| 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 | 51.4 | Low | 48.6 | Very low | 198 Ų | 198 | 140.9 Ų | 140.9 | 98% | 0.975 | 67% | 0.671 | S | S | * | * | 0 | -47 | 0 | -123.7 | 162.5 | 77.7 | 0 | 0 | 113.9 | S3 I4 | M1-S3 PolarHBondContact O-N 3.31Å; M1-I4 PolarHBondContact O-N 3.47Å | |||
| 2 | Q | 45.8 | Very low | 47.4 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 76% | 0.762 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.1 | -25.8 | -176.9 | -72.7 | -179 | -7.4 | 0 | 0 | 115.9 | K6 | Q2-K6 PolarHBondContact O-N 2.83Å |
| 3 | S | 60.9 | Low | 46.6 | Very low | 92 Ų | 92 | 147.6 Ų | 147.6 | 64% | 0.643 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -75.4 | -31.4 | 180 | 77.6 | 0 | 0 | 0 | 0 | 113.6 | M1 R7 | M1-S3 PolarHBondContact O-N 3.31Å; S3-R7 PolarHBondContact O-N 2.92Å; S3-R7 VanDerWaalsContact O-N 3.17Å |
| 4 | I | 57.3 | Low | 46.1 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 58% | 0.579 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -69.9 | -43.3 | 176.8 | -64 | 173.2 | 0 | 0 | 0 | 110.1 | M1 K6 R7 I8 | M1-I4 PolarHBondContact O-N 3.47Å; I4-K6 PolarHBondContact O-N 3.47Å; I4-R7 WeakPolarHBondContact O-CB 2.99Å; I4-R7 PolarHBondContact O-N 2.93Å; I4-R7 VanDerWaalsContact O-N 3.08Å; I4-I8 HydrophobicContact CG2-CD1 3.85Å; I4-I8 HydrophobicContact CG2-CG1 4.44Å; I4-I8 WeakPolarHBondContact O-CG1 3.47Å; I4-I8 PolarHBondContact O-N 3.13Å |
| 5 | L | 45.1 | Very low | 45.7 | Very low | 111 Ų | 111 | 149.9 Ų | 149.9 | 58% | 0.581 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -59.8 | -42.9 | 175.1 | -82.3 | 156.4 | 0 | 0 | 0 | 112.1 | R7 I8 H9 | L5-R7 VanDerWaalsContact C-N 3.29Å; L5-R7 PolarHBondContact O-N 2.97Å; L5-I8 PolarHBondContact O-N 3.1Å; L5-H9 WeakPolarHBondContact O-CB 3.14Å; L5-H9 PolarHBondContact O-N 2.9Å |
| 6 | K | 47.8 | Very low | 45.3 | Very low | 160 Ų | 160 | 147.1 Ų | 147.1 | 70% | 0.696 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -63.2 | -32.9 | 174.2 | -80.5 | -177.1 | 176.8 | 177.5 | 0 | 112.9 | Q2 I4 R10 | Q2-K6 PolarHBondContact O-N 2.83Å; I4-K6 PolarHBondContact O-N 3.47Å; K6-R10 WeakPolarHBondContact O-CB 3.4Å; K6-R10 PolarHBondContact O-N 3.47Å |
| 7 | R | 51.5 | Low | 45.1 | Very low | 199 Ų | 199 | 145.2 Ų | 145.2 | 75% | 0.751 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.8 | -38.9 | 178.4 | -144.3 | 174.1 | -175.9 | -169.5 | 0.5 | 111.9 | S3 I4 L5 C11 | S3-R7 PolarHBondContact O-N 2.92Å; S3-R7 VanDerWaalsContact O-N 3.17Å; I4-R7 WeakPolarHBondContact O-CB 2.99Å; I4-R7 PolarHBondContact O-N 2.93Å; I4-R7 VanDerWaalsContact O-N 3.08Å; L5-R7 VanDerWaalsContact C-N 3.29Å; L5-R7 PolarHBondContact O-N 2.97Å; R7-C11 PolarHBondContact O-N 3.02Å; R7-C11 VanDerWaalsContact O-N 3.16Å; R7-C11 PolarHBondContact O-SG 3.48Å |
| 8 | I | 46 | Very low | 44.6 | Very low | 90 Ų | 90 | 144.2 Ų | 144.2 | 46% | 0.462 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -66.8 | -43 | 173.7 | -65.6 | 169.4 | 0 | 0 | 0 | 110.5 | I4 L5 R10 C11 W12 | I4-I8 HydrophobicContact CG2-CD1 3.85Å; I4-I8 HydrophobicContact CG2-CG1 4.44Å; I4-I8 WeakPolarHBondContact O-CG1 3.47Å; I4-I8 PolarHBondContact O-N 3.13Å; L5-I8 PolarHBondContact O-N 3.1Å; I8-R10 PolarHBondContact O-N 3.06Å; I8-C11 WeakPolarHBondContact O-CB 3.45Å; I8-C11 PolarHBondContact O-N 3.26Å; I8-C11 VanDerWaalsContact O-N 3.14Å; I8-W12 PolarHBondContact O-N 2.88Å |
| 9 | H | 40.8 | Very low | 44.1 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 69% | 0.69 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.2 | -34 | -179.6 | -135.8 | 22.8 | 0 | 0 | 0 | 112.9 | L5 W12 R13 | L5-H9 WeakPolarHBondContact O-CB 3.14Å; L5-H9 PolarHBondContact O-N 2.9Å; H9-W12 PolarHBondContact O-N 3.35Å; H9-R13 PolarHBondContact O-N 2.92Å; H9-R13 VanDerWaalsContact O-N 3.1Å |
| 10 | R | 43.5 | Very low | 43.7 | Very low | 205 Ų | 205 | 139.3 Ų | 139.3 | 77% | 0.774 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.2 | -34.2 | 169.9 | -95.5 | -175.1 | 177.6 | -175.1 | -0.2 | 113 | K6 I8 K14 | K6-R10 WeakPolarHBondContact O-CB 3.4Å; K6-R10 PolarHBondContact O-N 3.47Å; I8-R10 PolarHBondContact O-N 3.06Å; R10-K14 PolarHBondContact O-N 2.79Å |
| 11 | C | 44.5 | Very low | 43 | Very low | 70 Ų | 70 | 135 Ų | 135 | 47% | 0.473 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67.3 | -43.1 | 174.7 | -68.6 | 0 | 0 | 0 | 0 | 110.9 | R7 I8 R13 K14 Y15 | R7-C11 PolarHBondContact O-N 3.02Å; R7-C11 VanDerWaalsContact O-N 3.16Å; R7-C11 PolarHBondContact O-SG 3.48Å; I8-C11 WeakPolarHBondContact O-CB 3.45Å; I8-C11 PolarHBondContact O-N 3.26Å; I8-C11 VanDerWaalsContact O-N 3.14Å; C11-R13 PolarHBondContact O-N 3.34Å; C11-K14 PolarHBondContact O-N 3.23Å; C11-Y15 WeakPolarHBondContact O-CD2 3.43Å; C11-Y15 PolarHBondContact O-N 3.06Å |
| 12 | W | 34.6 | Very low | 42.2 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 67% | 0.667 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.7 | -39 | 178.6 | -85.6 | 57.7 | 0 | 0 | 0 | 113.4 | I8 H9 K14 Y15 E16 | I8-W12 PolarHBondContact O-N 2.88Å; H9-W12 PolarHBondContact O-N 3.35Å; W12-K14 VanDerWaalsContact C-N 3.32Å; W12-K14 PolarHBondContact O-N 2.92Å; W12-Y15 PolarHBondContact O-N 3.13Å; W12-E16 PolarHBondContact O-N 2.88Å |
| 13 | R | 37.3 | Very low | 41.6 | Very low | 193 Ų | 193 | 131.1 Ų | 131.1 | 73% | 0.728 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.3 | -29.4 | 178 | -149.8 | 177.6 | -169.8 | -146.7 | 3.5 | 113.1 | H9 C11 I17 | H9-R13 PolarHBondContact O-N 2.92Å; H9-R13 VanDerWaalsContact O-N 3.1Å; C11-R13 PolarHBondContact O-N 3.34Å; R13-I17 VanDerWaalsContact O-CG1 3.3Å; R13-I17 WeakPolarHBondContact O-CG1 3.1Å; R13-I17 PolarHBondContact O-N 3.44Å |
| 14 | K | 39.7 | Very low | 40.2 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 70% | 0.696 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.4 | -36.2 | 172 | -76.5 | -171.3 | 174.8 | -170 | 0 | 112.1 | R10 C11 W12 L18 | R10-K14 PolarHBondContact O-N 2.79Å; C11-K14 PolarHBondContact O-N 3.23Å; W12-K14 VanDerWaalsContact C-N 3.32Å; W12-K14 PolarHBondContact O-N 2.92Å; K14-L18 PolarHBondContact O-N 3.18Å |
| 15 | Y | 39.8 | Very low | 39 | Very low | 169 Ų | 169 | 133.2 Ų | 133.2 | 66% | 0.663 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.8 | -35.7 | 176.6 | -90.7 | -83.5 | 0 | 0 | 0 | 112.9 | C11 W12 L18 K19 | C11-Y15 WeakPolarHBondContact O-CD2 3.43Å; C11-Y15 PolarHBondContact O-N 3.06Å; W12-Y15 PolarHBondContact O-N 3.13Å; Y15-L18 PolarHBondContact O-N 3.33Å; Y15-K19 PolarHBondContact O-N 2.84Å; Y15-K19 VanDerWaalsContact O-N 3.09Å |
| 16 | E | 39.2 | Very low | 38.2 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 49% | 0.491 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -72.3 | -35.8 | 175.1 | -75.2 | -61.3 | 137.6 | 0 | 0 | 112.8 | W12 L18 K19 A20 | W12-E16 PolarHBondContact O-N 2.88Å; E16-L18 VanDerWaalsContact C-N 3.32Å; E16-L18 PolarHBondContact O-N 3.32Å; E16-K19 PolarHBondContact O-N 3.25Å; E16-A20 WeakPolarHBondContact O-CB 3.06Å; E16-A20 PolarHBondContact O-N 2.88Å |
| 17 | I | 42.1 | Very low | 37.4 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 59% | 0.59 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.7 | -33.1 | 173.3 | -65.9 | 168.6 | 0 | 0 | 0 | 111 | R13 K19 A20 G21 | R13-I17 VanDerWaalsContact O-CG1 3.3Å; R13-I17 WeakPolarHBondContact O-CG1 3.1Å; R13-I17 PolarHBondContact O-N 3.44Å; I17-K19 VanDerWaalsContact C-N 3.32Å; I17-A20 PolarHBondContact O-N 3.3Å; I17-G21 PolarHBondContact O-N 2.99Å |
| 18 | L | 35.1 | Very low | 36.5 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 67% | 0.665 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.5 | -32.3 | 172.3 | -123.1 | 95.6 | 0 | 0 | 0 | 112.4 | K14 Y15 E16 V22 | K14-L18 PolarHBondContact O-N 3.18Å; Y15-L18 PolarHBondContact O-N 3.33Å; E16-L18 VanDerWaalsContact C-N 3.32Å; E16-L18 PolarHBondContact O-N 3.32Å; L18-V22 WeakPolarHBondContact O-CG2 3.42Å |
| 19 | K | 35.1 | Very low | 35.7 | Very low | 128 Ų | 128 | 121.8 Ų | 121.8 | 56% | 0.557 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.3 | -43.1 | 173.1 | -75.4 | -178.8 | 179.3 | 176.6 | 0 | 111.8 | Y15 E16 I17 Y23 | Y15-K19 PolarHBondContact O-N 2.84Å; Y15-K19 VanDerWaalsContact O-N 3.09Å; E16-K19 PolarHBondContact O-N 3.25Å; I17-K19 VanDerWaalsContact C-N 3.32Å; K19-Y23 WeakPolarHBondContact O-CD2 3.3Å; K19-Y23 WeakPolarHBondContact O-CE2 3.2Å |
| 20 | A | 36.5 | Very low | 35.2 | Very low | 62 Ų | 62 | 121 Ų | 121 | 51% | 0.512 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -72.1 | -31.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E16 I17 V22 | E16-A20 WeakPolarHBondContact O-CB 3.06Å; E16-A20 PolarHBondContact O-N 2.88Å; I17-A20 PolarHBondContact O-N 3.3Å; A20-V22 PolarHBondContact O-N 3.21Å |
| 21 | G | 28.5 | Very low | 34.6 | Very low | 49 Ų | 49 | 116.2 Ų | 116.2 | 51% | 0.505 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -74.3 | -18.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I17 | I17-G21 PolarHBondContact O-N 2.99Å |
| 22 | V | 34.6 | Very low | 33.8 | Very low | 90 Ų | 90 | 120.5 Ų | 120.5 | 55% | 0.545 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -89.5 | -16 | 178.6 | 176.7 | 0 | 0 | 0 | 0 | 112.3 | L18 A20 | L18-V22 WeakPolarHBondContact O-CG2 3.42Å; A20-V22 PolarHBondContact O-N 3.21Å |
| 23 | Y | 33.4 | Very low | 33.5 | Very low | 191 Ų | 191 | 120.2 Ų | 120.2 | 75% | 0.749 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -85.3 | -7.8 | 179.6 | -74.1 | -67.6 | 0 | 0 | 0 | 115.2 | K19 | K19-Y23 WeakPolarHBondContact O-CD2 3.3Å; K19-Y23 WeakPolarHBondContact O-CE2 3.2Å |
| 24 | I | 32.3 | Very low | 33.2 | Very low | 154 Ų | 154 | 116 Ų | 116 | 79% | 0.79 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -94.1 | -13.5 | -175.4 | -63.1 | -178.9 | 0 | 0 | 0 | 113.8 | ||
| 25 | S | 31.4 | Very low | 32.7 | Very low | 95 Ų | 95 | 115.8 Ų | 115.8 | 66% | 0.664 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -116.4 | 6.9 | -177.9 | 42.3 | 0 | 0 | 0 | 0 | 116.4 | ||
| 26 | I | 29.4 | Very low | 32.4 | Very low | 92 Ų | 92 | 116.2 Ų | 116.2 | 47% | 0.472 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -110.8 | 3.1 | 170 | -55 | 178.7 | 0 | 0 | 0 | 111.9 | A28 F30 | I26-A28 VanDerWaalsContact C-N 3.29Å; I26-A28 PolarHBondContact O-N 3.15Å; I26-F30 HydrophobicContact CG2-CD2 3.63Å; I26-F30 HydrophobicContact CG2-CE2 4.23Å |
| 27 | G | 30 | Very low | 32.1 | Very low | 63 Ų | 63 | 114.6 Ų | 114.6 | 65% | 0.649 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -13.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 28 | A | 32.7 | Very low | 31.5 | Very low | 81 Ų | 81 | 117.5 Ų | 117.5 | 67% | 0.669 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -10.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I26 | I26-A28 VanDerWaalsContact C-N 3.29Å; I26-A28 PolarHBondContact O-N 3.15Å |
| 29 | T | 30.2 | Very low | 31.7 | Very low | 84 Ų | 84 | 116.4 Ų | 116.4 | 52% | 0.515 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.6 | -12.6 | 176 | 27.5 | 0 | 0 | 0 | 0 | 113.6 | T31 H32 F33 | T29-T31 VanDerWaalsContact C-N 3.33Å; T29-T31 PolarHBondContact O-N 2.86Å; T29-H32 PolarHBondContact O-N 3.48Å; T29-F33 PolarHBondContact O-N 3.42Å |
| 30 | F | 30.5 | Very low | 31.6 | Very low | 133 Ų | 133 | 115 Ų | 115 | 58% | 0.583 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -15.6 | 174.9 | -120.3 | -99.6 | 0 | 0 | 0 | 114.4 | I26 I34 | I26-F30 HydrophobicContact CG2-CD2 3.63Å; I26-F30 HydrophobicContact CG2-CE2 4.23Å; F30-I34 HydrophobicContact CD1-CD1 3.7Å; F30-I34 HydrophobicContact CE1-CD1 3.7Å |
| 31 | T | 30.7 | Very low | 31.2 | Very low | 104 Ų | 104 | 119.2 Ų | 119.2 | 64% | 0.638 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -18.3 | 170.4 | 39.4 | 0 | 0 | 0 | 0 | 113.1 | T29 | T29-T31 VanDerWaalsContact C-N 3.33Å; T29-T31 PolarHBondContact O-N 2.86Å |
| 32 | H | 26.7 | Very low | 31.6 | Very low | 159 Ų | 159 | 121.2 Ų | 121.2 | 74% | 0.736 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -13.6 | -178.9 | -125.9 | -59.7 | 0 | 0 | 0 | 114.7 | T29 | T29-H32 PolarHBondContact O-N 3.48Š|
| 33 | F | 28.6 | Very low | 31.6 | Very low | 171 Ų | 171 | 121.9 Ų | 121.9 | 75% | 0.75 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -101.6 | -3.8 | -179.8 | -108.2 | -86.1 | 0 | 0 | 0 | 115.5 | T29 | T29-F33 PolarHBondContact O-N 3.42Š|
| 34 | I | 30.6 | Very low | 32.1 | Very low | 104 Ų | 104 | 116.8 Ų | 116.8 | 53% | 0.533 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -106.1 | -5.9 | 179 | -64.1 | -178.3 | 0 | 0 | 0 | 113.1 | F30 E36 | F30-I34 HydrophobicContact CD1-CD1 3.7Å; F30-I34 HydrophobicContact CE1-CD1 3.7Å; I34-E36 VanDerWaalsContact C-N 3.31Å |
| 35 | L | 30.1 | Very low | 32.5 | Very low | 156 Ų | 156 | 113.9 Ų | 113.9 | 82% | 0.817 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -80.6 | -8.5 | 169.5 | -94.1 | 146.3 | 0 | 0 | 0 | 114 | ||
| 36 | E | 33.2 | Very low | 32.8 | Very low | 177 Ų | 177 | 117.3 Ų | 117.3 | 83% | 0.827 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -125.7 | 3.4 | 174.2 | -76.4 | -169.4 | 161.5 | 0 | 0 | 115.1 | I34 K38 | I34-E36 VanDerWaalsContact C-N 3.31Å; E36-K38 PolarHBondContact O-N 2.68Å |
| 37 | S | 32.7 | Very low | 33.2 | Very low | 71 Ų | 71 | 117.8 Ų | 117.8 | 50% | 0.497 | 65% | 0.653 | S | S | . | * | trans | -74.7 | 76.4 | 170.6 | 60.2 | 0 | 0 | 0 | 0 | 110.1 | V39 | S37-V39 PolarHBondContact O-N 2.85Š| ||
| 38 | K | 29.8 | Very low | 33.9 | Very low | 177 Ų | 177 | 118.3 Ų | 118.3 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | trans | -41 | 115.2 | 148.4 | -72.4 | 174.9 | 178.4 | 172.2 | 0 | 105.7 | E36 | E36-K38 PolarHBondContact O-N 2.68Š| ||
| 39 | V | 39.4 | Very low | 34.7 | Very low | 103 Ų | 103 | 121.5 Ų | 121.5 | 62% | 0.624 | 65% | 0.65 | S | S | * | * | trans | -39.3 | 119 | 161.5 | 176.5 | 0 | 0 | 0 | 0 | 104.8 | S37 N41 | S37-V39 PolarHBondContact O-N 2.85Å; V39-N41 PolarHBondContact O-N 2.8Å | ||
| 40 | P | 31.4 | Very low | 35.7 | Very low | 100 Ų | 100 | 119.4 Ų | 119.4 | 65% | 0.649 | 64% | 0.641 | S | S | * | * | trans | -51.3 | 119.1 | -170.2 | 13.5 | -26.6 | 0 | 0 | 0 | 107.2 | I42 | P40-I42 PolarHBondContact O-N 2.87Š| ||
| 41 | N | 29.5 | Very low | 37 | Very low | 149 Ų | 149 | 116.6 Ų | 116.6 | 80% | 0.797 | 64% | 0.642 | S | S | * | * | trans | -61.3 | 85.1 | 166.6 | -81.9 | -19.1 | 0 | 0 | 0 | 104.9 | V39 S43 | V39-N41 PolarHBondContact O-N 2.8Å; N41-S43 VanDerWaalsContact C-N 3.29Å; N41-S43 PolarHBondContact O-N 3.32Å | ||
| 42 | I | 37.1 | Very low | 38.7 | Very low | 91 Ų | 91 | 119.8 Ų | 119.8 | 47% | 0.467 | 65% | 0.65 | S | S | . | * | trans | -63.8 | 107 | 163.2 | -66.8 | 174 | 0 | 0 | 0 | 102.4 | P40 F44 | P40-I42 PolarHBondContact O-N 2.87Å; I42-F44 WeakPolarHBondContact O-CD2 3.38Å; I42-F44 PolarHBondContact O-N 3.37Å | ||
| 43 | S | 34.3 | Very low | 40.5 | Very low | 104 Ų | 104 | 116.4 Ų | 116.4 | 73% | 0.727 | 64% | 0.636 | S | S | * | * | trans | -56.4 | 99.9 | 167.2 | 173.7 | 0 | 0 | 0 | 0 | 105.7 | N41 S45 | N41-S43 VanDerWaalsContact C-N 3.29Å; N41-S43 PolarHBondContact O-N 3.32Å; S43-S45 VanDerWaalsContact C-N 3.27Å; S43-S45 PolarHBondContact O-N 3.48Å | ||
| 44 | F | 42.7 | Very low | 42.3 | Very low | 84 Ų | 84 | 115.2 Ų | 115.2 | 37% | 0.368 | 64% | 0.636 | S | S | . | * | trans | -53.9 | 107.5 | 155.6 | -68 | -80.4 | 0 | 0 | 0 | 103.9 | I42 Q46 V279 | I42-F44 WeakPolarHBondContact O-CD2 3.38Å; I42-F44 PolarHBondContact O-N 3.37Å; F44-Q46 PolarHBondContact O-N 2.69Å; F44-V279 HydrophobicContact CD2-CG1 4.32Å; F44-V279 HydrophobicContact CE1-CG1 4.08Å; F44-V279 HydrophobicContact CE2-CB 4.42Å; F44-V279 HydrophobicContact CE2-CG1 3.51Å; F44-V279 HydrophobicContact CZ-CB 4.26Å; F44-V279 HydrophobicContact CZ-CG1 3.37Å | ||
| 45 | S | 41.3 | Very low | 44.2 | Very low | 94 Ų | 94 | 119 Ų | 119 | 66% | 0.657 | 65% | 0.645 | S | S | * | * | trans | -43.2 | 137.3 | 169.4 | 175.2 | 0 | 0 | 0 | 0 | 107.7 | S43 | S43-S45 VanDerWaalsContact C-N 3.27Å; S43-S45 PolarHBondContact O-N 3.48Å | ||
| 46 | Q | 37.5 | Very low | 46 | Very low | 166 Ų | 166 | 116.9 Ų | 116.9 | 78% | 0.776 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -34.7 | 146.5 | -171.6 | -61.7 | -149.2 | -48.5 | 0 | 0 | 114.4 | F44 V48 | F44-Q46 PolarHBondContact O-N 2.69Å; Q46-V48 PolarHBondContact O-N 2.9Å |
| 47 | P | 38.4 | Very low | 47.7 | Very low | 103 Ų | 103 | 113.4 Ų | 113.4 | 67% | 0.669 | 64% | 0.635 | S | S | * | * | trans | -50.2 | 108.9 | 179.5 | 22.1 | -33.3 | 0 | 0 | 0 | 109.1 | N49 | P47-N49 PolarHBondContact O-N 3.1Å; P47-N49 VanDerWaalsContact O-N 3.15Å | ||
| 48 | V | 45 | Very low | 49.2 | Very low | 73 Ų | 73 | 116.8 Ų | 116.8 | 44% | 0.442 | 65% | 0.647 | S | S | . | * | trans | -61.4 | 118.6 | 166.4 | -85.4 | 0 | 0 | 0 | 0 | 105.2 | Q46 A50 E282 | Q46-V48 PolarHBondContact O-N 2.9Å; V48-A50 PolarHBondContact O-N 3.47Å; V48-E282 HydrophobicContact CG2-CB 4.44Å | ||
| 49 | N | 48.3 | Very low | 50.8 | Low | 149 Ų | 149 | 114.5 Ų | 114.5 | 80% | 0.797 | 65% | 0.648 | S | S | * | * | trans | -50 | 121 | 173.6 | -168.2 | -16.2 | 0 | 0 | 0 | 106.6 | P47 A51 | P47-N49 PolarHBondContact O-N 3.1Å; P47-N49 VanDerWaalsContact O-N 3.15Å; N49-A51 PolarHBondContact O-N 3.13Å | ||
| 50 | A | 53.1 | Low | 52 | Low | 40 Ų | 40 | 113 Ų | 113 | 33% | 0.331 | 65% | 0.653 | S | S | . | * | trans | -66 | 69.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109 | V48 E52 E282 | V48-A50 PolarHBondContact O-N 3.47Å; A50-E52 PolarHBondContact O-N 3.36Å; A50-E282 HydrophobicContact CB-CG 4.11Å | ||
| 51 | A | 56.9 | Low | 53.7 | Low | 73 Ų | 73 | 110.6 Ų | 110.6 | 60% | 0.603 | 64% | 0.642 | S | S | * | * | trans | -56.5 | 133.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | N49 | N49-A51 PolarHBondContact O-N 3.13Š| ||
| 52 | E | 65.4 | Low | 55.8 | Low | 172 Ų | 172 | 108.8 Ų | 108.8 | 80% | 0.804 | 64% | 0.638 | S | S | * | * | trans | -50.3 | 144.2 | 170 | -165.7 | 171.3 | -169.8 | 0 | 0 | 109.4 | A50 I54 | A50-E52 PolarHBondContact O-N 3.36Å; E52-I54 VanDerWaalsContact C-N 3.33Å; E52-I54 PolarHBondContact O-N 3.24Å | ||
| 53 | I | 64.9 | Low | 57.8 | Low | 88 Ų | 88 | 111.6 Ų | 111.6 | 45% | 0.451 | 65% | 0.654 | S | S | . | * | trans | -68.6 | 95.8 | 177.9 | -58.7 | 175.9 | 0 | 0 | 0 | 107.5 | Y55 P294 | I53-Y55 HydrophobicContact CB-CE2 4.36Å; I53-Y55 HydrophobicContact CG2-CD1 4.46Å; I53-Y55 HydrophobicContact CG2-CD2 4.14Å; I53-Y55 HydrophobicContact CG2-CE1 4.04Å; I53-Y55 HydrophobicContact CG2-CE2 3.69Å; I53-Y55 PolarHBondContact O-N 3.3Å; I53-P294 HydrophobicContact CD1-CB 4.38Å | ||
| 54 | I | 68 | Low | 60 | Low | 146 Ų | 146 | 109.3 Ų | 109.3 | 75% | 0.749 | 63% | 0.633 | S | S | * | * | trans | -79.1 | 104 | 171.5 | -57.5 | 175.1 | 0 | 0 | 0 | 107 | E52 P56 | E52-I54 VanDerWaalsContact C-N 3.33Å; E52-I54 PolarHBondContact O-N 3.24Å; I54-P56 WeakPolarHBondContact O-CD 3.33Å | ||
| 55 | Y | 69 | Low | 61.9 | Low | 184 Ų | 184 | 109.4 Ų | 109.4 | 72% | 0.722 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 116.9 | 164.2 | -64.2 | -81.3 | 0 | 0 | 0 | 107.6 | I53 S57 | I53-Y55 HydrophobicContact CB-CE2 4.36Å; I53-Y55 HydrophobicContact CG2-CD1 4.46Å; I53-Y55 HydrophobicContact CG2-CD2 4.14Å; I53-Y55 HydrophobicContact CG2-CE1 4.04Å; I53-Y55 HydrophobicContact CG2-CE2 3.69Å; I53-Y55 PolarHBondContact O-N 3.3Å; Y55-S57 PolarHBondContact O-N 2.79Å |
| 56 | P | 69.2 | Low | 63.8 | Low | 110 Ų | 110 | 109.6 Ų | 109.6 | 71% | 0.714 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 130.3 | 171.9 | 25 | -31.7 | 0 | 0 | 0 | 107.9 | I54 L58 | I54-P56 WeakPolarHBondContact O-CD 3.33Å; P56-L58 PolarHBondContact O-N 2.79Å |
| 57 | S | 67.5 | Low | 65.9 | Low | 104 Ų | 104 | 107 Ų | 107 | 73% | 0.727 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 124.8 | 172.6 | -52 | 0 | 0 | 0 | 0 | 108.2 | Y55 V59 | Y55-S57 PolarHBondContact O-N 2.79Å; S57-V59 PolarHBondContact O-N 2.88Å |
| 58 | L | 64.3 | Low | 68.2 | Low | 143 Ų | 143 | 106.1 Ų | 106.1 | 75% | 0.749 | 62% | 0.616 | S | S | * | * | trans | -68.1 | 80.4 | 169 | -77.9 | 156.8 | 0 | 0 | 0 | 107.3 | P56 G60 L64 | P56-L58 PolarHBondContact O-N 2.79Å; L58-G60 PolarHBondContact O-N 3.3Å; L58-L64 HydrophobicContact CD2-CD2 4.15Å | ||
| 59 | V | 64.9 | Low | 70.2 | Confident | 128 Ų | 128 | 110.4 Ų | 110.4 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | trans | -64.5 | 103.1 | 179.3 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | S57 A61 | S57-V59 PolarHBondContact O-N 2.88Å; V59-A61 VanDerWaalsContact C-N 3.29Å; V59-A61 PolarHBondContact O-N 3.23Å | ||
| 60 | G | 63.3 | Low | 72.3 | Confident | 72 Ų | 72 | 105.8 Ų | 105.8 | 74% | 0.742 | 61% | 0.614 | S | S | * | * | trans | 38 | 49.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L58 P62 | L58-G60 PolarHBondContact O-N 3.3Å; G60-P62 WeakPolarHBondContact O-CD 3.39Å | ||
| 61 | A | 68.5 | Low | 74 | Confident | 50 Ų | 50 | 107.1 Ų | 107.1 | 41% | 0.413 | 62% | 0.615 | S | S | . | * | trans | -87.8 | 97.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | V59 N63 L64 | V59-A61 VanDerWaalsContact C-N 3.29Å; V59-A61 PolarHBondContact O-N 3.23Å; A61-N63 PolarHBondContact O-N 3.34Å; A61-L64 HydrophobicContact CB-CD2 3.7Å; A61-L64 HydrophobicContact CB-CG 4.33Å; A61-L64 WeakPolarHBondContact O-CG 3.36Å | ||
| 62 | P | 72.5 | Confident | 75.4 | Confident | 110 Ų | 110 | 110.2 Ų | 110.2 | 71% | 0.714 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -29.6 | -176.1 | 26.9 | -36.2 | 0 | 0 | 0 | 112.3 | G60 L64 | G60-P62 WeakPolarHBondContact O-CD 3.39Å; P62-L64 PolarHBondContact O-N 3.4Å |
| 63 | N | 79 | Confident | 76.6 | Confident | 151 Ų | 151 | 107.9 Ų | 107.9 | 81% | 0.807 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 57.4 | -176 | -63.1 | -29.9 | 0 | 0 | 0 | 111.1 | A61 P65 | A61-N63 PolarHBondContact O-N 3.34Å; N63-P65 WeakPolarHBondContact O-CD 3.5Å |
| 64 | L | 79.9 | Confident | 77.9 | Confident | 55 Ų | 55 | 110.6 Ų | 110.6 | 29% | 0.288 | 63% | 0.629 | S | S | . | * | trans | -65.2 | 129.2 | 172.6 | -67.2 | 176.3 | 0 | 0 | 0 | 109.5 | L58 A61 P62 I66 N67 | L58-L64 HydrophobicContact CD2-CD2 4.15Å; A61-L64 HydrophobicContact CB-CD2 3.7Å; A61-L64 HydrophobicContact CB-CG 4.33Å; A61-L64 WeakPolarHBondContact O-CG 3.36Å; P62-L64 PolarHBondContact O-N 3.4Å; L64-I66 HydrophobicContact CB-CG2 3.99Å; L64-I66 HydrophobicContact CD1-CG2 4.44Å; L64-I66 PolarHBondContact O-N 3.02Å; L64-I66 VanDerWaalsContact O-N 3.13Å; L64-N67 WeakPolarHBondContact O-CB 3.35Å; L64-N67 PolarHBondContact O-N 3.42Å | ||
| 65 | P | 82.9 | Confident | 78.8 | Confident | 87 Ų | 87 | 105.5 Ų | 105.5 | 57% | 0.565 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -55.7 | -32.7 | 176.4 | -26.1 | 34.2 | 0 | 0 | 0 | 112.6 | N63 N67 N68 L71 | N63-P65 WeakPolarHBondContact O-CD 3.5Å; P65-N67 PolarHBondContact O-N 2.96Å; P65-N67 VanDerWaalsContact O-N 3.1Å; P65-N68 WeakPolarHBondContact O-CB 3.12Å; P65-N68 PolarHBondContact O-N 3.06Å; P65-L71 HydrophobicContact CB-CD1 3.46Å; P65-L71 VanDerWaalsContact CB-CD1 3.46Å; P65-L71 WeakPolarHBondContact O-CD1 3.33Å |
| 66 | I | 81.2 | Confident | 79.7 | Confident | 98 Ų | 98 | 102.9 Ų | 102.9 | 50% | 0.503 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -61.2 | -21.7 | 178.6 | -158 | 166.1 | 0 | 0 | 0 | 113.2 | L64 N68 H72 | L64-I66 HydrophobicContact CB-CG2 3.99Å; L64-I66 HydrophobicContact CD1-CG2 4.44Å; L64-I66 PolarHBondContact O-N 3.02Å; L64-I66 VanDerWaalsContact O-N 3.13Å; I66-N68 VanDerWaalsContact C-N 3.26Å; I66-N68 PolarHBondContact O-N 3.02Å; I66-H72 PolarHBondContact O-CD2 2.82Å; I66-H72 PolarHBondContact O-NE2 2.8Å |
