 | -66.8 | -166.8 | -61.8 | -97.6 | 2.4 | 110.5 | W151 I152 V153 | W151-R159 HydrophobicContact CE3-CB 4.36Å; I152-R159 CarbonylContact O-C 3.07Å; I152-R159 WeakPolarHBondContact O-CA 3.39Å; V153-R159 HydrophobicContact CG2-CG 4.14Å |
| 160 | V | 92 | Very high | 90.6 | Very high | 73 Ų | 73 | 104 Ų | 104 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 142.9 | 178.4 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | I152 N154 F158 K162 | I152-V160 PolarHBondContact N-O 3.01Å; I152-V160 PolarHBondContact O-N 3.04Å; N154-V160 HydrophobicContact CB-CG2 4.36Å; F158-V160 PolarHBondContact O-N 3.11Å; V160-K162 PolarHBondContact O-N 3.02Å |
| 161 | K | 93.7 | Very high | 90.4 | Very high | 75 Ų | 75 | 101.3 Ų | 101.3 | 33% | 0.326 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 110.1 | 173 | 173.7 | 169.9 | 167.6 | 169.1 | 0 | 109 | W149 W151 Y163 | W149-K161 HydrophobicContact CB-CG 4.08Å; W149-K161 VanDerWaalsContact CD1-CE 3.42Å; W149-K161 HydrophobicContact CD2-CD 3.7Å; W149-K161 HydrophobicContact CD2-CG 3.82Å; W149-K161 HydrophobicContact CE3-CB 4.45Å; W149-K161 HydrophobicContact CE3-CD 3.79Å; W149-K161 HydrophobicContact CE3-CG 3.6Å; W149-K161 HydrophobicContact CG-CD 4.06Å; W149-K161 HydrophobicContact CG-CG 4.05Å; W149-K161 HydrophobicContact CZ2-CD 4.46Å; W149-K161 HydrophobicContact CZ3-CD 4.22Å; W149-K161 HydrophobicContact CZ3-CG 4.27Å; W151-K161 HydrophobicContact CE3-CB 4.21Å; W151-K161 HydrophobicContact CH2-CB 4.25Å; W151-K161 HydrophobicContact CZ3-CB 3.89Å; K161-Y163 WeakPolarHBondContact CE-OH 3.35Å |
| 162 | K | 91.5 | Very high | 90.2 | Very high | 117 Ų | 117 | 101.5 Ų | 101.5 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 127.6 | 175 | -164.3 | 179.7 | -173.7 | 178.8 | 0 | 109.7 | W149 R150 I152 V160 | W149-K162 CarbonylContact C-O 3.59Å; W149-K162 VanDerWaalsContact CA-O 3.22Å; W149-K162 WeakPolarHBondContact CA-O 3.39Å; W149-K162 WeakPolarHBondContact CB-O 3.46Å; R150-K162 PolarHBondContact N-O 3Å; R150-K162 PolarHBondContact O-N 3.31Å; I152-K162 HydrophobicContact CD1-CB 3.64Å; I152-K162 HydrophobicContact CD1-CD 3.39Å; I152-K162 HydrophobicContact CD1-CG 4.09Å; I152-K162 HydrophobicContact CG1-CB 4.43Å; V160-K162 PolarHBondContact O-N 3.02Å |
| 163 | Y | 93.5 | Very high | 90.1 | Very high | 115 Ų | 115 | 107.3 Ų | 107.3 | 45% | 0.451 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 134.3 | 173.3 | -68 | -81.4 | 0 | 0 | 0 | 110.4 | R147 W149 K161 | R147-Y163 HydrophobicContact CB-CD1 4.31Å; R147-Y163 HydrophobicContact CG-CD1 4.12Å; W149-Y163 HydrophobicContact CB-CD1 3.84Å; W149-Y163 HydrophobicContact CB-CE1 4.21Å; W149-Y163 HydrophobicContact CB-CG 4.41Å; W149-Y163 HydrophobicContact CG-CE1 4.48Å; K161-Y163 WeakPolarHBondContact CE-OH 3.35Å |
| 164 | L | 90.8 | Very high | 89.9 | Confident | 75 Ų | 75 | 109.5 Ų | 109.5 | 39% | 0.393 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -68.9 | 141.3 | 179.1 | -62.6 | 176.4 | 0 | 0 | 0 | 110.3 | R147 P148 | R147-L164 VanDerWaalsContact CZ-O 3.26Å; R147-L164 PolarHBondContact NE-O 2.98Å; R147-L164 PolarHBondContact NH2-O 3.28Å; P148-L164 HydrophobicContact CB-CD1 3.96Å; P148-L164 HydrophobicContact CG-CB 4.27Å; P148-L164 HydrophobicContact CG-CD1 3.99Å; P148-L164 PolarHBondContact O-N 3.3Å |
| 165 | T | 90 | Very high | 89.5 | Confident | 85 Ų | 85 | 112 Ų | 112 | 52% | 0.521 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -101 | 152.7 | 174.3 | 39.8 | 0 | 0 | 0 | 0 | 109.9 | R147 H167 | R147-T165 VanDerWaalsContact NH2-CG2 3.31Å; T165-H167 PolarHBondContact O-CD2 3.46Å; T165-H167 PolarHBondContact OG1-NE2 2.93Å |
| 166 | E | 91.7 | Very high | 88.9 | Confident | 200 Ų | 200 | 110.1 Ų | 110.1 | 94% | 0.935 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 137.9 | 170.5 | -65.7 | 173.3 | -169.9 | 0 | 0 | 108.6 | ||
| 167 | H | 88.5 | Confident | 88.1 | Confident | 134 Ų | 134 | 108.8 Ų | 108.8 | 62% | 0.62 | 57% | 0.571 | S | S | * | * | trans | -126.7 | 144.7 | 178.2 | -64.2 | -88.8 | 0 | 0 | 0 | 108.7 | T165 | T165-H167 PolarHBondContact O-CD2 3.46Å; T165-H167 PolarHBondContact OG1-NE2 2.93Å | ||
