| 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 | 35.3 | Very low | 72 | Confident | 241 Ų | 241 | 69.5 Ų | 69.5 | 100% | 1.187 | 38% | 0.382 | S | S | * | . | 0 | 107.3 | 0 | -77.9 | -180 | 174.4 | 0 | 0 | 106.9 | S3 | M1-S3 PolarHBondContact O-N 2.95Å; M1-S3 VanDerWaalsContact O-N 3.11Å | |||
| 2 | E | 35.7 | Very low | 72.8 | Confident | 196 Ų | 196 | 67.5 Ų | 67.5 | 92% | 0.916 | 39% | 0.389 | S | S | * | . | trans | -52.3 | 115.6 | -174.4 | -70.5 | 170.5 | 162.5 | 0 | 0 | 110.8 | C4 | E2-C4 PolarHBondContact O-N 3.18Š| ||
| 3 | S | 44.6 | Very low | 73.7 | Confident | 103 Ų | 103 | 64.8 Ų | 64.8 | 72% | 0.72 | 37% | 0.372 | S | S | * | . | trans | -70.7 | 92.3 | 178.5 | 55.9 | 0 | 0 | 0 | 0 | 108.5 | M1 T5 | M1-S3 PolarHBondContact O-N 2.95Å; M1-S3 VanDerWaalsContact O-N 3.11Å; S3-T5 PolarHBondContact O-N 3.29Å | ||
| 4 | C | 52.1 | Low | 74.2 | Confident | 62 Ų | 62 | 71.7 Ų | 71.7 | 42% | 0.419 | 40% | 0.396 | S | S | . | . | trans | -59.2 | 105.1 | 173.6 | -163.5 | 0 | 0 | 0 | 0 | 108.5 | E2 H6 V7 | E2-C4 PolarHBondContact O-N 3.18Å; C4-H6 VanDerWaalsContact C-N 3.26Å; C4-H6 PolarHBondContact O-N 3.49Å; C4-V7 HydrophobicContact CB-CG2 4.27Å | ||
| 5 | T | 70.6 | Confident | 74.9 | Confident | 97 Ų | 97 | 70.1 Ų | 70.1 | 60% | 0.595 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -71.8 | -21 | -173.8 | 48.1 | 0 | 0 | 0 | 0 | 112.6 | S3 T44 | S3-T5 PolarHBondContact O-N 3.29Å; T5-T44 PolarHBondContact O-OG1 3.25Å |
| 6 | H | 89.1 | Confident | 75.4 | Confident | 29 Ų | 29 | 74.1 Ų | 74.1 | 13% | 0.134 | 41% | 0.41 | C | S | . | . | trans | -124.6 | 84.4 | -171.8 | -69.5 | 85.5 | 0 | 0 | 0 | 112.4 | C4 F8 G31 K32 H45 W82 | C4-H6 VanDerWaalsContact C-N 3.26Å; C4-H6 PolarHBondContact O-N 3.49Å; H6-F8 HydrophobicContact CB-CE2 3.77Å; H6-F8 HydrophobicContact CB-CZ 4.3Å; H6-G31 CarbonylContact O-C 3.52Å; H6-G31 WeakPolarHBondContact O-CA 3.32Å; H6-K32 PolarHBondContact O-N 3.16Å; H6-H45 AromaticContact CD2-CE1 3.53Å; H6-H45 AromaticContact CD2-NE2 3.99Å; H6-H45 AromaticContact NE2-CE1 3.99Å; H6-W82 HydrophobicContact CB-CZ2 4.31Å; H6-W82 AromaticContact CD2-CD2 3.96Å; H6-W82 AromaticContact CE1-CD1 3.96Å; H6-W82 AromaticContact CG-NE1 3.96Å; H6-W82 AromaticContact ND1-CD1 3.97Å; H6-W82 AromaticContact NE2-CG 3.89Å | ||
| 7 | V | 94.3 | Very high | 76 | Confident | 12 Ų | 12 | 76.6 Ų | 76.6 | 7% | 0.073 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.2 | 175.6 | -176 | 0 | 0 | 0 | 0 | 110.7 | C4 K32 I34 T44 H45 | C4-V7 HydrophobicContact CB-CG2 4.27Å; V7-K32 CarbonylContact C-O 3.52Å; V7-K32 WeakPolarHBondContact CA-O 3.37Å; V7-K32 HydrophobicContact CG2-CB 4.45Å; V7-I34 HydrophobicContact CG1-CD1 3.21Å; V7-I34 HydrophobicContact CG1-CG1 3.65Å; V7-T44 WeakPolarHBondContact CA-OG1 3.46Å; V7-T44 HydrophobicContact CB-CG2 4.27Å; V7-T44 PolarHBondContact N-OG1 3.08Å; V7-T44 PolarHBondContact O-N 3.42Å; V7-T44 PolarHBondContact O-OG1 3.32Å; V7-H45 PolarHBondContact O-N 3.28Å |