| 67 | N | 82.3 | Confident | 80.7 | Confident | 111 Ų | 111 | 103.7 Ų | 103.7 | 59% | 0.594 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -83 | -2.1 | 175.9 | -61.5 | -15.6 | 0 | 0 | 0 | 112.7 | L64 P65 | L64-N67 WeakPolarHBondContact O-CB 3.35Å; L64-N67 PolarHBondContact O-N 3.42Å; P65-N67 PolarHBondContact O-N 2.96Å; P65-N67 VanDerWaalsContact O-N 3.1Å |
| 68 | N | 85.6 | Confident | 81.5 | Confident | 84 Ų | 84 | 102.1 Ų | 102.1 | 45% | 0.449 | 60% | 0.604 | S | S | . | * | trans | -80.9 | 125.4 | 179.5 | -173.2 | -65.2 | 0 | 0 | 0 | 110.6 | P65 I66 A70 L71 H72 | P65-N68 WeakPolarHBondContact O-CB 3.12Å; P65-N68 PolarHBondContact O-N 3.06Å; I66-N68 VanDerWaalsContact C-N 3.26Å; I66-N68 PolarHBondContact O-N 3.02Å; N68-A70 VanDerWaalsContact C-N 3.26Å; N68-A70 PolarHBondContact O-N 3.48Å; N68-A70 WeakPolarHBondContact OD1-CA 3.44Å; N68-A70 WeakPolarHBondContact OD1-CB 3.49Å; N68-A70 PolarHBondContact OD1-N 3.46Å; N68-L71 HydrophobicContact CB-CB 4.33Å; N68-L71 HydrophobicContact CB-CD1 4.33Å; N68-L71 HydrophobicContact CB-CG 4.29Å; N68-L71 PolarHBondContact O-N 3.06Å; N68-L71 PolarHBondContact OD1-N 2.77Å; N68-H72 PolarHBondContact O-N 2.88Å | ||
| 69 | E | 88 | Confident | 82.1 | Confident | 164 Ų | 164 | 99.1 Ų | 99.1 | 77% | 0.766 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -58 | -35.2 | 179.6 | -67.3 | -176.3 | 165.8 | 0 | 0 | 113.5 | L71 H72 T73 | E69-L71 VanDerWaalsContact C-N 3.32Å; E69-L71 PolarHBondContact O-N 2.92Å; E69-H72 PolarHBondContact O-N 2.7Å; E69-T73 WeakPolarHBondContact O-CB 3.48Å; E69-T73 PolarHBondContact O-N 3.13Å; E69-T73 PolarHBondContact O-OG1 3.32Å |
| 70 | A | 91.6 | Very high | 83 | Confident | 52 Ų | 52 | 94.9 Ų | 94.9 | 43% | 0.43 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.9 | -36.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N68 T73 L74 | N68-A70 VanDerWaalsContact C-N 3.26Å; N68-A70 PolarHBondContact O-N 3.48Å; N68-A70 WeakPolarHBondContact OD1-CA 3.44Å; N68-A70 WeakPolarHBondContact OD1-CB 3.49Å; N68-A70 PolarHBondContact OD1-N 3.46Å; A70-T73 PolarHBondContact O-N 2.83Å; A70-L74 VanDerWaalsContact O-CB 3.3Å; A70-L74 WeakPolarHBondContact O-CB 3.23Å; A70-L74 WeakPolarHBondContact O-CG 3.47Å; A70-L74 PolarHBondContact O-N 3.36Å |
| 71 | L | 88.6 | Confident | 84.3 | Confident | 67 Ų | 67 | 93.7 Ų | 93.7 | 35% | 0.351 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.8 | -36.4 | 175.2 | -71.5 | -179.2 | 0 | 0 | 0 | 112.4 | P65 N68 E69 T73 G75 | P65-L71 HydrophobicContact CB-CD1 3.46Å; P65-L71 VanDerWaalsContact CB-CD1 3.46Å; P65-L71 WeakPolarHBondContact O-CD1 3.33Å; N68-L71 HydrophobicContact CB-CB 4.33Å; N68-L71 HydrophobicContact CB-CD1 4.33Å; N68-L71 HydrophobicContact CB-CG 4.29Å; N68-L71 PolarHBondContact O-N 3.06Å; N68-L71 PolarHBondContact OD1-N 2.77Å; E69-L71 VanDerWaalsContact C-N 3.32Å; E69-L71 PolarHBondContact O-N 2.92Å; L71-T73 VanDerWaalsContact C-N 3.28Å; L71-T73 PolarHBondContact O-N 3.03Å; L71-G75 WeakPolarHBondContact O-CA 3.4Å; L71-G75 PolarHBondContact O-N 3.11Å |
| 72 | H | 86.1 | Confident | 85.5 | Confident | 139 Ų | 139 | 96.2 Ų | 96.2 | 64% | 0.644 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.7 | -39.1 | 170.5 | -93.6 | -77.2 | 0 | 0 | 0 | 112.4 | I66 N68 E69 | I66-H72 PolarHBondContact O-CD2 2.82Å; I66-H72 PolarHBondContact O-NE2 2.8Å; N68-H72 PolarHBondContact O-N 2.88Å; E69-H72 PolarHBondContact O-N 2.7Å |
| 73 | T | 90.9 | Very high | 86.6 | Confident | 122 Ų | 122 | 93 Ų | 93 | 75% | 0.748 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -74.2 | -43.1 | -179.3 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | E69 A70 L71 | E69-T73 WeakPolarHBondContact O-CB 3.48Å; E69-T73 PolarHBondContact O-N 3.13Å; E69-T73 PolarHBondContact O-OG1 3.32Å; A70-T73 PolarHBondContact O-N 2.83Å; L71-T73 VanDerWaalsContact C-N 3.28Å; L71-T73 PolarHBondContact O-N 3.03Å |
| 74 | L | 91.7 | Very high | 87.5 | Confident | 145 Ų | 145 | 92 Ų | 92 | 76% | 0.759 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -83 | -22.9 | -176.3 | -64.7 | 173.8 | 0 | 0 | 0 | 113 | A70 | A70-L74 VanDerWaalsContact O-CB 3.3Å; A70-L74 WeakPolarHBondContact O-CB 3.23Å; A70-L74 WeakPolarHBondContact O-CG 3.47Å; A70-L74 PolarHBondContact O-N 3.36Å |
| 75 | G | 87.9 | Confident | 88.3 | Confident | 40 Ų | 40 | 90.4 Ų | 90.4 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | trans | 74.7 | 172.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | L71 | L71-G75 WeakPolarHBondContact O-CA 3.4Å; L71-G75 PolarHBondContact O-N 3.11Å | ||
| 76 | I | 87.6 | Confident | 89 | Confident | 128 Ų | 128 | 89.2 Ų | 89.2 | 66% | 0.656 | 50% | 0.499 | S | S | * | . | trans | -109.8 | 127.8 | 178.8 | -60.4 | 173.8 | 0 | 0 | 0 | 108.3 | S78 | I76-S78 PolarHBondContact O-N 3.12Š| ||
| 77 | P | 89.8 | Confident | 89.7 | Confident | 128 Ų | 128 | 85.8 Ų | 85.8 | 83% | 0.831 | 49% | 0.487 | S | S | * | . | trans | -57.5 | 129.4 | 174 | -24.3 | 33.8 | 0 | 0 | 0 | 111.7 | ||||
| 78 | S | 84.4 | Confident | 90.4 | Very high | 70 Ų | 70 | 80.8 Ų | 80.8 | 49% | 0.49 | 46% | 0.461 | S | S | . | . | trans | -110.8 | 133.5 | 169.6 | 173.4 | 0 | 0 | 0 | 0 | 109.8 | I76 S80 | I76-S78 PolarHBondContact O-N 3.12Å; S78-S80 VanDerWaalsContact C-N 3.33Å; S78-S80 PolarHBondContact OG-N 3.24Å; S78-S80 PolarHBondContact OG-O 2.87Å | ||
| 79 | S | 77.5 | Confident | 91.1 | Very high | 80 Ų | 80 | 79.7 Ų | 79.7 | 56% | 0.559 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -75.4 | -23.7 | 175.3 | 55 | 0 | 0 | 0 | 0 | 113.1 | ||
| 80 | S | 83.4 | Confident | 91.5 | Very high | 40 Ų | 40 | 71.9 Ų | 71.9 | 28% | 0.28 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 152.4 | -173.8 | 61.2 | 0 | 0 | 0 | 0 | 113.1 | S78 Y92 | S78-S80 VanDerWaalsContact C-N 3.33Å; S78-S80 PolarHBondContact OG-N 3.24Å; S78-S80 PolarHBondContact OG-O 2.87Å; S80-Y92 WeakPolarHBondContact CA-O 3.34Å |
| 81 | H | 90.1 | Very high | 91.8 | Very high | 47 Ų | 47 | 70 Ų | 70 | 22% | 0.218 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 117 | 170.3 | -174 | -175.8 | 0 | 0 | 0 | 110 | R83 Y92 G133 E134 | H81-R83 WeakPolarHBondContact NE2-CD 3.46Å; H81-Y92 PolarHBondContact N-O 2.84Å; H81-Y92 PolarHBondContact O-N 2.97Å; H81-G133 PolarHBondContact CE1-O 2.72Å; H81-E134 WeakPolarHBondContact CB-OE2 3.3Å; H81-E134 IonicContact CE1-OE2 3.98Å; H81-E134 IonicContact CG-OE2 3.51Å; H81-E134 IonicContact ND1-OE1 3.78Å; H81-E134 IonicContact ND1-OE2 2.8Å; H81-E134 PolarHBondContact ND1-OE2 3.45Å |
| 82 | L | 94.9 | Very high | 92.3 | Very high | 102 Ų | 102 | 67 Ų | 67 | 53% | 0.534 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 127.8 | 174.1 | 177.6 | 68.2 | 0 | 0 | 0 | 110 | I89 V91 | L82-I89 HydrophobicContact CD1-CG2 3.46Å; L82-I89 VanDerWaalsContact CD1-CG2 3.46Å; L82-V91 HydrophobicContact CD1-CG2 3.65Å |
| 83 | R | 95.1 | Very high | 92.8 | Very high | 42 Ų | 42 | 60.8 Ų | 60.8 | 16% | 0.158 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 132.8 | 177.3 | -64.9 | -62.7 | -65 | -80.5 | -11.6 | 110.3 | H81 F85 C90 D131 | H81-R83 WeakPolarHBondContact NE2-CD 3.46Å; R83-F85 HydrophobicContact CB-CD2 4.18Å; R83-F85 HydrophobicContact CB-CE2 3.46Å; R83-F85 VanDerWaalsContact CB-CE2 3.46Å; R83-F85 HydrophobicContact CB-CZ 3.81Å; R83-F85 HydrophobicContact CG-CE2 4.42Å; R83-F85 HydrophobicContact CG-CZ 4.41Å; R83-C90 HydrophobicContact CB-CB 4.39Å; R83-C90 PolarHBondContact N-O 2.8Å; R83-C90 PolarHBondContact O-N 2.95Å; R83-D131 IonicContact CZ-OD1 2.72Å; R83-D131 VanDerWaalsContact CZ-OD1 3.25Å; R83-D131 IonicContact CZ-OD2 3.06Å; R83-D131 VanDerWaalsContact CZ-OD2 3.29Å; R83-D131 IonicContact NH1-OD1 3.37Å; R83-D131 PolarHBondContact NH1-OD1 3.45Å; R83-D131 IonicContact NH1-OD2 3.25Å; R83-D131 PolarHBondContact NH1-OD2 2.83Å; R83-D131 IonicContact NH2-OD1 3.29Å; R83-D131 PolarHBondContact NH2-OD1 3.36Å; R83-D131 IonicContact NH2-OD2 3.45Å; R83-D131 PolarHBondContact NH2-OD2 3.28Å |
| 84 | I | 97.3 | Very high | 93 | Very high | 130 Ų | 130 | 57.4 Ų | 57.4 | 67% | 0.667 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 119.3 | 177.6 | -57 | 174.1 | 0 | 0 | 0 | 106.7 | ||
| 85 | F | 97.8 | Very high | 93.3 | Very high | 22 Ų | 22 | 58.8 Ų | 58.8 | 10% | 0.096 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 165.5 | 178.6 | -64.1 | -75.9 | 0 | 0 | 0 | 109.7 | R83 G87 Y88 C90 Q170 I173 | R83-F85 HydrophobicContact CB-CD2 4.18Å; R83-F85 HydrophobicContact CB-CE2 3.46Å; R83-F85 VanDerWaalsContact CB-CE2 3.46Å; R83-F85 HydrophobicContact CB-CZ 3.81Å; R83-F85 HydrophobicContact CG-CE2 4.42Å; R83-F85 HydrophobicContact CG-CZ 4.41Å; F85-G87 PolarHBondContact O-N 2.91Å; F85-G87 VanDerWaalsContact O-N 3.15Å; F85-Y88 CarbonylContact C-O 3.47Å; F85-Y88 WeakPolarHBondContact CA-O 3.49Å; F85-Y88 HydrophobicContact CB-CD1 3.8Å; F85-Y88 HydrophobicContact CB-CD2 4.48Å; F85-Y88 HydrophobicContact CB-CE1 3.47Å; F85-Y88 VanDerWaalsContact CB-CE1 3.47Å; F85-Y88 HydrophobicContact CB-CE2 4.23Å; F85-Y88 HydrophobicContact CB-CG 4.29Å; F85-Y88 HydrophobicContact CD2-CD2 4.09Å; F85-Y88 HydrophobicContact CD2-CE1 4.13Å; F85-Y88 AromaticContact CD2-CE2 3.41Å; F85-Y88 HydrophobicContact CD2-CE2 3.41Å; F85-Y88 VanDerWaalsContact CD2-CE2 3.41Å; F85-Y88 AromaticContact CD2-CZ 3.42Å; F85-Y88 VanDerWaalsContact CD2-CZ 3.42Å; F85-Y88 WeakPolarHBondContact CD2-OH 3.24Å; F85-Y88 HydrophobicContact CE2-CE2 4.04Å; F85-Y88 AromaticContact CG-CE1 3.94Å; F85-Y88 HydrophobicContact CG-CE1 3.94Å; F85-Y88 HydrophobicContact CG-CE2 4.08Å; F85-Y88 AromaticContact CG-CZ 3.64Å; F85-Y88 PolarHBondContact N-O 2.89Å; F85-Y88 PolarHBondContact O-N 2.7Å; F85-Y88 VanDerWaalsContact O-O 3.06Å; F85-C90 HydrophobicContact CD2-CB 4.19Å; F85-C90 HydrophobicContact CE2-CB 3.86Å; F85-Q170 VanDerWaalsContact CA-OE1 3.29Å; F85-Q170 HydrophobicContact CB-CB 4.42Å; F85-Q170 VanDerWaalsContact CB-OE1 3.28Å; F85-Q170 HydrophobicContact CD1-CB 4.34Å; F85-I173 HydrophobicContact CE1-CD1 3.63Å; F85-I173 HydrophobicContact CE1-CG2 4.07Å; F85-I173 HydrophobicContact CE2-CG2 4.48Å; F85-I173 HydrophobicContact CZ-CD1 3.89Å; F85-I173 HydrophobicContact CZ-CG2 3.95Å |
| 86 | D | 96.4 | Very high | 93.7 | Very high | 63 Ų | 63 | 57.7 Ų | 57.7 | 34% | 0.337 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 113 | 168.4 | -173.9 | 8 | 0 | 0 | 0 | 108.9 | S164 S166 A167 | D86-S164 PolarHBondContact OD2-OG 3.02Å; D86-S164 VanDerWaalsContact OD2-OG 3.12Å; D86-S166 WeakPolarHBondContact OD2-CB 3.37Å; D86-S166 PolarHBondContact OD2-OG 3.5Å; D86-A167 HydrophobicContact CB-CB 4.12Å; D86-A167 WeakPolarHBondContact O-CA 3.5Å; D86-A167 WeakPolarHBondContact O-CB 3.44Å; D86-A167 PolarHBondContact OD2-N 3.39Å; D86-A167 VanDerWaalsContact OD2-N 3.08Å |
| 87 | G | 96.1 | Very high | 94.2 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 26% | 0.258 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -18.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | F85 | F85-G87 PolarHBondContact O-N 2.91Å; F85-G87 VanDerWaalsContact O-N 3.15Å |
| 88 | Y | 98.6 | Very high | 94.6 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 160.7 | -176.4 | 73.3 | -79.1 | 0 | 0 | 0 | 114.7 | F85 C90 V102 M103 A156 Q170 T171 I173 N176 | F85-Y88 CarbonylContact C-O 3.47Å; F85-Y88 WeakPolarHBondContact CA-O 3.49Å; F85-Y88 HydrophobicContact CB-CD1 3.8Å; F85-Y88 HydrophobicContact CB-CD2 4.48Å; F85-Y88 HydrophobicContact CB-CE1 3.47Å; F85-Y88 VanDerWaalsContact CB-CE1 3.47Å; F85-Y88 HydrophobicContact CB-CE2 4.23Å; F85-Y88 HydrophobicContact CB-CG 4.29Å; F85-Y88 HydrophobicContact CD2-CD2 4.09Å; F85-Y88 HydrophobicContact CD2-CE1 4.13Å; F85-Y88 AromaticContact CD2-CE2 3.41Å; F85-Y88 HydrophobicContact CD2-CE2 3.41Å; F85-Y88 VanDerWaalsContact CD2-CE2 3.41Å; F85-Y88 AromaticContact CD2-CZ 3.42Å; F85-Y88 VanDerWaalsContact CD2-CZ 3.42Å; F85-Y88 WeakPolarHBondContact CD2-OH 3.24Å; F85-Y88 HydrophobicContact CE2-CE2 4.04Å; F85-Y88 AromaticContact CG-CE1 3.94Å; F85-Y88 HydrophobicContact CG-CE1 3.94Å; F85-Y88 HydrophobicContact CG-CE2 4.08Å; F85-Y88 AromaticContact CG-CZ 3.64Å; F85-Y88 PolarHBondContact N-O 2.89Å; F85-Y88 PolarHBondContact O-N 2.7Å; F85-Y88 VanDerWaalsContact O-O 3.06Å; Y88-C90 HydrophobicContact CD2-CB 4.47Å; Y88-C90 HydrophobicContact CE2-CB 4.15Å; Y88-V102 HydrophobicContact CD2-CB 4.15Å; Y88-V102 HydrophobicContact CD2-CG1 4.32Å; Y88-V102 HydrophobicContact CE2-CG1 4.38Å; Y88-M103 VanDerWaalsContact CA-O 3.31Å; Y88-M103 WeakPolarHBondContact CA-O 3.11Å; Y88-M103 WeakPolarHBondContact CB-O 3.43Å; Y88-A156 HydrophobicContact CD1-CB 4.02Å; Y88-A156 HydrophobicContact CD2-CB 3.64Å; Y88-A156 HydrophobicContact CE1-CB 4.31Å; Y88-A156 HydrophobicContact CE2-CB 3.94Å; Y88-A156 HydrophobicContact CG-CB 3.68Å; Y88-Q170 HydrophobicContact CE1-CB 4.44Å; Y88-Q170 PolarHBondContact OH-O 3.27Å; Y88-T171 HydrophobicContact CE1-CG2 4.15Å; Y88-I173 WeakPolarHBondContact OH-CG2 3.22Å; Y88-N176 HydrophobicContact CE2-CB 4.18Å; Y88-N176 WeakPolarHBondContact OH-CB 3.14Å |
| 89 | I | 98.5 | Very high | 95.3 | Very high | 60 Ų | 60 | 44.3 Ų | 44.3 | 31% | 0.308 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 142 | 172.3 | -61.1 | 170.2 | 0 | 0 | 0 | 108.1 | L82 W101 V102 M103 | L82-I89 HydrophobicContact CD1-CG2 3.46Å; L82-I89 VanDerWaalsContact CD1-CG2 3.46Å; I89-W101 HydrophobicContact CG2-CH2 4.43Å; I89-W101 HydrophobicContact CG2-CZ3 4.15Å; I89-V102 CarbonylContact O-C 3.56Å; I89-V102 WeakPolarHBondContact O-CA 3.36Å; I89-V102 WeakPolarHBondContact O-CB 3.42Å; I89-M103 HydrophobicContact CB-CB 4.41Å; I89-M103 PolarHBondContact N-O 3.37Å; I89-M103 PolarHBondContact O-N 3.37Å |
| 90 | C | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 134 | 174.2 | 178.8 | 0 | 0 | 0 | 0 | 110.2 | R83 F85 Y88 V102 S175 | R83-C90 HydrophobicContact CB-CB 4.39Å; R83-C90 PolarHBondContact N-O 2.8Å; R83-C90 PolarHBondContact O-N 2.95Å; F85-C90 HydrophobicContact CD2-CB 4.19Å; F85-C90 HydrophobicContact CE2-CB 3.86Å; Y88-C90 HydrophobicContact CD2-CB 4.47Å; Y88-C90 HydrophobicContact CE2-CB 4.15Å; C90-V102 HydrophobicContact CB-CG1 3.99Å; C90-S175 PolarHBondContact SG-O 3.18Å |
| 91 | V | 97.7 | Very high | 97 | Very high | 13 Ų | 13 | 43.2 Ų | 43.2 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 110.6 | 164.9 | 172.4 | 0 | 0 | 0 | 0 | 107.6 | L82 Y100 W101 | L82-V91 HydrophobicContact CD1-CG2 3.65Å; V91-Y100 HydrophobicContact CG1-CD2 3.84Å; V91-Y100 WeakPolarHBondContact O-CB 3.49Å; V91-Y100 PolarHBondContact O-N 2.78Å; V91-W101 HydrophobicContact CB-CD2 4.16Å; V91-W101 HydrophobicContact CB-CH2 4.26Å; V91-W101 HydrophobicContact CB-CZ2 3.87Å; V91-W101 HydrophobicContact CG2-CD2 4.34Å; V91-W101 HydrophobicContact CG2-CE3 4.43Å; V91-W101 HydrophobicContact CG2-CH2 3.4Å; V91-W101 VanDerWaalsContact CG2-CH2 3.4Å; V91-W101 HydrophobicContact CG2-CZ2 3.27Å; V91-W101 HydrophobicContact CG2-CZ3 4Å; V91-W101 PolarHBondContact N-O 3.05Å; V91-W101 PolarHBondContact O-N 2.8Å |
| 92 | Y | 97.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 135.1 | -171 | -169.9 | -115.5 | 0 | 0 | 0 | 112.2 | S80 H81 R94 R97 I98 E134 F138 | S80-Y92 WeakPolarHBondContact CA-O 3.34Å; H81-Y92 PolarHBondContact N-O 2.84Å; H81-Y92 PolarHBondContact O-N 2.97Å; Y92-R94 HydrophobicContact CD1-CG 4.28Å; Y92-R97 WeakPolarHBondContact OH-CA 3.48Å; Y92-R97 WeakPolarHBondContact OH-CB 3.17Å; Y92-R97 PolarHBondContact OH-O 3.09Å; Y92-R97 VanDerWaalsContact OH-O 3.09Å; Y92-I98 WeakPolarHBondContact CD2-O 3.48Å; Y92-E134 HydrophobicContact CE1-CG 4.35Å; Y92-F138 WeakPolarHBondContact CE1-O 3.34Å; Y92-F138 PolarHBondContact OH-O 3.46Å |
| 93 | D | 97.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.043 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 101.9 | 172.8 | -176.7 | -18.3 | 0 | 0 | 0 | 109.5 | R95 N96 R97 I98 Y100 | D93-R95 PolarHBondContact O-N 2.91Å; D93-R95 WeakPolarHBondContact OD1-CA 3.45Å; D93-R95 WeakPolarHBondContact OD1-CB 3.11Å; D93-R95 PolarHBondContact OD1-N 3.01Å; D93-N96 HydrophobicContact CB-CB 4.41Å; D93-N96 PolarHBondContact O-N 2.91Å; D93-N96 PolarHBondContact OD1-N 3.38Å; D93-N96 VanDerWaalsContact OD1-N 3.1Å; D93-N96 WeakPolarHBondContact OD2-CB 3.22Å; D93-N96 PolarHBondContact OD2-ND2 2.89Å; D93-R97 VanDerWaalsContact O-CA 3.3Å; D93-R97 WeakPolarHBondContact O-CA 3.31Å; D93-R97 PolarHBondContact O-N 2.78Å; D93-I98 WeakPolarHBondContact CA-O 3.31Å; D93-I98 VanDerWaalsContact CB-O 3.23Å; D93-I98 WeakPolarHBondContact CB-O 3.35Å; D93-I98 PolarHBondContact N-O 2.79Å; D93-Y100 HydrophobicContact CB-CD1 3.86Å; D93-Y100 HydrophobicContact CB-CD2 3.8Å; D93-Y100 HydrophobicContact CB-CE1 3.67Å; D93-Y100 HydrophobicContact CB-CE2 3.65Å; D93-Y100 HydrophobicContact CB-CG 3.91Å; D93-Y100 VanDerWaalsContact CG-CE1 3.46Å; D93-Y100 PolarHBondContact OD1-OH 2.73Å; D93-Y100 WeakPolarHBondContact OD2-CE1 3.47Å |
| 94 | R | 95.9 | Very high | 97.8 | Very high | 51 Ų | 51 | 37 Ų | 37 | 19% | 0.192 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -28.4 | -180 | -73.3 | 176.4 | 165 | 170.6 | -8.5 | 113.6 | Y92 E134 F138 | Y92-R94 HydrophobicContact CD1-CG 4.28Å; R94-E134 IonicContact CZ-OE1 3.33Å; R94-E134 IonicContact CZ-OE2 3.69Å; R94-E134 VanDerWaalsContact NE-CD 3.31Å; R94-E134 IonicContact NE-OE1 2.78Å; R94-E134 PolarHBondContact NE-OE1 3.07Å; R94-E134 IonicContact NE-OE2 2.68Å; R94-E134 PolarHBondContact NE-OE2 3.38Å; R94-E134 IonicContact NH2-OE1 2.82Å; R94-E134 PolarHBondContact NH2-OE1 2.89Å; R94-E134 IonicContact NH2-OE2 3.51Å; R94-F138 HydrophobicContact CB-CB 3.98Å; R94-F138 HydrophobicContact CB-CD1 3.86Å; R94-F138 HydrophobicContact CB-CD2 4.2Å; R94-F138 HydrophobicContact CB-CE1 4.4Å; R94-F138 HydrophobicContact CB-CG 3.76Å; R94-F138 HydrophobicContact CG-CB 3.92Å; R94-F138 HydrophobicContact CG-CD1 4.47Å; R94-F138 HydrophobicContact CG-CD2 3.95Å; R94-F138 HydrophobicContact CG-CG 3.87Å |
| 95 | R | 96 | Very high | 97.8 | Very high | 175 Ų | 175 | 34 Ų | 34 | 66% | 0.66 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -47.3 | -178.3 | -170.6 | -174.5 | 88.8 | 176.1 | 7.7 | 110.7 | D93 R97 | D93-R95 PolarHBondContact O-N 2.91Å; D93-R95 WeakPolarHBondContact OD1-CA 3.45Å; D93-R95 WeakPolarHBondContact OD1-CB 3.11Å; D93-R95 PolarHBondContact OD1-N 3.01Å; R95-R97 PolarHBondContact O-NH1 3.44Å; R95-R97 VanDerWaalsContact O-NH1 3.13Å |
| 96 | N | 97.9 | Very high | 97.8 | Very high | 16 Ų | 16 | 33 Ų | 33 | 9% | 0.086 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -10 | -175.8 | -67.2 | -37.4 | 0 | 0 | 0 | 113.1 | D93 I98 A237 | D93-N96 HydrophobicContact CB-CB 4.41Å; D93-N96 PolarHBondContact O-N 2.91Å; D93-N96 PolarHBondContact OD1-N 3.38Å; D93-N96 VanDerWaalsContact OD1-N 3.1Å; D93-N96 WeakPolarHBondContact OD2-CB 3.22Å; D93-N96 PolarHBondContact OD2-ND2 2.89Å; N96-I98 VanDerWaalsContact C-N 3.28Å; N96-I98 HydrophobicContact CB-CD1 4.34Å; N96-I98 HydrophobicContact CB-CG1 3.94Å; N96-I98 PolarHBondContact O-N 2.95Å; N96-A237 HydrophobicContact CB-CB 3.75Å; N96-A237 PolarHBondContact O-N 2.93Å |
| 97 | R | 97.9 | Very high | 97.8 | Very high | 44 Ų | 44 | 31.3 Ų | 31.3 | 17% | 0.166 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 36.6 | 177 | -58.1 | 177.3 | -179.9 | 67.5 | 7.7 | 113.8 | Y92 D93 R95 M137 F138 N234 I236 | Y92-R97 WeakPolarHBondContact OH-CA 3.48Å; Y92-R97 WeakPolarHBondContact OH-CB 3.17Å; Y92-R97 PolarHBondContact OH-O 3.09Å; Y92-R97 VanDerWaalsContact OH-O 3.09Å; D93-R97 VanDerWaalsContact O-CA 3.3Å; D93-R97 WeakPolarHBondContact O-CA 3.31Å; D93-R97 PolarHBondContact O-N 2.78Å; R95-R97 PolarHBondContact O-NH1 3.44Å; R95-R97 VanDerWaalsContact O-NH1 3.13Å; R97-M137 PolarHBondContact NE-O 3.24Å; R97-M137 PolarHBondContact NH2-O 3.46Å; R97-F138 WeakPolarHBondContact CG-O 3.21Å; R97-N234 VanDerWaalsContact CD-O 3.24Å; R97-N234 WeakPolarHBondContact CD-O 3.4Å; R97-N234 PolarHBondContact NE-O 3.34Å; R97-N234 PolarHBondContact NH1-O 2.95Å; R97-I236 HydrophobicContact CB-CG1 4.16Å |
| 98 | I | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 165 | 176.3 | 59 | 176.5 | 0 | 0 | 0 | 108.3 | Y92 D93 N96 A178 P213 F215 I236 A237 P239 | Y92-I98 WeakPolarHBondContact CD2-O 3.48Å; D93-I98 WeakPolarHBondContact CA-O 3.31Å; D93-I98 VanDerWaalsContact CB-O 3.23Å; D93-I98 WeakPolarHBondContact CB-O 3.35Å; D93-I98 PolarHBondContact N-O 2.79Å; N96-I98 VanDerWaalsContact C-N 3.28Å; N96-I98 HydrophobicContact CB-CD1 4.34Å; N96-I98 HydrophobicContact CB-CG1 3.94Å; N96-I98 PolarHBondContact O-N 2.95Å; I98-A178 HydrophobicContact CB-CB 4.14Å; I98-A178 HydrophobicContact CG2-CB 3.86Å; I98-P213 HydrophobicContact CD1-CB 4.07Å; I98-P213 HydrophobicContact CD1-CG 3.81Å; I98-P213 HydrophobicContact CG1-CG 4.46Å; I98-F215 HydrophobicContact CD1-CE2 4.1Å; I98-F215 HydrophobicContact CD1-CZ 3.75Å; I98-I236 HydrophobicContact CG2-CG2 3.55Å; I98-A237 HydrophobicContact CD1-CB 4.39Å; I98-P239 HydrophobicContact CD1-CG 3.81Å |
| 99 | P | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 141.1 | 172 | -17.7 | 28.6 | 0 | 0 | 0 | 111.8 | W101 V102 L155 S175 P213 | P99-W101 VanDerWaalsContact C-N 3.31Å; P99-V102 HydrophobicContact CB-CG1 4.08Å; P99-V102 HydrophobicContact CG-CG1 4.24Å; P99-L155 HydrophobicContact CB-CD2 3.71Å; P99-L155 HydrophobicContact CG-CD1 4.41Å; P99-L155 HydrophobicContact CG-CD2 3.72Å; P99-L155 HydrophobicContact CG-CG 4.43Å; P99-S175 WeakPolarHBondContact CG-O 3.4Å; P99-P213 WeakPolarHBondContact O-CD 3.49Å; P99-P213 WeakPolarHBondContact O-CG 3.41Å |
| 100 | Y | 98.3 | Very high | 96.6 | Very high | 56 Ų | 56 | 35.9 Ų | 35.9 | 22% | 0.22 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | -43.7 | 155.7 | -76.9 | -59.9 | 0 | 0 | 0 | 110.1 | V91 D93 P213 W290 | V91-Y100 HydrophobicContact CG1-CD2 3.84Å; V91-Y100 WeakPolarHBondContact O-CB 3.49Å; V91-Y100 PolarHBondContact O-N 2.78Å; D93-Y100 HydrophobicContact CB-CD1 3.86Å; D93-Y100 HydrophobicContact CB-CD2 3.8Å; D93-Y100 HydrophobicContact CB-CE1 3.67Å; D93-Y100 HydrophobicContact CB-CE2 3.65Å; D93-Y100 HydrophobicContact CB-CG 3.91Å; D93-Y100 VanDerWaalsContact CG-CE1 3.46Å; D93-Y100 PolarHBondContact OD1-OH 2.73Å; D93-Y100 WeakPolarHBondContact OD2-CE1 3.47Å; Y100-P213 WeakPolarHBondContact O-CD 3.43Å; Y100-W290 AromaticContact CD1-CZ2 3.96Å; Y100-W290 HydrophobicContact CD1-CZ2 3.96Å; Y100-W290 HydrophobicContact CD2-CZ2 4.08Å; Y100-W290 AromaticContact CG-CZ2 3.68Å; Y100-W290 HydrophobicContact CG-CZ2 3.68Å |
| 101 | W | 98.7 | Very high | 96.2 | Very high | 41 Ų | 41 | 36.1 Ų | 36.1 | 16% | 0.155 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 162.7 | 171.5 | 50.6 | -97.7 | 0 | 0 | 0 | 110.5 | I89 V91 P99 M103 I210 T211 F243 W290 | I89-W101 HydrophobicContact CG2-CH2 4.43Å; I89-W101 HydrophobicContact CG2-CZ3 4.15Å; V91-W101 HydrophobicContact CB-CD2 4.16Å; V91-W101 HydrophobicContact CB-CH2 4.26Å; V91-W101 HydrophobicContact CB-CZ2 3.87Å; V91-W101 HydrophobicContact CG2-CD2 4.34Å; V91-W101 HydrophobicContact CG2-CE3 4.43Å; V91-W101 HydrophobicContact CG2-CH2 3.4Å; V91-W101 VanDerWaalsContact CG2-CH2 3.4Å; V91-W101 HydrophobicContact CG2-CZ2 3.27Å; V91-W101 HydrophobicContact CG2-CZ3 4Å; V91-W101 PolarHBondContact N-O 3.05Å; V91-W101 PolarHBondContact O-N 2.8Å; P99-W101 VanDerWaalsContact C-N 3.31Å; W101-M103 HydrophobicContact CE3-CB 4.07Å; W101-M103 HydrophobicContact CZ3-CB 3.75Å; W101-I210 HydrophobicContact CB-CG2 3.74Å; W101-I210 HydrophobicContact CD2-CG2 4.33Å; W101-I210 HydrophobicContact CE3-CG2 4.39Å; W101-I210 HydrophobicContact CG-CG2 4.09Å; W101-T211 CarbonylContact C-O 3.52Å; W101-T211 WeakPolarHBondContact CA-O 3.43Å; W101-T211 WeakPolarHBondContact CB-O 3.38Å; W101-F243 HydrophobicContact CB-CZ 4.37Å; W101-W290 AromaticContact CD1-CD1 3.84Å; W101-W290 AromaticContact CD1-CD2 3.91Å; W101-W290 AromaticContact CD1-CE2 3.66Å; W101-W290 AromaticContact CD1-NE1 3.61Å; W101-W290 AromaticContact NE1-CD2 3.68Å; W101-W290 AromaticContact NE1-CE2 3.68Å; W101-W290 AromaticContact NE1-CE3 3.93Å; W101-W290 AromaticContact NE1-CZ2 3.96Å |