| 168 | E | 92.8 | Very high | 87.4 | Confident | 203 Ų | 203 | 108.9 Ų | 108.9 | 95% | 0.949 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -71.9 | -35.9 | 179.6 | -62.7 | -175 | 165.2 | 0 | 0 | 112.2 | ||
| 169 | T | 91.6 | Very high | 86.5 | Confident | 106 Ų | 106 | 113.5 Ų | 113.5 | 65% | 0.65 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -117.7 | 148.3 | -179.3 | 49.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 170 | P | 89.6 | Confident | 85.7 | Confident | 110 Ų | 110 | 110 Ų | 110 | 71% | 0.714 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 156.1 | 172 | 29.3 | -34.6 | 0 | 0 | 0 | 110.5 | ||
| 171 | P | 87.6 | Confident | 85.1 | Confident | 69 Ų | 69 | 108.3 Ų | 108.3 | 45% | 0.448 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 142.3 | 171.6 | -17 | 26.9 | 0 | 0 | 0 | 110.6 | E175 P177 | P171-E175 HydrophobicContact CB-CB 4.5Å; P171-E175 WeakPolarHBondContact CB-O 3.35Å; P171-P177 HydrophobicContact CG-CB 4.37Å; P171-P177 HydrophobicContact CG-CG 3.81Å |
| 172 | K | 88.7 | Confident | 84.4 | Confident | 148 Ų | 148 | 114.5 Ų | 114.5 | 64% | 0.643 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 153.1 | 175.4 | -65.7 | 173.1 | -172.6 | 159.3 | 0 | 109.7 | G174 E175 | K172-G174 PolarHBondContact O-N 3.39Å; K172-E175 HydrophobicContact CB-CB 4.14Å; K172-E175 WeakPolarHBondContact O-CB 3.49Å; K172-E175 PolarHBondContact O-N 2.92Å |
| 173 | P | 88.9 | Confident | 84 | Confident | 140 Ų | 140 | 110.8 Ų | 110.8 | 91% | 0.909 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | 117.6 | 172.5 | -24.5 | 34.1 | 0 | 0 | 0 | 110.8 | ||
| 174 | G | 84.4 | Confident | 83.6 | Confident | 84 Ų | 84 | 107.6 Ų | 107.6 | 87% | 0.866 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.5 | -12.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | K172 | K172-G174 PolarHBondContact O-N 3.39Š|
| 175 | E | 81.1 | Confident | 83.6 | Confident | 97 Ų | 97 | 109.9 Ų | 109.9 | 45% | 0.453 | 59% | 0.587 | S | S | . | * | trans | -87.9 | 111.5 | 172 | -169.2 | 173.6 | -174.6 | 0 | 0 | 108.2 | P171 K172 | P171-E175 HydrophobicContact CB-CB 4.5Å; P171-E175 WeakPolarHBondContact CB-O 3.35Å; K172-E175 HydrophobicContact CB-CB 4.14Å; K172-E175 WeakPolarHBondContact O-CB 3.49Å; K172-E175 PolarHBondContact O-N 2.92Å | ||
| 176 | E | 73.5 | Confident | 83.6 | Confident | 102 Ų | 102 | 111.9 Ų | 111.9 | 48% | 0.477 | 60% | 0.595 | S | S | . | * | trans | -73.8 | 141.6 | 171.8 | -65.8 | -157.9 | 166.3 | 0 | 0 | 109.4 | F178 | E176-F178 VanDerWaalsContact CB-O 3.24Å; E176-F178 WeakPolarHBondContact CB-O 3.42Å; E176-F178 PolarHBondContact O-N 2.87Å | ||
| 177 | P | 70.5 | Confident | 83.6 | Confident | 81 Ų | 81 | 102.5 Ų | 102.5 | 53% | 0.526 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -56.3 | -18.1 | 176 | -16 | 22.8 | 0 | 0 | 0 | 113.5 | P171 | P171-P177 HydrophobicContact CG-CB 4.37Å; P171-P177 HydrophobicContact CG-CG 3.81Å |
| 178 | F | 73.2 | Confident | 83.6 | Confident | 15 Ų | 15 | 102.3 Ų | 102.3 | 7% | 0.066 | 55% | 0.546 | C | S | . | . | S | Bend | trans | -139.8 | 120 | 171.8 | 44.6 | -84.3 | 0 | 0 | 0 | 106.5 | R150 I152 E176 E180 | R150-F178 VanDerWaalsContact NE-CZ 3.27Å; I152-F178 HydrophobicContact CD1-CB 3.45Å; I152-F178 VanDerWaalsContact CD1-CB 3.45Å; I152-F178 HydrophobicContact CD1-CD1 3.91Å; I152-F178 HydrophobicContact CD1-CD2 3.93Å; I152-F178 HydrophobicContact CD1-CG 3.42Å; I152-F178 VanDerWaalsContact CD1-CG 3.42Å; I152-F178 HydrophobicContact CG1-CB 4.28Å; I152-F178 HydrophobicContact CG1-CD2 3.89Å; I152-F178 HydrophobicContact CG1-CG 3.92Å; E176-F178 VanDerWaalsContact CB-O 3.24Å; E176-F178 WeakPolarHBondContact CB-O 3.42Å; E176-F178 PolarHBondContact O-N 2.87Å; F178-E180 PolarHBondContact O-N 2.89Å |
| 179 | E | 70.5 | Confident | 83.6 | Confident | 158 Ų | 158 | 95.6 Ų | 95.6 | 74% | 0.738 | 52% | 0.519 | S | S | * | . | trans | -72.1 | 126.2 | 168.2 | -64.6 | 177.6 | 175.5 | 0 | 0 | 107.8 | P181 | E179-P181 WeakPolarHBondContact O-CD 3.38Š| ||
| 180 | E | 76.5 | Confident | 83.6 | Confident | 123 Ų | 123 | 94 Ų | 94 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | trans | -70.8 | 113.5 | 166.8 | -67.2 | -170.2 | 169.9 | 0 | 0 | 107.4 | F178 | F178-E180 PolarHBondContact O-N 2.89Š| ||