| 8 | F | 94.3 | Very high | 76.5 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 141.9 | -169.7 | -65.9 | -91 | 0 | 0 | 0 | 114.2 | H6 I26 K32 Y33 I34 H45 I47 Y72 V73 W82 | H6-F8 HydrophobicContact CB-CE2 3.77Å; H6-F8 HydrophobicContact CB-CZ 4.3Å; F8-I26 HydrophobicContact CB-CD1 3.83Å; F8-I26 HydrophobicContact CD2-CB 4.4Å; F8-I26 HydrophobicContact CD2-CD1 4.19Å; F8-I26 HydrophobicContact CD2-CG1 3.94Å; F8-I26 HydrophobicContact CD2-CG2 3.56Å; F8-I26 HydrophobicContact CE2-CG1 4.27Å; F8-I26 HydrophobicContact CE2-CG2 4.08Å; F8-I26 HydrophobicContact CG-CD1 3.95Å; F8-I26 HydrophobicContact CG-CG1 4.14Å; F8-I26 HydrophobicContact CG-CG2 4.36Å; F8-K32 PolarHBondContact N-O 3.43Å; F8-Y33 WeakPolarHBondContact O-CD2 3.48Å; F8-I34 PolarHBondContact O-N 2.8Å; F8-H45 VanDerWaalsContact CA-O 3.29Å; F8-H45 WeakPolarHBondContact CA-O 3.42Å; F8-H45 HydrophobicContact CD1-CB 3.29Å; F8-H45 HydrophobicContact CE1-CB 3.34Å; F8-H45 AromaticContact CE1-CG 3.66Å; F8-H45 HydrophobicContact CG-CB 4.09Å; F8-H45 HydrophobicContact CZ-CB 4.18Å; F8-I47 HydrophobicContact CB-CD1 4.4Å; F8-I47 HydrophobicContact CD1-CD1 3.64Å; F8-I47 HydrophobicContact CD1-CG1 3.86Å; F8-I47 HydrophobicContact CE1-CD1 4.28Å; F8-I47 HydrophobicContact CE1-CG1 4.42Å; F8-I47 HydrophobicContact CG-CD1 4.27Å; F8-Y72 HydrophobicContact CE1-CD1 4.21Å; F8-Y72 HydrophobicContact CE1-CE1 4.04Å; F8-Y72 HydrophobicContact CZ-CE1 4.02Å; F8-V73 HydrophobicContact CE1-CG2 4.47Å; F8-W82 AromaticContact CE2-CH2 3.41Å; F8-W82 HydrophobicContact CE2-CH2 3.41Å; F8-W82 VanDerWaalsContact CE2-CH2 3.41Å; F8-W82 AromaticContact CE2-CZ2 3.77Å; F8-W82 HydrophobicContact CE2-CZ2 3.77Å; F8-W82 HydrophobicContact CE2-CZ3 4.03Å; F8-W82 HydrophobicContact CZ-CE3 4.31Å; F8-W82 AromaticContact CZ-CH2 3.5Å; F8-W82 HydrophobicContact CZ-CH2 3.5Å; F8-W82 HydrophobicContact CZ-CZ2 4.15Å; F8-W82 AromaticContact CZ-CZ3 3.6Å; F8-W82 HydrophobicContact CZ-CZ3 3.6Å |
| 9 | Q | 94.6 | Very high | 77.2 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 157 | 156.3 | -65.7 | -162.9 | -76.2 | 0 | 0 | 110.2 | I34 V38 T43 H45 L46 I47 | Q9-I34 HydrophobicContact CG-CB 4.32Å; Q9-I34 WeakPolarHBondContact CG-O 3.42Å; Q9-V38 PolarHBondContact NE2-O 2.88Å; Q9-V38 VanDerWaalsContact NE2-O 3.15Å; Q9-T43 HydrophobicContact CB-CG2 4.06Å; Q9-T43 HydrophobicContact CG-CG2 3.82Å; Q9-T43 VanDerWaalsContact CG-OG1 3.29Å; Q9-T43 WeakPolarHBondContact CG-OG1 3.3Å; Q9-T43 PolarHBondContact OE1-OG1 3.24Å; Q9-T43 VanDerWaalsContact OE1-OG1 3.12Å; Q9-H45 PolarHBondContact N-O 3.08Å; Q9-L46 HydrophobicContact CB-CD1 3.96Å; Q9-L46 WeakPolarHBondContact O-CA 3.41Å; Q9-I47 PolarHBondContact O-N 3.4Å |