| 102 | V | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 155.2 | 164.2 | -52.7 | 0 | 0 | 0 | 0 | 110.1 | Y88 I89 C90 P99 L155 A156 N176 I210 T211 | Y88-V102 HydrophobicContact CD2-CB 4.15Å; Y88-V102 HydrophobicContact CD2-CG1 4.32Å; Y88-V102 HydrophobicContact CE2-CG1 4.38Å; I89-V102 CarbonylContact O-C 3.56Å; I89-V102 WeakPolarHBondContact O-CA 3.36Å; I89-V102 WeakPolarHBondContact O-CB 3.42Å; C90-V102 HydrophobicContact CB-CG1 3.99Å; P99-V102 HydrophobicContact CB-CG1 4.08Å; P99-V102 HydrophobicContact CG-CG1 4.24Å; V102-L155 HydrophobicContact CG1-CB 3.99Å; V102-L155 HydrophobicContact CG2-CB 3.72Å; V102-A156 HydrophobicContact CB-CB 4.37Å; V102-A156 HydrophobicContact CG2-CB 3.92Å; V102-N176 WeakPolarHBondContact CG1-OD1 3.19Å; V102-I210 CarbonylContact O-C 3.6Å; V102-I210 WeakPolarHBondContact O-CA 3.4Å; V102-T211 PolarHBondContact N-O 3.26Å; V102-T211 PolarHBondContact O-N 3.42Å |
| 103 | M | 98.8 | Very high | 93.2 | Very high | 60 Ų | 60 | 42.2 Ų | 42.2 | 30% | 0.296 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 123 | -177.6 | -176.6 | 177.4 | -178.4 | 0 | 0 | 110.3 | Y88 I89 W101 V208 V209 I210 F293 | Y88-M103 VanDerWaalsContact CA-O 3.31Å; Y88-M103 WeakPolarHBondContact CA-O 3.11Å; Y88-M103 WeakPolarHBondContact CB-O 3.43Å; I89-M103 HydrophobicContact CB-CB 4.41Å; I89-M103 PolarHBondContact N-O 3.37Å; I89-M103 PolarHBondContact O-N 3.37Å; W101-M103 HydrophobicContact CE3-CB 4.07Å; W101-M103 HydrophobicContact CZ3-CB 3.75Å; M103-V208 HydrophobicContact CE-CG1 3.37Å; M103-V208 HydrophobicContact CG-CG1 3.91Å; M103-V208 HydrophobicContact SD-CG1 4.48Å; M103-V209 CarbonylContact C-O 3.57Å; M103-V209 WeakPolarHBondContact CA-O 3.28Å; M103-I210 HydrophobicContact CB-CG1 4.2Å; M103-I210 HydrophobicContact CG-CG1 3.94Å; M103-I210 HydrophobicContact SD-CG1 4.46Å; M103-F293 HydrophobicContact CE-CE1 4.35Å |
| 104 | E | 98.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 141.1 | -176.9 | -62.4 | 176.7 | 94.9 | 0 | 0 | 110.4 | L106 A156 A157 N160 H161 V208 V209 | E104-L106 HydrophobicContact CB-CD2 4.28Å; E104-A156 HydrophobicContact CG-CB 4.09Å; E104-A157 PolarHBondContact OE1-N 2.85Å; E104-N160 PolarHBondContact OE1-ND2 3.18Å; E104-N160 PolarHBondContact OE2-ND2 2.74Å; E104-H161 IonicContact OE1-CD2 2.64Å; E104-H161 IonicContact OE1-CE1 3.48Å; E104-H161 IonicContact OE1-NE2 3.31Å; E104-H161 PolarHBondContact OE1-NE2 2.72Å; E104-V208 CarbonylContact O-C 3.6Å; E104-V208 VanDerWaalsContact O-CA 3.3Å; E104-V208 WeakPolarHBondContact O-CA 3.42Å; E104-V209 PolarHBondContact N-O 3.01Å; E104-V209 PolarHBondContact O-N 2.82Å |
| 105 | H | 98 | Very high | 89.2 | Confident | 67 Ų | 67 | 47.2 Ų | 47.2 | 31% | 0.31 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 114.7 | 167.4 | 172.1 | -128.5 | 0 | 0 | 0 | 110.2 | N107 K110 N206 M207 | H105-N107 PolarHBondContact CE1-ND2 3.08Å; H105-K110 WeakPolarHBondContact O-CD 3.2Å; H105-K110 PolarHBondContact O-NZ 3.05Å; H105-N206 PolarHBondContact CE1-OD1 3.48Å; H105-N206 PolarHBondContact NE2-OD1 2.83Å; H105-M207 CarbonylContact C-O 3.56Å; H105-M207 PolarHBondContact CD2-O 2.78Å |
| 106 | L | 97.6 | Very high | 87 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 142.4 | 178.5 | -49.9 | -176.2 | 0 | 0 | 0 | 109.9 | E104 L111 N160 I197 A201 M207 V209 | E104-L106 HydrophobicContact CB-CD2 4.28Å; L106-L111 HydrophobicContact CB-CD1 4.28Å; L106-N160 HydrophobicContact CD2-CB 3.73Å; L106-I197 HydrophobicContact CD1-CG2 4.2Å; L106-A201 HydrophobicContact CB-CB 3.97Å; L106-A201 HydrophobicContact CD1-CB 4.29Å; L106-M207 HydrophobicContact CB-CB 4.34Å; L106-M207 HydrophobicContact CD1-SD 4.38Å; L106-M207 PolarHBondContact N-O 3.4Å; L106-M207 PolarHBondContact O-N 2.9Å; L106-M207 VanDerWaalsContact O-O 3.09Å; L106-V209 HydrophobicContact CD1-CG2 3.91Å; L106-V209 HydrophobicContact CG-CG2 4.38Å |
| 107 | N | 95 | Very high | 84.8 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 15% | 0.15 | 27% | 0.267 | C | S | . | . | trans | -153.9 | 165.9 | 172.8 | 65.2 | 50.6 | 0 | 0 | 0 | 109.6 | H105 A109 K110 L111 | H105-N107 PolarHBondContact CE1-ND2 3.08Å; N107-A109 VanDerWaalsContact C-N 3.29Å; N107-A109 PolarHBondContact O-N 3.16Å; N107-A109 WeakPolarHBondContact OD1-CA 3.47Å; N107-A109 WeakPolarHBondContact OD1-CB 3.17Å; N107-A109 PolarHBondContact OD1-N 3.13Å; N107-K110 PolarHBondContact O-N 3.22Å; N107-K110 VanDerWaalsContact O-N 3.16Å; N107-K110 PolarHBondContact OD1-N 2.96Å; N107-L111 WeakPolarHBondContact O-CG 3.48Å; N107-L111 PolarHBondContact O-N 2.69Å | ||
| 108 | P | 92.6 | Very high | 82.8 | Confident | 34 Ų | 34 | 57 Ų | 57 | 22% | 0.221 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -53.5 | -43 | 179.9 | -30.1 | 37.7 | 0 | 0 | 0 | 113.3 | K110 L111 H112 S204 | P108-K110 VanDerWaalsContact C-N 3.29Å; P108-K110 PolarHBondContact O-N 2.8Å; P108-L111 PolarHBondContact O-N 3.3Å; P108-H112 VanDerWaalsContact C-CD2 3.46Å; P108-H112 VanDerWaalsContact CB-CD2 3.44Å; P108-H112 WeakPolarHBondContact CB-CD2 3.41Å; P108-H112 WeakPolarHBondContact O-CB 3.43Å; P108-H112 PolarHBondContact O-CD2 2.95Å; P108-H112 PolarHBondContact O-N 3.43Å; P108-S204 WeakPolarHBondContact CD-O 3.36Å; P108-S204 WeakPolarHBondContact CG-O 3.39Å |
| 109 | A | 89.4 | Confident | 81.4 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 68% | 0.678 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.7 | -35 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N107 | N107-A109 VanDerWaalsContact C-N 3.29Å; N107-A109 PolarHBondContact O-N 3.16Å; N107-A109 WeakPolarHBondContact OD1-CA 3.47Å; N107-A109 WeakPolarHBondContact OD1-CB 3.17Å; N107-A109 PolarHBondContact OD1-N 3.13Å |
| 110 | K | 87.4 | Confident | 80.4 | Confident | 72 Ų | 72 | 61.7 Ų | 61.7 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -76.1 | -19.7 | 174.1 | -68.7 | -177.7 | -178.6 | -179 | 0 | 113.7 | H105 N107 P108 T163 | H105-K110 WeakPolarHBondContact O-CD 3.2Å; H105-K110 PolarHBondContact O-NZ 3.05Å; N107-K110 PolarHBondContact O-N 3.22Å; N107-K110 VanDerWaalsContact O-N 3.16Å; N107-K110 PolarHBondContact OD1-N 2.96Å; P108-K110 VanDerWaalsContact C-N 3.29Å; P108-K110 PolarHBondContact O-N 2.8Å; K110-T163 WeakPolarHBondContact O-CG2 3.15Å |
| 111 | L | 89.8 | Confident | 79.9 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -112.4 | -13.6 | -171 | -65.3 | 178.5 | 0 | 0 | 0 | 115 | L106 N107 P108 R198 A201 R202 | L106-L111 HydrophobicContact CB-CD1 4.28Å; N107-L111 WeakPolarHBondContact O-CG 3.48Å; N107-L111 PolarHBondContact O-N 2.69Å; P108-L111 PolarHBondContact O-N 3.3Å; L111-R198 HydrophobicContact CD1-CB 4.44Å; L111-R198 HydrophobicContact CD1-CG 4.46Å; L111-R198 HydrophobicContact CD2-CG 4.13Å; L111-A201 HydrophobicContact CD1-CB 3.44Å; L111-A201 VanDerWaalsContact CD1-CB 3.44Å; L111-R202 HydrophobicContact CB-CG 3.7Å; L111-R202 HydrophobicContact CD1-CG 4.06Å; L111-R202 PolarHBondContact O-NE 2.69Å; L111-R202 VanDerWaalsContact O-NE 3.15Å |
| 112 | H | 72.1 | Confident | 79.5 | Confident | 70 Ų | 70 | 62.1 Ų | 62.1 | 32% | 0.324 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -86.7 | -6.4 | -176.8 | -81 | -60.3 | 0 | 0 | 0 | 115.4 | P108 D114 D115 | P108-H112 VanDerWaalsContact C-CD2 3.46Å; P108-H112 VanDerWaalsContact CB-CD2 3.44Å; P108-H112 WeakPolarHBondContact CB-CD2 3.41Å; P108-H112 WeakPolarHBondContact O-CB 3.43Å; P108-H112 PolarHBondContact O-CD2 2.95Å; P108-H112 PolarHBondContact O-N 3.43Å; H112-D114 PolarHBondContact O-N 2.86Å; H112-D115 IonicContact ND1-OD2 3.74Å; H112-D115 PolarHBondContact ND1-OD2 2.9Å; H112-D115 PolarHBondContact O-N 3.14Å; H112-D115 VanDerWaalsContact O-N 3.07Å |
| 113 | Q | 59.9 | Low | 79.1 | Confident | 75 Ų | 75 | 67.3 Ų | 67.3 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -69 | -9.1 | 171.8 | -75.7 | -179.2 | 2.6 | 0 | 0 | 113.1 | D115 T163 | Q113-D115 PolarHBondContact O-N 3.16Å; Q113-T163 HydrophobicContact CB-CG2 3.97Å; Q113-T163 HydrophobicContact CG-CG2 4.11Å; Q113-T163 VanDerWaalsContact OE1-CB 3.23Å |
| 114 | D | 55.6 | Low | 78.8 | Confident | 52 Ų | 52 | 72 Ų | 72 | 28% | 0.278 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -65.7 | -25.1 | 168.1 | -69.8 | -27.3 | 0 | 0 | 0 | 112.7 | H112 R162 R202 | H112-D114 PolarHBondContact O-N 2.86Å; D114-R162 VanDerWaalsContact OD1-CD 3.24Å; D114-R162 WeakPolarHBondContact OD1-CD 3.2Å; D114-R162 IonicContact OD1-CZ 3.86Å; D114-R162 VanDerWaalsContact OD1-CZ 3.31Å; D114-R162 IonicContact OD1-NE 3.19Å; D114-R162 PolarHBondContact OD1-NE 3.24Å; D114-R162 IonicContact OD1-NH1 3.56Å; D114-R162 PolarHBondContact OD1-NH1 3.46Å; D114-R202 IonicContact OD2-CZ 2.69Å; D114-R202 IonicContact OD2-NH2 2.78Å; D114-R202 PolarHBondContact OD2-NH2 2.78Å |
| 115 | D | 54.3 | Low | 78.4 | Confident | 113 Ų | 113 | 76.4 Ų | 76.4 | 60% | 0.604 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -22.3 | -172.6 | -61.3 | -39.9 | 0 | 0 | 0 | 113.3 | H112 Q113 | H112-D115 IonicContact ND1-OD2 3.74Å; H112-D115 PolarHBondContact ND1-OD2 2.9Å; H112-D115 PolarHBondContact O-N 3.14Å; H112-D115 VanDerWaalsContact O-N 3.07Å; Q113-D115 PolarHBondContact O-N 3.16Å |
| 116 | I | 50.2 | Low | 78.4 | Confident | 112 Ų | 112 | 74.8 Ų | 74.8 | 57% | 0.574 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -93.3 | 135 | -178.9 | -53.5 | 174 | 0 | 0 | 0 | 107 | K118 | I116-K118 PolarHBondContact O-N 2.93Š|
| 117 | N | 51.2 | Low | 78.4 | Confident | 174 Ų | 174 | 81.5 Ų | 81.5 | 93% | 0.93 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -51.4 | 18.2 | -176.6 | -67.7 | -38.3 | 0 | 0 | 0 | 118.3 | ||
| 118 | K | 56 | Low | 78.6 | Confident | 155 Ų | 155 | 81.6 Ų | 81.6 | 67% | 0.674 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -86.5 | 114.3 | 160.5 | -66.7 | -175.3 | 178.8 | -177.9 | 0 | 107.7 | I116 G120 | I116-K118 PolarHBondContact O-N 2.93Å; K118-G120 PolarHBondContact O-N 2.84Å |
| 119 | A | 68.4 | Low | 78.9 | Confident | 89 Ų | 89 | 84.5 Ų | 84.5 | 74% | 0.736 | 43% | 0.434 | S | S | * | . | trans | -55.3 | 103.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 120 | G | 78.6 | Confident | 79.3 | Confident | 9 Ų | 9 | 84.1 Ų | 84.1 | 9% | 0.093 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 157.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | K118 E122 | K118-G120 PolarHBondContact O-N 2.84Å; G120-E122 PolarHBondContact O-N 2.83Å |
| 121 | V | 88.2 | Confident | 79.8 | Confident | 27 Ų | 27 | 81.1 Ų | 81.1 | 16% | 0.164 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -50 | 132.7 | -175.4 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | F126 R162 H165 M168 | V121-F126 HydrophobicContact CG1-CE2 3.57Å; V121-F126 HydrophobicContact CG1-CZ 3.94Å; V121-R162 WeakPolarHBondContact CG2-O 3.33Å; V121-R162 PolarHBondContact N-O 3.38Å; V121-H165 HydrophobicContact CG2-CB 4.08Å; V121-M168 HydrophobicContact CB-CB 4.43Å; V121-M168 HydrophobicContact CB-CE 4.37Å; V121-M168 HydrophobicContact CB-CG 4.48Å; V121-M168 HydrophobicContact CG1-CB 3.95Å; V121-M168 HydrophobicContact CG1-CG 3.78Å; V121-M168 WeakPolarHBondContact O-CE 3.11Å |
| 122 | E | 89.4 | Confident | 80.1 | Confident | 79 Ų | 79 | 87.3 Ų | 87.3 | 37% | 0.369 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -92.4 | 137.2 | -176.9 | -65.3 | -169.6 | -161.4 | 0 | 0 | 111.4 | G120 K124 D125 | G120-E122 PolarHBondContact O-N 2.83Å; E122-K124 HydrophobicContact CB-CG 4.12Å; E122-K124 PolarHBondContact O-N 2.94Å; E122-K124 IonicContact OE1-NZ 3.61Å; E122-K124 WeakPolarHBondContact OE2-CD 3.23Å; E122-K124 WeakPolarHBondContact OE2-CE 3.46Å; E122-K124 IonicContact OE2-NZ 2.78Å; E122-K124 PolarHBondContact OE2-NZ 3.36Å; E122-D125 PolarHBondContact O-N 2.84Å |
| 123 | R | 91.4 | Very high | 81.1 | Confident | 109 Ų | 109 | 86.3 Ų | 86.3 | 41% | 0.411 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -62.2 | -23.4 | 179 | -70.1 | -177.9 | 65.2 | 142 | 9.3 | 113.5 | D125 F126 H154 A158 M168 F172 | R123-D125 PolarHBondContact O-N 3.07Å; R123-F126 PolarHBondContact O-N 2.6Å; R123-H154 PolarHBondContact NH2-CE1 3.43Å; R123-H154 PolarHBondContact NH2-ND1 3.49Å; R123-H154 PolarHBondContact NH2-NE2 2.81Å; R123-A158 HydrophobicContact CG-CB 4.07Å; R123-M168 HydrophobicContact CG-CE 4.35Å; R123-M168 HydrophobicContact CG-SD 4Å; R123-F172 HydrophobicContact CB-CZ 4.06Å; R123-F172 HydrophobicContact CG-CZ 4.47Å; R123-F172 VanDerWaalsContact O-CZ 3.26Å; R123-F172 WeakPolarHBondContact O-CZ 3.4Å |
| 124 | K | 91.9 | Very high | 82.7 | Confident | 160 Ų | 160 | 83 Ų | 83 | 70% | 0.696 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -71.6 | -13.7 | -176.5 | 75.7 | -173 | -170.8 | -155.5 | 0 | 112.9 | E122 F126 | E122-K124 HydrophobicContact CB-CG 4.12Å; E122-K124 PolarHBondContact O-N 2.94Å; E122-K124 IonicContact OE1-NZ 3.61Å; E122-K124 WeakPolarHBondContact OE2-CD 3.23Å; E122-K124 WeakPolarHBondContact OE2-CE 3.46Å; E122-K124 IonicContact OE2-NZ 2.78Å; E122-K124 PolarHBondContact OE2-NZ 3.36Å; K124-F126 PolarHBondContact O-N 3.08Å |
| 125 | D | 90.8 | Very high | 84.4 | Confident | 92 Ų | 92 | 84.8 Ų | 84.8 | 49% | 0.492 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -81.4 | -1.9 | -178.3 | -57.2 | -22.9 | 0 | 0 | 0 | 112.3 | E122 R123 | E122-D125 PolarHBondContact O-N 2.84Å; R123-D125 PolarHBondContact O-N 3.07Å |
| 126 | F | 97.4 | Very high | 86.4 | Confident | 33 Ų | 33 | 86.5 Ų | 86.5 | 15% | 0.145 | 44% | 0.444 | C | S | . | . | trans | -128.5 | 137.2 | -174.6 | -55.5 | -80.5 | 0 | 0 | 0 | 112.7 | V121 R123 K124 H165 M168 F172 | V121-F126 HydrophobicContact CG1-CE2 3.57Å; V121-F126 HydrophobicContact CG1-CZ 3.94Å; R123-F126 PolarHBondContact O-N 2.6Å; K124-F126 PolarHBondContact O-N 3.08Å; F126-H165 AromaticContact CE1-CD2 3.97Å; F126-H165 AromaticContact CE1-CE1 3.81Å; F126-H165 AromaticContact CE1-NE2 3.57Å; F126-H165 AromaticContact CZ-CD2 3.83Å; F126-H165 AromaticContact CZ-CE1 3.34Å; F126-H165 WeakPolarHBondContact CZ-CE1 3.49Å; F126-H165 AromaticContact CZ-CG 3.82Å; F126-H165 AromaticContact CZ-ND1 3.53Å; F126-H165 AromaticContact CZ-NE2 3.55Å; F126-H165 VanDerWaalsContact CZ-O 3.31Å; F126-H165 WeakPolarHBondContact CZ-O 3.39Å; F126-M168 HydrophobicContact CD2-CG 3.68Å; F126-M168 HydrophobicContact CE2-CB 3.96Å; F126-M168 HydrophobicContact CE2-CG 3.24Å; F126-M168 HydrophobicContact CZ-CB 4.18Å; F126-M168 HydrophobicContact CZ-CG 3.96Å; F126-F172 HydrophobicContact CB-CB 4.36Å; F126-F172 HydrophobicContact CB-CD1 3.89Å; F126-F172 HydrophobicContact CB-CD2 3.63Å; F126-F172 HydrophobicContact CB-CE1 3.99Å; F126-F172 HydrophobicContact CB-CE2 3.76Å; F126-F172 HydrophobicContact CB-CG 3.7Å; F126-F172 HydrophobicContact CB-CZ 3.93Å; F126-F172 HydrophobicContact CD2-CD2 4.42Å; F126-F172 HydrophobicContact CD2-CE2 4.06Å; F126-F172 HydrophobicContact CG-CD2 4.14Å; F126-F172 HydrophobicContact CG-CE2 4.19Å; F126-F172 WeakPolarHBondContact O-CE1 3.35Å | ||
| 127 | D | 98.2 | Very high | 88.5 | Confident | 142 Ų | 142 | 86.9 Ų | 86.9 | 76% | 0.759 | 45% | 0.445 | S | S | * | . | trans | -101.1 | 150.8 | 166.8 | -73.6 | -53.2 | 0 | 0 | 0 | 110.5 | ||||
| 128 | F | 98.7 | Very high | 90.6 | Very high | 31 Ų | 31 | 80.9 Ų | 80.9 | 14% | 0.136 | 41% | 0.411 | C | S | . | . | trans | -67.2 | 138.3 | 171.8 | -64 | -91.2 | 0 | 0 | 0 | 110.9 | N142 R152 H154 F172 L174 I177 | F128-N142 WeakPolarHBondContact CB-OD1 3.43Å; F128-N142 PolarHBondContact O-ND2 3.37Å; F128-R152 HydrophobicContact CD1-CB 3.98Å; F128-R152 HydrophobicContact CD2-CB 4.3Å; F128-R152 HydrophobicContact CE1-CB 3.52Å; F128-R152 HydrophobicContact CE2-CB 3.87Å; F128-R152 HydrophobicContact CG-CB 4.31Å; F128-R152 HydrophobicContact CZ-CB 3.43Å; F128-R152 VanDerWaalsContact CZ-CB 3.43Å; F128-R152 WeakPolarHBondContact CZ-O 3.33Å; F128-H154 AromaticContact CE1-CE1 3.29Å; F128-H154 WeakPolarHBondContact CE1-CE1 3.45Å; F128-H154 AromaticContact CE1-ND1 3.87Å; F128-H154 AromaticContact CZ-CE1 3.39Å; F128-H154 WeakPolarHBondContact CZ-CE1 3.4Å; F128-F172 VanDerWaalsContact CA-O 3.28Å; F128-F172 WeakPolarHBondContact CA-O 3.49Å; F128-F172 HydrophobicContact CD1-CB 4.41Å; F128-F172 HydrophobicContact CD1-CD1 4.14Å; F128-F172 WeakPolarHBondContact CD1-O 3.17Å; F128-F172 HydrophobicContact CD2-CD1 4.2Å; F128-F172 HydrophobicContact CE1-CD1 4.18Å; F128-F172 HydrophobicContact CE2-CD1 4.25Å; F128-F172 HydrophobicContact CE2-CE1 4.43Å; F128-F172 HydrophobicContact CG-CD1 4.18Å; F128-F172 HydrophobicContact CZ-CD1 4.27Å; F128-F172 HydrophobicContact CZ-CE1 4.48Å; F128-L174 HydrophobicContact CB-CD2 4Å; F128-L174 HydrophobicContact CD1-CD2 4.31Å; F128-I177 HydrophobicContact CD1-CD1 4Å; F128-I177 HydrophobicContact CD1-CG1 3.89Å; F128-I177 HydrophobicContact CE1-CD1 3.59Å; F128-I177 HydrophobicContact CE1-CG1 3.94Å | ||
| 129 | Y | 98.6 | Very high | 92.6 | Very high | 94 Ų | 94 | 75.5 Ų | 75.5 | 37% | 0.369 | 39% | 0.386 | S | S | . | . | B | Isolated β-bridge | trans | -139.5 | 154.2 | -176 | 64.9 | -85.5 | 0 | 0 | 0 | 112.7 | G169 F172 I173 L174 | Y129-G169 WeakPolarHBondContact CE1-O 3.47Å; Y129-F172 HydrophobicContact CD1-CB 4.4Å; Y129-F172 HydrophobicContact CE1-CB 4.27Å; Y129-F172 PolarHBondContact N-O 3.22Å; Y129-I173 HydrophobicContact CD2-CB 4.46Å; Y129-I173 HydrophobicContact CD2-CG1 4.06Å; Y129-I173 HydrophobicContact CE1-CB 4.16Å; Y129-I173 HydrophobicContact CE2-CB 3.79Å; Y129-I173 HydrophobicContact CE2-CD1 3.79Å; Y129-I173 HydrophobicContact CE2-CG1 3.55Å; Y129-L174 WeakPolarHBondContact O-CG 3.44Å; Y129-L174 PolarHBondContact O-N 3.13Å |
| 130 | E | 98.2 | Very high | 94 | Very high | 75 Ų | 75 | 71.4 Ų | 71.4 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | trans | -71.1 | 149.7 | -179.1 | -67.7 | -178 | -140.2 | 0 | 0 | 112.5 | L132 T141 L174 | E130-L132 PolarHBondContact O-N 3.44Å; E130-T141 HydrophobicContact CG-CG2 4.33Å; E130-L174 HydrophobicContact CG-CD1 4.1Å | ||
| 131 | D | 97.5 | Very high | 94.9 | Very high | 8 Ų | 8 | 72 Ų | 72 | 4% | 0.043 | 35% | 0.354 | C | S | . | . | trans | -86.1 | 91.1 | 175.8 | -165.6 | -15 | 0 | 0 | 0 | 111.5 | R83 G133 E134 R139 I173 S175 | R83-D131 IonicContact CZ-OD1 2.72Å; R83-D131 VanDerWaalsContact CZ-OD1 3.25Å; R83-D131 IonicContact CZ-OD2 3.06Å; R83-D131 VanDerWaalsContact CZ-OD2 3.29Å; R83-D131 IonicContact NH1-OD1 3.37Å; R83-D131 PolarHBondContact NH1-OD1 3.45Å; R83-D131 IonicContact NH1-OD2 3.25Å; R83-D131 PolarHBondContact NH1-OD2 2.83Å; R83-D131 IonicContact NH2-OD1 3.29Å; R83-D131 PolarHBondContact NH2-OD1 3.36Å; R83-D131 IonicContact NH2-OD2 3.45Å; R83-D131 PolarHBondContact NH2-OD2 3.28Å; D131-G133 PolarHBondContact O-N 2.89Å; D131-G133 VanDerWaalsContact O-N 3.16Å; D131-G133 PolarHBondContact OD1-N 2.83Å; D131-G133 VanDerWaalsContact OD1-N 3.08Å; D131-E134 PolarHBondContact O-N 3.17Å; D131-R139 WeakPolarHBondContact O-CD 3.48Å; D131-R139 PolarHBondContact O-NE 3.17Å; D131-R139 VanDerWaalsContact O-NE 3.13Å; D131-I173 HydrophobicContact CB-CD1 3.76Å; D131-I173 HydrophobicContact CB-CG1 3.88Å; D131-I173 VanDerWaalsContact CG-CD1 3.44Å; D131-S175 WeakPolarHBondContact OD2-CB 3.27Å; D131-S175 PolarHBondContact OD2-OG 2.96Å | ||
| 132 | L | 95.9 | Very high | 95.4 | Very high | 134 Ų | 134 | 73.2 Ų | 73.2 | 70% | 0.702 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -12.9 | 179.3 | -58.1 | -175.9 | 0 | 0 | 0 | 113.6 | E130 E134 R139 | E130-L132 PolarHBondContact O-N 3.44Å; L132-E134 VanDerWaalsContact C-N 3.26Å; L132-R139 PolarHBondContact O-NH2 3.21Å |
| 133 | G | 92.6 | Very high | 95.8 | Very high | 49 Ų | 49 | 77.8 Ų | 77.8 | 51% | 0.505 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -8.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | H81 D131 | H81-G133 PolarHBondContact CE1-O 2.72Å; D131-G133 PolarHBondContact O-N 2.89Å; D131-G133 VanDerWaalsContact O-N 3.16Å; D131-G133 PolarHBondContact OD1-N 2.83Å; D131-G133 VanDerWaalsContact OD1-N 3.08Å |
| 134 | E | 93.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 72.8 Ų | 72.8 | 3% | 0.028 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -100.6 | 157.9 | 174.1 | -174.6 | 54.4 | -86.2 | 0 | 0 | 111.3 | H81 Y92 R94 D131 L132 F138 R139 | H81-E134 WeakPolarHBondContact CB-OE2 3.3Å; H81-E134 IonicContact CE1-OE2 3.98Å; H81-E134 IonicContact CG-OE2 3.51Å; H81-E134 IonicContact ND1-OE1 3.78Å; H81-E134 IonicContact ND1-OE2 2.8Å; H81-E134 PolarHBondContact ND1-OE2 3.45Å; Y92-E134 HydrophobicContact CE1-CG 4.35Å; R94-E134 IonicContact CZ-OE1 3.33Å; R94-E134 IonicContact CZ-OE2 3.69Å; R94-E134 VanDerWaalsContact NE-CD 3.31Å; R94-E134 IonicContact NE-OE1 2.78Å; R94-E134 PolarHBondContact NE-OE1 3.07Å; R94-E134 IonicContact NE-OE2 2.68Å; R94-E134 PolarHBondContact NE-OE2 3.38Å; R94-E134 IonicContact NH2-OE1 2.82Å; R94-E134 PolarHBondContact NH2-OE1 2.89Å; R94-E134 IonicContact NH2-OE2 3.51Å; D131-E134 PolarHBondContact O-N 3.17Å; L132-E134 VanDerWaalsContact C-N 3.26Å; E134-F138 HydrophobicContact CG-CB 3.87Å; E134-R139 HydrophobicContact CB-CG 4.15Å; E134-R139 HydrophobicContact CG-CG 4.38Å; E134-R139 PolarHBondContact O-NE 2.72Å; E134-R139 PolarHBondContact O-NH2 3.12Å |
| 135 | I | 92.6 | Very high | 96.5 | Very high | 89 Ų | 89 | 65.6 Ų | 65.6 | 46% | 0.456 | 33% | 0.328 | S | S | . | . | trans | -67.6 | 134.4 | 173.4 | -55.7 | 166 | 0 | 0 | 0 | 109.1 | M137 F138 R139 | I135-M137 VanDerWaalsContact C-N 3.3Å; I135-M137 HydrophobicContact CG2-CG 3.95Å; I135-M137 PolarHBondContact O-N 3.46Å; I135-M137 VanDerWaalsContact O-N 3.13Å; I135-F138 HydrophobicContact CB-CD2 3.84Å; I135-F138 HydrophobicContact CB-CE2 4.31Å; I135-F138 HydrophobicContact CD1-CD2 4.11Å; I135-F138 HydrophobicContact CD1-CE2 3.9Å; I135-F138 HydrophobicContact CG1-CD2 4.44Å; I135-F138 HydrophobicContact CG2-CD2 4.48Å; I135-F138 PolarHBondContact O-N 3.32Å; I135-R139 PolarHBondContact O-N 3.23Å | ||
| 136 | E | 95.7 | Very high | 96.9 | Very high | 150 Ų | 150 | 67 Ų | 67 | 70% | 0.701 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -47.1 | -46.5 | -173.8 | -173.9 | 177.2 | 178.2 | 0 | 0 | 114.1 | F138 R139 | E136-F138 PolarHBondContact O-N 2.8Å; E136-R139 WeakPolarHBondContact O-CB 3.35Å; E136-R139 PolarHBondContact O-N 3.03Å |
| 137 | M | 94.5 | Very high | 96.9 | Very high | 120 Ų | 120 | 72.8 Ų | 72.8 | 59% | 0.591 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -62.9 | -16.4 | -179.5 | 68.2 | -176.2 | -77 | 0 | 0 | 114.8 | R97 I135 | R97-M137 PolarHBondContact NE-O 3.24Å; R97-M137 PolarHBondContact NH2-O 3.46Å; I135-M137 VanDerWaalsContact C-N 3.3Å; I135-M137 HydrophobicContact CG2-CG 3.95Å; I135-M137 PolarHBondContact O-N 3.46Å; I135-M137 VanDerWaalsContact O-N 3.13Å |
| 138 | F | 95.3 | Very high | 96.9 | Very high | 47 Ų | 47 | 67.3 Ų | 67.3 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -103.9 | -0.2 | 178 | -56.6 | -45 | 0 | 0 | 0 | 113.1 | Y92 R94 R97 E134 I135 E136 | Y92-F138 WeakPolarHBondContact CE1-O 3.34Å; Y92-F138 PolarHBondContact OH-O 3.46Å; R94-F138 HydrophobicContact CB-CB 3.98Å; R94-F138 HydrophobicContact CB-CD1 3.86Å; R94-F138 HydrophobicContact CB-CD2 4.2Å; R94-F138 HydrophobicContact CB-CE1 4.4Å; R94-F138 HydrophobicContact CB-CG 3.76Å; R94-F138 HydrophobicContact CG-CB 3.92Å; R94-F138 HydrophobicContact CG-CD1 4.47Å; R94-F138 HydrophobicContact CG-CD2 3.95Å; R94-F138 HydrophobicContact CG-CG 3.87Å; R97-F138 WeakPolarHBondContact CG-O 3.21Å; E134-F138 HydrophobicContact CG-CB 3.87Å; I135-F138 HydrophobicContact CB-CD2 3.84Å; I135-F138 HydrophobicContact CB-CE2 4.31Å; I135-F138 HydrophobicContact CD1-CD2 4.11Å; I135-F138 HydrophobicContact CD1-CE2 3.9Å; I135-F138 HydrophobicContact CG1-CD2 4.44Å; I135-F138 HydrophobicContact CG2-CD2 4.48Å; I135-F138 PolarHBondContact O-N 3.32Å; E136-F138 PolarHBondContact O-N 2.8Å |