| 181 | P | 77.7 | Confident | 83.7 | Confident | 37 Ų | 37 | 90.2 Ų | 90.2 | 24% | 0.24 | 48% | 0.476 | C | S | . | . | trans | -65 | 143.6 | -174.1 | 26.4 | -32.5 | 0 | 0 | 0 | 109.9 | V153 N154 E155 E179 I183 | V153-P181 WeakPolarHBondContact O-CD 3.22Å; V153-P181 VanDerWaalsContact O-CG 3.29Å; V153-P181 WeakPolarHBondContact O-CG 3.44Å; N154-P181 VanDerWaalsContact C-CG 3.45Å; E155-P181 HydrophobicContact CG-CB 3.91Å; E155-P181 HydrophobicContact CG-CG 4.26Å; E179-P181 WeakPolarHBondContact O-CD 3.38Å; P181-I183 PolarHBondContact O-N 3.3Å; P181-I183 VanDerWaalsContact O-N 3.09Å | ||
| 182 | Y | 78.9 | Confident | 84 | Confident | 206 Ų | 206 | 93.7 Ų | 93.7 | 81% | 0.808 | 48% | 0.48 | S | S | * | . | trans | -62.1 | 114.6 | 167.8 | -178.8 | -94.5 | 0 | 0 | 0 | 109 | S184 | Y182-S184 PolarHBondContact O-N 3.17Š| ||
| 183 | I | 84.1 | Confident | 84.4 | Confident | 38 Ų | 38 | 90.9 Ų | 90.9 | 20% | 0.195 | 47% | 0.472 | C | S | . | . | trans | -78 | 110.9 | 179.5 | -54.6 | 173.6 | 0 | 0 | 0 | 107.4 | V153 P181 A187 Y188 | V153-I183 HydrophobicContact CG1-CD1 3.77Å; V153-I183 HydrophobicContact CG1-CG1 4.32Å; P181-I183 PolarHBondContact O-N 3.3Å; P181-I183 VanDerWaalsContact O-N 3.09Å; I183-A187 HydrophobicContact CG2-CB 3.61Å; I183-Y188 HydrophobicContact CB-CE2 4.12Å; I183-Y188 HydrophobicContact CG2-CD2 3.93Å; I183-Y188 HydrophobicContact CG2-CE2 3.59Å | ||
| 184 | S | 85.9 | Confident | 84.6 | Confident | 48 Ų | 48 | 89.7 Ų | 89.7 | 34% | 0.336 | 45% | 0.449 | S | S | . | . | trans | -66.2 | 156.7 | 175.3 | 65.6 | 0 | 0 | 0 | 0 | 111.5 | Y182 D186 A187 Y188 | Y182-S184 PolarHBondContact O-N 3.17Å; S184-D186 PolarHBondContact O-N 3.22Å; S184-A187 VanDerWaalsContact O-CB 3.31Å; S184-A187 WeakPolarHBondContact O-CB 3.49Å; S184-A187 PolarHBondContact O-N 3.37Å; S184-A187 PolarHBondContact OG-N 3.39Å; S184-Y188 PolarHBondContact O-N 2.94Å | ||
| 185 | D | 89 | Confident | 85.1 | Confident | 123 Ų | 123 | 92.2 Ų | 92.2 | 66% | 0.658 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -56.7 | -34.8 | 173.5 | -70.1 | -19.9 | 0 | 0 | 0 | 111.6 | A187 Y188 V189 | D185-A187 VanDerWaalsContact C-N 3.28Å; D185-A187 PolarHBondContact O-N 2.96Å; D185-Y188 WeakPolarHBondContact O-CB 3.42Å; D185-Y188 PolarHBondContact O-N 2.92Å; D185-Y188 VanDerWaalsContact O-N 3.12Å; D185-V189 PolarHBondContact O-N 3.1Å; D185-V189 VanDerWaalsContact O-N 3.09Å |
| 186 | D | 91 | Very high | 85.9 | Confident | 127 Ų | 127 | 92.4 Ų | 92.4 | 68% | 0.679 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.6 | -36.9 | 174.4 | -64.3 | -23.2 | 0 | 0 | 0 | 112.3 | S184 Y188 V189 F190 | S184-D186 PolarHBondContact O-N 3.22Å; D186-Y188 VanDerWaalsContact C-N 3.33Å; D186-Y188 PolarHBondContact O-N 3.12Å; D186-V189 PolarHBondContact O-N 2.64Å; D186-F190 VanDerWaalsContact O-CB 3.25Å; D186-F190 WeakPolarHBondContact O-CB 3.14Å; D186-F190 PolarHBondContact O-N 3.19Å |
| 187 | A | 91.3 | Very high | 87 | Confident | 4 Ų | 4 | 93.7 Ų | 93.7 | 3% | 0.033 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.4 | -36.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E155 I183 S184 D185 F190 Q191 | E155-A187 WeakPolarHBondContact O-CB 3.39Å; I183-A187 HydrophobicContact CG2-CB 3.61Å; S184-A187 VanDerWaalsContact O-CB 3.31Å; S184-A187 WeakPolarHBondContact O-CB 3.49Å; S184-A187 PolarHBondContact O-N 3.37Å; S184-A187 PolarHBondContact OG-N 3.39Å; D185-A187 VanDerWaalsContact C-N 3.28Å; D185-A187 PolarHBondContact O-N 2.96Å; A187-F190 WeakPolarHBondContact O-CB 3.46Å; A187-F190 PolarHBondContact O-N 2.92Å; A187-Q191 WeakPolarHBondContact O-CG 3.46Å; A187-Q191 PolarHBondContact O-N 2.93Å |
| 188 | Y | 88.2 | Confident | 88.3 | Confident | 130 Ų | 130 | 93.4 Ų | 93.4 | 51% | 0.51 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.3 | -43.5 | 173.8 | -74.4 | -74.8 | 0 | 0 | 0 | 112.4 | I183 S184 D185 D186 F190 Q191 R192 | I183-Y188 HydrophobicContact CB-CE2 4.12Å; I183-Y188 HydrophobicContact CG2-CD2 3.93Å; I183-Y188 HydrophobicContact CG2-CE2 3.59Å; S184-Y188 PolarHBondContact O-N 2.94Å; D185-Y188 WeakPolarHBondContact O-CB 3.42Å; D185-Y188 PolarHBondContact O-N 2.92Å; D185-Y188 VanDerWaalsContact O-N 3.12Å; D186-Y188 VanDerWaalsContact C-N 3.33Å; D186-Y188 PolarHBondContact O-N 3.12Å; Y188-F190 VanDerWaalsContact C-N 3.28Å; Y188-F190 PolarHBondContact O-N 3.37Å; Y188-Q191 PolarHBondContact O-N 3.1Å; Y188-R192 PolarHBondContact O-N 3.45Å; Y188-R192 VanDerWaalsContact O-N 3.07Å |