| 10 | I | 92.6 | Very high | 77.8 | Confident | 8 Ų | 8 | 84.2 Ų | 84.2 | 4% | 0.041 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 137.4 | 177.2 | -63.3 | 166.2 | 0 | 0 | 0 | 109 | I13 K19 L22 I23 Y33 I47 K56 | I10-I13 HydrophobicContact CG2-CB 4Å; I10-I13 HydrophobicContact CG2-CD1 3.74Å; I10-I13 HydrophobicContact CG2-CG1 3.92Å; I10-K19 HydrophobicContact CD1-CG 4.07Å; I10-L22 HydrophobicContact CD1-CB 4.28Å; I10-I23 HydrophobicContact CD1-CG1 4.03Å; I10-Y33 HydrophobicContact CB-CE2 4.06Å; I10-Y33 HydrophobicContact CD1-CD2 4.13Å; I10-Y33 HydrophobicContact CD1-CE2 3.62Å; I10-Y33 HydrophobicContact CG1-CD2 4.28Å; I10-Y33 HydrophobicContact CG1-CE2 3.67Å; I10-I47 HydrophobicContact CG1-CB 4.14Å; I10-I47 HydrophobicContact CG1-CD1 4.17Å; I10-K56 PolarHBondContact O-NZ 2.92Å; I10-K56 VanDerWaalsContact O-NZ 3.1Å |
| 11 | S | 88.5 | Confident | 78.5 | Confident | 16 Ų | 16 | 83.9 Ų | 83.9 | 11% | 0.112 | 44% | 0.439 | C | S | . | . | trans | -130 | 148.1 | 171.7 | -157.8 | 0 | 0 | 0 | 0 | 110.6 | I13 I47 S54 | S11-I13 VanDerWaalsContact C-N 3.34Å; S11-I13 PolarHBondContact O-N 3.43Å; S11-I47 PolarHBondContact N-O 3.26Å; S11-S54 PolarHBondContact OG-OG 2.55Å | ||
| 12 | G | 81.7 | Confident | 81.2 | Confident | 46 Ų | 46 | 72.6 Ų | 72.6 | 47% | 0.474 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 78.1 | -0.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 13 | I | 85.1 | Confident | 83.9 | Confident | 32 Ų | 32 | 65 Ų | 65 | 16% | 0.164 | 35% | 0.348 | C | S | . | . | trans | -102.1 | 100.1 | 180 | -54.2 | -178.1 | 0 | 0 | 0 | 109.4 | I10 S11 K18 K19 L22 I47 P49 P70 | I10-I13 HydrophobicContact CG2-CB 4Å; I10-I13 HydrophobicContact CG2-CD1 3.74Å; I10-I13 HydrophobicContact CG2-CG1 3.92Å; S11-I13 VanDerWaalsContact C-N 3.34Å; S11-I13 PolarHBondContact O-N 3.43Å; I13-K18 HydrophobicContact CG2-CB 4.13Å; I13-K19 HydrophobicContact CG2-CB 4.39Å; I13-L22 HydrophobicContact CD1-CD1 3.41Å; I13-L22 VanDerWaalsContact CD1-CD1 3.41Å; I13-I47 HydrophobicContact CD1-CG2 4.39Å; I13-P49 HydrophobicContact CG1-CG 4.44Å; I13-P70 HydrophobicContact CD1-CG 3.98Å | ||
| 14 | K | 80.3 | Confident | 86.2 | Confident | 162 Ų | 162 | 66.3 Ų | 66.3 | 70% | 0.704 | 34% | 0.342 | S | S | * | . | trans | -79.8 | -33.7 | -179.6 | -65.7 | -175.8 | 179.1 | -179.4 | 0 | 112.8 | Q16 D202 | K14-Q16 PolarHBondContact O-N 3.07Å; K14-D202 IonicContact NZ-OD1 3.92Å; K14-D202 PolarHBondContact NZ-OD1 3.48Å | ||