| 139 | R | 96.9 | Very high | 96.9 | Very high | 43 Ų | 43 | 69.2 Ų | 69.2 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | trans | -81 | 144.9 | 179.9 | -62 | 177.9 | -166.4 | 157 | 1 | 111.3 | D131 L132 E134 I135 E136 | D131-R139 WeakPolarHBondContact O-CD 3.48Å; D131-R139 PolarHBondContact O-NE 3.17Å; D131-R139 VanDerWaalsContact O-NE 3.13Å; L132-R139 PolarHBondContact O-NH2 3.21Å; E134-R139 HydrophobicContact CB-CG 4.15Å; E134-R139 HydrophobicContact CG-CG 4.38Å; E134-R139 PolarHBondContact O-NE 2.72Å; E134-R139 PolarHBondContact O-NH2 3.12Å; I135-R139 PolarHBondContact O-N 3.23Å; E136-R139 WeakPolarHBondContact O-CB 3.35Å; E136-R139 PolarHBondContact O-N 3.03Å | ||
| 140 | S | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.014 | 36% | 0.36 | C | S | . | . | trans | -87.1 | 144 | 156.3 | 51 | 0 | 0 | 0 | 0 | 110.3 | L174 | S140-L174 VanDerWaalsContact O-CD1 3.23Å; S140-L174 WeakPolarHBondContact O-CD1 3.41Å; S140-L174 WeakPolarHBondContact OG-CB 3.45Å; S140-L174 PolarHBondContact OG-O 2.99Å | ||
| 141 | T | 98.5 | Very high | 96.9 | Very high | 21 Ų | 21 | 64.7 Ų | 64.7 | 13% | 0.129 | 35% | 0.35 | C | S | . | . | trans | -120.5 | 161.6 | 179.2 | 73.8 | 0 | 0 | 0 | 0 | 111.5 | E130 K143 D144 Y145 L174 | E130-T141 HydrophobicContact CG-CG2 4.33Å; T141-K143 PolarHBondContact O-N 3.49Å; T141-K143 PolarHBondContact OG1-N 3.47Å; T141-D144 WeakPolarHBondContact CA-OD2 3.46Å; T141-D144 WeakPolarHBondContact CB-OD2 3.37Å; T141-D144 PolarHBondContact N-OD2 2.9Å; T141-D144 WeakPolarHBondContact O-CB 3.36Å; T141-D144 PolarHBondContact O-N 3.01Å; T141-D144 VanDerWaalsContact O-N 3.12Å; T141-D144 PolarHBondContact OG1-N 3.31Å; T141-D144 PolarHBondContact OG1-OD2 2.93Å; T141-Y145 WeakPolarHBondContact O-CD2 3.48Å; T141-L174 VanDerWaalsContact C-CD1 3.47Å | ||
| 142 | N | 98.6 | Very high | 97 | Very high | 54 Ų | 54 | 68.5 Ų | 68.5 | 29% | 0.289 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.1 | -27.5 | 173.9 | -78.4 | -45.7 | 0 | 0 | 0 | 112.9 | F128 D144 Y145 L146 R152 | F128-N142 WeakPolarHBondContact CB-OD1 3.43Å; F128-N142 PolarHBondContact O-ND2 3.37Å; N142-D144 PolarHBondContact O-N 3.48Å; N142-Y145 PolarHBondContact O-N 2.62Å; N142-L146 PolarHBondContact O-N 3.13Å; N142-L146 VanDerWaalsContact O-N 3.14Å; N142-R152 PolarHBondContact OD1-NH1 3.21Å |
| 143 | K | 98.5 | Very high | 97.1 | Very high | 174 Ų | 174 | 62.1 Ų | 62.1 | 76% | 0.757 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66.1 | -28.7 | 177 | -67.8 | 177.9 | -178.3 | 171.3 | 0 | 112 | T141 Y145 L146 | T141-K143 PolarHBondContact O-N 3.49Å; T141-K143 PolarHBondContact OG1-N 3.47Å; K143-Y145 VanDerWaalsContact C-N 3.31Å; K143-L146 PolarHBondContact O-N 3.47Å |
| 144 | D | 98.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.4 | -31.7 | 178.2 | -61.6 | -57.2 | 0 | 0 | 0 | 112.6 | T141 N142 G232 N233 N234 I236 | T141-D144 WeakPolarHBondContact CA-OD2 3.46Å; T141-D144 WeakPolarHBondContact CB-OD2 3.37Å; T141-D144 PolarHBondContact N-OD2 2.9Å; T141-D144 WeakPolarHBondContact O-CB 3.36Å; T141-D144 PolarHBondContact O-N 3.01Å; T141-D144 VanDerWaalsContact O-N 3.12Å; T141-D144 PolarHBondContact OG1-N 3.31Å; T141-D144 PolarHBondContact OG1-OD2 2.93Å; N142-D144 PolarHBondContact O-N 3.48Å; D144-G232 PolarHBondContact O-N 3.08Å; D144-G232 WeakPolarHBondContact OD1-CA 3.21Å; D144-N233 PolarHBondContact OD1-N 3.14Å; D144-N234 PolarHBondContact OD1-N 3.24Å; D144-N234 PolarHBondContact OD1-ND2 2.83Å; D144-N234 PolarHBondContact OD2-ND2 3.45Å; D144-I236 HydrophobicContact CB-CD1 3.35Å; D144-I236 HydrophobicContact CB-CG1 4.08Å |
| 145 | Y | 98.7 | Very high | 97.7 | Very high | 10 Ų | 10 | 59.8 Ų | 59.8 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -85.2 | -25.6 | 177.8 | -72.6 | -91.8 | 0 | 0 | 0 | 113 | T141 N142 K143 N147 S148 R152 L174 I177 P179 I231 I236 | T141-Y145 WeakPolarHBondContact O-CD2 3.48Å; N142-Y145 PolarHBondContact O-N 2.62Å; K143-Y145 VanDerWaalsContact C-N 3.31Å; Y145-N147 PolarHBondContact O-N 2.84Å; Y145-S148 WeakPolarHBondContact O-CB 3.46Å; Y145-S148 PolarHBondContact O-N 3.24Å; Y145-S148 VanDerWaalsContact O-N 3.12Å; Y145-S148 PolarHBondContact O-OG 2.89Å; Y145-R152 HydrophobicContact CD1-CB 4.43Å; Y145-R152 HydrophobicContact CD1-CG 3.48Å; Y145-R152 VanDerWaalsContact CD1-CG 3.48Å; Y145-R152 HydrophobicContact CD2-CG 3.91Å; Y145-R152 HydrophobicContact CE1-CG 3.95Å; Y145-R152 HydrophobicContact CE2-CG 4.35Å; Y145-R152 HydrophobicContact CG-CG 3.46Å; Y145-R152 VanDerWaalsContact CG-CG 3.46Å; Y145-L174 HydrophobicContact CD2-CD2 4.49Å; Y145-L174 HydrophobicContact CE2-CD2 4.23Å; Y145-I177 HydrophobicContact CE1-CG2 4.07Å; Y145-I177 HydrophobicContact CE2-CG2 4.43Å; Y145-I177 PolarHBondContact OH-O 3.28Å; Y145-P179 HydrophobicContact CE1-CB 4.27Å; Y145-P179 HydrophobicContact CE1-CG 3.88Å; Y145-I231 HydrophobicContact CD1-CD1 3.76Å; Y145-I231 HydrophobicContact CE1-CD1 3.98Å; Y145-I231 HydrophobicContact CG-CD1 4.16Å; Y145-I236 HydrophobicContact CD2-CD1 4.11Å; Y145-I236 HydrophobicContact CE2-CD1 3.52Å |
| 146 | L | 98.2 | Very high | 98 | Very high | 120 Ų | 120 | 55.5 Ų | 55.5 | 63% | 0.628 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 126.2 | -178.3 | -176.7 | 64.7 | 0 | 0 | 0 | 110.6 | N142 K143 S148 | N142-L146 PolarHBondContact O-N 3.13Å; N142-L146 VanDerWaalsContact O-N 3.14Å; K143-L146 PolarHBondContact O-N 3.47Å; L146-S148 PolarHBondContact O-N 3.4Å; L146-S148 VanDerWaalsContact O-N 3.07Å |
| 147 | N | 98 | Very high | 98.1 | Very high | 156 Ų | 156 | 48.4 Ų | 48.4 | 83% | 0.834 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 13.2 | -178.3 | -56.3 | -35.4 | 0 | 0 | 0 | 115.5 | Y145 G149 | Y145-N147 PolarHBondContact O-N 2.84Å; N147-G149 PolarHBondContact O-N 3.12Å |
| 148 | S | 98.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 42.7 Ų | 42.7 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -71 | -18.8 | 177 | 66.5 | 0 | 0 | 0 | 0 | 113.8 | Y145 L146 Y150 | Y145-S148 WeakPolarHBondContact O-CB 3.46Å; Y145-S148 PolarHBondContact O-N 3.24Å; Y145-S148 VanDerWaalsContact O-N 3.12Å; Y145-S148 PolarHBondContact O-OG 2.89Å; L146-S148 PolarHBondContact O-N 3.4Å; L146-S148 VanDerWaalsContact O-N 3.07Å; S148-Y150 VanDerWaalsContact C-N 3.25Å; S148-Y150 WeakPolarHBondContact O-CD2 3.12Å; S148-Y150 PolarHBondContact OG-N 2.96Å; S148-Y150 VanDerWaalsContact OG-N 3.17Å |
| 149 | G | 98.1 | Very high | 98.1 | Very high | 72 Ų | 72 | 41 Ų | 41 | 74% | 0.742 | 22% | 0.22 | S | C | * | . | S | Bend | trans | 84 | -6.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N147 | N147-G149 PolarHBondContact O-N 3.12Š|
| 150 | Y | 98.8 | Very high | 98.1 | Very high | 47 Ų | 47 | 39.4 Ų | 39.4 | 18% | 0.184 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 148.3 | 177.8 | -64.3 | -86.5 | 0 | 0 | 0 | 112.1 | S148 P179 V181 E229 I231 V238 | S148-Y150 VanDerWaalsContact C-N 3.25Å; S148-Y150 WeakPolarHBondContact O-CD2 3.12Å; S148-Y150 PolarHBondContact OG-N 2.96Å; S148-Y150 VanDerWaalsContact OG-N 3.17Å; Y150-P179 HydrophobicContact CD1-CB 4.08Å; Y150-P179 HydrophobicContact CD2-CB 4.45Å; Y150-P179 HydrophobicContact CG-CB 3.85Å; Y150-V181 HydrophobicContact CD1-CG2 4.42Å; Y150-V181 HydrophobicContact CE1-CG2 4.04Å; Y150-E229 WeakPolarHBondContact CE2-OE2 3.41Å; Y150-E229 PolarHBondContact OH-OE2 2.98Å; Y150-I231 HydrophobicContact CD2-CG2 3.81Å; Y150-I231 HydrophobicContact CE2-CG2 3.98Å; Y150-V238 HydrophobicContact CD1-CG1 4.08Å; Y150-V238 HydrophobicContact CD2-CG2 4.26Å; Y150-V238 HydrophobicContact CE1-CG1 3.43Å; Y150-V238 VanDerWaalsContact CE1-CG1 3.43Å; Y150-V238 HydrophobicContact CE1-CG2 4.41Å; Y150-V238 HydrophobicContact CE2-CG1 4.32Å; Y150-V238 HydrophobicContact CE2-CG2 3.86Å |
| 151 | D | 98.8 | Very high | 97.9 | Very high | 27 Ų | 27 | 39.9 Ų | 39.9 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 153.6 | 166.4 | -77.4 | -7 | 0 | 0 | 0 | 110.5 | G153 Q180 G182 N186 R187 | D151-G153 VanDerWaalsContact C-N 3.26Å; D151-G153 PolarHBondContact O-N 3.09Å; D151-Q180 PolarHBondContact N-O 3.14Å; D151-Q180 PolarHBondContact O-N 3.25Å; D151-Q180 VanDerWaalsContact O-N 3.13Å; D151-G182 WeakPolarHBondContact OD2-CA 3.31Å; D151-N186 HydrophobicContact CB-CB 4.37Å; D151-N186 VanDerWaalsContact CB-ND2 3.31Å; D151-N186 WeakPolarHBondContact CB-ND2 3.48Å; D151-N186 PolarHBondContact OD2-ND2 3.49Å; D151-R187 IonicContact OD1-CZ 3.21Å; D151-R187 IonicContact OD1-NE 3.52Å; D151-R187 IonicContact OD1-NH2 3.98Å; D151-R187 PolarHBondContact OD1-NH2 2.88Å; D151-R187 WeakPolarHBondContact OD2-CG 3.42Å; D151-R187 IonicContact OD2-CZ 3.81Å; D151-R187 IonicContact OD2-NE 3.56Å; D151-R187 PolarHBondContact OD2-NE 3.46Å; D151-R187 IonicContact OD2-NH2 3.71Å; D151-R187 PolarHBondContact OD2-NH2 3.17Å |
| 152 | R | 98.6 | Very high | 97.6 | Very high | 88 Ų | 88 | 42.9 Ų | 42.9 | 33% | 0.332 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 81.6 | 162.3 | -73.2 | 168.7 | -69.4 | -179.9 | 3.6 | 108.9 | F128 N142 Y145 L174 I177 | F128-R152 HydrophobicContact CD1-CB 3.98Å; F128-R152 HydrophobicContact CD2-CB 4.3Å; F128-R152 HydrophobicContact CE1-CB 3.52Å; F128-R152 HydrophobicContact CE2-CB 3.87Å; F128-R152 HydrophobicContact CG-CB 4.31Å; F128-R152 HydrophobicContact CZ-CB 3.43Å; F128-R152 VanDerWaalsContact CZ-CB 3.43Å; F128-R152 WeakPolarHBondContact CZ-O 3.33Å; N142-R152 PolarHBondContact OD1-NH1 3.21Å; Y145-R152 HydrophobicContact CD1-CB 4.43Å; Y145-R152 HydrophobicContact CD1-CG 3.48Å; Y145-R152 VanDerWaalsContact CD1-CG 3.48Å; Y145-R152 HydrophobicContact CD2-CG 3.91Å; Y145-R152 HydrophobicContact CE1-CG 3.95Å; Y145-R152 HydrophobicContact CE2-CG 4.35Å; Y145-R152 HydrophobicContact CG-CG 3.46Å; Y145-R152 VanDerWaalsContact CG-CG 3.46Å; R152-L174 HydrophobicContact CG-CD2 4.5Å; R152-I177 VanDerWaalsContact CA-CG2 3.46Å; R152-I177 HydrophobicContact CB-CG2 3.6Å; R152-I177 HydrophobicContact CG-CG2 4.06Å |
| 153 | G | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 128.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | D151 I177 A178 | D151-G153 VanDerWaalsContact C-N 3.26Å; D151-G153 PolarHBondContact O-N 3.09Å; G153-I177 WeakPolarHBondContact O-CA 3.28Å; G153-A178 WeakPolarHBondContact CA-O 3.24Å; G153-A178 PolarHBondContact N-O 3.15Å; G153-A178 PolarHBondContact O-N 3.42Å |
| 154 | H | 98.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 2% | 0.023 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 138.8 | 178.5 | -67 | 55.1 | 0 | 0 | 0 | 110.7 | R123 F128 T171 F172 I177 | R123-H154 PolarHBondContact NH2-CE1 3.43Å; R123-H154 PolarHBondContact NH2-ND1 3.49Å; R123-H154 PolarHBondContact NH2-NE2 2.81Å; F128-H154 AromaticContact CE1-CE1 3.29Å; F128-H154 WeakPolarHBondContact CE1-CE1 3.45Å; F128-H154 AromaticContact CE1-ND1 3.87Å; F128-H154 AromaticContact CZ-CE1 3.39Å; F128-H154 WeakPolarHBondContact CZ-CE1 3.4Å; H154-T171 PolarHBondContact CD2-O 3.06Å; H154-T171 VanDerWaalsContact CD2-O 3.29Å; H154-F172 AromaticContact NE2-CD2 3.93Å; H154-F172 AromaticContact NE2-CE2 3.94Å; H154-I177 HydrophobicContact CB-CD1 4.34Å |
| 155 | L | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -89 | -51.4 | 166.8 | -84.1 | 70.3 | 0 | 0 | 0 | 110.6 | P99 V102 A157 N176 A178 T211 F242 | P99-L155 HydrophobicContact CB-CD2 3.71Å; P99-L155 HydrophobicContact CG-CD1 4.41Å; P99-L155 HydrophobicContact CG-CD2 3.72Å; P99-L155 HydrophobicContact CG-CG 4.43Å; V102-L155 HydrophobicContact CG1-CB 3.99Å; V102-L155 HydrophobicContact CG2-CB 3.72Å; L155-A157 PolarHBondContact O-N 2.94Å; L155-N176 PolarHBondContact N-O 3.27Å; L155-N176 VanDerWaalsContact N-O 3.07Å; L155-A178 HydrophobicContact CD1-CB 3.74Å; L155-T211 HydrophobicContact CB-CG2 4.05Å; L155-T211 HydrophobicContact CG-CG2 4.04Å; L155-T211 WeakPolarHBondContact O-CG2 3.35Å; L155-F242 HydrophobicContact CD1-CE1 4.06Å |
| 156 | A | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -82.3 | 109.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | Y88 V102 E104 A158 N176 | Y88-A156 HydrophobicContact CD1-CB 4.02Å; Y88-A156 HydrophobicContact CD2-CB 3.64Å; Y88-A156 HydrophobicContact CE1-CB 4.31Å; Y88-A156 HydrophobicContact CE2-CB 3.94Å; Y88-A156 HydrophobicContact CG-CB 3.68Å; V102-A156 HydrophobicContact CB-CB 4.37Å; V102-A156 HydrophobicContact CG2-CB 3.92Å; E104-A156 HydrophobicContact CG-CB 4.09Å; A156-A158 PolarHBondContact O-N 2.82Å; A156-N176 VanDerWaalsContact CB-OD1 3.28Å; A156-N176 WeakPolarHBondContact CB-OD1 2.99Å; A156-N176 PolarHBondContact N-OD1 2.83Å; A156-N176 PolarHBondContact O-ND2 2.98Å; A156-N176 VanDerWaalsContact O-ND2 3.16Å |
| 157 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -73 | 120.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | E104 L155 G159 N160 H161 E194 | E104-A157 PolarHBondContact OE1-N 2.85Å; L155-A157 PolarHBondContact O-N 2.94Å; A157-G159 PolarHBondContact O-N 2.86Å; A157-N160 VanDerWaalsContact O-CB 3.27Å; A157-N160 WeakPolarHBondContact O-CB 3.48Å; A157-N160 PolarHBondContact O-N 2.83Å; A157-H161 PolarHBondContact O-CD2 3.03Å; A157-H161 VanDerWaalsContact O-CD2 3.26Å; A157-E194 VanDerWaalsContact CB-CD 3.45Å; A157-E194 HydrophobicContact CB-CG 4.23Å; A157-E194 VanDerWaalsContact CB-OE1 3.31Å; A157-E194 WeakPolarHBondContact CB-OE1 3.49Å | ||
| 158 | A | 96.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -47.4 | -37.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R123 A156 N160 H161 M168 T171 F172 | R123-A158 HydrophobicContact CG-CB 4.07Å; A156-A158 PolarHBondContact O-N 2.82Å; A158-N160 PolarHBondContact O-N 3.2Å; A158-N160 VanDerWaalsContact O-N 3.09Å; A158-H161 PolarHBondContact O-N 3.4Å; A158-M168 HydrophobicContact CB-SD 3.59Å; A158-M168 VanDerWaalsContact CB-SD 3.59Å; A158-M168 WeakPolarHBondContact O-CE 3.4Å; A158-M168 VanDerWaalsContact O-SD 3.34Å; A158-T171 WeakPolarHBondContact CA-OG1 3.49Å; A158-T171 WeakPolarHBondContact CB-OG1 3.22Å; A158-F172 HydrophobicContact CB-CE2 4.17Å |
| 159 | G | 94.4 | Very high | 96.4 | Very high | 13 Ų | 13 | 29.8 Ų | 29.8 | 13% | 0.134 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -62.9 | -13 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A157 | A157-G159 PolarHBondContact O-N 2.86Š|
| 160 | N | 96.1 | Very high | 96.4 | Very high | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.048 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -85.7 | -13.6 | 175 | -61.8 | -12.4 | 0 | 0 | 0 | 112.8 | E104 L106 A157 A158 R198 | E104-N160 PolarHBondContact OE1-ND2 3.18Å; E104-N160 PolarHBondContact OE2-ND2 2.74Å; L106-N160 HydrophobicContact CD2-CB 3.73Å; A157-N160 VanDerWaalsContact O-CB 3.27Å; A157-N160 WeakPolarHBondContact O-CB 3.48Å; A157-N160 PolarHBondContact O-N 2.83Å; A158-N160 PolarHBondContact O-N 3.2Å; A158-N160 VanDerWaalsContact O-N 3.09Å; N160-R198 WeakPolarHBondContact OD1-CD 3.28Å; N160-R198 WeakPolarHBondContact OD1-CG 3.44Å; N160-R198 PolarHBondContact OD1-NH1 2.95Å |
| 161 | H | 95.1 | Very high | 96.4 | Very high | 12 Ų | 12 | 26.7 Ų | 26.7 | 6% | 0.056 | 14% | 0.138 | C | C | . | . | trans | -117.5 | 22.9 | -168.2 | -58.7 | -73.8 | 0 | 0 | 0 | 113.3 | E104 A157 A158 T163 S164 A167 T171 | E104-H161 IonicContact OE1-CD2 2.64Å; E104-H161 IonicContact OE1-CE1 3.48Å; E104-H161 IonicContact OE1-NE2 3.31Å; E104-H161 PolarHBondContact OE1-NE2 2.72Å; A157-H161 PolarHBondContact O-CD2 3.03Å; A157-H161 VanDerWaalsContact O-CD2 3.26Å; A158-H161 PolarHBondContact O-N 3.4Å; H161-T163 PolarHBondContact O-N 3.1Å; H161-T163 VanDerWaalsContact O-N 3.08Å; H161-S164 PolarHBondContact O-N 3.3Å; H161-S164 VanDerWaalsContact O-O 3.09Å; H161-A167 HydrophobicContact CB-CB 3.88Å; H161-T171 HydrophobicContact CB-CG2 4.36Å; H161-T171 WeakPolarHBondContact CD2-CG2 3.48Å | ||
| 162 | R | 92.5 | Very high | 96.4 | Very high | 84 Ų | 84 | 25.9 Ų | 25.9 | 32% | 0.317 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -12.2 | -175.4 | -65.6 | -174.7 | 71.5 | -168.8 | 4.5 | 115 | D114 V121 M168 | D114-R162 VanDerWaalsContact OD1-CD 3.24Å; D114-R162 WeakPolarHBondContact OD1-CD 3.2Å; D114-R162 IonicContact OD1-CZ 3.86Å; D114-R162 VanDerWaalsContact OD1-CZ 3.31Å; D114-R162 IonicContact OD1-NE 3.19Å; D114-R162 PolarHBondContact OD1-NE 3.24Å; D114-R162 IonicContact OD1-NH1 3.56Å; D114-R162 PolarHBondContact OD1-NH1 3.46Å; V121-R162 WeakPolarHBondContact CG2-O 3.33Å; V121-R162 PolarHBondContact N-O 3.38Å; R162-M168 HydrophobicContact CB-CE 4.2Å; R162-M168 HydrophobicContact CG-CE 3.52Å |
| 163 | T | 90.5 | Very high | 96.4 | Very high | 55 Ų | 55 | 22 Ų | 22 | 34% | 0.337 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -12.6 | -178.7 | 65.6 | 0 | 0 | 0 | 0 | 113.6 | K110 Q113 H161 | K110-T163 WeakPolarHBondContact O-CG2 3.15Å; Q113-T163 HydrophobicContact CB-CG2 3.97Å; Q113-T163 HydrophobicContact CG-CG2 4.11Å; Q113-T163 VanDerWaalsContact OE1-CB 3.23Å; H161-T163 PolarHBondContact O-N 3.1Å; H161-T163 VanDerWaalsContact O-N 3.08Å |
| 164 | S | 91.9 | Very high | 96.4 | Very high | 33 Ų | 33 | 22 Ų | 22 | 23% | 0.231 | 12% | 0.119 | C | C | . | . | trans | -134.5 | 121.9 | -179.3 | 169.7 | 0 | 0 | 0 | 0 | 109.7 | D86 H161 S166 A167 M168 | D86-S164 PolarHBondContact OD2-OG 3.02Å; D86-S164 VanDerWaalsContact OD2-OG 3.12Å; H161-S164 PolarHBondContact O-N 3.3Å; H161-S164 VanDerWaalsContact O-O 3.09Å; S164-S166 PolarHBondContact O-N 3.42Å; S164-S166 PolarHBondContact OG-N 3.06Å; S164-A167 PolarHBondContact O-N 2.85Å; S164-A167 PolarHBondContact OG-N 3.47Å; S164-M168 VanDerWaalsContact O-CB 3.31Å; S164-M168 WeakPolarHBondContact O-CB 3.32Å; S164-M168 PolarHBondContact O-N 2.87Å | ||
| 165 | H | 94 | Very high | 96.4 | Very high | 112 Ų | 112 | 21.8 Ų | 21.8 | 52% | 0.519 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -62.7 | -37.1 | 175.9 | -169.7 | 88.8 | 0 | 0 | 0 | 111 | V121 F126 G169 | V121-H165 HydrophobicContact CG2-CB 4.08Å; F126-H165 AromaticContact CE1-CD2 3.97Å; F126-H165 AromaticContact CE1-CE1 3.81Å; F126-H165 AromaticContact CE1-NE2 3.57Å; F126-H165 AromaticContact CZ-CD2 3.83Å; F126-H165 AromaticContact CZ-CE1 3.34Å; F126-H165 WeakPolarHBondContact CZ-CE1 3.49Å; F126-H165 AromaticContact CZ-CG 3.82Å; F126-H165 AromaticContact CZ-ND1 3.53Å; F126-H165 AromaticContact CZ-NE2 3.55Å; F126-H165 VanDerWaalsContact CZ-O 3.31Å; F126-H165 WeakPolarHBondContact CZ-O 3.39Å; H165-G169 PolarHBondContact O-N 3.17Å |
| 166 | S | 96.3 | Very high | 96.4 | Very high | 58 Ų | 58 | 21.8 Ų | 21.8 | 41% | 0.406 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -63.3 | -53.6 | 174 | 162.8 | 0 | 0 | 0 | 0 | 111.8 | D86 S164 M168 G169 Q170 | D86-S166 WeakPolarHBondContact OD2-CB 3.37Å; D86-S166 PolarHBondContact OD2-OG 3.5Å; S164-S166 PolarHBondContact O-N 3.42Å; S164-S166 PolarHBondContact OG-N 3.06Å; S166-M168 PolarHBondContact O-N 2.8Å; S166-G169 PolarHBondContact O-N 2.89Å; S166-Q170 WeakPolarHBondContact O-CG 3.32Å; S166-Q170 PolarHBondContact O-N 2.91Å |
| 167 | A | 96 | Very high | 96.4 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 3% | 0.025 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.8 | -44.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D86 H161 S164 Q170 T171 | D86-A167 HydrophobicContact CB-CB 4.12Å; D86-A167 WeakPolarHBondContact O-CA 3.5Å; D86-A167 WeakPolarHBondContact O-CB 3.44Å; D86-A167 PolarHBondContact OD2-N 3.39Å; D86-A167 VanDerWaalsContact OD2-N 3.08Å; H161-A167 HydrophobicContact CB-CB 3.88Å; S164-A167 PolarHBondContact O-N 2.85Å; S164-A167 PolarHBondContact OG-N 3.47Å; A167-Q170 PolarHBondContact O-N 2.97Å; A167-T171 VanDerWaalsContact O-CG2 3.27Å; A167-T171 WeakPolarHBondContact O-CG2 3.5Å; A167-T171 PolarHBondContact O-N 2.84Å |
| 168 | M | 96 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.4 | -52.9 | 173.7 | 176.9 | 70.3 | 73.2 | 0 | 0 | 110.9 | V121 R123 F126 A158 R162 S164 S166 Q170 T171 F172 | V121-M168 HydrophobicContact CB-CB 4.43Å; V121-M168 HydrophobicContact CB-CE 4.37Å; V121-M168 HydrophobicContact CB-CG 4.48Å; V121-M168 HydrophobicContact CG1-CB 3.95Å; V121-M168 HydrophobicContact CG1-CG 3.78Å; V121-M168 WeakPolarHBondContact O-CE 3.11Å; R123-M168 HydrophobicContact CG-CE 4.35Å; R123-M168 HydrophobicContact CG-SD 4Å; F126-M168 HydrophobicContact CD2-CG 3.68Å; F126-M168 HydrophobicContact CE2-CB 3.96Å; F126-M168 HydrophobicContact CE2-CG 3.24Å; F126-M168 HydrophobicContact CZ-CB 4.18Å; F126-M168 HydrophobicContact CZ-CG 3.96Å; A158-M168 HydrophobicContact CB-SD 3.59Å; A158-M168 VanDerWaalsContact CB-SD 3.59Å; A158-M168 WeakPolarHBondContact O-CE 3.4Å; A158-M168 VanDerWaalsContact O-SD 3.34Å; R162-M168 HydrophobicContact CB-CE 4.2Å; R162-M168 HydrophobicContact CG-CE 3.52Å; S164-M168 VanDerWaalsContact O-CB 3.31Å; S164-M168 WeakPolarHBondContact O-CB 3.32Å; S164-M168 PolarHBondContact O-N 2.87Å; S166-M168 PolarHBondContact O-N 2.8Å; M168-Q170 VanDerWaalsContact C-N 3.3Å; M168-Q170 PolarHBondContact O-N 2.82Å; M168-T171 WeakPolarHBondContact O-CB 3.33Å; M168-T171 PolarHBondContact O-N 2.86Å; M168-T171 PolarHBondContact O-OG1 3.4Å; M168-F172 HydrophobicContact CG-CE2 4.48Å; M168-F172 WeakPolarHBondContact O-CD2 3.35Å; M168-F172 HydrophobicContact SD-CE2 4.2Å |
| 169 | G | 98.1 | Very high | 96.5 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 8% | 0.082 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.2 | -41.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y129 H165 S166 T171 F172 | Y129-G169 WeakPolarHBondContact CE1-O 3.47Å; H165-G169 PolarHBondContact O-N 3.17Å; S166-G169 PolarHBondContact O-N 2.89Å; G169-T171 PolarHBondContact O-N 2.84Å; G169-T171 VanDerWaalsContact O-N 3.14Å; G169-F172 WeakPolarHBondContact O-CB 3.47Å; G169-F172 PolarHBondContact O-N 2.95Å |
| 170 | Q | 98.5 | Very high | 96.8 | Very high | 54 Ų | 54 | 21.1 Ų | 21.1 | 25% | 0.252 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -66.1 | -14.4 | 177.2 | -69.6 | -173.7 | 20.8 | 0 | 0 | 113.7 | F85 Y88 S166 A167 M168 F172 I173 | F85-Q170 VanDerWaalsContact CA-OE1 3.29Å; F85-Q170 HydrophobicContact CB-CB 4.42Å; F85-Q170 VanDerWaalsContact CB-OE1 3.28Å; F85-Q170 HydrophobicContact CD1-CB 4.34Å; Y88-Q170 HydrophobicContact CE1-CB 4.44Å; Y88-Q170 PolarHBondContact OH-O 3.27Å; S166-Q170 WeakPolarHBondContact O-CG 3.32Å; S166-Q170 PolarHBondContact O-N 2.91Å; A167-Q170 PolarHBondContact O-N 2.97Å; M168-Q170 VanDerWaalsContact C-N 3.3Å; M168-Q170 PolarHBondContact O-N 2.82Å; Q170-F172 VanDerWaalsContact C-N 3.29Å; Q170-I173 WeakPolarHBondContact O-CG2 3.37Å |
| 171 | T | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -16.4 | 171.6 | 71.1 | 0 | 0 | 0 | 0 | 113.9 | Y88 H154 A158 H161 A167 M168 G169 N176 | Y88-T171 HydrophobicContact CE1-CG2 4.15Å; H154-T171 PolarHBondContact CD2-O 3.06Å; H154-T171 VanDerWaalsContact CD2-O 3.29Å; A158-T171 WeakPolarHBondContact CA-OG1 3.49Å; A158-T171 WeakPolarHBondContact CB-OG1 3.22Å; H161-T171 HydrophobicContact CB-CG2 4.36Å; H161-T171 WeakPolarHBondContact CD2-CG2 3.48Å; A167-T171 VanDerWaalsContact O-CG2 3.27Å; A167-T171 WeakPolarHBondContact O-CG2 3.5Å; A167-T171 PolarHBondContact O-N 2.84Å; M168-T171 WeakPolarHBondContact O-CB 3.33Å; M168-T171 PolarHBondContact O-N 2.86Å; M168-T171 PolarHBondContact O-OG1 3.4Å; G169-T171 PolarHBondContact O-N 2.84Å; G169-T171 VanDerWaalsContact O-N 3.14Å; T171-N176 PolarHBondContact O-ND2 3.16Å |