| 189 | V | 92.5 | Very high | 89.4 | Confident | 61 Ų | 61 | 99.6 Ų | 99.6 | 37% | 0.37 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 174.5 | 175.7 | 0 | 0 | 0 | 0 | 110 | D185 D186 Q191 R192 L193 | D185-V189 PolarHBondContact O-N 3.1Å; D185-V189 VanDerWaalsContact O-N 3.09Å; D186-V189 PolarHBondContact O-N 2.64Å; V189-Q191 PolarHBondContact O-N 3.48Å; V189-R192 WeakPolarHBondContact O-CB 3.46Å; V189-R192 PolarHBondContact O-N 2.99Å; V189-L193 HydrophobicContact CG1-CD1 4.03Å; V189-L193 HydrophobicContact CG1-CG 4.4Å; V189-L193 WeakPolarHBondContact O-CG 3.24Å; V189-L193 PolarHBondContact O-N 2.9Å |
| 190 | F | 93.3 | Very high | 90.6 | Very high | 74 Ų | 74 | 95.3 Ų | 95.3 | 33% | 0.325 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 176.7 | 174.6 | -107.6 | 0 | 0 | 0 | 112.2 | F156 F158 D186 A187 Y188 R192 L193 W194 | F156-F190 HydrophobicContact CB-CD1 4.04Å; F156-F190 HydrophobicContact CB-CE1 3.97Å; F156-F190 HydrophobicContact CD1-CD1 4.18Å; F156-F190 HydrophobicContact CD1-CE1 4.1Å; F156-F190 HydrophobicContact CG-CD1 4.39Å; F156-F190 HydrophobicContact CG-CE1 4.1Å; F158-F190 HydrophobicContact CE2-CD1 4.28Å; F158-F190 AromaticContact CE2-CE1 3.56Å; F158-F190 HydrophobicContact CE2-CE1 3.56Å; F158-F190 HydrophobicContact CE2-CZ 4.42Å; F158-F190 HydrophobicContact CZ-CD1 4.36Å; F158-F190 AromaticContact CZ-CE1 3.93Å; F158-F190 HydrophobicContact CZ-CE1 3.93Å; D186-F190 VanDerWaalsContact O-CB 3.25Å; D186-F190 WeakPolarHBondContact O-CB 3.14Å; D186-F190 PolarHBondContact O-N 3.19Å; A187-F190 WeakPolarHBondContact O-CB 3.46Å; A187-F190 PolarHBondContact O-N 2.92Å; Y188-F190 VanDerWaalsContact C-N 3.28Å; Y188-F190 PolarHBondContact O-N 3.37Å; F190-R192 VanDerWaalsContact C-N 3.3Å; F190-R192 PolarHBondContact O-N 3.06Å; F190-L193 PolarHBondContact O-N 2.91Å; F190-W194 HydrophobicContact CE1-CE3 4.13Å; F190-W194 AromaticContact CE2-CE3 3.89Å; F190-W194 HydrophobicContact CE2-CE3 3.89Å; F190-W194 HydrophobicContact CE2-CZ3 4.36Å; F190-W194 HydrophobicContact CZ-CD2 4.43Å; F190-W194 AromaticContact CZ-CE3 3.42Å; F190-W194 HydrophobicContact CZ-CE3 3.42Å; F190-W194 VanDerWaalsContact CZ-CE3 3.42Å; F190-W194 AromaticContact CZ-CZ3 3.76Å; F190-W194 HydrophobicContact CZ-CZ3 3.76Å; F190-W194 VanDerWaalsContact O-CB 3.24Å; F190-W194 WeakPolarHBondContact O-CB 3.36Å; F190-W194 PolarHBondContact O-N 3.39Å |
| 191 | Q | 91.7 | Very high | 91.6 | Very high | 29 Ų | 29 | 92.9 Ų | 92.9 | 14% | 0.136 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.1 | -38.8 | 175.7 | -74.3 | 177.9 | 16.9 | 0 | 0 | 113.1 | F156 G157 F158 A187 Y188 V189 K195 | F156-Q191 WeakPolarHBondContact O-CG 3.38Å; F156-Q191 PolarHBondContact O-NE2 2.96Å; G157-Q191 PolarHBondContact O-NE2 3.44Å; F158-Q191 HydrophobicContact CD1-CG 4.32Å; F158-Q191 HydrophobicContact CE1-CG 3.87Å; F158-Q191 HydrophobicContact CZ-CG 4.31Å; A187-Q191 WeakPolarHBondContact O-CG 3.46Å; A187-Q191 PolarHBondContact O-N 2.93Å; Y188-Q191 PolarHBondContact O-N 3.1Å; V189-Q191 PolarHBondContact O-N 3.48Å; Q191-K195 VanDerWaalsContact O-CG 3.31Å; Q191-K195 WeakPolarHBondContact O-CG 3.41Å; Q191-K195 PolarHBondContact O-N 3.09Å |
| 192 | R | 93.5 | Very high | 92.5 | Very high | 143 Ų | 143 | 98 Ų | 98 | 54% | 0.54 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.7 | -52.8 | 176.4 | -176.1 | -176.5 | 69.3 | -157 | -2.5 | 110.5 | Y188 V189 F190 W194 K195 E196 | Y188-R192 PolarHBondContact O-N 3.45Å; Y188-R192 VanDerWaalsContact O-N 3.07Å; V189-R192 WeakPolarHBondContact O-CB 3.46Å; V189-R192 PolarHBondContact O-N 2.99Å; F190-R192 VanDerWaalsContact C-N 3.3Å; F190-R192 PolarHBondContact O-N 3.06Å; R192-W194 PolarHBondContact O-N 3.43Å; R192-K195 WeakPolarHBondContact O-CB 3.46Å; R192-K195 PolarHBondContact O-N 3.4Å; R192-K195 VanDerWaalsContact O-N 3.1Å; R192-E196 PolarHBondContact O-N 2.8Å |