| 15 | A | 85.3 | Confident | 88.1 | Confident | 47 Ų | 47 | 63.4 Ų | 63.4 | 39% | 0.388 | 32% | 0.322 | S | S | . | . | trans | -67.9 | 117.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | D17 K18 K19 | A15-D17 VanDerWaalsContact C-N 3.34Å; A15-D17 PolarHBondContact O-N 2.86Å; A15-K18 HydrophobicContact CB-CB 4.26Å; A15-K18 HydrophobicContact CB-CD 4.2Å; A15-K18 HydrophobicContact CB-CG 4.12Å; A15-K18 PolarHBondContact O-N 3.44Å; A15-K19 PolarHBondContact O-N 3.3Å | ||
| 16 | Q | 83.3 | Confident | 89.2 | Confident | 134 Ų | 134 | 58.8 Ų | 58.8 | 63% | 0.626 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.1 | -37.8 | -175.5 | -68.4 | -166.2 | 3.9 | 0 | 0 | 112.6 | K14 K19 R20 | K14-Q16 PolarHBondContact O-N 3.07Å; Q16-K19 PolarHBondContact O-N 2.66Å; Q16-R20 WeakPolarHBondContact O-CG 3.2Å; Q16-R20 PolarHBondContact O-N 2.83Å |
| 17 | D | 85 | Confident | 89.4 | Confident | 117 Ų | 117 | 63.6 Ų | 63.6 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66.7 | -45.1 | -178.1 | -56.8 | -43.5 | 0 | 0 | 0 | 111.8 | A15 K19 R20 V21 | A15-D17 VanDerWaalsContact C-N 3.34Å; A15-D17 PolarHBondContact O-N 2.86Å; D17-K19 VanDerWaalsContact C-N 3.27Å; D17-K19 PolarHBondContact O-N 3.37Å; D17-R20 PolarHBondContact O-N 3.39Å; D17-R20 VanDerWaalsContact O-N 3.16Å; D17-V21 WeakPolarHBondContact O-CG2 3.32Å; D17-V21 PolarHBondContact O-N 3.36Å |
| 18 | K | 85.4 | Confident | 89.2 | Confident | 147 Ų | 147 | 69 Ų | 69 | 64% | 0.639 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.2 | -40.5 | 174.5 | -64.9 | -171.5 | 179.3 | -177.2 | 0 | 111.5 | I13 A15 V21 L22 | I13-K18 HydrophobicContact CG2-CB 4.13Å; A15-K18 HydrophobicContact CB-CB 4.26Å; A15-K18 HydrophobicContact CB-CD 4.2Å; A15-K18 HydrophobicContact CB-CG 4.12Å; A15-K18 PolarHBondContact O-N 3.44Å; K18-V21 PolarHBondContact O-N 3.29Å; K18-L22 WeakPolarHBondContact O-CG 3.45Å; K18-L22 PolarHBondContact O-N 3.49Å |
| 19 | K | 88.3 | Confident | 89 | Confident | 75 Ų | 75 | 70.2 Ų | 70.2 | 33% | 0.326 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 177.2 | -169.2 | -179.2 | 179.1 | -175.9 | 0 | 112 | I10 I13 A15 Q16 D17 L22 I23 Y33 | I10-K19 HydrophobicContact CD1-CG 4.07Å; I13-K19 HydrophobicContact CG2-CB 4.39Å; A15-K19 PolarHBondContact O-N 3.3Å; Q16-K19 PolarHBondContact O-N 2.66Å; D17-K19 VanDerWaalsContact C-N 3.27Å; D17-K19 PolarHBondContact O-N 3.37Å; K19-L22 PolarHBondContact O-N 3.03Å; K19-I23 HydrophobicContact CD-CD1 4.49Å; K19-I23 HydrophobicContact CG-CD1 3.88Å; K19-I23 WeakPolarHBondContact O-CB 3.16Å; K19-I23 VanDerWaalsContact O-CG1 3.23Å; K19-I23 WeakPolarHBondContact O-CG1 3.44Å; K19-I23 PolarHBondContact O-N 3.19Å; K19-Y33 WeakPolarHBondContact CE-OH 3.17Å; K19-Y33 PolarHBondContact NZ-OH 3.11Å |