| 172 | F | 98.7 | Very high | 97 | Very high | 9 Ų | 9 | 22 Ų | 22 | 4% | 0.039 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3.5 | 179.3 | -75.7 | -107 | 0 | 0 | 0 | 113.4 | R123 F126 F128 Y129 H154 A158 M168 G169 Q170 L174 | R123-F172 HydrophobicContact CB-CZ 4.06Å; R123-F172 HydrophobicContact CG-CZ 4.47Å; R123-F172 VanDerWaalsContact O-CZ 3.26Å; R123-F172 WeakPolarHBondContact O-CZ 3.4Å; F126-F172 HydrophobicContact CB-CB 4.36Å; F126-F172 HydrophobicContact CB-CD1 3.89Å; F126-F172 HydrophobicContact CB-CD2 3.63Å; F126-F172 HydrophobicContact CB-CE1 3.99Å; F126-F172 HydrophobicContact CB-CE2 3.76Å; F126-F172 HydrophobicContact CB-CG 3.7Å; F126-F172 HydrophobicContact CB-CZ 3.93Å; F126-F172 HydrophobicContact CD2-CD2 4.42Å; F126-F172 HydrophobicContact CD2-CE2 4.06Å; F126-F172 HydrophobicContact CG-CD2 4.14Å; F126-F172 HydrophobicContact CG-CE2 4.19Å; F126-F172 WeakPolarHBondContact O-CE1 3.35Å; F128-F172 VanDerWaalsContact CA-O 3.28Å; F128-F172 WeakPolarHBondContact CA-O 3.49Å; F128-F172 HydrophobicContact CD1-CB 4.41Å; F128-F172 HydrophobicContact CD1-CD1 4.14Å; F128-F172 WeakPolarHBondContact CD1-O 3.17Å; F128-F172 HydrophobicContact CD2-CD1 4.2Å; F128-F172 HydrophobicContact CE1-CD1 4.18Å; F128-F172 HydrophobicContact CE2-CD1 4.25Å; F128-F172 HydrophobicContact CE2-CE1 4.43Å; F128-F172 HydrophobicContact CG-CD1 4.18Å; F128-F172 HydrophobicContact CZ-CD1 4.27Å; F128-F172 HydrophobicContact CZ-CE1 4.48Å; Y129-F172 HydrophobicContact CD1-CB 4.4Å; Y129-F172 HydrophobicContact CE1-CB 4.27Å; Y129-F172 PolarHBondContact N-O 3.22Å; H154-F172 AromaticContact NE2-CD2 3.93Å; H154-F172 AromaticContact NE2-CE2 3.94Å; A158-F172 HydrophobicContact CB-CE2 4.17Å; M168-F172 HydrophobicContact CG-CE2 4.48Å; M168-F172 WeakPolarHBondContact O-CD2 3.35Å; M168-F172 HydrophobicContact SD-CE2 4.2Å; G169-F172 WeakPolarHBondContact O-CB 3.47Å; G169-F172 PolarHBondContact O-N 2.95Å; Q170-F172 VanDerWaalsContact C-N 3.29Å; F172-L174 PolarHBondContact O-N 3.05Å |
| 173 | I | 98.7 | Very high | 97.3 | Very high | 6 Ų | 6 | 23.4 Ų | 23.4 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -63.1 | 134.2 | 173.5 | -161.3 | 169.6 | 0 | 0 | 0 | 110.4 | F85 Y88 Y129 D131 Q170 S175 N176 I177 | F85-I173 HydrophobicContact CE1-CD1 3.63Å; F85-I173 HydrophobicContact CE1-CG2 4.07Å; F85-I173 HydrophobicContact CE2-CG2 4.48Å; F85-I173 HydrophobicContact CZ-CD1 3.89Å; F85-I173 HydrophobicContact CZ-CG2 3.95Å; Y88-I173 WeakPolarHBondContact OH-CG2 3.22Å; Y129-I173 HydrophobicContact CD2-CB 4.46Å; Y129-I173 HydrophobicContact CD2-CG1 4.06Å; Y129-I173 HydrophobicContact CE1-CB 4.16Å; Y129-I173 HydrophobicContact CE2-CB 3.79Å; Y129-I173 HydrophobicContact CE2-CD1 3.79Å; Y129-I173 HydrophobicContact CE2-CG1 3.55Å; D131-I173 HydrophobicContact CB-CD1 3.76Å; D131-I173 HydrophobicContact CB-CG1 3.88Å; D131-I173 VanDerWaalsContact CG-CD1 3.44Å; Q170-I173 WeakPolarHBondContact O-CG2 3.37Å; I173-S175 PolarHBondContact O-N 3.23Å; I173-S175 VanDerWaalsContact O-N 3.13Å; I173-N176 HydrophobicContact CG2-CB 4.02Å; I173-N176 WeakPolarHBondContact O-CB 3.44Å; I173-N176 PolarHBondContact O-N 2.84Å; I173-I177 WeakPolarHBondContact O-CG1 3.16Å |
| 174 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -65.7 | -19.4 | -173.6 | -70.5 | 174.7 | 0 | 0 | 0 | 113.7 | F128 Y129 E130 S140 T141 Y145 R152 F172 N176 I177 | F128-L174 HydrophobicContact CB-CD2 4Å; F128-L174 HydrophobicContact CD1-CD2 4.31Å; Y129-L174 WeakPolarHBondContact O-CG 3.44Å; Y129-L174 PolarHBondContact O-N 3.13Å; E130-L174 HydrophobicContact CG-CD1 4.1Å; S140-L174 VanDerWaalsContact O-CD1 3.23Å; S140-L174 WeakPolarHBondContact O-CD1 3.41Å; S140-L174 WeakPolarHBondContact OG-CB 3.45Å; S140-L174 PolarHBondContact OG-O 2.99Å; T141-L174 VanDerWaalsContact C-CD1 3.47Å; Y145-L174 HydrophobicContact CD2-CD2 4.49Å; Y145-L174 HydrophobicContact CE2-CD2 4.23Å; R152-L174 HydrophobicContact CG-CD2 4.5Å; F172-L174 PolarHBondContact O-N 3.05Å; L174-N176 PolarHBondContact O-N 2.84Å; L174-I177 HydrophobicContact CD2-CB 4.26Å; L174-I177 HydrophobicContact CD2-CG1 4.14Å; L174-I177 HydrophobicContact CD2-CG2 4.42Å; L174-I177 WeakPolarHBondContact O-CB 3.27Å; L174-I177 PolarHBondContact O-N 3.07Å |
| 175 | S | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -71.2 | -2.5 | 170.7 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | C90 P99 D131 I173 | C90-S175 PolarHBondContact SG-O 3.18Å; P99-S175 WeakPolarHBondContact CG-O 3.4Å; D131-S175 WeakPolarHBondContact OD2-CB 3.27Å; D131-S175 PolarHBondContact OD2-OG 2.96Å; I173-S175 PolarHBondContact O-N 3.23Å; I173-S175 VanDerWaalsContact O-N 3.13Å |
| 176 | N | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -103.8 | 2.1 | 168.1 | -179.7 | 44.2 | 0 | 0 | 0 | 112.7 | Y88 V102 L155 A156 T171 I173 L174 | Y88-N176 HydrophobicContact CE2-CB 4.18Å; Y88-N176 WeakPolarHBondContact OH-CB 3.14Å; V102-N176 WeakPolarHBondContact CG1-OD1 3.19Å; L155-N176 PolarHBondContact N-O 3.27Å; L155-N176 VanDerWaalsContact N-O 3.07Å; A156-N176 VanDerWaalsContact CB-OD1 3.28Å; A156-N176 WeakPolarHBondContact CB-OD1 2.99Å; A156-N176 PolarHBondContact N-OD1 2.83Å; A156-N176 PolarHBondContact O-ND2 2.98Å; A156-N176 VanDerWaalsContact O-ND2 3.16Å; T171-N176 PolarHBondContact O-ND2 3.16Å; I173-N176 HydrophobicContact CG2-CB 4.02Å; I173-N176 WeakPolarHBondContact O-CB 3.44Å; I173-N176 PolarHBondContact O-N 2.84Å; L174-N176 PolarHBondContact O-N 2.84Å |
| 177 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 142.2 | -167.5 | -56.3 | -51.8 | 0 | 0 | 0 | 111.1 | F128 Y145 R152 G153 H154 I173 L174 | F128-I177 HydrophobicContact CD1-CD1 4Å; F128-I177 HydrophobicContact CD1-CG1 3.89Å; F128-I177 HydrophobicContact CE1-CD1 3.59Å; F128-I177 HydrophobicContact CE1-CG1 3.94Å; Y145-I177 HydrophobicContact CE1-CG2 4.07Å; Y145-I177 HydrophobicContact CE2-CG2 4.43Å; Y145-I177 PolarHBondContact OH-O 3.28Å; R152-I177 VanDerWaalsContact CA-CG2 3.46Å; R152-I177 HydrophobicContact CB-CG2 3.6Å; R152-I177 HydrophobicContact CG-CG2 4.06Å; G153-I177 WeakPolarHBondContact O-CA 3.28Å; H154-I177 HydrophobicContact CB-CD1 4.34Å; I173-I177 WeakPolarHBondContact O-CG1 3.16Å; L174-I177 HydrophobicContact CD2-CB 4.26Å; L174-I177 HydrophobicContact CD2-CG1 4.14Å; L174-I177 HydrophobicContact CD2-CG2 4.42Å; L174-I177 WeakPolarHBondContact O-CB 3.27Å; L174-I177 PolarHBondContact O-N 3.07Å |
| 178 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 154 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I98 G153 L155 Q180 P239 F242 | I98-A178 HydrophobicContact CB-CB 4.14Å; I98-A178 HydrophobicContact CG2-CB 3.86Å; G153-A178 WeakPolarHBondContact CA-O 3.24Å; G153-A178 PolarHBondContact N-O 3.15Å; G153-A178 PolarHBondContact O-N 3.42Å; L155-A178 HydrophobicContact CD1-CB 3.74Å; A178-Q180 PolarHBondContact O-N 3.01Å; A178-P239 HydrophobicContact CB-CG 4.19Å; A178-F242 HydrophobicContact CB-CE1 3.73Å; A178-F242 HydrophobicContact CB-CZ 3.82Å |
| 179 | P | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 119.2 | 174.8 | -21.8 | 33.3 | 0 | 0 | 0 | 111.7 | Y145 Y150 I231 I236 A237 V238 N265 | Y145-P179 HydrophobicContact CE1-CB 4.27Å; Y145-P179 HydrophobicContact CE1-CG 3.88Å; Y150-P179 HydrophobicContact CD1-CB 4.08Å; Y150-P179 HydrophobicContact CD2-CB 4.45Å; Y150-P179 HydrophobicContact CG-CB 3.85Å; P179-I231 HydrophobicContact CB-CD1 4Å; P179-I231 HydrophobicContact CG-CD1 3.6Å; P179-I231 HydrophobicContact CG-CG1 4.04Å; P179-I236 HydrophobicContact CG-CG2 3.86Å; P179-A237 WeakPolarHBondContact CD-O 3.44Å; P179-V238 HydrophobicContact CB-CB 4.33Å; P179-V238 HydrophobicContact CB-CG1 4.25Å; P179-V238 HydrophobicContact CB-CG2 3.88Å; P179-V238 HydrophobicContact CG-CG2 4.14Å; P179-N265 PolarHBondContact O-ND2 2.83Å |
| 180 | Q | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 141.5 | 175.6 | -73.5 | -171.6 | -13.4 | 0 | 0 | 110.9 | D151 A178 G182 F185 N186 F242 N265 | D151-Q180 PolarHBondContact N-O 3.14Å; D151-Q180 PolarHBondContact O-N 3.25Å; D151-Q180 VanDerWaalsContact O-N 3.13Å; A178-Q180 PolarHBondContact O-N 3.01Å; Q180-G182 PolarHBondContact O-N 3.02Å; Q180-F185 HydrophobicContact CB-CD1 4.13Å; Q180-F185 HydrophobicContact CB-CE1 4.3Å; Q180-F185 HydrophobicContact CG-CD1 4.36Å; Q180-F185 HydrophobicContact CG-CE1 4.03Å; Q180-N186 HydrophobicContact CB-CB 3.86Å; Q180-N186 VanDerWaalsContact OE1-CG 3.29Å; Q180-N186 PolarHBondContact OE1-OD1 2.65Å; Q180-F242 HydrophobicContact CG-CD2 4.23Å; Q180-F242 HydrophobicContact CG-CE1 4.28Å; Q180-F242 HydrophobicContact CG-CE2 3.47Å; Q180-F242 VanDerWaalsContact CG-CE2 3.47Å; Q180-F242 HydrophobicContact CG-CZ 3.48Å; Q180-F242 VanDerWaalsContact CG-CZ 3.48Å; Q180-N265 WeakPolarHBondContact CA-OD1 3.37Å |
| 181 | V | 98.8 | Very high | 98.1 | Very high | 32 Ų | 32 | 21.8 Ų | 21.8 | 19% | 0.194 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 127.6 | 169.6 | 171.3 | 0 | 0 | 0 | 0 | 108.4 | Y150 F185 N186 N265 R267 | Y150-V181 HydrophobicContact CD1-CG2 4.42Å; Y150-V181 HydrophobicContact CE1-CG2 4.04Å; V181-F185 HydrophobicContact CB-CB 3.96Å; V181-F185 HydrophobicContact CG1-CB 4.23Å; V181-F185 WeakPolarHBondContact O-CB 3.4Å; V181-N186 WeakPolarHBondContact O-CB 3.49Å; V181-N186 PolarHBondContact O-N 2.76Å; V181-N265 VanDerWaalsContact CG2-O 3.28Å; V181-N265 WeakPolarHBondContact CG2-O 3.45Å; V181-N265 PolarHBondContact N-OD1 2.97Å; V181-R267 HydrophobicContact CG1-CB 4.44Å |
| 182 | G | 98 | Very high | 98 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 7% | 0.072 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -72.8 | -78.8 | -172 | 0 | 0 | 0 | 0 | 0 | 113.2 | D151 Q180 F185 N186 R187 | D151-G182 WeakPolarHBondContact OD2-CA 3.31Å; Q180-G182 PolarHBondContact O-N 3.02Å; G182-F185 PolarHBondContact O-N 3.28Å; G182-N186 PolarHBondContact O-N 2.98Å; G182-R187 PolarHBondContact O-N 3.36Å; G182-R187 VanDerWaalsContact O-N 3.16Å |
| 183 | Y | 97.6 | Very high | 98 | Very high | 114 Ų | 114 | 23.7 Ų | 23.7 | 45% | 0.447 | 11% | 0.114 | S | C | . | . | I | π-helix | trans | -70 | 135.4 | 178.8 | -173.6 | -85.6 | 0 | 0 | 0 | 111.3 | F185 H188 R267 | Y183-F185 VanDerWaalsContact C-N 3.26Å; Y183-F185 PolarHBondContact O-N 2.78Å; Y183-H188 AromaticContact CD2-CE1 3.45Å; Y183-H188 VanDerWaalsContact CD2-CE1 3.45Å; Y183-H188 WeakPolarHBondContact CD2-CE1 3.33Å; Y183-H188 AromaticContact CE2-CE1 3.54Å; Y183-H188 AromaticContact CE2-NE2 3.79Å; Y183-R267 VanDerWaalsContact CE1-CZ 3.49Å |
| 184 | G | 97.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 24 Ų | 24 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | 79.1 | -16 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116 | H188 L268 | G184-H188 PolarHBondContact N-ND1 3.09Å; G184-H188 VanDerWaalsContact N-ND1 3.12Å; G184-L268 WeakPolarHBondContact O-CB 3.12Å; G184-L268 PolarHBondContact O-N 3.26Å |
| 185 | F | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -121.6 | -86.9 | 177.3 | -172.8 | -97.3 | 0 | 0 | 0 | 112.6 | Q180 V181 G182 Y183 R187 H188 G189 W190 F242 M263 P264 N265 I266 L268 | Q180-F185 HydrophobicContact CB-CD1 4.13Å; Q180-F185 HydrophobicContact CB-CE1 4.3Å; Q180-F185 HydrophobicContact CG-CD1 4.36Å; Q180-F185 HydrophobicContact CG-CE1 4.03Å; V181-F185 HydrophobicContact CB-CB 3.96Å; V181-F185 HydrophobicContact CG1-CB 4.23Å; V181-F185 WeakPolarHBondContact O-CB 3.4Å; G182-F185 PolarHBondContact O-N 3.28Å; Y183-F185 VanDerWaalsContact C-N 3.26Å; Y183-F185 PolarHBondContact O-N 2.78Å; F185-R187 VanDerWaalsContact C-N 3.33Å; F185-R187 PolarHBondContact O-N 3.5Å; F185-H188 CarbonylContact O-C 3.51Å; F185-H188 PolarHBondContact O-N 2.89Å; F185-G189 PolarHBondContact O-N 2.79Å; F185-W190 HydrophobicContact CD1-CB 4.38Å; F185-W190 HydrophobicContact CE1-CB 4.23Å; F185-W190 HydrophobicContact CE1-CG 4.44Å; F185-W190 HydrophobicContact CZ-CB 4.45Å; F185-W190 HydrophobicContact CZ-CD2 4.47Å; F185-W190 HydrophobicContact CZ-CE3 4.04Å; F185-W190 WeakPolarHBondContact O-CB 3.5Å; F185-W190 PolarHBondContact O-N 3.29Å; F185-F242 AromaticContact CE1-CD2 3.73Å; F185-F242 HydrophobicContact CE1-CD2 3.73Å; F185-F242 HydrophobicContact CE1-CE2 4.15Å; F185-F242 HydrophobicContact CZ-CB 4.43Å; F185-F242 AromaticContact CZ-CD2 3.77Å; F185-F242 HydrophobicContact CZ-CD2 3.77Å; F185-F242 HydrophobicContact CZ-CG 4.49Å; F185-M263 HydrophobicContact CE2-CB 3.73Å; F185-M263 HydrophobicContact CE2-CE 4.24Å; F185-M263 HydrophobicContact CZ-CB 4.22Å; F185-P264 VanDerWaalsContact CD2-O 3.24Å; F185-P264 WeakPolarHBondContact CD2-O 3.48Å; F185-P264 WeakPolarHBondContact CE2-O 3.29Å; F185-N265 WeakPolarHBondContact CD1-OD1 3.45Å; F185-I266 WeakPolarHBondContact CB-O 3.32Å; F185-L268 HydrophobicContact CD2-CD1 3.86Å; F185-L268 HydrophobicContact CD2-CG 4.24Å; F185-L268 HydrophobicContact CE2-CD1 4.35Å |
| 186 | N | 98.4 | Very high | 97.8 | Very high | 32 Ų | 32 | 33.1 Ų | 33.1 | 17% | 0.171 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -51.3 | -51.4 | -176.4 | 177.4 | 35.8 | 0 | 0 | 0 | 111.6 | D151 Q180 V181 G182 H188 N191 | D151-N186 HydrophobicContact CB-CB 4.37Å; D151-N186 VanDerWaalsContact CB-ND2 3.31Å; D151-N186 WeakPolarHBondContact CB-ND2 3.48Å; D151-N186 PolarHBondContact OD2-ND2 3.49Å; Q180-N186 HydrophobicContact CB-CB 3.86Å; Q180-N186 VanDerWaalsContact OE1-CG 3.29Å; Q180-N186 PolarHBondContact OE1-OD1 2.65Å; V181-N186 WeakPolarHBondContact O-CB 3.49Å; V181-N186 PolarHBondContact O-N 2.76Å; G182-N186 PolarHBondContact O-N 2.98Å; N186-H188 VanDerWaalsContact C-N 3.27Å; N186-H188 PolarHBondContact O-N 3.22Å; N186-N191 PolarHBondContact O-N 3.22Å |
| 187 | R | 95.8 | Very high | 97.7 | Very high | 148 Ų | 148 | 33.4 Ų | 33.4 | 56% | 0.558 | 15% | 0.154 | S | C | * | . | I | π-helix | trans | -76.5 | -13.1 | -175.6 | -54.8 | 177.2 | -164.8 | 177.9 | 1.8 | 113.5 | D151 G182 F185 | D151-R187 IonicContact OD1-CZ 3.21Å; D151-R187 IonicContact OD1-NE 3.52Å; D151-R187 IonicContact OD1-NH2 3.98Å; D151-R187 PolarHBondContact OD1-NH2 2.88Å; D151-R187 WeakPolarHBondContact OD2-CG 3.42Å; D151-R187 IonicContact OD2-CZ 3.81Å; D151-R187 IonicContact OD2-NE 3.56Å; D151-R187 PolarHBondContact OD2-NE 3.46Å; D151-R187 IonicContact OD2-NH2 3.71Å; D151-R187 PolarHBondContact OD2-NH2 3.17Å; G182-R187 PolarHBondContact O-N 3.36Å; G182-R187 VanDerWaalsContact O-N 3.16Å; F185-R187 VanDerWaalsContact C-N 3.33Å; F185-R187 PolarHBondContact O-N 3.5Å |
| 188 | H | 96.6 | Very high | 97.7 | Very high | 58 Ų | 58 | 34.4 Ų | 34.4 | 27% | 0.269 | 16% | 0.158 | S | C | . | . | I | π-helix | trans | -129.1 | -88.7 | -171.8 | -58.3 | 81.5 | 0 | 0 | 0 | 112.1 | Y183 G184 F185 N186 W190 N191 S192 | Y183-H188 AromaticContact CD2-CE1 3.45Å; Y183-H188 VanDerWaalsContact CD2-CE1 3.45Å; Y183-H188 WeakPolarHBondContact CD2-CE1 3.33Å; Y183-H188 AromaticContact CE2-CE1 3.54Å; Y183-H188 AromaticContact CE2-NE2 3.79Å; G184-H188 PolarHBondContact N-ND1 3.09Å; G184-H188 VanDerWaalsContact N-ND1 3.12Å; F185-H188 CarbonylContact O-C 3.51Å; F185-H188 PolarHBondContact O-N 2.89Å; N186-H188 VanDerWaalsContact C-N 3.27Å; N186-H188 PolarHBondContact O-N 3.22Å; H188-W190 PolarHBondContact O-N 2.94Å; H188-N191 PolarHBondContact O-N 3.21Å; H188-S192 WeakPolarHBondContact O-CB 3.41Å; H188-S192 PolarHBondContact O-N 3.39Å; H188-S192 PolarHBondContact O-OG 3.34Å |
| 189 | G | 97.2 | Very high | 97.5 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -58.4 | -45.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F185 S192 L193 I272 | F185-G189 PolarHBondContact O-N 2.79Å; G189-S192 WeakPolarHBondContact O-CB 3.4Å; G189-S192 PolarHBondContact O-N 3.08Å; G189-L193 PolarHBondContact O-N 2.9Å; G189-I272 VanDerWaalsContact CA-CD1 3.48Å |
| 190 | W | 98 | Very high | 97.5 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -64.2 | -48.5 | 178 | -172.4 | -112.1 | 0 | 0 | 0 | 111.8 | F185 H188 S192 L193 E194 T211 F242 K244 M263 | F185-W190 HydrophobicContact CD1-CB 4.38Å; F185-W190 HydrophobicContact CE1-CB 4.23Å; F185-W190 HydrophobicContact CE1-CG 4.44Å; F185-W190 HydrophobicContact CZ-CB 4.45Å; F185-W190 HydrophobicContact CZ-CD2 4.47Å; F185-W190 HydrophobicContact CZ-CE3 4.04Å; F185-W190 WeakPolarHBondContact O-CB 3.5Å; F185-W190 PolarHBondContact O-N 3.29Å; H188-W190 PolarHBondContact O-N 2.94Å; W190-S192 PolarHBondContact O-N 3.5Å; W190-L193 HydrophobicContact CE3-CD2 4.23Å; W190-L193 HydrophobicContact CZ3-CD2 3.97Å; W190-L193 WeakPolarHBondContact O-CB 3.47Å; W190-L193 PolarHBondContact O-N 3.46Å; W190-L193 VanDerWaalsContact O-N 3.11Å; W190-E194 PolarHBondContact NE1-OE1 3.24Å; W190-E194 VanDerWaalsContact NE1-OE1 3.15Å; W190-E194 PolarHBondContact O-N 2.86Å; W190-T211 HydrophobicContact CH2-CG2 3.93Å; W190-T211 HydrophobicContact CZ2-CG2 3.58Å; W190-F242 HydrophobicContact CE3-CB 4.26Å; W190-F242 HydrophobicContact CH2-CB 3.52Å; W190-F242 HydrophobicContact CH2-CG 4.43Å; W190-F242 HydrophobicContact CZ2-CB 4.22Å; W190-F242 HydrophobicContact CZ3-CB 3.55Å; W190-K244 HydrophobicContact CH2-CD 4.16Å; W190-K244 HydrophobicContact CH2-CG 3.7Å; W190-K244 HydrophobicContact CZ2-CD 4.32Å; W190-K244 VanDerWaalsContact CZ2-CE 3.42Å; W190-K244 HydrophobicContact CZ2-CG 4.2Å; W190-K244 HydrophobicContact CZ3-CG 4.42Å; W190-M263 HydrophobicContact CE3-SD 3.9Å; W190-M263 HydrophobicContact CZ3-SD 4.38Å |
| 191 | N | 96.6 | Very high | 97.4 | Very high | 44 Ų | 44 | 38.4 Ų | 38.4 | 24% | 0.235 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.2 | -32.9 | 173.2 | -177.3 | 28.8 | 0 | 0 | 0 | 112.6 | N186 H188 E194 K195 | N186-N191 PolarHBondContact O-N 3.22Å; H188-N191 PolarHBondContact O-N 3.21Å; N191-E194 PolarHBondContact O-N 2.85Å; N191-K195 WeakPolarHBondContact O-CB 3.41Å; N191-K195 VanDerWaalsContact O-CG 3.29Å; N191-K195 WeakPolarHBondContact O-CG 3.49Å; N191-K195 PolarHBondContact O-N 2.96Å |
| 192 | S | 96.8 | Very high | 97.3 | Very high | 48 Ų | 48 | 39.9 Ų | 39.9 | 34% | 0.336 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.9 | -41.6 | 175.9 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | H188 G189 W190 K195 Y196 | H188-S192 WeakPolarHBondContact O-CB 3.41Å; H188-S192 PolarHBondContact O-N 3.39Å; H188-S192 PolarHBondContact O-OG 3.34Å; G189-S192 WeakPolarHBondContact O-CB 3.4Å; G189-S192 PolarHBondContact O-N 3.08Å; W190-S192 PolarHBondContact O-N 3.5Å; S192-K195 PolarHBondContact O-N 3.11Å; S192-Y196 WeakPolarHBondContact O-CB 3.3Å; S192-Y196 PolarHBondContact O-N 3.16Å |
| 193 | L | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 171.5 | 176.9 | 61.1 | 0 | 0 | 0 | 111.4 | G189 W190 K195 Y196 I197 K244 W261 M263 V274 | G189-L193 PolarHBondContact O-N 2.9Å; W190-L193 HydrophobicContact CE3-CD2 4.23Å; W190-L193 HydrophobicContact CZ3-CD2 3.97Å; W190-L193 WeakPolarHBondContact O-CB 3.47Å; W190-L193 PolarHBondContact O-N 3.46Å; W190-L193 VanDerWaalsContact O-N 3.11Å; L193-K195 PolarHBondContact O-N 3.39Å; L193-Y196 PolarHBondContact O-N 2.87Å; L193-I197 HydrophobicContact CD1-CD1 3.92Å; L193-I197 HydrophobicContact CD1-CG1 4.17Å; L193-I197 HydrophobicContact CG-CD1 3.95Å; L193-I197 WeakPolarHBondContact O-CG1 3.49Å; L193-I197 PolarHBondContact O-N 3.02Å; L193-K244 HydrophobicContact CD2-CD 4.04Å; L193-K244 HydrophobicContact CD2-CG 4.33Å; L193-K244 HydrophobicContact CG-CD 4.27Å; L193-W261 HydrophobicContact CD1-CB 4.26Å; L193-W261 HydrophobicContact CD1-CD2 3.79Å; L193-W261 HydrophobicContact CD1-CE3 4.39Å; L193-W261 HydrophobicContact CD1-CG 3.7Å; L193-W261 HydrophobicContact CD2-CB 3.91Å; L193-W261 HydrophobicContact CD2-CG 4.26Å; L193-M263 HydrophobicContact CB-SD 4.03Å; L193-M263 HydrophobicContact CD2-CG 4.41Å; L193-M263 HydrophobicContact CD2-SD 3.74Å; L193-V274 HydrophobicContact CB-CG1 4.25Å; L193-V274 HydrophobicContact CD1-CB 4.23Å; L193-V274 HydrophobicContact CD1-CG1 4.43Å |
| 194 | E | 98 | Very high | 97.1 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -42.9 | 176.6 | -69.3 | -177.8 | 167.3 | 0 | 0 | 112.6 | A157 W190 N191 I197 R198 | A157-E194 VanDerWaalsContact CB-CD 3.45Å; A157-E194 HydrophobicContact CB-CG 4.23Å; A157-E194 VanDerWaalsContact CB-OE1 3.31Å; A157-E194 WeakPolarHBondContact CB-OE1 3.49Å; W190-E194 PolarHBondContact NE1-OE1 3.24Å; W190-E194 VanDerWaalsContact NE1-OE1 3.15Å; W190-E194 PolarHBondContact O-N 2.86Å; N191-E194 PolarHBondContact O-N 2.85Å; E194-I197 PolarHBondContact O-N 3.33Å; E194-R198 WeakPolarHBondContact O-CG 3.31Å; E194-R198 PolarHBondContact O-N 3.24Å; E194-R198 IonicContact OE2-NH1 2.7Å |
| 195 | K | 96.1 | Very high | 97.1 | Very high | 116 Ų | 116 | 46.5 Ų | 46.5 | 50% | 0.504 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.8 | -43.3 | 174.7 | -74.9 | 172.7 | -177.2 | 177.5 | 0 | 111.7 | N191 S192 L193 R198 A199 | N191-K195 WeakPolarHBondContact O-CB 3.41Å; N191-K195 VanDerWaalsContact O-CG 3.29Å; N191-K195 WeakPolarHBondContact O-CG 3.49Å; N191-K195 PolarHBondContact O-N 2.96Å; S192-K195 PolarHBondContact O-N 3.11Å; L193-K195 PolarHBondContact O-N 3.39Å; K195-R198 VanDerWaalsContact CG-NH2 3.26Å; K195-R198 PolarHBondContact O-N 2.89Å; K195-A199 WeakPolarHBondContact O-CB 3.4Å; K195-A199 PolarHBondContact O-N 3.27Å |
| 196 | Y | 97.3 | Very high | 97.1 | Very high | 75 Ų | 75 | 47.9 Ų | 47.9 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61 | -48.6 | 176.5 | 174.2 | -91.9 | 0 | 0 | 0 | 111.4 | S192 L193 R198 A199 V200 W261 V274 | S192-Y196 WeakPolarHBondContact O-CB 3.3Å; S192-Y196 PolarHBondContact O-N 3.16Å; L193-Y196 PolarHBondContact O-N 2.87Å; Y196-R198 VanDerWaalsContact C-N 3.33Å; Y196-R198 PolarHBondContact O-N 3.38Å; Y196-A199 WeakPolarHBondContact O-CB 3.34Å; Y196-A199 PolarHBondContact O-N 3.01Å; Y196-V200 HydrophobicContact CD1-CG2 4.26Å; Y196-V200 HydrophobicContact CE1-CG2 3.8Å; Y196-V200 HydrophobicContact CE2-CG2 4.38Å; Y196-V200 WeakPolarHBondContact O-CG2 3.46Å; Y196-V200 PolarHBondContact O-N 3.29Å; Y196-W261 HydrophobicContact CD1-CZ2 4.28Å; Y196-W261 HydrophobicContact CE1-CH2 4.43Å; Y196-W261 AromaticContact CE1-CZ2 3.74Å; Y196-W261 HydrophobicContact CE1-CZ2 3.74Å; Y196-V274 HydrophobicContact CD1-CG2 3.99Å; Y196-V274 HydrophobicContact CD2-CG2 3.64Å; Y196-V274 HydrophobicContact CE1-CG2 4.36Å; Y196-V274 HydrophobicContact CE2-CG2 4.01Å; Y196-V274 HydrophobicContact CG-CG2 3.62Å |
| 197 | I | 98 | Very high | 97.1 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 178.1 | -72.9 | 172.3 | 0 | 0 | 0 | 110.8 | L106 L193 E194 A199 V200 A201 M207 V209 K244 W261 | L106-I197 HydrophobicContact CD1-CG2 4.2Å; L193-I197 HydrophobicContact CD1-CD1 3.92Å; L193-I197 HydrophobicContact CD1-CG1 4.17Å; L193-I197 HydrophobicContact CG-CD1 3.95Å; L193-I197 WeakPolarHBondContact O-CG1 3.49Å; L193-I197 PolarHBondContact O-N 3.02Å; E194-I197 PolarHBondContact O-N 3.33Å; I197-A199 VanDerWaalsContact C-N 3.33Å; I197-A199 PolarHBondContact O-N 3.49Å; I197-V200 PolarHBondContact O-N 2.88Å; I197-A201 VanDerWaalsContact O-CB 3.31Å; I197-A201 WeakPolarHBondContact O-CB 3.47Å; I197-A201 PolarHBondContact O-N 3.15Å; I197-M207 HydrophobicContact CG2-SD 3.57Å; I197-M207 VanDerWaalsContact CG2-SD 3.57Å; I197-V209 HydrophobicContact CG2-CG2 3.93Å; I197-K244 HydrophobicContact CD1-CB 4.03Å; I197-K244 HydrophobicContact CD1-CD 3.29Å; I197-K244 HydrophobicContact CD1-CG 4.27Å; I197-W261 HydrophobicContact CD1-CE3 4.18Å; I197-W261 HydrophobicContact CD1-CZ3 4.02Å; I197-W261 HydrophobicContact CG1-CH2 4.23Å; I197-W261 HydrophobicContact CG1-CZ3 4.17Å |