| 193 | L | 95.9 | Very high | 93.1 | Very high | 89 Ų | 89 | 94 Ų | 94 | 47% | 0.466 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.5 | -36.4 | 177.9 | -67.1 | 175.5 | 0 | 0 | 0 | 111.8 | V189 F190 E196 K197 | V189-L193 HydrophobicContact CG1-CD1 4.03Å; V189-L193 HydrophobicContact CG1-CG 4.4Å; V189-L193 WeakPolarHBondContact O-CG 3.24Å; V189-L193 PolarHBondContact O-N 2.9Å; F190-L193 PolarHBondContact O-N 2.91Å; L193-E196 PolarHBondContact O-N 3.35Å; L193-K197 WeakPolarHBondContact O-CB 3.43Å; L193-K197 PolarHBondContact O-N 3.33Å |
| 194 | W | 94.6 | Very high | 93.5 | Very high | 114 Ų | 114 | 98.4 Ų | 98.4 | 43% | 0.432 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 175.1 | -171.9 | -78.7 | 0 | 0 | 0 | 111.9 | F158 F190 R192 K197 L198 | F158-W194 HydrophobicContact CE1-CG 4.5Å; F158-W194 HydrophobicContact CE2-CD2 4.48Å; F158-W194 HydrophobicContact CZ-CB 4.18Å; F158-W194 AromaticContact CZ-CD2 3.99Å; F158-W194 HydrophobicContact CZ-CD2 3.99Å; F158-W194 AromaticContact CZ-CG 3.79Å; F158-W194 HydrophobicContact CZ-CG 3.79Å; F190-W194 HydrophobicContact CE1-CE3 4.13Å; F190-W194 AromaticContact CE2-CE3 3.89Å; F190-W194 HydrophobicContact CE2-CE3 3.89Å; F190-W194 HydrophobicContact CE2-CZ3 4.36Å; F190-W194 HydrophobicContact CZ-CD2 4.43Å; F190-W194 AromaticContact CZ-CE3 3.42Å; F190-W194 HydrophobicContact CZ-CE3 3.42Å; F190-W194 VanDerWaalsContact CZ-CE3 3.42Å; F190-W194 AromaticContact CZ-CZ3 3.76Å; F190-W194 HydrophobicContact CZ-CZ3 3.76Å; F190-W194 VanDerWaalsContact O-CB 3.24Å; F190-W194 WeakPolarHBondContact O-CB 3.36Å; F190-W194 PolarHBondContact O-N 3.39Å; R192-W194 PolarHBondContact O-N 3.43Å; W194-K197 PolarHBondContact O-N 2.87Å; W194-L198 WeakPolarHBondContact O-CG 3.31Å; W194-L198 PolarHBondContact O-N 3.44Å |
| 195 | K | 95 | Very high | 93.9 | Very high | 138 Ų | 138 | 98.3 Ų | 98.3 | 60% | 0.6 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 175.2 | -74.2 | 170.6 | -176.5 | 171.8 | 0 | 111.7 | Q191 R192 L198 Y199 | Q191-K195 VanDerWaalsContact O-CG 3.31Å; Q191-K195 WeakPolarHBondContact O-CG 3.41Å; Q191-K195 PolarHBondContact O-N 3.09Å; R192-K195 WeakPolarHBondContact O-CB 3.46Å; R192-K195 PolarHBondContact O-N 3.4Å; R192-K195 VanDerWaalsContact O-N 3.1Å; K195-L198 PolarHBondContact O-N 3.38Å; K195-Y199 WeakPolarHBondContact O-CB 3.46Å; K195-Y199 PolarHBondContact O-N 2.91Å |
| 196 | E | 97.2 | Very high | 94 | Very high | 100 Ų | 100 | 98.7 Ų | 98.7 | 47% | 0.467 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 174.8 | -71.8 | 170.8 | -167.6 | 0 | 0 | 111.1 | R192 L193 Y199 S200 | R192-E196 PolarHBondContact O-N 2.8Å; L193-E196 PolarHBondContact O-N 3.35Å; E196-Y199 WeakPolarHBondContact O-CB 3.4Å; E196-Y199 PolarHBondContact O-N 2.89Å; E196-S200 PolarHBondContact O-N 3.01Å; E196-S200 PolarHBondContact O-OG 3.27Å |
| 197 | K | 97.5 | Very high | 93.9 | Very high | 129 Ų | 129 | 95.4 Ų | 95.4 | 56% | 0.561 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.3 | -51.1 | 174.7 | -175.8 | 179.3 | 177.8 | -180 | 0 | 112 | L193 W194 Y199 S200 D201 | L193-K197 WeakPolarHBondContact O-CB 3.43Å; L193-K197 PolarHBondContact O-N 3.33Å; W194-K197 PolarHBondContact O-N 2.87Å; K197-Y199 PolarHBondContact O-N 3.03Å; K197-S200 WeakPolarHBondContact O-CB 3.24Å; K197-S200 PolarHBondContact O-N 3.3Å; K197-D201 VanDerWaalsContact O-CG 3.31Å; K197-D201 PolarHBondContact O-N 2.94Å |
| 198 | L | 96.2 | Very high | 93.8 | Very high | 76 Ų | 76 | 98 Ų | 98 | 40% | 0.398 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.4 | -33.9 | 176.9 | -75.9 | 178 | 0 | 0 | 0 | 112.4 | W194 K195 K202 | W194-L198 WeakPolarHBondContact O-CG 3.31Å; W194-L198 PolarHBondContact O-N 3.44Å; K195-L198 PolarHBondContact O-N 3.38Å; L198-K202 WeakPolarHBondContact O-CB 3.48Å; L198-K202 VanDerWaalsContact O-CG 3.22Å; L198-K202 WeakPolarHBondContact O-CG 3.41Å; L198-K202 PolarHBondContact O-N 3.04Å; L198-K202 VanDerWaalsContact O-N 3.09Å |