| 20 | R | 89.2 | Confident | 88.8 | Confident | 160 Ų | 160 | 73.1 Ų | 73.1 | 60% | 0.604 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.1 | -43.1 | 176.1 | -75.4 | 177.4 | -174.1 | -177.3 | 3.8 | 111.7 | Q16 D17 I23 K24 | Q16-R20 WeakPolarHBondContact O-CG 3.2Å; Q16-R20 PolarHBondContact O-N 2.83Å; D17-R20 PolarHBondContact O-N 3.39Å; D17-R20 VanDerWaalsContact O-N 3.16Å; R20-I23 PolarHBondContact O-N 3.19Å; R20-K24 WeakPolarHBondContact O-CB 3.37Å; R20-K24 PolarHBondContact O-N 3.28Å |
| 21 | V | 92.6 | Very high | 88.7 | Confident | 77 Ų | 77 | 73 Ų | 73 | 47% | 0.467 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60 | -47.6 | 176.8 | 174 | 0 | 0 | 0 | 0 | 111.1 | D17 K18 I23 K24 G25 L74 | D17-V21 WeakPolarHBondContact O-CG2 3.32Å; D17-V21 PolarHBondContact O-N 3.36Å; K18-V21 PolarHBondContact O-N 3.29Å; V21-I23 PolarHBondContact O-N 3.13Å; V21-K24 PolarHBondContact O-N 3.18Å; V21-G25 PolarHBondContact O-N 3.28Å; V21-L74 HydrophobicContact CG1-CD2 3.8Å |
| 22 | L | 92.4 | Very high | 88.9 | Confident | 5 Ų | 5 | 77.9 Ų | 77.9 | 3% | 0.026 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 178.2 | -68.9 | 168.7 | 0 | 0 | 0 | 112.4 | I10 I13 K18 K19 G25 I26 I47 P70 V73 L74 | I10-L22 HydrophobicContact CD1-CB 4.28Å; I13-L22 HydrophobicContact CD1-CD1 3.41Å; I13-L22 VanDerWaalsContact CD1-CD1 3.41Å; K18-L22 WeakPolarHBondContact O-CG 3.45Å; K18-L22 PolarHBondContact O-N 3.49Å; K19-L22 PolarHBondContact O-N 3.03Å; L22-G25 PolarHBondContact O-N 2.94Å; L22-I26 WeakPolarHBondContact O-CD1 3.48Å; L22-I26 VanDerWaalsContact O-CG1 3.24Å; L22-I26 WeakPolarHBondContact O-CG1 3.39Å; L22-I26 PolarHBondContact O-N 3.06Å; L22-I47 HydrophobicContact CD1-CG2 4.43Å; L22-P70 HydrophobicContact CD1-CB 4.14Å; L22-P70 HydrophobicContact CD2-CB 4.05Å; L22-V73 HydrophobicContact CD2-CB 3.96Å; L22-V73 HydrophobicContact CD2-CG1 4.29Å; L22-L74 HydrophobicContact CD2-CD2 4Å; L22-L74 HydrophobicContact CD2-CG 3.99Å |
| 23 | I | 93.3 | Very high | 89.4 | Confident | 35 Ų | 35 | 76.9 Ų | 76.9 | 18% | 0.179 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64 | -44 | 178.4 | -69 | 168.8 | 0 | 0 | 0 | 110.7 | I10 K19 R20 V21 G25 I26 Y27 Y33 | I10-I23 HydrophobicContact CD1-CG1 4.03Å; K19-I23 HydrophobicContact CD-CD1 4.49Å; K19-I23 HydrophobicContact CG-CD1 3.88Å; K19-I23 WeakPolarHBondContact O-CB 3.16Å; K19-I23 VanDerWaalsContact O-CG1 3.23Å; K19-I23 WeakPolarHBondContact O-CG1 3.44Å; K19-I23 PolarHBondContact O-N 3.19Å; R20-I23 PolarHBondContact O-N 3.19Å; V21-I23 PolarHBondContact O-N 3.13Å; I23-G25 VanDerWaalsContact C-N 3.29Å; I23-G25 PolarHBondContact O-N 3.38Å; I23-I26 PolarHBondContact O-N 2.99Å; I23-Y27 HydrophobicContact CG2-CD2 3.72Å; I23-Y27 HydrophobicContact CG2-CE2 3.32Å; I23-Y27 WeakPolarHBondContact