| 198 | R | 97.3 | Very high | 97.2 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 8% | 0.079 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.4 | -40.4 | 173.2 | -75.4 | -171 | -66.6 | -84 | -0.5 | 112.6 | L111 N160 E194 K195 Y196 V200 A201 R202 | L111-R198 HydrophobicContact CD1-CB 4.44Å; L111-R198 HydrophobicContact CD1-CG 4.46Å; L111-R198 HydrophobicContact CD2-CG 4.13Å; N160-R198 WeakPolarHBondContact OD1-CD 3.28Å; N160-R198 WeakPolarHBondContact OD1-CG 3.44Å; N160-R198 PolarHBondContact OD1-NH1 2.95Å; E194-R198 WeakPolarHBondContact O-CG 3.31Å; E194-R198 PolarHBondContact O-N 3.24Å; E194-R198 IonicContact OE2-NH1 2.7Å; K195-R198 VanDerWaalsContact CG-NH2 3.26Å; K195-R198 PolarHBondContact O-N 2.89Å; Y196-R198 VanDerWaalsContact C-N 3.33Å; Y196-R198 PolarHBondContact O-N 3.38Å; R198-V200 VanDerWaalsContact C-N 3.34Å; R198-V200 PolarHBondContact O-N 2.87Å; R198-A201 PolarHBondContact O-N 2.9Å; R198-R202 WeakPolarHBondContact O-CG 3.46Å; R198-R202 PolarHBondContact O-N 3.07Å |
| 199 | A | 96.3 | Very high | 97.3 | Very high | 44 Ų | 44 | 37.7 Ų | 37.7 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.7 | -37.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K195 Y196 I197 | K195-A199 WeakPolarHBondContact O-CB 3.4Å; K195-A199 PolarHBondContact O-N 3.27Å; Y196-A199 WeakPolarHBondContact O-CB 3.34Å; Y196-A199 PolarHBondContact O-N 3.01Å; I197-A199 VanDerWaalsContact C-N 3.33Å; I197-A199 PolarHBondContact O-N 3.49Å |
| 200 | V | 97.2 | Very high | 97.4 | Very high | 40 Ų | 40 | 38 Ų | 38 | 24% | 0.242 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.1 | -45 | 172.1 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | Y196 I197 R198 R202 K203 S204 M207 I248 | Y196-V200 HydrophobicContact CD1-CG2 4.26Å; Y196-V200 HydrophobicContact CE1-CG2 3.8Å; Y196-V200 HydrophobicContact CE2-CG2 4.38Å; Y196-V200 WeakPolarHBondContact O-CG2 3.46Å; Y196-V200 PolarHBondContact O-N 3.29Å; I197-V200 PolarHBondContact O-N 2.88Å; R198-V200 VanDerWaalsContact C-N 3.34Å; R198-V200 PolarHBondContact O-N 2.87Å; V200-R202 VanDerWaalsContact C-N 3.3Å; V200-R202 PolarHBondContact O-N 2.91Å; V200-K203 PolarHBondContact O-N 2.76Å; V200-S204 PolarHBondContact O-N 3.45Å; V200-S204 VanDerWaalsContact O-N 3.12Å; V200-M207 HydrophobicContact CB-CE 3.81Å; V200-M207 HydrophobicContact CG1-CE 3.51Å; V200-I248 HydrophobicContact CG1-CD1 4.13Å |
| 201 | A | 97.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.2 | -36.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L106 L111 I197 R198 K203 S204 M207 | L106-A201 HydrophobicContact CB-CB 3.97Å; L106-A201 HydrophobicContact CD1-CB 4.29Å; L111-A201 HydrophobicContact CD1-CB 3.44Å; L111-A201 VanDerWaalsContact CD1-CB 3.44Å; I197-A201 VanDerWaalsContact O-CB 3.31Å; I197-A201 WeakPolarHBondContact O-CB 3.47Å; I197-A201 PolarHBondContact O-N 3.15Å; R198-A201 PolarHBondContact O-N 2.9Å; A201-K203 PolarHBondContact O-N 3.5Å; A201-S204 WeakPolarHBondContact CA-OG 3.44Å; A201-S204 PolarHBondContact O-N 2.84Å; A201-S204 PolarHBondContact O-OG 3.49Å; A201-M207 HydrophobicContact CB-CB 4.22Å; A201-M207 HydrophobicContact CB-CE 3.9Å; A201-M207 HydrophobicContact CB-SD 3.76Å |
| 202 | R | 96 | Very high | 97.6 | Very high | 63 Ų | 63 | 35.9 Ų | 35.9 | 24% | 0.238 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.2 | 174.4 | -72.6 | -172.6 | -165.1 | 106.1 | -4.6 | 113.9 | L111 D114 R198 V200 | L111-R202 HydrophobicContact CB-CG 3.7Å; L111-R202 HydrophobicContact CD1-CG 4.06Å; L111-R202 PolarHBondContact O-NE 2.69Å; L111-R202 VanDerWaalsContact O-NE 3.15Å; D114-R202 IonicContact OD2-CZ 2.69Å; D114-R202 IonicContact OD2-NH2 2.78Å; D114-R202 PolarHBondContact OD2-NH2 2.78Å; R198-R202 WeakPolarHBondContact O-CG 3.46Å; R198-R202 PolarHBondContact O-N 3.07Å; V200-R202 VanDerWaalsContact C-N 3.3Å; V200-R202 PolarHBondContact O-N 2.91Å |
| 203 | K | 96.2 | Very high | 97.7 | Very high | 181 Ų | 181 | 34.2 Ų | 34.2 | 79% | 0.787 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -14 | 178.3 | -61 | 178.7 | -176.6 | -178.7 | 0 | 113.1 | V200 A201 | V200-K203 PolarHBondContact O-N 2.76Å; A201-K203 PolarHBondContact O-N 3.5Å |
| 204 | S | 97.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -89.7 | 159.7 | 176.3 | 64.8 | 0 | 0 | 0 | 0 | 111.8 | P108 V200 A201 | P108-S204 WeakPolarHBondContact CD-O 3.36Å; P108-S204 WeakPolarHBondContact CG-O 3.39Å; V200-S204 PolarHBondContact O-N 3.45Å; V200-S204 VanDerWaalsContact O-N 3.12Å; A201-S204 WeakPolarHBondContact CA-OG 3.44Å; A201-S204 PolarHBondContact O-N 2.84Å; A201-S204 PolarHBondContact O-OG 3.49Å |
| 205 | H | 97.4 | Very high | 97.7 | Very high | 79 Ų | 79 | 36 Ų | 36 | 37% | 0.366 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -74.8 | -48.2 | 169.9 | -178.1 | 57.9 | 0 | 0 | 0 | 111.5 | Q249 D250 | H205-Q249 WeakPolarHBondContact CA-O 3.43Å; H205-Q249 WeakPolarHBondContact CB-O 3.49Å; H205-Q249 PolarHBondContact N-O 3.41Å; H205-D250 PolarHBondContact N-O 3.19Å |
| 206 | N | 97.7 | Very high | 97.8 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 16% | 0.16 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142.9 | 173.5 | -67.8 | -65.9 | 0 | 0 | 0 | 110.8 | H105 Q249 W256 | H105-N206 PolarHBondContact CE1-OD1 3.48Å; H105-N206 PolarHBondContact NE2-OD1 2.83Å; N206-Q249 HydrophobicContact CB-CB 4.18Å; N206-Q249 PolarHBondContact N-O 3.06Å; N206-Q249 PolarHBondContact ND2-OE1 2.8Å; N206-Q249 PolarHBondContact O-N 2.91Å; N206-W256 HydrophobicContact CB-CH2 3.55Å; N206-W256 HydrophobicContact CB-CZ2 4.16Å; N206-W256 HydrophobicContact CB-CZ3 4.26Å |
| 207 | M | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 130.6 | 166.2 | 179.6 | -177.4 | -68.9 | 0 | 0 | 109.7 | H105 L106 I197 V200 A201 V209 A246 A247 I248 | H105-M207 CarbonylContact C-O 3.56Å; H105-M207 PolarHBondContact CD2-O 2.78Å; L106-M207 HydrophobicContact CB-CB 4.34Å; L106-M207 HydrophobicContact CD1-SD 4.38Å; L106-M207 PolarHBondContact N-O 3.4Å; L106-M207 PolarHBondContact O-N 2.9Å; L106-M207 VanDerWaalsContact O-O 3.09Å; I197-M207 HydrophobicContact CG2-SD 3.57Å; I197-M207 VanDerWaalsContact CG2-SD 3.57Å; V200-M207 HydrophobicContact CB-CE 3.81Å; V200-M207 HydrophobicContact CG1-CE 3.51Å; A201-M207 HydrophobicContact CB-CB 4.22Å; A201-M207 HydrophobicContact CB-CE 3.9Å; A201-M207 HydrophobicContact CB-SD 3.76Å; M207-V209 HydrophobicContact CG-CG2 3.73Å; M207-V209 HydrophobicContact SD-CG2 3.71Å; M207-A246 HydrophobicContact CG-CB 4.32Å; M207-A246 HydrophobicContact SD-CB 4.42Å; M207-A247 CarbonylContact C-O 3.6Å; M207-A247 WeakPolarHBondContact CA-O 3.33Å; M207-I248 HydrophobicContact CE-CD1 3.8Å; M207-I248 HydrophobicContact CE-CG1 3.84Å; M207-I248 HydrophobicContact CE-CG2 4.46Å; M207-I248 HydrophobicContact CG-CG1 4.21Å |
| 208 | V | 98.6 | Very high | 97.6 | Very high | 21 Ų | 21 | 36 Ų | 36 | 13% | 0.127 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.9 | 171.8 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | M103 E104 A246 A247 W256 F293 | M103-V208 HydrophobicContact CE-CG1 3.37Å; M103-V208 HydrophobicContact CG-CG1 3.91Å; M103-V208 HydrophobicContact SD-CG1 4.48Å; E104-V208 CarbonylContact O-C 3.6Å; E104-V208 VanDerWaalsContact O-CA 3.3Å; E104-V208 WeakPolarHBondContact O-CA 3.42Å; V208-A246 CarbonylContact O-C 3.35Å; V208-A246 VanDerWaalsContact O-CA 3.29Å; V208-A246 WeakPolarHBondContact O-CA 3.27Å; V208-A247 PolarHBondContact N-O 3.4Å; V208-A247 PolarHBondContact O-N 3.46Å; V208-W256 HydrophobicContact CG2-CH2 4.2Å; V208-W256 HydrophobicContact CG2-CZ3 4.24Å; V208-F293 HydrophobicContact CB-CE1 4Å; V208-F293 HydrophobicContact CB-CZ 4.47Å; V208-F293 HydrophobicContact CG1-CE1 3.72Å; V208-F293 HydrophobicContact CG1-CZ 4.33Å; V208-F293 WeakPolarHBondContact O-CZ 2.92Å |
| 209 | V | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.3 | -175 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | M103 E104 L106 I197 M207 K244 V245 A246 | M103-V209 CarbonylContact C-O 3.57Å; M103-V209 WeakPolarHBondContact CA-O 3.28Å; E104-V209 PolarHBondContact N-O 3.01Å; E104-V209 PolarHBondContact O-N 2.82Å; L106-V209 HydrophobicContact CD1-CG2 3.91Å; L106-V209 HydrophobicContact CG-CG2 4.38Å; I197-V209 HydrophobicContact CG2-CG2 3.93Å; M207-V209 HydrophobicContact CG-CG2 3.73Å; M207-V209 HydrophobicContact SD-CG2 3.71Å; V209-K244 HydrophobicContact CG1-CB 4.35Å; V209-K244 HydrophobicContact CG1-CD 4.4Å; V209-K244 HydrophobicContact CG1-CG 4.5Å; V209-V245 WeakPolarHBondContact CA-O 3.39Å; V209-A246 HydrophobicContact CG2-CB 4.29Å |
| 210 | I | 98.9 | Very high | 97.3 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.051 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 125 | 169.6 | -59.3 | 174.7 | 0 | 0 | 0 | 108 | W101 V102 M103 F243 K244 V245 F292 F293 | W101-I210 HydrophobicContact CB-CG2 3.74Å; W101-I210 HydrophobicContact CD2-CG2 4.33Å; W101-I210 HydrophobicContact CE3-CG2 4.39Å; W101-I210 HydrophobicContact CG-CG2 4.09Å; V102-I210 CarbonylContact O-C 3.6Å; V102-I210 WeakPolarHBondContact O-CA 3.4Å; M103-I210 HydrophobicContact CB-CG1 4.2Å; M103-I210 HydrophobicContact CG-CG1 3.94Å; M103-I210 HydrophobicContact SD-CG1 4.46Å; I210-F243 HydrophobicContact CG2-CE2 4.08Å; I210-K244 CarbonylContact O-C 3.59Å; I210-K244 WeakPolarHBondContact O-CA 3.29Å; I210-V245 PolarHBondContact N-O 2.96Å; I210-V245 PolarHBondContact O-N 3.25Å; I210-F292 HydrophobicContact CB-CD1 4.42Å; I210-F292 HydrophobicContact CD1-CD1 3.74Å; I210-F292 HydrophobicContact CG2-CD1 4.06Å; I210-F292 HydrophobicContact CG2-CE1 3.83Å; I210-F293 HydrophobicContact CD1-CD1 4.41Å; I210-F293 HydrophobicContact CD1-CE1 3.81Å; I210-F293 HydrophobicContact CD1-CE2 4.24Å; I210-F293 HydrophobicContact CD1-CZ 3.72Å; I210-F293 HydrophobicContact CG1-CE1 4.16Å; I210-F293 HydrophobicContact CG1-CZ 3.85Å |
| 211 | T | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134.8 | 179.9 | -54.6 | 0 | 0 | 0 | 0 | 109.6 | W101 V102 L155 W190 F243 K244 | W101-T211 CarbonylContact C-O 3.52Å; W101-T211 WeakPolarHBondContact CA-O 3.43Å; W101-T211 WeakPolarHBondContact CB-O 3.38Å; V102-T211 PolarHBondContact N-O 3.26Å; V102-T211 PolarHBondContact O-N 3.42Å; L155-T211 HydrophobicContact CB-CG2 4.05Å; L155-T211 HydrophobicContact CG-CG2 4.04Å; L155-T211 WeakPolarHBondContact O-CG2 3.35Å; W190-T211 HydrophobicContact CH2-CG2 3.93Å; W190-T211 HydrophobicContact CZ2-CG2 3.58Å; T211-F243 WeakPolarHBondContact CA-O 3.27Å; T211-F243 WeakPolarHBondContact CG2-O 3.49Å; T211-K244 HydrophobicContact CG2-CG 3.95Å; T211-K244 PolarHBondContact OG1-NZ 3.43Å |
| 212 | G | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 169.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F242 F243 | G212-F242 WeakPolarHBondContact O-CA 3.45Å; G212-F243 VanDerWaalsContact C-CD1 3.44Å; G212-F243 PolarHBondContact N-O 3.4Å; G212-F243 VanDerWaalsContact N-O 3.17Å; G212-F243 WeakPolarHBondContact O-CD1 3.42Å; G212-F243 PolarHBondContact O-N 3.05Å |
| 213 | P | 98.8 | Very high | 97.2 | Very high | 13 Ų | 13 | 55.3 Ų | 55.3 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 161.3 | 172.4 | 35.4 | -34.5 | 0 | 0 | 0 | 112.3 | I98 P99 Y100 F215 P239 H241 F242 F243 | I98-P213 HydrophobicContact CD1-CB 4.07Å; I98-P213 HydrophobicContact CD1-CG 3.81Å; I98-P213 HydrophobicContact CG1-CG 4.46Å; P99-P213 WeakPolarHBondContact O-CD 3.49Å; P99-P213 WeakPolarHBondContact O-CG 3.41Å; Y100-P213 WeakPolarHBondContact O-CD 3.43Å; P213-F215 HydrophobicContact CB-CE2 4.44Å; P213-P239 HydrophobicContact CB-CB 3.54Å; P213-P239 HydrophobicContact CB-CG 3.39Å; P213-H241 CarbonylContact C-O 3.54Å; P213-F242 HydrophobicContact CB-CD1 4.44Å; P213-F242 HydrophobicContact CB-CE1 4.26Å; P213-F243 WeakPolarHBondContact O-CE1 3.09Å |
| 214 | L | 98.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 150.2 | 163.7 | -58.6 | 168.1 | 0 | 0 | 0 | 110.9 | L216 T240 H241 F243 V262 A287 | L214-L216 HydrophobicContact CB-CD2 3.94Å; L214-L216 HydrophobicContact CB-CG 4.04Å; L214-L216 HydrophobicContact CD1-CD1 4.49Å; L214-L216 HydrophobicContact CD1-CD2 4.19Å; L214-T240 PolarHBondContact O-N 3.11Å; L214-T240 PolarHBondContact O-OG1 3.49Å; L214-H241 HydrophobicContact CB-CB 4.19Å; L214-H241 PolarHBondContact N-O 2.96Å; L214-H241 PolarHBondContact O-N 3.43Å; L214-F243 HydrophobicContact CD1-CB 4.3Å; L214-F243 HydrophobicContact CD1-CD1 4.3Å; L214-F243 HydrophobicContact CD2-CD1 3.83Å; L214-F243 HydrophobicContact CD2-CE1 4.15Å; L214-F243 HydrophobicContact CG-CD1 3.79Å; L214-V262 HydrophobicContact CD1-CG1 4.02Å; L214-V262 HydrophobicContact CD1-CG2 3.95Å; L214-A287 HydrophobicContact CD1-CB 4.43Å; L214-A287 HydrophobicContact CD2-CB 4.03Å |
| 215 | F | 98.4 | Very high | 97.2 | Very high | 47 Ų | 47 | 57.8 Ų | 57.8 | 21% | 0.206 | 31% | 0.311 | C | S | . | . | trans | -119 | 84.2 | 173.1 | -61.7 | -84.8 | 0 | 0 | 0 | 108.6 | I98 P213 V226 Y228 A237 V238 P239 T240 | I98-F215 HydrophobicContact CD1-CE2 4.1Å; I98-F215 HydrophobicContact CD1-CZ 3.75Å; P213-F215 HydrophobicContact CB-CE2 4.44Å; F215-V226 HydrophobicContact CB-CG1 3.99Å; F215-Y228 HydrophobicContact CB-CD1 4.47Å; F215-Y228 AromaticContact CD1-CD1 3.45Å; F215-Y228 HydrophobicContact CD1-CD1 3.45Å; F215-Y228 VanDerWaalsContact CD1-CD1 3.45Å; F215-Y228 HydrophobicContact CD1-CD2 4.15Å; F215-Y228 AromaticContact CD1-CE1 3.95Å; F215-Y228 HydrophobicContact CD1-CE1 3.95Å; F215-Y228 AromaticContact CD1-CG 3.56Å; F215-Y228 HydrophobicContact CD1-CG 3.56Å; F215-Y228 HydrophobicContact CE1-CD1 4Å; F215-Y228 AromaticContact CE1-CD2 3.84Å; F215-Y228 HydrophobicContact CE1-CD2 3.84Å; F215-Y228 HydrophobicContact CE1-CE1 4.37Å; F215-Y228 HydrophobicContact CE1-CE2 4.22Å; F215-Y228 AromaticContact CE1-CG 3.71Å; F215-Y228 HydrophobicContact CE1-CG 3.71Å; F215-Y228 HydrophobicContact CG-CD1 4.24Å; F215-Y228 HydrophobicContact CG-CE1 4.45Å; F215-A237 HydrophobicContact CE1-CB 3.88Å; F215-A237 HydrophobicContact CZ-CB 3.66Å; F215-V238 WeakPolarHBondContact CE1-O 3.33Å; F215-P239 HydrophobicContact CZ-CB 4.48Å; F215-P239 HydrophobicContact CZ-CG 4.3Å; F215-T240 WeakPolarHBondContact CA-OG1 3.37Å | ||
| 216 | L | 97.9 | Very high | 97.1 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 13% | 0.126 | 32% | 0.316 | C | S | . | . | trans | -85.9 | 141.9 | -172 | -60.1 | -172.2 | 0 | 0 | 0 | 111.5 | L214 T240 H241 A287 | L214-L216 HydrophobicContact CB-CD2 3.94Å; L214-L216 HydrophobicContact CB-CG 4.04Å; L214-L216 HydrophobicContact CD1-CD1 4.49Å; L214-L216 HydrophobicContact CD1-CD2 4.19Å; L216-T240 PolarHBondContact N-OG1 3.28Å; L216-H241 HydrophobicContact CD1-CB 4.43Å; L216-A287 HydrophobicContact CD2-CB 3.68Å | ||
| 217 | P | 96.6 | Very high | 97 | Very high | 70 Ų | 70 | 60.3 Ų | 60.3 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | trans | -69.1 | 144.7 | 176.9 | 28.7 | -34.3 | 0 | 0 | 0 | 111.4 | K224 I225 V226 | P217-K224 HydrophobicContact CB-CB 4.33Å; P217-I225 CarbonylContact C-O 3.54Å; P217-I225 WeakPolarHBondContact CA-O 3.28Å; P217-V226 HydrophobicContact CB-CG2 3.86Å | ||
| 218 | Q | 93.5 | Very high | 97 | Very high | 102 Ų | 102 | 63.8 Ų | 63.8 | 48% | 0.477 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 148.8 | 171.2 | -60.1 | -178.3 | 16.1 | 0 | 0 | 109.6 | V220 K224 I225 | Q218-V220 PolarHBondContact O-N 3.35Å; Q218-K224 WeakPolarHBondContact O-CA 3.47Å; Q218-I225 PolarHBondContact N-O 2.76Å; Q218-I225 PolarHBondContact O-N 3.29Å |
| 219 | N | 95.2 | Very high | 97 | Very high | 125 Ų | 125 | 67.3 Ų | 67.3 | 67% | 0.668 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 111.3 | 171.9 | -69.3 | -56.2 | 0 | 0 | 0 | 109 | K223 K224 | N219-K223 CarbonylContact C-O 3.57Å; N219-K223 WeakPolarHBondContact CA-O 3.03Å; N219-K224 WeakPolarHBondContact OD1-CG 3.48Å |
| 220 | V | 93.3 | Very high | 97 | Very high | 58 Ų | 58 | 70.2 Ų | 70.2 | 35% | 0.352 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 117.6 | 174.4 | -177.9 | 0 | 0 | 0 | 0 | 107.6 | Q218 G222 K223 I225 | Q218-V220 PolarHBondContact O-N 3.35Å; V220-G222 VanDerWaalsContact C-N 3.26Å; V220-G222 PolarHBondContact O-N 3.36Å; V220-K223 PolarHBondContact N-O 3.41Å; V220-K223 PolarHBondContact O-N 3.12Å; V220-I225 HydrophobicContact CB-CD1 3.92Å; V220-I225 HydrophobicContact CB-CG1 4.44Å; V220-I225 HydrophobicContact CG1-CD1 4.45Å; V220-I225 HydrophobicContact CG2-CD1 4.46Å |
| 221 | N | 94.6 | Very high | 97 | Very high | 160 Ų | 160 | 70.1 Ų | 70.1 | 86% | 0.856 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 44.2 | 179.3 | -57.2 | -27.9 | 0 | 0 | 0 | 113.2 | K223 | N221-K223 VanDerWaalsContact C-N 3.27Å; N221-K223 PolarHBondContact O-N 2.65Å |
| 222 | G | 95.2 | Very high | 97 | Very high | 79 Ų | 79 | 71.7 Ų | 71.7 | 81% | 0.814 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 1.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | V220 | V220-G222 VanDerWaalsContact C-N 3.26Å; V220-G222 PolarHBondContact O-N 3.36Å |
| 223 | K | 97.1 | Very high | 96.9 | Very high | 151 Ų | 151 | 79 Ų | 79 | 66% | 0.657 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 140.3 | 176.4 | -63.9 | -176.6 | 179.2 | -179 | 0 | 111 | N219 V220 N221 I225 | N219-K223 CarbonylContact C-O 3.57Å; N219-K223 WeakPolarHBondContact CA-O 3.03Å; V220-K223 PolarHBondContact N-O 3.41Å; V220-K223 PolarHBondContact O-N 3.12Å; N221-K223 VanDerWaalsContact C-N 3.27Å; N221-K223 PolarHBondContact O-N 2.65Å; K223-I225 HydrophobicContact CB-CD1 4.48Å; K223-I225 HydrophobicContact CB-CG1 4.2Å; K223-I225 PolarHBondContact O-N 3.07Å |
| 224 | K | 96.2 | Very high | 96.8 | Very high | 166 Ų | 166 | 80.5 Ų | 80.5 | 72% | 0.722 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 118 | 168.1 | -71.8 | -176.6 | 177.9 | -179 | 0 | 109.1 | P217 Q218 N219 | P217-K224 HydrophobicContact CB-CB 4.33Å; Q218-K224 WeakPolarHBondContact O-CA 3.47Å; N219-K224 WeakPolarHBondContact OD1-CG 3.48Å |
| 225 | I | 97.2 | Very high | 96.8 | Very high | 71 Ų | 71 | 84.8 Ų | 84.8 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 131.8 | -178.3 | -56.5 | -173.4 | 0 | 0 | 0 | 109 | P217 Q218 V220 K223 | P217-I225 CarbonylContact C-O 3.54Å; P217-I225 WeakPolarHBondContact CA-O 3.28Å; Q218-I225 PolarHBondContact N-O 2.76Å; Q218-I225 PolarHBondContact O-N 3.29Å; V220-I225 HydrophobicContact CB-CD1 3.92Å; V220-I225 HydrophobicContact CB-CG1 4.44Å; V220-I225 HydrophobicContact CG1-CD1 4.45Å; V220-I225 HydrophobicContact CG2-CD1 4.46Å; K223-I225 HydrophobicContact CB-CD1 4.48Å; K223-I225 HydrophobicContact CB-CG1 4.2Å; K223-I225 PolarHBondContact O-N 3.07Å |
| 226 | V | 96.3 | Very high | 96.8 | Very high | 77 Ų | 77 | 82.5 Ų | 82.5 | 47% | 0.467 | 45% | 0.454 | S | S | . | . | trans | -93.7 | 116.8 | 165.8 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | F215 P217 Y228 | F215-V226 HydrophobicContact CB-CG1 3.99Å; P217-V226 HydrophobicContact CB-CG2 3.86Å; V226-Y228 HydrophobicContact CG1-CD1 4.24Å; V226-Y228 HydrophobicContact CG1-CE1 4.5Å | ||
| 227 | T | 96.3 | Very high | 96.9 | Very high | 84 Ų | 84 | 81.4 Ų | 81.4 | 52% | 0.515 | 45% | 0.448 | S | S | . | . | trans | -133.1 | 144.6 | 174.3 | -172.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 228 | Y | 97.8 | Very high | 97 | Very high | 75 Ų | 75 | 78.4 Ų | 78.4 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | trans | -155.4 | 153.5 | 177.6 | 54.8 | -92.5 | 0 | 0 | 0 | 110.3 | F215 V226 V230 A237 V238 | F215-Y228 HydrophobicContact CB-CD1 4.47Å; F215-Y228 AromaticContact CD1-CD1 3.45Å; F215-Y228 HydrophobicContact CD1-CD1 3.45Å; F215-Y228 VanDerWaalsContact CD1-CD1 3.45Å; F215-Y228 HydrophobicContact CD1-CD2 4.15Å; F215-Y228 AromaticContact CD1-CE1 3.95Å; F215-Y228 HydrophobicContact CD1-CE1 3.95Å; F215-Y228 AromaticContact CD1-CG 3.56Å; F215-Y228 HydrophobicContact CD1-CG 3.56Å; F215-Y228 HydrophobicContact CE1-CD1 4Å; F215-Y228 AromaticContact CE1-CD2 3.84Å; F215-Y228 HydrophobicContact CE1-CD2 3.84Å; F215-Y228 HydrophobicContact CE1-CE1 4.37Å; F215-Y228 HydrophobicContact CE1-CE2 4.22Å; F215-Y228 AromaticContact CE1-CG 3.71Å; F215-Y228 HydrophobicContact CE1-CG 3.71Å; F215-Y228 HydrophobicContact CG-CD1 4.24Å; F215-Y228 HydrophobicContact CG-CE1 4.45Å; V226-Y228 HydrophobicContact CG1-CD1 4.24Å; V226-Y228 HydrophobicContact CG1-CE1 4.5Å; Y228-V230 HydrophobicContact CD2-CG1 4.3Å; Y228-V230 HydrophobicContact CE2-CG1 4.1Å; Y228-A237 HydrophobicContact CD2-CB 3.96Å; Y228-A237 HydrophobicContact CE2-CB 3.66Å; Y228-V238 WeakPolarHBondContact CB-O 3.34Å | ||
| 229 | E | 98.5 | Very high | 97.2 | Very high | 95 Ų | 95 | 73.6 Ų | 73.6 | 44% | 0.444 | 41% | 0.407 | S | S | . | . | trans | -76 | 154.2 | 174.5 | -178.8 | 177.4 | 171.2 | 0 | 0 | 110.6 | Y150 I231 V238 | Y150-E229 WeakPolarHBondContact CE2-OE2 3.41Å; Y150-E229 PolarHBondContact OH-OE2 2.98Å; E229-I231 HydrophobicContact CG-CG2 4.48Å; E229-V238 HydrophobicContact CB-CB 4.09Å; E229-V238 HydrophobicContact CB-CG2 3.91Å; E229-V238 HydrophobicContact CG-CG2 4.06Å; E229-V238 WeakPolarHBondContact O-CB 3.3Å; E229-V238 WeakPolarHBondContact O-CG2 3.39Å; E229-V238 PolarHBondContact O-N 3.28Å | ||
| 230 | V | 98.8 | Very high | 97.4 | Very high | 63 Ų | 63 | 68.6 Ų | 68.6 | 38% | 0.382 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145.8 | 165.6 | -63.2 | 0 | 0 | 0 | 0 | 109.5 | Y228 N235 I236 | Y228-V230 HydrophobicContact CD2-CG1 4.3Å; Y228-V230 HydrophobicContact CE2-CG1 4.1Å; V230-N235 HydrophobicContact CB-CB 4.07Å; V230-N235 HydrophobicContact CG1-CB 4.43Å; V230-N235 HydrophobicContact CG2-CB 4.11Å; V230-N235 WeakPolarHBondContact CG2-OD1 3.4Å; V230-I236 CarbonylContact C-O 3.51Å; V230-I236 WeakPolarHBondContact CA-O 3.44Å |
| 231 | I | 98.7 | Very high | 97.7 | Very high | 7 Ų | 7 | 67 Ų | 67 | 4% | 0.036 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 154.3 | -179.5 | 67.5 | 169.3 | 0 | 0 | 0 | 112 | Y145 Y150 P179 E229 N235 I236 V238 | Y145-I231 HydrophobicContact CD1-CD1 3.76Å; Y145-I231 HydrophobicContact CE1-CD1 3.98Å; Y145-I231 HydrophobicContact CG-CD1 4.16Å; Y150-I231 HydrophobicContact CD2-CG2 3.81Å; Y150-I231 HydrophobicContact CE2-CG2 3.98Å; P179-I231 HydrophobicContact CB-CD1 4Å; P179-I231 HydrophobicContact CG-CD1 3.6Å; P179-I231 HydrophobicContact CG-CG1 4.04Å; E229-I231 HydrophobicContact CG-CG2 4.48Å; I231-N235 WeakPolarHBondContact O-CA 3.4Å; I231-N235 PolarHBondContact O-N 2.94Å; I231-I236 HydrophobicContact CG1-CB 3.9Å; I231-I236 PolarHBondContact N-O 3.33Å; I231-I236 PolarHBondContact O-N 2.68Å; I231-V238 HydrophobicContact CG2-CG2 3.71Å |
| 232 | G | 98.2 | Very high | 97.9 | Very high | 34 Ų | 34 | 59.3 Ų | 59.3 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 178.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D144 N234 N235 | D144-G232 PolarHBondContact O-N 3.08Å; D144-G232 WeakPolarHBondContact OD1-CA 3.21Å; G232-N234 PolarHBondContact O-N 2.96Å; G232-N235 PolarHBondContact O-N 3.39Å |
| 233 | N | 97.3 | Very high | 98 | Very high | 154 Ų | 154 | 55.6 Ų | 55.6 | 82% | 0.824 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -24.8 | 178.8 | -68.8 | -19.3 | 0 | 0 | 0 | 111.5 | D144 N235 | D144-N233 PolarHBondContact OD1-N 3.14Å; N233-N235 VanDerWaalsContact C-N 3.31Å |
| 234 | N | 98 | Very high | 98.1 | Very high | 44 Ų | 44 | 48.6 Ų | 48.6 | 24% | 0.235 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 3.1 | 178.8 | -66.3 | -45.1 | 0 | 0 | 0 | 113.6 | R97 D144 G232 I236 | R97-N234 VanDerWaalsContact CD-O 3.24Å; R97-N234 WeakPolarHBondContact CD-O 3.4Å; R97-N234 PolarHBondContact NE-O 3.34Å; R97-N234 PolarHBondContact NH1-O 2.95Å; D144-N234 PolarHBondContact OD1-N 3.24Å; D144-N234 PolarHBondContact OD1-ND2 2.83Å; D144-N234 PolarHBondContact OD2-ND2 3.45Å; G232-N234 PolarHBondContact O-N 2.96Å; N234-I236 PolarHBondContact O-N 3.2Å |