| 199 | Y | 95.9 | Very high | 93.9 | Very high | 144 Ų | 144 | 98 Ų | 98 | 57% | 0.565 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -69.5 | -44.5 | 175.3 | 179.3 | -98.6 | 0 | 0 | 0 | 111.7 | K195 E196 K197 K202 R203 | K195-Y199 WeakPolarHBondContact O-CB 3.46Å; K195-Y199 PolarHBondContact O-N 2.91Å; E196-Y199 WeakPolarHBondContact O-CB 3.4Å; E196-Y199 PolarHBondContact O-N 2.89Å; K197-Y199 PolarHBondContact O-N 3.03Å; Y199-K202 PolarHBondContact O-N 3.19Å; Y199-R203 HydrophobicContact CD1-CG 4.44Å; Y199-R203 VanDerWaalsContact CE1-CD 3.43Å; Y199-R203 HydrophobicContact CE1-CG 4.05Å; Y199-R203 WeakPolarHBondContact O-CG 3.49Å; Y199-R203 PolarHBondContact O-N 3Å |
| 200 | S | 96.2 | Very high | 93.7 | Very high | 69 Ų | 69 | 97.8 Ų | 97.8 | 48% | 0.483 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 173.9 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | E196 K197 K202 R203 E204 | E196-S200 PolarHBondContact O-N 3.01Å; E196-S200 PolarHBondContact O-OG 3.27Å; K197-S200 WeakPolarHBondContact O-CB 3.24Å; K197-S200 PolarHBondContact O-N 3.3Å; S200-K202 VanDerWaalsContact C-N 3.34Å; S200-K202 PolarHBondContact O-N 3.19Å; S200-R203 WeakPolarHBondContact O-CB 3.35Å; S200-R203 PolarHBondContact O-N 2.85Å; S200-E204 PolarHBondContact O-N 3.38Å |
| 201 | D | 97.1 | Very high | 93.3 | Very high | 72 Ų | 72 | 102 Ų | 102 | 39% | 0.385 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 178.5 | -63.4 | -9.6 | 0 | 0 | 0 | 111.2 | K197 R203 E204 A205 | K197-D201 VanDerWaalsContact O-CG 3.31Å; K197-D201 PolarHBondContact O-N 2.94Å; D201-R203 VanDerWaalsContact C-N 3.31Å; D201-R203 PolarHBondContact O-N 3.45Å; D201-E204 PolarHBondContact O-N 2.85Å; D201-A205 WeakPolarHBondContact O-CB 3.1Å; D201-A205 PolarHBondContact O-N 3.37Å |
| 202 | K | 96.5 | Very high | 93.1 | Very high | 144 Ų | 144 | 106.9 Ų | 106.9 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.1 | -34.7 | 175.1 | -79.2 | 176.6 | -179.2 | -179.1 | 0 | 112.9 | L198 Y199 S200 R206 | L198-K202 WeakPolarHBondContact O-CB 3.48Å; L198-K202 VanDerWaalsContact O-CG 3.22Å; L198-K202 WeakPolarHBondContact O-CG 3.41Å; L198-K202 PolarHBondContact O-N 3.04Å; L198-K202 VanDerWaalsContact O-N 3.09Å; Y199-K202 PolarHBondContact O-N 3.19Å; S200-K202 VanDerWaalsContact C-N 3.34Å; S200-K202 PolarHBondContact O-N 3.19Å; K202-R206 PolarHBondContact O-N 2.98Å |
| 203 | R | 93.1 | Very high | 92.9 | Very high | 122 Ų | 122 | 102.6 Ų | 102.6 | 46% | 0.46 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68 | -49.5 | 175.3 | -81.2 | -169.4 | 55.8 | 177.4 | -5.1 | 110.7 | Y199 S200 D201 A205 R206 D207 | Y199-R203 HydrophobicContact CD1-CG 4.44Å; Y199-R203 VanDerWaalsContact CE1-CD 3.43Å; Y199-R203 HydrophobicContact CE1-CG 4.05Å; Y199-R203 WeakPolarHBondContact O-CG 3.49Å; Y199-R203 PolarHBondContact O-N 3Å; S200-R203 WeakPolarHBondContact O-CB 3.35Å; S200-R203 PolarHBondContact O-N 2.85Å; D201-R203 VanDerWaalsContact C-N 3.31Å; D201-R203 PolarHBondContact O-N 3.45Å; R203-A205 VanDerWaalsContact C-N 3.34Å; R203-A205 PolarHBondContact O-N 2.9Å; R203-R206 WeakPolarHBondContact O-CB 3.33Å; R203-R206 PolarHBondContact O-N 3.1Å; R203-D207 PolarHBondContact O-N 3.01Å |
| 204 | E | 92 | Very high | 92.2 | Very high | 130 Ų | 130 | 101.6 Ų | 101.6 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60 | -44 | 178.7 | -174.7 | 173.4 | -166.9 | 0 | 0 | 111.5 | S200 D201 R206 D207 V208 | S200-E204 PolarHBondContact O-N 3.38Å; D201-E204 PolarHBondContact O-N 2.85Å; E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 3Å; E204-D207 PolarHBondContact O-N 2.85Å; E204-D207 VanDerWaalsContact O-N 3.1Å; E204-V208 WeakPolarHBondContact O-CG2 3.42Å; E204-V208 PolarHBondContact O-N 2.76Å |
| 205 | A | 94.3 | Very high | 91.3 | Very high | 47 Ų | 47 | 105 Ų | 105 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D201 R203 D207 V208 E209 | D201-A205 WeakPolarHBondContact O-CB 3.1Å; D201-A205 PolarHBondContact O-N 3.37Å; R203-A205 VanDerWaalsContact C-N 3.34Å; R203-A205 PolarHBondContact O-N 2.9Å; A205-D207 VanDerWaalsContact C-N 3.34Å; A205-D207 PolarHBondContact O-N 3.47Å; A205-V208 PolarHBondContact O-N 3.06Å; A205-E209 WeakPolarHBondContact O-CG 3.33Å; A205-E209 PolarHBondContact O-N 3.37Å |