O-CD2 3.17Å; I23-Y27 PolarHBondContact O-N 3.41Å; I23-Y27 VanDerWaalsContact O-N 3.11Å; I23-Y33 HydrophobicContact CD1-CD1 3.75Å; I23-Y33 HydrophobicContact CD1-CE1 3.5Å; I23-Y33 VanDerWaalsContact CD1-CE1 3.5Å; I23-Y33 HydrophobicContact CD1-CG 4.39Å; I23-Y33 HydrophobicContact CG1-CD1 3.79Å; I23-Y33 HydrophobicContact CG1-CD2 4.27Å; I23-Y33 HydrophobicContact CG1-CE1 3.96Å; I23-Y33 HydrophobicContact CG1-CE2 4.43Å; I23-Y33 HydrophobicContact CG1-CG 3.94Å; I23-Y33 HydrophobicContact CG2-CD1 4.24Å |
| 24 | K | 92.6 | Very high | 89.6 | Confident | 132 Ų | 132 | 77 Ų | 77 | 57% | 0.574 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.6 | -44.5 | 174.9 | -175.3 | 178.5 | 178.6 | -178.2 | 0 | 110.8 | R20 V21 Y27 Q28 | R20-K24 WeakPolarHBondContact O-CB 3.37Å; R20-K24 PolarHBondContact O-N 3.28Å; V21-K24 PolarHBondContact O-N 3.18Å; K24-Y27 PolarHBondContact O-N 3.33Å; K24-Q28 HydrophobicContact CG-CG 4.48Å; K24-Q28 WeakPolarHBondContact O-CB 3.16Å; K24-Q28 VanDerWaalsContact O-CG 3.32Å; K24-Q28 WeakPolarHBondContact O-CG 3.36Å; K24-Q28 PolarHBondContact O-N 2.92Å |
| 25 | G | 91.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V21 L22 I23 Y27 Q28 L29 M77 | V21-G25 PolarHBondContact O-N 3.28Å; L22-G25 PolarHBondContact O-N 2.94Å; I23-G25 VanDerWaalsContact C-N 3.29Å; I23-G25 PolarHBondContact O-N 3.38Å; G25-Y27 VanDerWaalsContact C-N 3.32Å; G25-Y27 PolarHBondContact O-N 3.11Å; G25-Q28 PolarHBondContact O-N 3.36Å; G25-L29 WeakPolarHBondContact O-CG 3.19Å; G25-L29 PolarHBondContact O-N 3.3Å; G25-L29 VanDerWaalsContact O-N 3.07Å; G25-M77 WeakPolarHBondContact CA-SD 3.43Å |
| 26 | I | 94 | Very high | 89.6 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 177.1 | -70.1 | 159.2 | 0 | 0 | 0 | 110.5 | F8 L22 I23 L29 G30 G31 Y33 I47 V73 W82 | F8-I26 HydrophobicContact CB-CD1 3.83Å; F8-I26 HydrophobicContact CD2-CB 4.4Å; F8-I26 HydrophobicContact CD2-CD1 4.19Å; F8-I26 HydrophobicContact CD2-CG1 3.94Å; F8-I26 HydrophobicContact CD2-CG2 3.56Å; F8-I26 HydrophobicContact CE2-CG1 4.27Å; F8-I26 HydrophobicContact CE2-CG2 4.08Å; F8-I26 HydrophobicContact CG-CD1 3.95Å; F8-I26 HydrophobicContact CG-CG1 4.14Å; F8-I26 HydrophobicContact CG-CG2 4.36Å; L22-I26 WeakPolarHBondContact O-CD1 3.48Å; L22-I26 VanDerWaalsContact O-CG1 3.24Å; L22-I26 WeakPolarHBondContact O-CG1 3.39Å; L22-I26 PolarHBondContact O-N 3.06Å; I23-I26 PolarHBondContact O-N 2.99Å; I26-L29 PolarHBondContact O-N 3.48Å; I26-G30 PolarHBondContact O-N 3.01Å; I26-G31 VanDerWaalsContact CG2-C 3.5Å; I26-G31 VanDerWaalsContact O-CA 3.3Å; I26-G31 WeakPolarHBondContact O-CA 3.43Å; I26-G31 PolarHBondContact O-N 3.36Å; I26-Y33 HydrophobicContact CD1-CD2 4.44Å; I26-I47 HydrophobicContact CD1-CD1 3.79Å; I26-I47 HydrophobicContact CG1-CD1 4.5Å; I26-V73 HydrophobicContact CG1-CG1 4.06Å; I26-V73 HydrophobicContact CG1-CG2 4.07Å; I26-W82 HydrophobicContact CG1-CH2 4.44Å |