| 235 | N | 98.1 | Very high | 98.2 | Very high | 94 Ų | 94 | 40.7 Ų | 40.7 | 50% | 0.503 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 53.9 | 180 | -64 | -52.3 | 0 | 0 | 0 | 113.1 | V230 I231 G232 N233 A237 | V230-N235 HydrophobicContact CB-CB 4.07Å; V230-N235 HydrophobicContact CG1-CB 4.43Å; V230-N235 HydrophobicContact CG2-CB 4.11Å; V230-N235 WeakPolarHBondContact CG2-OD1 3.4Å; I231-N235 WeakPolarHBondContact O-CA 3.4Å; I231-N235 PolarHBondContact O-N 2.94Å; G232-N235 PolarHBondContact O-N 3.39Å; N233-N235 VanDerWaalsContact C-N 3.31Å; N235-A237 PolarHBondContact O-N 3.33Å |
| 236 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 125 | 176 | -55 | 177.3 | 0 | 0 | 0 | 108.2 | R97 I98 D144 Y145 P179 V230 I231 N234 | R97-I236 HydrophobicContact CB-CG1 4.16Å; I98-I236 HydrophobicContact CG2-CG2 3.55Å; D144-I236 HydrophobicContact CB-CD1 3.35Å; D144-I236 HydrophobicContact CB-CG1 4.08Å; Y145-I236 HydrophobicContact CD2-CD1 4.11Å; Y145-I236 HydrophobicContact CE2-CD1 3.52Å; P179-I236 HydrophobicContact CG-CG2 3.86Å; V230-I236 CarbonylContact C-O 3.51Å; V230-I236 WeakPolarHBondContact CA-O 3.44Å; I231-I236 HydrophobicContact CG1-CB 3.9Å; I231-I236 PolarHBondContact N-O 3.33Å; I231-I236 PolarHBondContact O-N 2.68Å; N234-I236 PolarHBondContact O-N 3.2Å |
| 237 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 134.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N96 I98 P179 F215 Y228 N235 P239 | N96-A237 HydrophobicContact CB-CB 3.75Å; N96-A237 PolarHBondContact O-N 2.93Å; I98-A237 HydrophobicContact CD1-CB 4.39Å; P179-A237 WeakPolarHBondContact CD-O 3.44Å; F215-A237 HydrophobicContact CE1-CB 3.88Å; F215-A237 HydrophobicContact CZ-CB 3.66Å; Y228-A237 HydrophobicContact CD2-CB 3.96Å; Y228-A237 HydrophobicContact CE2-CB 3.66Å; N235-A237 PolarHBondContact O-N 3.33Å; A237-P239 WeakPolarHBondContact O-CD 3.21Å |
| 238 | V | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | trans | -88.5 | 113 | 171 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | Y150 P179 F215 Y228 E229 I231 | Y150-V238 HydrophobicContact CD1-CG1 4.08Å; Y150-V238 HydrophobicContact CD2-CG2 4.26Å; Y150-V238 HydrophobicContact CE1-CG1 3.43Å; Y150-V238 VanDerWaalsContact CE1-CG1 3.43Å; Y150-V238 HydrophobicContact CE1-CG2 4.41Å; Y150-V238 HydrophobicContact CE2-CG1 4.32Å; Y150-V238 HydrophobicContact CE2-CG2 3.86Å; P179-V238 HydrophobicContact CB-CB 4.33Å; P179-V238 HydrophobicContact CB-CG1 4.25Å; P179-V238 HydrophobicContact CB-CG2 3.88Å; P179-V238 HydrophobicContact CG-CG2 4.14Å; F215-V238 WeakPolarHBondContact CE1-O 3.33Å; Y228-V238 WeakPolarHBondContact CB-O 3.34Å; E229-V238 HydrophobicContact CB-CB 4.09Å; E229-V238 HydrophobicContact CB-CG2 3.91Å; E229-V238 HydrophobicContact CG-CG2 4.06Å; E229-V238 WeakPolarHBondContact O-CB 3.3Å; E229-V238 WeakPolarHBondContact O-CG2 3.39Å; E229-V238 PolarHBondContact O-N 3.28Å; I231-V238 HydrophobicContact CG2-CG2 3.71Å | ||
| 239 | P | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.013 | 15% | 0.152 | C | C | . | . | trans | -61.7 | 140.9 | 178.2 | -27.6 | 40.2 | 0 | 0 | 0 | 111.8 | I98 A178 P213 F215 A237 H241 F242 N265 | I98-P239 HydrophobicContact CD1-CG 3.81Å; A178-P239 HydrophobicContact CB-CG 4.19Å; P213-P239 HydrophobicContact CB-CB 3.54Å; P213-P239 HydrophobicContact CB-CG 3.39Å; F215-P239 HydrophobicContact CZ-CB 4.48Å; F215-P239 HydrophobicContact CZ-CG 4.3Å; A237-P239 WeakPolarHBondContact O-CD 3.21Å; P239-H241 VanDerWaalsContact C-N 3.32Å; P239-H241 WeakPolarHBondContact CB-O 3.45Å; P239-F242 HydrophobicContact CB-CD2 4.41Å; P239-F242 HydrophobicContact CB-CE1 4.14Å; P239-F242 HydrophobicContact CB-CE2 3.82Å; P239-F242 HydrophobicContact CB-CZ 3.69Å; P239-F242 HydrophobicContact CG-CE1 3.85Å; P239-F242 HydrophobicContact CG-CE2 4.1Å; P239-F242 HydrophobicContact CG-CZ 3.46Å; P239-F242 VanDerWaalsContact CG-CZ 3.46Å; P239-N265 WeakPolarHBondContact O-CB 3.29Å; P239-N265 PolarHBondContact O-ND2 3Å | ||
| 240 | T | 98.7 | Very high | 98.5 | Very high | 20 Ų | 20 | 26.8 Ų | 26.8 | 12% | 0.123 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -72.9 | -31.5 | 172.7 | 63.3 | 0 | 0 | 0 | 0 | 111.6 | L214 F215 L216 N265 | L214-T240 PolarHBondContact O-N 3.11Å; L214-T240 PolarHBondContact O-OG1 3.49Å; F215-T240 WeakPolarHBondContact CA-OG1 3.37Å; L216-T240 PolarHBondContact N-OG1 3.28Å; T240-N265 WeakPolarHBondContact O-CB 3.33Å; T240-N265 PolarHBondContact O-N 3.12Å |
| 241 | H | 98.8 | Very high | 98.4 | Very high | 23 Ų | 23 | 31.1 Ų | 31.1 | 11% | 0.106 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 163.8 | -178.9 | -58.4 | 68.7 | 0 | 0 | 0 | 109.3 | P213 L214 L216 P239 V262 M263 P264 | P213-H241 CarbonylContact C-O 3.54Å; L214-H241 HydrophobicContact CB-CB 4.19Å; L214-H241 PolarHBondContact N-O 2.96Å; L214-H241 PolarHBondContact O-N 3.43Å; L216-H241 HydrophobicContact CD1-CB 4.43Å; P239-H241 VanDerWaalsContact C-N 3.32Å; P239-H241 WeakPolarHBondContact CB-O 3.45Å; H241-V262 HydrophobicContact CB-CG1 4.03Å; H241-M263 CarbonylContact C-O 3.59Å; H241-M263 WeakPolarHBondContact CA-O 3.31Å; H241-M263 WeakPolarHBondContact CB-O 3.31Å; H241-P264 WeakPolarHBondContact CD2-CA 3.37Å |
| 242 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 150.3 | 167.8 | -70.9 | -90.2 | 0 | 0 | 0 | 110 | L155 A178 Q180 F185 W190 G212 P213 P239 V262 M263 N265 | L155-F242 HydrophobicContact CD1-CE1 4.06Å; A178-F242 HydrophobicContact CB-CE1 3.73Å; A178-F242 HydrophobicContact CB-CZ 3.82Å; Q180-F242 HydrophobicContact CG-CD2 4.23Å; Q180-F242 HydrophobicContact CG-CE1 4.28Å; Q180-F242 HydrophobicContact CG-CE2 3.47Å; Q180-F242 VanDerWaalsContact CG-CE2 3.47Å; Q180-F242 HydrophobicContact CG-CZ 3.48Å; Q180-F242 VanDerWaalsContact CG-CZ 3.48Å; F185-F242 AromaticContact CE1-CD2 3.73Å; F185-F242 HydrophobicContact CE1-CD2 3.73Å; F185-F242 HydrophobicContact CE1-CE2 4.15Å; F185-F242 HydrophobicContact CZ-CB 4.43Å; F185-F242 AromaticContact CZ-CD2 3.77Å; F185-F242 HydrophobicContact CZ-CD2 3.77Å; F185-F242 HydrophobicContact CZ-CG 4.49Å; W190-F242 HydrophobicContact CE3-CB 4.26Å; W190-F242 HydrophobicContact CH2-CB 3.52Å; W190-F242 HydrophobicContact CH2-CG 4.43Å; W190-F242 HydrophobicContact CZ2-CB 4.22Å; W190-F242 HydrophobicContact CZ3-CB 3.55Å; G212-F242 WeakPolarHBondContact O-CA 3.45Å; P213-F242 HydrophobicContact CB-CD1 4.44Å; P213-F242 HydrophobicContact CB-CE1 4.26Å; P239-F242 HydrophobicContact CB-CD2 4.41Å; P239-F242 HydrophobicContact CB-CE1 4.14Å; P239-F242 HydrophobicContact CB-CE2 3.82Å; P239-F242 HydrophobicContact CB-CZ 3.69Å; P239-F242 HydrophobicContact CG-CE1 3.85Å; P239-F242 HydrophobicContact CG-CE2 4.1Å; P239-F242 HydrophobicContact CG-CZ 3.46Å; P239-F242 VanDerWaalsContact CG-CZ 3.46Å; F242-V262 CarbonylContact O-C 3.58Å; F242-V262 WeakPolarHBondContact O-CA 3.38Å; F242-M263 PolarHBondContact N-O 3.42Å; F242-M263 PolarHBondContact O-N 2.9Å; F242-N265 HydrophobicContact CD2-CB 4.11Å; F242-N265 HydrophobicContact CE2-CB 3.98Å |
| 243 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 155 | 175.3 | 73.1 | -96.7 | 0 | 0 | 0 | 112 | W101 I210 T211 G212 P213 L214 V245 W261 V262 V284 F292 | W101-F243 HydrophobicContact CB-CZ 4.37Å; I210-F243 HydrophobicContact CG2-CE2 4.08Å; T211-F243 WeakPolarHBondContact CA-O 3.27Å; T211-F243 WeakPolarHBondContact CG2-O 3.49Å; G212-F243 VanDerWaalsContact C-CD1 3.44Å; G212-F243 PolarHBondContact N-O 3.4Å; G212-F243 VanDerWaalsContact N-O 3.17Å; G212-F243 WeakPolarHBondContact O-CD1 3.42Å; G212-F243 PolarHBondContact O-N 3.05Å; P213-F243 WeakPolarHBondContact O-CE1 3.09Å; L214-F243 HydrophobicContact CD1-CB 4.3Å; L214-F243 HydrophobicContact CD1-CD1 4.3Å; L214-F243 HydrophobicContact CD2-CD1 3.83Å; L214-F243 HydrophobicContact CD2-CE1 4.15Å; L214-F243 HydrophobicContact CG-CD1 3.79Å; F243-V245 HydrophobicContact CD2-CG2 3.78Å; F243-V245 HydrophobicContact CE2-CG2 4.11Å; F243-W261 CarbonylContact C-O 3.58Å; F243-W261 WeakPolarHBondContact CA-O 3.4Å; F243-W261 WeakPolarHBondContact CB-O 3.47Å; F243-V262 HydrophobicContact CB-CG2 4.01Å; F243-V284 HydrophobicContact CB-CG1 3.77Å; F243-V284 HydrophobicContact CD1-CG1 3.92Å; F243-V284 HydrophobicContact CD2-CG1 3.74Å; F243-V284 HydrophobicContact CE1-CG1 4.4Å; F243-V284 HydrophobicContact CE2-CG1 4.26Å; F243-V284 HydrophobicContact CG-CG1 3.54Å; F243-F292 HydrophobicContact CD2-CZ 4.47Å; F243-F292 HydrophobicContact CE1-CZ 4.49Å; F243-F292 AromaticContact CE2-CE1 3.94Å; F243-F292 HydrophobicContact CE2-CE1 3.94Å; F243-F292 HydrophobicContact CE2-CE2 4.38Å; F243-F292 AromaticContact CE2-CZ 3.61Å; F243-F292 HydrophobicContact CE2-CZ 3.61Å; F243-F292 HydrophobicContact CZ-CE1 4.02Å; F243-F292 AromaticContact CZ-CZ 3.61Å; F243-F292 HydrophobicContact CZ-CZ 3.61Å |
| 244 | K | 98.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 130 | 158.4 | -69.7 | -172.1 | 178 | -76.6 | 0 | 108.5 | W190 L193 I197 V209 I210 T211 A260 W261 | W190-K244 HydrophobicContact CH2-CD 4.16Å; W190-K244 HydrophobicContact CH2-CG 3.7Å; W190-K244 HydrophobicContact CZ2-CD 4.32Å; W190-K244 VanDerWaalsContact CZ2-CE 3.42Å; W190-K244 HydrophobicContact CZ2-CG 4.2Å; W190-K244 HydrophobicContact CZ3-CG 4.42Å; L193-K244 HydrophobicContact CD2-CD 4.04Å; L193-K244 HydrophobicContact CD2-CG 4.33Å; L193-K244 HydrophobicContact CG-CD 4.27Å; I197-K244 HydrophobicContact CD1-CB 4.03Å; I197-K244 HydrophobicContact CD1-CD 3.29Å; I197-K244 HydrophobicContact CD1-CG 4.27Å; V209-K244 HydrophobicContact CG1-CB 4.35Å; V209-K244 HydrophobicContact CG1-CD 4.4Å; V209-K244 HydrophobicContact CG1-CG 4.5Å; I210-K244 CarbonylContact O-C 3.59Å; I210-K244 WeakPolarHBondContact O-CA 3.29Å; T211-K244 HydrophobicContact CG2-CG 3.95Å; T211-K244 PolarHBondContact OG1-NZ 3.43Å; K244-A260 CarbonylContact O-C 3.53Å; K244-A260 VanDerWaalsContact O-CA 3.27Å; K244-A260 WeakPolarHBondContact O-CA 3.5Å; K244-W261 HydrophobicContact CB-CE3 4.24Å; K244-W261 PolarHBondContact N-O 3.29Å; K244-W261 PolarHBondContact O-N 3.29Å |
| 245 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 122.6 | 169.5 | -168.7 | 0 | 0 | 0 | 0 | 107.7 | V209 I210 F243 V259 A260 V281 V284 F292 F293 | V209-V245 WeakPolarHBondContact CA-O 3.39Å; I210-V245 PolarHBondContact N-O 2.96Å; I210-V245 PolarHBondContact O-N 3.25Å; F243-V245 HydrophobicContact CD2-CG2 3.78Å; F243-V245 HydrophobicContact CE2-CG2 4.11Å; V245-V259 CarbonylContact C-O 3.55Å; V245-V259 WeakPolarHBondContact CA-O 3.46Å; V245-A260 HydrophobicContact CB-CB 4.48Å; V245-A260 HydrophobicContact CG1-CB 4.29Å; V245-A260 HydrophobicContact CG2-CB 4Å; V245-V281 HydrophobicContact CG1-CG1 3.92Å; V245-V281 HydrophobicContact CG1-CG2 4.16Å; V245-V284 HydrophobicContact CG2-CB 4.35Å; V245-V284 HydrophobicContact CG2-CG1 4.1Å; V245-F292 HydrophobicContact CB-CD2 4.44Å; V245-F292 HydrophobicContact CB-CG 4.43Å; V245-F292 HydrophobicContact CG1-CB 4.25Å; V245-F292 HydrophobicContact CG1-CD2 4.42Å; V245-F292 HydrophobicContact CG1-CG 4.42Å; V245-F292 HydrophobicContact CG2-CD2 3.78Å; V245-F292 HydrophobicContact CG2-CE2 3.89Å; V245-F292 HydrophobicContact CG2-CG 4.22Å; V245-F292 HydrophobicContact CG2-CZ 4.39Å; V245-F293 HydrophobicContact CB-CE2 4.39Å; V245-F293 HydrophobicContact CG1-CD2 4.42Å; V245-F293 HydrophobicContact CG1-CE2 3.82Å |
| 246 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.4 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | M207 V208 V209 I248 K258 V259 W261 | M207-A246 HydrophobicContact CG-CB 4.32Å; M207-A246 HydrophobicContact SD-CB 4.42Å; V208-A246 CarbonylContact O-C 3.35Å; V208-A246 VanDerWaalsContact O-CA 3.29Å; V208-A246 WeakPolarHBondContact O-CA 3.27Å; V209-A246 HydrophobicContact CG2-CB 4.29Å; A246-I248 HydrophobicContact CB-CD1 4.43Å; A246-I248 HydrophobicContact CB-CG1 4.18Å; A246-K258 CarbonylContact O-C 3.53Å; A246-K258 VanDerWaalsContact O-CA 3.27Å; A246-K258 WeakPolarHBondContact O-CA 3.31Å; A246-V259 HydrophobicContact CB-CG1 4.06Å; A246-V259 PolarHBondContact N-O 3.32Å; A246-V259 PolarHBondContact O-N 2.88Å; A246-W261 HydrophobicContact CB-CZ3 4.08Å |
| 247 | A | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.1 | 160 | 0 | 0 | 0 | 0 | 0 | 108.2 | M207 V208 W256 H257 F293 L296 | M207-A247 CarbonylContact C-O 3.6Å; M207-A247 WeakPolarHBondContact CA-O 3.33Å; V208-A247 PolarHBondContact N-O 3.4Å; V208-A247 PolarHBondContact O-N 3.46Å; A247-W256 HydrophobicContact CB-CE3 3.78Å; A247-W256 HydrophobicContact CB-CZ3 4.11Å; A247-W256 WeakPolarHBondContact O-CZ3 3.38Å; A247-H257 CarbonylContact C-O 3.58Å; A247-H257 WeakPolarHBondContact CA-O 3.21Å; A247-F293 HydrophobicContact CB-CD1 3.87Å; A247-F293 HydrophobicContact CB-CD2 3.84Å; A247-F293 HydrophobicContact CB-CE1 3.76Å; A247-F293 HydrophobicContact CB-CE2 3.71Å; A247-F293 HydrophobicContact CB-CG 3.9Å; A247-F293 HydrophobicContact CB-CZ 3.67Å; A247-L296 HydrophobicContact CB-CD1 3.88Å |
| 248 | I | 98.4 | Very high | 97.4 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.8 | -170.9 | -52.1 | 174.1 | 0 | 0 | 0 | 109 | V200 M207 A246 W256 H257 V259 | V200-I248 HydrophobicContact CG1-CD1 4.13Å; M207-I248 HydrophobicContact CE-CD1 3.8Å; M207-I248 HydrophobicContact CE-CG1 3.84Å; M207-I248 HydrophobicContact CE-CG2 4.46Å; M207-I248 HydrophobicContact CG-CG1 4.21Å; A246-I248 HydrophobicContact CB-CD1 4.43Å; A246-I248 HydrophobicContact CB-CG1 4.18Å; I248-W256 VanDerWaalsContact O-CA 3.31Å; I248-W256 WeakPolarHBondContact O-CA 3.44Å; I248-H257 PolarHBondContact N-O 3.24Å; I248-H257 PolarHBondContact O-N 3.34Å; I248-H257 PolarHBondContact O-ND1 3.02Å; I248-V259 HydrophobicContact CD1-CG1 3.78Å |
| 249 | Q | 97.9 | Very high | 97.4 | Very high | 17 Ų | 17 | 49.2 Ų | 49.2 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 110.3 | 171.1 | -171 | -174.3 | 40.5 | 0 | 0 | 108.4 | H205 N206 K251 G254 W256 | H205-Q249 WeakPolarHBondContact CA-O 3.43Å; H205-Q249 WeakPolarHBondContact CB-O 3.49Å; H205-Q249 PolarHBondContact N-O 3.41Å; N206-Q249 HydrophobicContact CB-CB 4.18Å; N206-Q249 PolarHBondContact N-O 3.06Å; N206-Q249 PolarHBondContact ND2-OE1 2.8Å; N206-Q249 PolarHBondContact O-N 2.91Å; Q249-K251 WeakPolarHBondContact CG-O 3.26Å; Q249-G254 PolarHBondContact NE2-O 3.12Å; Q249-W256 HydrophobicContact CB-CD2 3.74Å; Q249-W256 HydrophobicContact CB-CE3 3.87Å; Q249-W256 HydrophobicContact CB-CG 4.34Å; Q249-W256 HydrophobicContact CB-CH2 4.01Å; Q249-W256 HydrophobicContact CB-CZ2 3.85Å; Q249-W256 HydrophobicContact CB-CZ3 4.01Å; Q249-W256 HydrophobicContact CG-CD2 4.43Å; Q249-W256 HydrophobicContact CG-CZ2 4.44Å |
| 250 | D | 97.6 | Very high | 97.4 | Very high | 88 Ų | 88 | 49.1 Ų | 49.1 | 47% | 0.471 | 25% | 0.248 | S | C | . | . | trans | -75.2 | -35.4 | -173 | -63.2 | -49.8 | 0 | 0 | 0 | 113.1 | H205 H257 | H205-D250 PolarHBondContact N-O 3.19Å; D250-H257 IonicContact OD1-CE1 2.85Å; D250-H257 IonicContact OD2-CE1 2.72Å; D250-H257 PolarHBondContact OD2-CE1 2.87Å; D250-H257 IonicContact OD2-ND1 2.74Å | ||
| 251 | K | 96.4 | Very high | 97.4 | Very high | 154 Ų | 154 | 48.5 Ų | 48.5 | 67% | 0.67 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -123.5 | 151.9 | -175.4 | -62.4 | -179.7 | -175.7 | 176.1 | 0 | 111.2 | Q249 N253 G254 | Q249-K251 WeakPolarHBondContact CG-O 3.26Å; K251-N253 PolarHBondContact O-N 2.83Å; K251-G254 PolarHBondContact O-N 3.32Å |
| 252 | P | 95.2 | Very high | 97.4 | Very high | 85 Ų | 85 | 47.9 Ų | 47.9 | 55% | 0.552 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 130.3 | 169.4 | -22.8 | 32.7 | 0 | 0 | 0 | 110.7 | G254 | P252-G254 PolarHBondContact O-N 3.44Š|
| 253 | N | 92.7 | Very high | 97.4 | Very high | 163 Ų | 163 | 47.9 Ų | 47.9 | 87% | 0.872 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 15.1 | -176.7 | -51.2 | -39.8 | 0 | 0 | 0 | 115.2 | K251 | K251-N253 PolarHBondContact O-N 2.83Š|
| 254 | G | 94.2 | Very high | 97.3 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -77.7 | 170.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q249 K251 P252 | Q249-G254 PolarHBondContact NE2-O 3.12Å; K251-G254 PolarHBondContact O-N 3.32Å; P252-G254 PolarHBondContact O-N 3.44Å |
| 255 | E | 95.8 | Very high | 97.3 | Very high | 181 Ų | 181 | 49.2 Ų | 49.2 | 85% | 0.846 | 25% | 0.25 | S | C | * | . | P | Polyproline II helix | trans | -66.2 | 151.9 | 173.6 | -64.2 | -173.2 | 154 | 0 | 0 | 111.8 | ||
| 256 | W | 97.3 | Very high | 97.3 | Very high | 92 Ų | 92 | 53.7 Ų | 53.7 | 35% | 0.348 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 139.1 | 173.3 | -69.6 | 79.9 | 0 | 0 | 0 | 109.6 | N206 V208 A247 I248 Q249 L296 | N206-W256 HydrophobicContact CB-CH2 3.55Å; N206-W256 HydrophobicContact CB-CZ2 4.16Å; N206-W256 HydrophobicContact CB-CZ3 4.26Å; V208-W256 HydrophobicContact CG2-CH2 4.2Å; V208-W256 HydrophobicContact CG2-CZ3 4.24Å; A247-W256 HydrophobicContact CB-CE3 3.78Å; A247-W256 HydrophobicContact CB-CZ3 4.11Å; A247-W256 WeakPolarHBondContact O-CZ3 3.38Å; I248-W256 VanDerWaalsContact O-CA 3.31Å; I248-W256 WeakPolarHBondContact O-CA 3.44Å; Q249-W256 HydrophobicContact CB-CD2 3.74Å; Q249-W256 HydrophobicContact CB-CE3 3.87Å; Q249-W256 HydrophobicContact CB-CG 4.34Å; Q249-W256 HydrophobicContact CB-CH2 4.01Å; Q249-W256 HydrophobicContact CB-CZ2 3.85Å; Q249-W256 HydrophobicContact CB-CZ3 4.01Å; Q249-W256 HydrophobicContact CG-CD2 4.43Å; Q249-W256 HydrophobicContact CG-CZ2 4.44Å; W256-L296 HydrophobicContact CB-CD1 3.87Å; W256-L296 HydrophobicContact CB-CD2 3.68Å; W256-L296 HydrophobicContact CB-CG 4.41Å; W256-L296 HydrophobicContact CD2-CD2 4.39Å; W256-L296 HydrophobicContact CG-CD1 4.44Å; W256-L296 HydrophobicContact CG-CD2 3.73Å |
| 257 | H | 96.5 | Very high | 97.3 | Very high | 83 Ų | 83 | 61.9 Ų | 61.9 | 38% | 0.384 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 157.3 | 168.3 | 63.4 | -88 | 0 | 0 | 0 | 110.5 | A247 I248 D250 | A247-H257 CarbonylContact C-O 3.58Å; A247-H257 WeakPolarHBondContact CA-O 3.21Å; I248-H257 PolarHBondContact N-O 3.24Å; I248-H257 PolarHBondContact O-N 3.34Å; I248-H257 PolarHBondContact O-ND1 3.02Å; D250-H257 IonicContact OD1-CE1 2.85Å; D250-H257 IonicContact OD2-CE1 2.72Å; D250-H257 PolarHBondContact OD2-CE1 2.87Å; D250-H257 IonicContact OD2-ND1 2.74Å |
| 258 | K | 96.9 | Very high | 97.2 | Very high | 62 Ų | 62 | 62.5 Ų | 62.5 | 27% | 0.27 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 148.1 | -177.3 | -58.8 | -178.3 | -63.4 | 179.4 | 0 | 111.5 | A246 V281 F293 L296 | A246-K258 CarbonylContact O-C 3.53Å; A246-K258 VanDerWaalsContact O-CA 3.27Å; A246-K258 WeakPolarHBondContact O-CA 3.31Å; K258-V281 HydrophobicContact CB-CG2 3.78Å; K258-V281 HydrophobicContact CD-CG1 4.48Å; K258-F293 HydrophobicContact CD-CB 4.37Å; K258-F293 HydrophobicContact CD-CD2 3.94Å; K258-F293 HydrophobicContact CG-CD2 4.28Å; K258-L296 HydrophobicContact CD-CD1 4.35Å; K258-L296 HydrophobicContact CG-CD1 4.11Å |
| 259 | V | 97.7 | Very high | 96.9 | Very high | 26 Ų | 26 | 66.7 Ų | 66.7 | 16% | 0.158 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 142.3 | 171.4 | 53.7 | 0 | 0 | 0 | 0 | 109.3 | V245 A246 I248 W261 K278 | V245-V259 CarbonylContact C-O 3.55Å; V245-V259 WeakPolarHBondContact CA-O 3.46Å; A246-V259 HydrophobicContact CB-CG1 4.06Å; A246-V259 PolarHBondContact N-O 3.32Å; A246-V259 PolarHBondContact O-N 2.88Å; I248-V259 HydrophobicContact CD1-CG1 3.78Å; V259-W261 HydrophobicContact CB-CH2 4.06Å; V259-W261 HydrophobicContact CB-CZ2 4.49Å; V259-W261 HydrophobicContact CB-CZ3 4.35Å; V259-W261 HydrophobicContact CG1-CH2 3.28Å; V259-W261 HydrophobicContact CG1-CZ2 4.1Å; V259-W261 HydrophobicContact CG1-CZ3 3.63Å; V259-W261 HydrophobicContact CG2-CD2 4.43Å; V259-W261 HydrophobicContact CG2-CE3 4.4Å; V259-W261 HydrophobicContact CG2-CH2 3.59Å; V259-W261 HydrophobicContact CG2-CZ2 3.57Å; V259-W261 HydrophobicContact CG2-CZ3 4.02Å; V259-K278 HydrophobicContact CG2-CD 4.27Å; V259-K278 HydrophobicContact CG2-CG 4.26Å |
| 260 | A | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 148.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K244 V245 K278 V279 V281 V284 | K244-A260 CarbonylContact O-C 3.53Å; K244-A260 VanDerWaalsContact O-CA 3.27Å; K244-A260 WeakPolarHBondContact O-CA 3.5Å; V245-A260 HydrophobicContact CB-CB 4.48Å; V245-A260 HydrophobicContact CG1-CB 4.29Å; V245-A260 HydrophobicContact CG2-CB 4Å; A260-K278 VanDerWaalsContact O-CA 3.28Å; A260-K278 WeakPolarHBondContact O-CA 3.33Å; A260-V279 HydrophobicContact CB-CG2 3.96Å; A260-V279 PolarHBondContact O-N 3.5Å; A260-V281 HydrophobicContact CB-CG2 4.08Å; A260-V284 HydrophobicContact CB-CG2 3.86Å |
| 261 | W | 98.7 | Very high | 95.7 | Very high | 7 Ų | 7 | 77 Ų | 77 | 3% | 0.027 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142.9 | 171.2 | -61.6 | -95.3 | 0 | 0 | 0 | 110 | L193 Y196 I197 F243 K244 A246 V259 V274 F277 K278 | L193-W261 HydrophobicContact CD1-CB 4.26Å; L193-W261 HydrophobicContact CD1-CD2 3.79Å; L193-W261 HydrophobicContact CD1-CE3 4.39Å; L193-W261 HydrophobicContact CD1-CG 3.7Å; L193-W261 HydrophobicContact CD2-CB 3.91Å; L193-W261 HydrophobicContact CD2-CG 4.26Å; Y196-W261 HydrophobicContact CD1-CZ2 4.28Å; Y196-W261 HydrophobicContact CE1-CH2 4.43Å; Y196-W261 AromaticContact CE1-CZ2 3.74Å; Y196-W261 HydrophobicContact CE1-CZ2 3.74Å; I197-W261 HydrophobicContact CD1-CE3 4.18Å; I197-W261 HydrophobicContact CD1-CZ3 4.02Å; I197-W261 HydrophobicContact CG1-CH2 4.23Å; I197-W261 HydrophobicContact CG1-CZ3 4.17Å; F243-W261 CarbonylContact C-O 3.58Å; F243-W261 WeakPolarHBondContact CA-O 3.4Å; F243-W261 WeakPolarHBondContact CB-O 3.47Å; K244-W261 HydrophobicContact CB-CE3 4.24Å; K244-W261 PolarHBondContact N-O 3.29Å; K244-W261 PolarHBondContact O-N 3.29Å; A246-W261 HydrophobicContact CB-CZ3 4.08Å; V259-W261 HydrophobicContact CB-CH2 4.06Å; V259-W261 HydrophobicContact CB-CZ2 4.49Å; V259-W261 HydrophobicContact CB-CZ3 4.35Å; V259-W261 HydrophobicContact CG1-CH2 3.28Å; V259-W261 HydrophobicContact CG1-CZ2 4.1Å; V259-W261 HydrophobicContact CG1-CZ3 3.63Å; V259-W261 HydrophobicContact CG2-CD2 4.43Å; V259-W261 HydrophobicContact CG2-CE3 4.4Å; V259-W261 HydrophobicContact CG2-CH2 3.59Å; V259-W261 HydrophobicContact CG2-CZ2 3.57Å; V259-W261 HydrophobicContact CG2-CZ3 4.02Å; W261-V274 VanDerWaalsContact CD1-O 3.24Å; W261-V274 PolarHBondContact NE1-O 3.26Å; W261-F277 CarbonylContact C-O 3.41Å; W261-F277 VanDerWaalsContact CA-O 3.22Å; W261-F277 WeakPolarHBondContact CA-O 3.31Å; W261-K278 HydrophobicContact CG-CG 4.46Å; W261-K278 VanDerWaalsContact NE1-CG 3.31Å |
| 262 | V | 98.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 71.4 Ų | 71.4 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 125.4 | 170.3 | 173.2 | 0 | 0 | 0 | 0 | 108.8 | L214 H241 F242 F243 F277 V279 V284 | L214-V262 HydrophobicContact CD1-CG1 4.02Å; L214-V262 HydrophobicContact CD1-CG2 3.95Å; H241-V262 HydrophobicContact CB-CG1 4.03Å; F242-V262 CarbonylContact O-C 3.58Å; F242-V262 WeakPolarHBondContact O-CA 3.38Å; F243-V262 HydrophobicContact CB-CG2 4.01Å; V262-F277 PolarHBondContact N-O 3.28Å; V262-F277 WeakPolarHBondContact O-CD1 3.45Å; V262-V279 HydrophobicContact CB-CG1 4.27Å; V262-V279 HydrophobicContact CB-CG2 4.32Å; V262-V279 HydrophobicContact CG2-CG1 4.43Å; V262-V279 HydrophobicContact CG2-CG2 3.68Å; V262-V284 HydrophobicContact CG2-CG2 3.75Å |
| 263 | M | 98.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133 | 178.3 | -60.1 | -176.1 | 63 | 0 | 0 | 110.8 | F185 W190 L193 H241 F242 L268 I272 F277 | F185-M263 HydrophobicContact CE2-CB 3.73Å; F185-M263 HydrophobicContact CE2-CE 4.24Å; F185-M263 HydrophobicContact CZ-CB 4.22Å; W190-M263 HydrophobicContact CE3-SD 3.9Å; W190-M263 HydrophobicContact CZ3-SD 4.38Å; L193-M263 HydrophobicContact CB-SD 4.03Å; L193-M263 HydrophobicContact CD2-CG 4.41Å; L193-M263 HydrophobicContact CD2-SD 3.74Å; H241-M263 CarbonylContact C-O 3.59Å; H241-M263 WeakPolarHBondContact CA-O 3.31Å; H241-M263 WeakPolarHBondContact CB-O 3.31Å; F242-M263 PolarHBondContact N-O 3.42Å; F242-M263 PolarHBondContact O-N 2.9Å; M263-L268 HydrophobicContact CE-CD1 3.25Å; M263-I272 HydrophobicContact CE-CD1 3.7Å; M263-F277 HydrophobicContact CB-CD1 4.33Å; M263-F277 HydrophobicContact CE-CD2 4.26Å; M263-F277 HydrophobicContact CE-CE2 4.02Å; M263-F277 HydrophobicContact CE-CZ 4.23Å; M263-F277 HydrophobicContact CG-CB 3.99Å; M263-F277 HydrophobicContact CG-CD1 3.86Å; M263-F277 HydrophobicContact CG-CD2 4.18Å; M263-F277 HydrophobicContact CG-CE1 4.39Å; M263-F277 HydrophobicContact CG-CG 3.74Å; M263-F277 HydrophobicContact SD-CD2 4.47Å |