| 206 | R | 91.1 | Very high | 90.3 | Very high | 131 Ų | 131 | 100.2 Ų | 100.2 | 49% | 0.494 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 175.4 | -171.8 | -170.6 | -62.1 | 116 | -0.5 | 111.8 | K202 R203 E204 V208 E209 L210 | K202-R206 PolarHBondContact O-N 2.98Å; R203-R206 WeakPolarHBondContact O-CB 3.33Å; R203-R206 PolarHBondContact O-N 3.1Å; E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 3Å; R206-V208 VanDerWaalsContact C-N 3.33Å; R206-E209 PolarHBondContact O-N 3.18Å; R206-L210 HydrophobicContact CG-CD1 4.34Å; R206-L210 WeakPolarHBondContact O-CB 3.49Å; R206-L210 VanDerWaalsContact O-CG 3.31Å; R206-L210 WeakPolarHBondContact O-CG 3.25Å; R206-L210 PolarHBondContact O-N 3.17Å |
| 207 | D | 88.7 | Confident | 88.9 | Confident | 58 Ų | 58 | 103.9 Ų | 103.9 | 31% | 0.31 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.1 | -37.9 | 178.2 | -67.6 | -16.6 | 0 | 0 | 0 | 110.6 | R203 E204 A205 L210 R211 H216 | R203-D207 PolarHBondContact O-N 3.01Å; E204-D207 PolarHBondContact O-N 2.85Å; E204-D207 VanDerWaalsContact O-N 3.1Å; A205-D207 VanDerWaalsContact C-N 3.34Å; A205-D207 PolarHBondContact O-N 3.47Å; D207-L210 PolarHBondContact O-N 3.32Å; D207-R211 WeakPolarHBondContact O-CB 3.29Å; D207-R211 PolarHBondContact O-N 3.36Å; D207-H216 PolarHBondContact O-CD2 3.09Å |
| 208 | V | 89.1 | Confident | 87.4 | Confident | 57 Ų | 57 | 103.9 Ų | 103.9 | 35% | 0.345 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -49.3 | 171.4 | 174 | 0 | 0 | 0 | 0 | 111.4 | E204 A205 R206 L210 R211 D212 | E204-V208 WeakPolarHBondContact O-CG2 3.42Å; E204-V208 PolarHBondContact O-N 2.76Å; A205-V208 PolarHBondContact O-N 3.06Å; R206-V208 VanDerWaalsContact C-N 3.33Å; V208-L210 VanDerWaalsContact C-N 3.26Å; V208-L210 PolarHBondContact O-N 3.07Å; V208-R211 WeakPolarHBondContact O-CA 3.49Å; V208-R211 WeakPolarHBondContact O-CB 3.47Å; V208-R211 PolarHBondContact O-N 3.2Å; V208-D212 PolarHBondContact O-N 2.81Å |
| 209 | E | 90.9 | Very high | 85.6 | Confident | 132 Ų | 132 | 107 Ų | 107 | 62% | 0.617 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.8 | -38.8 | 176.8 | -73.3 | 173.4 | -173.7 | 0 | 0 | 112.5 | A205 R206 S213 | A205-E209 WeakPolarHBondContact O-CG 3.33Å; A205-E209 PolarHBondContact O-N 3.37Å; R206-E209 PolarHBondContact O-N 3.18Å; E209-S213 VanDerWaalsContact O-CB 3.31Å; E209-S213 WeakPolarHBondContact O-CB 3.31Å; E209-S213 PolarHBondContact O-N 3.3Å; E209-S213 PolarHBondContact O-OG 3.45Å |
| 210 | L | 87.8 | Confident | 83.7 | Confident | 56 Ų | 56 | 107.2 Ų | 107.2 | 29% | 0.293 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.9 | -38.1 | 175 | -78 | 173.5 | 0 | 0 | 0 | 111.8 | R206 D207 V208 S213 G214 R215 H216 | R206-L210 HydrophobicContact CG-CD1 4.34Å; R206-L210 WeakPolarHBondContact O-CB 3.49Å; R206-L210 VanDerWaalsContact O-CG 3.31Å; R206-L210 WeakPolarHBondContact O-CG 3.25Å; R206-L210 PolarHBondContact O-N 3.17Å; D207-L210 PolarHBondContact O-N 3.32Å; V208-L210 VanDerWaalsContact C-N 3.26Å; V208-L210 PolarHBondContact O-N 3.07Å; L210-S213 WeakPolarHBondContact CA-OG 3.46Å; L210-S213 PolarHBondContact O-OG 2.8Å; L210-G214 PolarHBondContact O-N 3.33Å; L210-R215 HydrophobicContact CD2-CB 4.23Å; L210-R215 PolarHBondContact O-N 3.45Å; L210-H216 HydrophobicContact CB-CB 4.17Å; L210-H216 PolarHBondContact O-N 2.83Å |
| 211 | R | 84.1 | Confident | 81.2 | Confident | 161 Ų | 161 | 115.1 Ų | 115.1 | 61% | 0.608 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.3 | -48.1 | 175.3 | -173.1 | -174.6 | -65.1 | 161 | 0.9 | 111.2 | D207 V208 S213 G214 H216 | D207-R211 WeakPolarHBondContact O-CB 3.29Å; D207-R211 PolarHBondContact O-N 3.36Å; V208-R211 WeakPolarHBondContact O-CA 3.49Å; V208-R211 WeakPolarHBondContact O-CB 3.47Å; V208-R211 PolarHBondContact O-N 3.2Å; R211-S213 VanDerWaalsContact C-N 3.32Å; R211-S213 PolarHBondContact O-N 2.91Å; R211-G214 PolarHBondContact O-N 2.97Å; R211-H216 HydrophobicContact CB-CB 4.47Å |
| 212 | D | 88.1 | Confident | 78.6 | Confident | 132 Ų | 132 | 124.8 Ų | 124.8 | 71% | 0.706 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.9 | -35.1 | -179.7 | -68.3 | -11.1 | 0 | 0 | 0 | 112 | V208 G214 | V208-D212 PolarHBondContact O-N 2.81Å; D212-G214 PolarHBondContact O-N 3.12Å |