| 264 | P | 98.2 | Very high | 95.5 | Very high | 21 Ų | 21 | 69 Ų | 69 | 14% | 0.136 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 135.6 | 175.2 | 29.8 | -33.2 | 0 | 0 | 0 | 110.6 | F185 H241 I266 L268 | F185-P264 VanDerWaalsContact CD2-O 3.24Å; F185-P264 WeakPolarHBondContact CD2-O 3.48Å; F185-P264 WeakPolarHBondContact CE2-O 3.29Å; H241-P264 WeakPolarHBondContact CD2-CA 3.37Å; P264-I266 HydrophobicContact CB-CD1 4.1Å; P264-I266 HydrophobicContact CB-CG1 3.97Å; P264-I266 HydrophobicContact CG-CD1 3.99Å; P264-I266 HydrophobicContact CG-CG1 3.95Å; P264-I266 PolarHBondContact O-N 3.42Å; P264-L268 HydrophobicContact CG-CD2 4.05Å |
| 265 | N | 98.7 | Very high | 95.6 | Very high | 11 Ų | 11 | 71.8 Ų | 71.8 | 6% | 0.059 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -77.2 | 63.2 | 179.4 | -170.7 | 23.9 | 0 | 0 | 0 | 110.9 | P179 Q180 V181 F185 P239 T240 F242 | P179-N265 PolarHBondContact O-ND2 2.83Å; Q180-N265 WeakPolarHBondContact CA-OD1 3.37Å; V181-N265 VanDerWaalsContact CG2-O 3.28Å; V181-N265 WeakPolarHBondContact CG2-O 3.45Å; V181-N265 PolarHBondContact N-OD1 2.97Å; F185-N265 WeakPolarHBondContact CD1-OD1 3.45Å; P239-N265 WeakPolarHBondContact O-CB 3.29Å; P239-N265 PolarHBondContact O-ND2 3Å; T240-N265 WeakPolarHBondContact O-CB 3.33Å; T240-N265 PolarHBondContact O-N 3.12Å; F242-N265 HydrophobicContact CD2-CB 4.11Å; F242-N265 HydrophobicContact CE2-CB 3.98Å |
| 266 | I | 98.2 | Very high | 95.6 | Very high | 94 Ų | 94 | 66.4 Ų | 66.4 | 48% | 0.482 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -135.4 | 164.1 | -178.4 | 65.5 | 176.7 | 0 | 0 | 0 | 109.1 | F185 P264 L268 | F185-I266 WeakPolarHBondContact CB-O 3.32Å; P264-I266 HydrophobicContact CB-CD1 4.1Å; P264-I266 HydrophobicContact CB-CG1 3.97Å; P264-I266 HydrophobicContact CG-CD1 3.99Å; P264-I266 HydrophobicContact CG-CG1 3.95Å; P264-I266 PolarHBondContact O-N 3.42Å; I266-L268 HydrophobicContact CG1-CD2 4.08Å; I266-L268 PolarHBondContact O-N 3.05Å; I266-L268 VanDerWaalsContact O-N 3.08Å |
| 267 | R | 98 | Very high | 95.6 | Very high | 171 Ų | 171 | 63.3 Ų | 63.3 | 65% | 0.645 | 32% | 0.322 | S | S | * | . | trans | -62.4 | 114.2 | 170 | -179.6 | 176.8 | 177.1 | 154.9 | -4 | 109.5 | V181 Y183 | V181-R267 HydrophobicContact CG1-CB 4.44Å; Y183-R267 VanDerWaalsContact CE1-CZ 3.49Å | ||
| 268 | L | 96.7 | Very high | 95.7 | Very high | 15 Ų | 15 | 63.7 Ų | 63.7 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | trans | -88.5 | 162 | 175.4 | -60.5 | 172.6 | 0 | 0 | 0 | 111.1 | G184 F185 M263 P264 I266 I272 F277 | G184-L268 WeakPolarHBondContact O-CB 3.12Å; G184-L268 PolarHBondContact O-N 3.26Å; F185-L268 HydrophobicContact CD2-CD1 3.86Å; F185-L268 HydrophobicContact CD2-CG 4.24Å; F185-L268 HydrophobicContact CE2-CD1 4.35Å; M263-L268 HydrophobicContact CE-CD1 3.25Å; P264-L268 HydrophobicContact CG-CD2 4.05Å; I266-L268 HydrophobicContact CG1-CD2 4.08Å; I266-L268 PolarHBondContact O-N 3.05Å; I266-L268 VanDerWaalsContact O-N 3.08Å; L268-I272 HydrophobicContact CB-CG2 4.1Å; L268-I272 HydrophobicContact CD1-CD1 4.5Å; L268-I272 HydrophobicContact CD1-CG2 4.49Å; L268-F277 HydrophobicContact CD1-CZ 4.02Å; L268-F277 HydrophobicContact CD2-CZ 4.2Å | ||
| 269 | P | 93.2 | Very high | 95.8 | Very high | 93 Ų | 93 | 61.7 Ų | 61.7 | 60% | 0.604 | 32% | 0.315 | S | S | * | . | trans | -54.8 | 152.6 | 166.8 | -23.7 | 34.6 | 0 | 0 | 0 | 111.7 | Q271 I272 | P269-Q271 VanDerWaalsContact C-N 3.28Å; P269-Q271 PolarHBondContact O-N 2.93Å; P269-I272 WeakPolarHBondContact O-CG2 3.2Å | ||
| 270 | E | 83.4 | Confident | 95.7 | Very high | 151 Ų | 151 | 63.5 Ų | 63.5 | 71% | 0.706 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -61.2 | -37.5 | -176.7 | -174.1 | 171.4 | -167 | 0 | 0 | 112.7 | ||
| 271 | Q | 86.4 | Confident | 95.7 | Very high | 170 Ų | 170 | 64 Ų | 64 | 79% | 0.794 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -105 | 115.6 | 175.3 | -64.6 | -67.6 | -10.6 | 0 | 0 | 109.5 | P269 | P269-Q271 VanDerWaalsContact C-N 3.28Å; P269-Q271 PolarHBondContact O-N 2.93Å |
| 272 | I | 91.4 | Very high | 95.5 | Very high | 36 Ų | 36 | 65.8 Ų | 65.8 | 19% | 0.185 | 34% | 0.34 | C | S | . | . | trans | -120.6 | 151.1 | 173.2 | 63 | 154.3 | 0 | 0 | 0 | 111.1 | G189 M263 L268 P269 F277 | G189-I272 VanDerWaalsContact CA-CD1 3.48Å; M263-I272 HydrophobicContact CE-CD1 3.7Å; L268-I272 HydrophobicContact CB-CG2 4.1Å; L268-I272 HydrophobicContact CD1-CD1 4.5Å; L268-I272 HydrophobicContact CD1-CG2 4.49Å; P269-I272 WeakPolarHBondContact O-CG2 3.2Å; I272-F277 HydrophobicContact CB-CE2 4.06Å; I272-F277 HydrophobicContact CD1-CD2 4.35Å; I272-F277 HydrophobicContact CD1-CE2 3.7Å; I272-F277 HydrophobicContact CG1-CE2 4.49Å; I272-F277 HydrophobicContact CG2-CE2 4.34Å | ||
| 273 | K | 94.7 | Very high | 95.4 | Very high | 179 Ų | 179 | 66 Ų | 66 | 78% | 0.778 | 34% | 0.341 | S | S | * | . | trans | -100.9 | 115.1 | 165.4 | -67.2 | -177 | 179.6 | -179.6 | 0 | 108.5 | D275 G276 | K273-D275 PolarHBondContact O-N 2.99Å; K273-G276 PolarHBondContact O-N 3.28Å | ||
| 274 | V | 94.4 | Very high | 95.4 | Very high | 18 Ų | 18 | 66 Ų | 66 | 11% | 0.109 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -57.8 | -31.7 | -179.8 | -62.8 | 0 | 0 | 0 | 0 | 112.6 | L193 Y196 W261 G276 F277 | L193-V274 HydrophobicContact CB-CG1 4.25Å; L193-V274 HydrophobicContact CD1-CB 4.23Å; L193-V274 HydrophobicContact CD1-CG1 4.43Å; Y196-V274 HydrophobicContact CD1-CG2 3.99Å; Y196-V274 HydrophobicContact CD2-CG2 3.64Å; Y196-V274 HydrophobicContact CE1-CG2 4.36Å; Y196-V274 HydrophobicContact CE2-CG2 4.01Å; Y196-V274 HydrophobicContact CG-CG2 3.62Å; W261-V274 VanDerWaalsContact CD1-O 3.24Å; W261-V274 PolarHBondContact NE1-O 3.26Å; V274-G276 PolarHBondContact O-N 3.09Å; V274-F277 PolarHBondContact O-N 3.08Å; V274-F277 VanDerWaalsContact O-N 3.09Å |
| 275 | D | 94.7 | Very high | 95.4 | Very high | 86 Ų | 86 | 65.7 Ų | 65.7 | 46% | 0.46 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -62 | -28 | 175.2 | -72.1 | -35.7 | 0 | 0 | 0 | 113.1 | K273 F277 K278 | K273-D275 PolarHBondContact O-N 2.99Å; D275-F277 PolarHBondContact O-N 3.16Å; D275-K278 WeakPolarHBondContact O-CB 3.33Å; D275-K278 PolarHBondContact O-N 3.03Å; D275-K278 VanDerWaalsContact O-N 3.17Å; D275-K278 WeakPolarHBondContact OD1-CE 3.48Å; D275-K278 IonicContact OD1-NZ 3.5Å; D275-K278 PolarHBondContact OD1-NZ 3.17Å |
| 276 | G | 96.2 | Very high | 95.2 | Very high | 68 Ų | 68 | 69 Ų | 69 | 70% | 0.701 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -68.9 | -11 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | K273 V274 | K273-G276 PolarHBondContact O-N 3.28Å; V274-G276 PolarHBondContact O-N 3.09Å |
| 277 | F | 98 | Very high | 95.2 | Very high | 28 Ų | 28 | 66.7 Ų | 66.7 | 12% | 0.123 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -102.4 | 3.9 | 175.5 | -63.9 | -75.7 | 0 | 0 | 0 | 113 | W261 V262 M263 L268 I272 V274 D275 | W261-F277 CarbonylContact C-O 3.41Å; W261-F277 VanDerWaalsContact CA-O 3.22Å; W261-F277 WeakPolarHBondContact CA-O 3.31Å; V262-F277 PolarHBondContact N-O 3.28Å; V262-F277 WeakPolarHBondContact O-CD1 3.45Å; M263-F277 HydrophobicContact CB-CD1 4.33Å; M263-F277 HydrophobicContact CE-CD2 4.26Å; M263-F277 HydrophobicContact CE-CE2 4.02Å; M263-F277 HydrophobicContact CE-CZ 4.23Å; M263-F277 HydrophobicContact CG-CB 3.99Å; M263-F277 HydrophobicContact CG-CD1 3.86Å; M263-F277 HydrophobicContact CG-CD2 4.18Å; M263-F277 HydrophobicContact CG-CE1 4.39Å; M263-F277 HydrophobicContact CG-CG 3.74Å; M263-F277 HydrophobicContact SD-CD2 4.47Å; L268-F277 HydrophobicContact CD1-CZ 4.02Å; L268-F277 HydrophobicContact CD2-CZ 4.2Å; I272-F277 HydrophobicContact CB-CE2 4.06Å; I272-F277 HydrophobicContact CD1-CD2 4.35Å; I272-F277 HydrophobicContact CD1-CE2 3.7Å; I272-F277 HydrophobicContact CG1-CE2 4.49Å; I272-F277 HydrophobicContact CG2-CE2 4.34Å; V274-F277 PolarHBondContact O-N 3.08Å; V274-F277 VanDerWaalsContact O-N 3.09Å; D275-F277 PolarHBondContact O-N 3.16Å |
| 278 | K | 98.4 | Very high | 95.1 | Very high | 90 Ų | 90 | 59.9 Ų | 59.9 | 39% | 0.391 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 138.7 | 176.3 | -77.1 | 177 | 171.3 | 165.6 | 0 | 110.8 | V259 A260 W261 D275 | V259-K278 HydrophobicContact CG2-CD 4.27Å; V259-K278 HydrophobicContact CG2-CG 4.26Å; A260-K278 VanDerWaalsContact O-CA 3.28Å; A260-K278 WeakPolarHBondContact O-CA 3.33Å; W261-K278 HydrophobicContact CG-CG 4.46Å; W261-K278 VanDerWaalsContact NE1-CG 3.31Å; D275-K278 WeakPolarHBondContact O-CB 3.33Å; D275-K278 PolarHBondContact O-N 3.03Å; D275-K278 VanDerWaalsContact O-N 3.17Å; D275-K278 WeakPolarHBondContact OD1-CE 3.48Å; D275-K278 IonicContact OD1-NZ 3.5Å; D275-K278 PolarHBondContact OD1-NZ 3.17Å |
| 279 | V | 98.1 | Very high | 95 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 12% | 0.121 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 160 | 178.6 | -59.3 | 0 | 0 | 0 | 0 | 110.3 | F44 A260 V262 V284 | F44-V279 HydrophobicContact CD2-CG1 4.32Å; F44-V279 HydrophobicContact CE1-CG1 4.08Å; F44-V279 HydrophobicContact CE2-CB 4.42Å; F44-V279 HydrophobicContact CE2-CG1 3.51Å; F44-V279 HydrophobicContact CZ-CB 4.26Å; F44-V279 HydrophobicContact CZ-CG1 3.37Å; A260-V279 HydrophobicContact CB-CG2 3.96Å; A260-V279 PolarHBondContact O-N 3.5Å; V262-V279 HydrophobicContact CB-CG1 4.27Å; V262-V279 HydrophobicContact CB-CG2 4.32Å; V262-V279 HydrophobicContact CG2-CG1 4.43Å; V262-V279 HydrophobicContact CG2-CG2 3.68Å; V279-V284 HydrophobicContact CG2-CG2 3.57Å |
| 280 | P | 97.5 | Very high | 95.1 | Very high | 65 Ų | 65 | 62 Ų | 62 | 42% | 0.422 | 35% | 0.352 | S | S | . | . | trans | -58.2 | 140.5 | 167.2 | -22.2 | 34 | 0 | 0 | 0 | 111 | E282 S283 | P280-E282 PolarHBondContact O-N 3.42Å; P280-S283 WeakPolarHBondContact O-CB 3.48Å; P280-S283 PolarHBondContact O-N 2.94Å; P280-S283 VanDerWaalsContact O-N 3.12Å | ||
| 281 | V | 97 | Very high | 95.7 | Very high | 9 Ų | 9 | 58.3 Ų | 58.3 | 6% | 0.055 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.7 | -39.6 | 179.5 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | V245 K258 A260 S283 V284 E285 F292 | V245-V281 HydrophobicContact CG1-CG1 3.92Å; V245-V281 HydrophobicContact CG1-CG2 4.16Å; K258-V281 HydrophobicContact CB-CG2 3.78Å; K258-V281 HydrophobicContact CD-CG1 4.48Å; A260-V281 HydrophobicContact CB-CG2 4.08Å; V281-S283 PolarHBondContact O-N 3.41Å; V281-V284 WeakPolarHBondContact O-CA 3.42Å; V281-V284 WeakPolarHBondContact O-CB 3.4Å; V281-V284 PolarHBondContact O-N 3.33Å; V281-E285 HydrophobicContact CG1-CG 4.18Å; V281-E285 WeakPolarHBondContact O-CG 3.42Å; V281-E285 PolarHBondContact O-N 3.29Å; V281-F292 HydrophobicContact CG1-CB 4.39Å; V281-F292 HydrophobicContact CG1-CD2 4.27Å |
| 282 | E | 95.8 | Very high | 96.1 | Very high | 46 Ų | 46 | 50.4 Ų | 50.4 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.2 | -30.4 | -179.2 | -61.8 | 68.2 | -145.8 | 0 | 0 | 111.8 | V48 A50 P280 E285 S286 | V48-E282 HydrophobicContact CG2-CB 4.44Å; A50-E282 HydrophobicContact CB-CG 4.11Å; P280-E282 PolarHBondContact O-N 3.42Å; E282-E285 PolarHBondContact O-N 3.29Å; E282-S286 WeakPolarHBondContact O-CB 3.48Å; E282-S286 PolarHBondContact O-N 3.42Å |
| 283 | S | 96.1 | Very high | 96.3 | Very high | 13 Ų | 13 | 49.9 Ų | 49.9 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.8 | -37.5 | 173.9 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | P280 V281 A287 | P280-S283 WeakPolarHBondContact O-CB 3.48Å; P280-S283 PolarHBondContact O-N 2.94Å; P280-S283 VanDerWaalsContact O-N 3.12Å; V281-S283 PolarHBondContact O-N 3.41Å; S283-A287 VanDerWaalsContact O-CB 3.31Å; S283-A287 WeakPolarHBondContact O-CB 3.47Å; S283-A287 PolarHBondContact O-N 3.15Å; S283-A287 VanDerWaalsContact O-N 3.11Å |
| 284 | V | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72.5 | -40.4 | 174.3 | -167.6 | 0 | 0 | 0 | 0 | 110.5 | F243 V245 A260 V262 V279 V281 S286 A287 S288 F292 | F243-V284 HydrophobicContact CB-CG1 3.77Å; F243-V284 HydrophobicContact CD1-CG1 3.92Å; F243-V284 HydrophobicContact CD2-CG1 3.74Å; F243-V284 HydrophobicContact CE1-CG1 4.4Å; F243-V284 HydrophobicContact CE2-CG1 4.26Å; F243-V284 HydrophobicContact CG-CG1 3.54Å; V245-V284 HydrophobicContact CG2-CB 4.35Å; V245-V284 HydrophobicContact CG2-CG1 4.1Å; A260-V284 HydrophobicContact CB-CG2 3.86Å; V262-V284 HydrophobicContact CG2-CG2 3.75Å; V279-V284 HydrophobicContact CG2-CG2 3.57Å; V281-V284 WeakPolarHBondContact O-CA 3.42Å; V281-V284 WeakPolarHBondContact O-CB 3.4Å; V281-V284 PolarHBondContact O-N 3.33Å; V284-S286 PolarHBondContact O-N 3.48Å; V284-A287 PolarHBondContact O-N 3.19Å; V284-S288 WeakPolarHBondContact O-CB 3.13Å; V284-S288 PolarHBondContact O-N 3.04Å; V284-S288 PolarHBondContact O-OG 2.9Å; V284-F292 HydrophobicContact CB-CE2 4.01Å; V284-F292 HydrophobicContact CG1-CE2 3.66Å; V284-F292 HydrophobicContact CG1-CZ 4.16Å |
| 285 | E | 97.6 | Very high | 96.1 | Very high | 16 Ų | 16 | 54.1 Ų | 54.1 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58 | -49.2 | 174.8 | -66.1 | -175 | 146 | 0 | 0 | 110.8 | V281 E282 A287 S288 G289 W290 K291 F292 | V281-E285 HydrophobicContact CG1-CG 4.18Å; V281-E285 WeakPolarHBondContact O-CG 3.42Å; V281-E285 PolarHBondContact O-N 3.29Å; E282-E285 PolarHBondContact O-N 3.29Å; E285-A287 VanDerWaalsContact C-N 3.32Å; E285-A287 PolarHBondContact O-N 2.95Å; E285-S288 PolarHBondContact O-N 2.78Å; E285-G289 WeakPolarHBondContact O-CA 3.31Å; E285-G289 PolarHBondContact O-N 3.33Å; E285-W290 WeakPolarHBondContact CA-O 3.12Å; E285-W290 WeakPolarHBondContact CB-O 3.45Å; E285-W290 VanDerWaalsContact CG-O 3.22Å; E285-W290 WeakPolarHBondContact CG-O 3.34Å; E285-K291 VanDerWaalsContact OE1-CD 3.31Å; E285-K291 WeakPolarHBondContact OE1-CD 3.44Å; E285-K291 WeakPolarHBondContact OE1-CE 3.4Å; E285-K291 IonicContact OE1-NZ 3.92Å; E285-K291 PolarHBondContact OE1-NZ 2.64Å; E285-K291 IonicContact OE2-NZ 2.96Å; E285-K291 PolarHBondContact OE2-NZ 3.19Å; E285-F292 HydrophobicContact CG-CD2 3.51Å; E285-F292 HydrophobicContact CG-CE2 4.02Å; E285-F292 HydrophobicContact CG-CG 4.38Å; E285-F292 PolarHBondContact OE1-N 2.7Å |
| 286 | S | 96.4 | Very high | 95.8 | Very high | 80 Ų | 80 | 52.3 Ų | 52.3 | 56% | 0.559 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.8 | -38.8 | 177.3 | -174 | 0 | 0 | 0 | 0 | 113.2 | E282 V284 | E282-S286 WeakPolarHBondContact O-CB 3.48Å; E282-S286 PolarHBondContact O-N 3.42Å; V284-S286 PolarHBondContact O-N 3.48Å |
| 287 | A | 96.9 | Very high | 94.7 | Very high | 46 Ų | 46 | 58.9 Ų | 58.9 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -79.7 | -28 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L214 L216 S283 V284 E285 | L214-A287 HydrophobicContact CD1-CB 4.43Å; L214-A287 HydrophobicContact CD2-CB 4.03Å; L216-A287 HydrophobicContact CD2-CB 3.68Å; S283-A287 VanDerWaalsContact O-CB 3.31Å; S283-A287 WeakPolarHBondContact O-CB 3.47Å; S283-A287 PolarHBondContact O-N 3.15Å; S283-A287 VanDerWaalsContact O-N 3.11Å; V284-A287 PolarHBondContact O-N 3.19Å; E285-A287 VanDerWaalsContact C-N 3.32Å; E285-A287 PolarHBondContact O-N 2.95Å |
| 288 | S | 96.2 | Very high | 92.8 | Very high | 28 Ų | 28 | 65.8 Ų | 65.8 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -100.1 | -20.6 | -175.2 | 68 | 0 | 0 | 0 | 0 | 113.9 | V284 E285 W290 F292 | V284-S288 WeakPolarHBondContact O-CB 3.13Å; V284-S288 PolarHBondContact O-N 3.04Å; V284-S288 PolarHBondContact O-OG 2.9Å; E285-S288 PolarHBondContact O-N 2.78Å; S288-W290 VanDerWaalsContact C-N 3.3Å; S288-W290 PolarHBondContact OG-N 2.83Å; S288-F292 WeakPolarHBondContact OG-CZ 3.24Å |
| 289 | G | 95.2 | Very high | 92.6 | Very high | 69 Ų | 69 | 64.6 Ų | 64.6 | 71% | 0.711 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 79.3 | 8.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E285 | E285-G289 WeakPolarHBondContact O-CA 3.31Å; E285-G289 PolarHBondContact O-N 3.33Å |
| 290 | W | 94.9 | Very high | 92.3 | Very high | 83 Ų | 83 | 66.9 Ų | 66.9 | 31% | 0.314 | 38% | 0.381 | S | S | . | . | trans | -104.1 | 147.2 | 179.3 | -58.2 | 111.3 | 0 | 0 | 0 | 111.7 | Y100 W101 E285 S288 F292 | Y100-W290 AromaticContact CD1-CZ2 3.96Å; Y100-W290 HydrophobicContact CD1-CZ2 3.96Å; Y100-W290 HydrophobicContact CD2-CZ2 4.08Å; Y100-W290 AromaticContact CG-CZ2 3.68Å; Y100-W290 HydrophobicContact CG-CZ2 3.68Å; W101-W290 AromaticContact CD1-CD1 3.84Å; W101-W290 AromaticContact CD1-CD2 3.91Å; W101-W290 AromaticContact CD1-CE2 3.66Å; W101-W290 AromaticContact CD1-NE1 3.61Å; W101-W290 AromaticContact NE1-CD2 3.68Å; W101-W290 AromaticContact NE1-CE2 3.68Å; W101-W290 AromaticContact NE1-CE3 3.93Å; W101-W290 AromaticContact NE1-CZ2 3.96Å; E285-W290 WeakPolarHBondContact CA-O 3.12Å; E285-W290 WeakPolarHBondContact CB-O 3.45Å; E285-W290 VanDerWaalsContact CG-O 3.22Å; E285-W290 WeakPolarHBondContact CG-O 3.34Å; S288-W290 VanDerWaalsContact C-N 3.3Å; S288-W290 PolarHBondContact OG-N 2.83Å; W290-F292 HydrophobicContact CB-CD1 4.28Å; W290-F292 HydrophobicContact CB-CE1 3.7Å; W290-F292 HydrophobicContact CB-CE2 4.44Å; W290-F292 HydrophobicContact CB-CZ 3.79Å; W290-F292 HydrophobicContact CG-CE1 4.32Å; W290-F292 HydrophobicContact CG-CZ 4.45Å | ||
| 291 | K | 95.1 | Very high | 92 | Very high | 73 Ų | 73 | 67 Ų | 67 | 32% | 0.317 | 38% | 0.379 | S | S | . | . | trans | -96.6 | 116.7 | 164.3 | -167.7 | 75.4 | -166.5 | 166 | 0 | 108.8 | E285 P294 | E285-K291 VanDerWaalsContact OE1-CD 3.31Å; E285-K291 WeakPolarHBondContact OE1-CD 3.44Å; E285-K291 WeakPolarHBondContact OE1-CE 3.4Å; E285-K291 IonicContact OE1-NZ 3.92Å; E285-K291 PolarHBondContact OE1-NZ 2.64Å; E285-K291 IonicContact OE2-NZ 2.96Å; E285-K291 PolarHBondContact OE2-NZ 3.19Å; K291-P294 HydrophobicContact CG-CB 3.88Å | ||
| 292 | F | 95.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.018 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -91.8 | 129.2 | -177.2 | -59.4 | -62 | 0 | 0 | 0 | 110.7 | I210 F243 V245 V281 V284 E285 S288 W290 | I210-F292 HydrophobicContact CB-CD1 4.42Å; I210-F292 HydrophobicContact CD1-CD1 3.74Å; I210-F292 HydrophobicContact CG2-CD1 4.06Å; I210-F292 HydrophobicContact CG2-CE1 3.83Å; F243-F292 HydrophobicContact CD2-CZ 4.47Å; F243-F292 HydrophobicContact CE1-CZ 4.49Å; F243-F292 AromaticContact CE2-CE1 3.94Å; F243-F292 HydrophobicContact CE2-CE1 3.94Å; F243-F292 HydrophobicContact CE2-CE2 4.38Å; F243-F292 AromaticContact CE2-CZ 3.61Å; F243-F292 HydrophobicContact CE2-CZ 3.61Å; F243-F292 HydrophobicContact CZ-CE1 4.02Å; F243-F292 AromaticContact CZ-CZ 3.61Å; F243-F292 HydrophobicContact CZ-CZ 3.61Å; V245-F292 HydrophobicContact CB-CD2 4.44Å; V245-F292 HydrophobicContact CB-CG 4.43Å; V245-F292 HydrophobicContact CG1-CB 4.25Å; V245-F292 HydrophobicContact CG1-CD2 4.42Å; V245-F292 HydrophobicContact CG1-CG 4.42Å; V245-F292 HydrophobicContact CG2-CD2 3.78Å; V245-F292 HydrophobicContact CG2-CE2 3.89Å; V245-F292 HydrophobicContact CG2-CG 4.22Å; V245-F292 HydrophobicContact CG2-CZ 4.39Å; V281-F292 HydrophobicContact CG1-CB 4.39Å; V281-F292 HydrophobicContact CG1-CD2 4.27Å; V284-F292 HydrophobicContact CB-CE2 4.01Å; V284-F292 HydrophobicContact CG1-CE2 3.66Å; V284-F292 HydrophobicContact CG1-CZ 4.16Å; E285-F292 HydrophobicContact CG-CD2 3.51Å; E285-F292 HydrophobicContact CG-CE2 4.02Å; E285-F292 HydrophobicContact CG-CG 4.38Å; E285-F292 PolarHBondContact OE1-N 2.7Å; S288-F292 WeakPolarHBondContact OG-CZ 3.24Å; W290-F292 HydrophobicContact CB-CD1 4.28Å; W290-F292 HydrophobicContact CB-CE1 3.7Å; W290-F292 HydrophobicContact CB-CE2 4.44Å; W290-F292 HydrophobicContact CB-CZ 3.79Å; W290-F292 HydrophobicContact CG-CE1 4.32Å; W290-F292 HydrophobicContact CG-CZ 4.45Å |
| 293 | F | 95.5 | Very high | 91.4 | Very high | 26 Ų | 26 | 71.9 Ų | 71.9 | 11% | 0.114 | 41% | 0.409 | C | S | . | . | S | Bend | trans | 52 | 52.7 | -179.7 | -45.4 | -70.5 | 0 | 0 | 0 | 113.5 | M103 V208 I210 V245 A247 K258 K295 L296 | M103-F293 HydrophobicContact CE-CE1 4.35Å; V208-F293 HydrophobicContact CB-CE1 4Å; V208-F293 HydrophobicContact CB-CZ 4.47Å; V208-F293 HydrophobicContact CG1-CE1 3.72Å; V208-F293 HydrophobicContact CG1-CZ 4.33Å; V208-F293 WeakPolarHBondContact O-CZ 2.92Å; I210-F293 HydrophobicContact CD1-CD1 4.41Å; I210-F293 HydrophobicContact CD1-CE1 3.81Å; I210-F293 HydrophobicContact CD1-CE2 4.24Å; I210-F293 HydrophobicContact CD1-CZ 3.72Å; I210-F293 HydrophobicContact CG1-CE1 4.16Å; I210-F293 HydrophobicContact CG1-CZ 3.85Å; V245-F293 HydrophobicContact CB-CE2 4.39Å; V245-F293 HydrophobicContact CG1-CD2 4.42Å; V245-F293 HydrophobicContact CG1-CE2 3.82Å; A247-F293 HydrophobicContact CB-CD1 3.87Å; A247-F293 HydrophobicContact CB-CD2 3.84Å; A247-F293 HydrophobicContact CB-CE1 3.76Å; A247-F293 HydrophobicContact CB-CE2 3.71Å; A247-F293 HydrophobicContact CB-CG 3.9Å; A247-F293 HydrophobicContact CB-CZ 3.67Å; K258-F293 HydrophobicContact CD-CB 4.37Å; K258-F293 HydrophobicContact CD-CD2 3.94Å; K258-F293 HydrophobicContact CG-CD2 4.28Å; F293-K295 PolarHBondContact O-N 3.44Å; F293-L296 HydrophobicContact CB-CB 4.39Å; F293-L296 HydrophobicContact CB-CD1 3.63Å; F293-L296 HydrophobicContact CB-CG 3.87Å; F293-L296 HydrophobicContact CG-CD1 4.17Å; F293-L296 WeakPolarHBondContact O-CB 3.21Å; F293-L296 PolarHBondContact O-N 3.07Å |
| 294 | P | 92.7 | Very high | 91.1 | Very high | 82 Ų | 82 | 75.9 Ų | 75.9 | 53% | 0.532 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -15 | -171.7 | 26.8 | -36.7 | 0 | 0 | 0 | 114.6 | I53 K291 | I53-P294 HydrophobicContact CD1-CB 4.38Å; K291-P294 HydrophobicContact CG-CB 3.88Å |
| 295 | K | 91.4 | Very high | 90.6 | Very high | 204 Ų | 204 | 81.2 Ų | 81.2 | 89% | 0.887 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -12.6 | 176.2 | -63.7 | -172.8 | 178.7 | -177.2 | 0 | 113.6 | F293 | F293-K295 PolarHBondContact O-N 3.44Š|
| 296 | L | 88.8 | Confident | 90.1 | Very high | 47 Ų | 47 | 86.2 Ų | 86.2 | 25% | 0.246 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -76.4 | 125.4 | 171.6 | -64 | -176.5 | 0 | 0 | 0 | 108 | A247 W256 K258 F293 S298 | A247-L296 HydrophobicContact CB-CD1 3.88Å; W256-L296 HydrophobicContact CB-CD1 3.87Å; W256-L296 HydrophobicContact CB-CD2 3.68Å; W256-L296 HydrophobicContact CB-CG 4.41Å; W256-L296 HydrophobicContact CD2-CD2 4.39Å; W256-L296 HydrophobicContact CG-CD1 4.44Å; W256-L296 HydrophobicContact CG-CD2 3.73Å; K258-L296 HydrophobicContact CD-CD1 4.35Å; K258-L296 HydrophobicContact CG-CD1 4.11Å; F293-L296 HydrophobicContact CB-CB 4.39Å; F293-L296 HydrophobicContact CB-CD1 3.63Å; F293-L296 HydrophobicContact CB-CG 3.87Å; F293-L296 HydrophobicContact CG-CD1 4.17Å; F293-L296 WeakPolarHBondContact O-CB 3.21Å; F293-L296 PolarHBondContact O-N 3.07Å; L296-S298 PolarHBondContact O-N 2.63Å |
| 297 | K | 73.3 | Confident | 89.5 | Confident | 207 Ų | 207 | 86.8 Ų | 86.8 | 90% | 0.9 | 49% | 0.485 | S | S | * | . | trans | -62.5 | 132.7 | 171 | -64 | -175.3 | 179.7 | -177.2 | 0 | 108 | ||||
| 298 | S | 59 | Low | 88.9 | Confident | 172 Ų | 172 | 90.5 Ų | 90.5 | 100% | 1.203 | 49% | 0.494 | S | S | * | . | trans | -63.3 | 0 | 173.4 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | L296 | L296-S298 PolarHBondContact O-N 2.63Š|
Retrieved 298 of 298 residues in 58.4 ms
(Link to these results)