| 213 | S | 89.4 | Confident | 77.7 | Confident | 54 Ų | 54 | 123.8 Ų | 123.8 | 38% | 0.378 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.2 | -2.2 | 174.1 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | E209 L210 R211 R215 | E209-S213 VanDerWaalsContact O-CB 3.31Å; E209-S213 WeakPolarHBondContact O-CB 3.31Å; E209-S213 PolarHBondContact O-N 3.3Å; E209-S213 PolarHBondContact O-OG 3.45Å; L210-S213 WeakPolarHBondContact CA-OG 3.46Å; L210-S213 PolarHBondContact O-OG 2.8Å; R211-S213 VanDerWaalsContact C-N 3.32Å; R211-S213 PolarHBondContact O-N 2.91Å; S213-R215 PolarHBondContact O-N 3.48Å; S213-R215 VanDerWaalsContact O-N 3.14Å; S213-R215 PolarHBondContact OG-NE 3.41Å |
| 214 | G | 81.7 | Confident | 76.9 | Confident | 67 Ų | 67 | 123.9 Ų | 123.9 | 69% | 0.691 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.6 | 10.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L210 R211 D212 | L210-G214 PolarHBondContact O-N 3.33Å; R211-G214 PolarHBondContact O-N 2.97Å; D212-G214 PolarHBondContact O-N 3.12Å |
| 215 | R | 76 | Confident | 76 | Confident | 185 Ų | 185 | 123.6 Ų | 123.6 | 70% | 0.698 | 58% | 0.577 | S | S | * | * | trans | -97 | 6 | -179.3 | -65.7 | -175.1 | -64.4 | -171.1 | 1 | 112.9 | L210 S213 K217 | L210-R215 HydrophobicContact CD2-CB 4.23Å; L210-R215 PolarHBondContact O-N 3.45Å; S213-R215 PolarHBondContact O-N 3.48Å; S213-R215 VanDerWaalsContact O-N 3.14Å; S213-R215 PolarHBondContact OG-NE 3.41Å; R215-K217 PolarHBondContact O-N 3.47Å; R215-K217 VanDerWaalsContact O-N 3.11Å | ||
| 216 | H | 72.5 | Confident | 75 | Confident | 38 Ų | 38 | 128.1 Ų | 128.1 | 18% | 0.176 | 59% | 0.588 | C | S | . | * | trans | -67.5 | 111.7 | -178.3 | -158.4 | -87.1 | 0 | 0 | 0 | 110.5 | D207 L210 R211 Y218 | D207-H216 PolarHBondContact O-CD2 3.09Å; L210-H216 HydrophobicContact CB-CB 4.17Å; L210-H216 PolarHBondContact O-N 2.83Å; R211-H216 HydrophobicContact CB-CB 4.47Å; H216-Y218 PolarHBondContact CE1-O 3.34Å; H216-Y218 PolarHBondContact ND1-N 2.95Å; H216-Y218 PolarHBondContact ND1-O 3.09Å; H216-Y218 PolarHBondContact O-N 3.35Å; H216-Y218 VanDerWaalsContact O-N 3.12Å | ||
| 217 | K | 69.4 | Low | 74 | Confident | 177 Ų | 177 | 127.9 Ų | 127.9 | 77% | 0.77 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -61.5 | -22 | -176.7 | -171 | 174.3 | -178.1 | -177.1 | 0 | 113.3 | R215 | R215-K217 PolarHBondContact O-N 3.47Å; R215-K217 VanDerWaalsContact O-N 3.11Å |
| 218 | Y | 65.5 | Low | 73 | Confident | 130 Ų | 130 | 132.5 Ų | 132.5 | 51% | 0.51 | 61% | 0.613 | S | S | . | * | trans | -121.4 | 101.5 | -177.3 | -62.2 | -81 | 0 | 0 | 0 | 111.7 | H216 Y220 | H216-Y218 PolarHBondContact CE1-O 3.34Å; H216-Y218 PolarHBondContact ND1-N 2.95Å; H216-Y218 PolarHBondContact ND1-O 3.09Å; H216-Y218 PolarHBondContact O-N 3.35Å; H216-Y218 VanDerWaalsContact O-N 3.12Å; Y218-Y220 VanDerWaalsContact C-N 3.26Å; Y218-Y220 VanDerWaalsContact CB-CE2 3.46Å; Y218-Y220 HydrophobicContact CG-CE2 4.05Å; Y218-Y220 PolarHBondContact O-N 3.31Å | ||
| 219 | V | 57.5 | Low | 71.8 | Confident | 140 Ų | 140 | 137.9 Ų | 137.9 | 85% | 0.848 | 63% | 0.632 | S | S | * | * | trans | -74.7 | 85.5 | 167.4 | -176.5 | 0 | 0 | 0 | 0 | 107.5 | R221 | V219-R221 VanDerWaalsContact C-N 3.33Å; V219-R221 PolarHBondContact O-N 3.21Å | ||
| 220 | Y | 56 | Low | 70.3 | Confident | 150 Ų | 150 | 138.4 Ų | 138.4 | 59% | 0.588 | 63% | 0.633 | S | S | * | * | trans | -71.8 | 97.1 | 166.3 | -70.2 | -74.8 | 0 | 0 | 0 | 107.6 | Y218 Y222 | Y218-Y220 VanDerWaalsContact C-N 3.26Å; Y218-Y220 VanDerWaalsContact CB-CE2 3.46Å; Y218-Y220 HydrophobicContact CG-CE2 4.05Å; Y218-Y220 PolarHBondContact O-N 3.31Å; Y220-Y222 HydrophobicContact CG-CE2 4.4Å; Y220-Y222 PolarHBondContact O-N 3.29Å | ||
| 221 | R | 44.4 | Very low | 68.9 | Low | 235 Ų | 235 | 145.3 Ų | 145.3 | 89% | 0.887 | 66% | 0.661 | S | S | * | * | trans | -72.7 | 100.4 | 163.6 | -168.4 | -175.4 | -153.1 | 168.6 | 5.6 | 106.3 | V219 | V219-R221 VanDerWaalsContact C-N 3.33Å; V219-R221 PolarHBondContact O-N 3.21Å | ||
| 222 | Y | 42.1 | Very low | 67.5 | Low | 274 Ų | 274 | 143.8 Ų | 143.8 | 100% | 1.075 | 67% | 0.666 | S | S | * | * | trans | -96 | 0 | 157.7 | -70.1 | -75.6 | 0 | 0 | 0 | 108.2 | Y220 | Y220-Y222 HydrophobicContact CG-CE2 4.4Å; Y220-Y222 PolarHBondContact O-N 3.29Å |
Retrieved 222 of 222 residues in 313.9 ms
(Link to these results)