| 27 | Y | 93.1 | Very high | 89.5 | Confident | 131 Ų | 131 | 70 Ų | 70 | 51% | 0.514 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.1 | -39.3 | 179.2 | -70.4 | -54.5 | 0 | 0 | 0 | 112.9 | I23 K24 G25 L29 G30 | I23-Y27 HydrophobicContact CG2-CD2 3.72Å; I23-Y27 HydrophobicContact CG2-CE2 3.32Å; I23-Y27 WeakPolarHBondContact O-CD2 3.17Å; I23-Y27 PolarHBondContact O-N 3.41Å; I23-Y27 VanDerWaalsContact O-N 3.11Å; K24-Y27 PolarHBondContact O-N 3.33Å; G25-Y27 VanDerWaalsContact C-N 3.32Å; G25-Y27 PolarHBondContact O-N 3.11Å; Y27-L29 VanDerWaalsContact C-N 3.27Å; Y27-L29 PolarHBondContact O-N 3.44Å; Y27-G30 PolarHBondContact O-N 3.28Å |
| 28 | Q | 90.8 | Very high | 89.6 | Confident | 124 Ų | 124 | 66.2 Ų | 66.2 | 58% | 0.579 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.3 | -34.7 | 178.2 | -77.7 | 179.6 | -29.2 | 0 | 0 | 112.8 | K24 G25 G30 | K24-Q28 HydrophobicContact CG-CG 4.48Å; K24-Q28 WeakPolarHBondContact O-CB 3.16Å; K24-Q28 VanDerWaalsContact O-CG 3.32Å; K24-Q28 WeakPolarHBondContact O-CG 3.36Å; K24-Q28 PolarHBondContact O-N 2.92Å; G25-Q28 PolarHBondContact O-N 3.36Å; Q28-G30 PolarHBondContact O-N 2.9Å |
| 29 | L | 90.6 | Very high | 89.8 | Confident | 26 Ų | 26 | 60 Ų | 60 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 9.5 | 176.6 | -65.4 | 168 | 0 | 0 | 0 | 113.2 | G25 I26 Y27 G31 M77 W82 | G25-L29 WeakPolarHBondContact O-CG 3.19Å; G25-L29 PolarHBondContact O-N 3.3Å; G25-L29 VanDerWaalsContact O-N 3.07Å; I26-L29 PolarHBondContact O-N 3.48Å; Y27-L29 VanDerWaalsContact C-N 3.27Å; Y27-L29 PolarHBondContact O-N 3.44Å; L29-G31 VanDerWaalsContact C-N 3.32Å; L29-G31 PolarHBondContact O-N 3.33Å; L29-M77 HydrophobicContact CD1-CG 3.9Å; L29-M77 HydrophobicContact CG-CG 4.36Å; L29-W82 HydrophobicContact CB-CD2 4.14Å; L29-W82 HydrophobicContact CB-CH2 3.8Å; L29-W82 HydrophobicContact CB-CZ2 3.32Å; L29-W82 HydrophobicContact CB-CZ3 4.37Å; L29-W82 HydrophobicContact CD1-CD2 4.22Å; L29-W82 HydrophobicContact CD1-CE3 3.84Å; L29-W82 HydrophobicContact CD1-CH2 3.69Å; L29-W82 HydrophobicContact CD1-CZ2 4.07Å; L29-W82 HydrophobicContact CD1-CZ3 3.56Å; L29-W82 HydrophobicContact CG-CH2 4.42Å; L29-W82 HydrophobicContact CG-CZ2 4.36Å; L29-W82 PolarHBondContact O-NE1 3.49Å |
| 30 | G | 88.6 | Confident | 89.8 | Confident | 61 Ų | 61 | 61 Ų | 61 | 63% | 0.629 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 14.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | I26 Y27 Q28 | I26-G30 PolarHBondContact O-N 3.01Å; Y27-G30 PolarHBondContact O-N 3.28Å; Q28-G30 PolarHBondContact O-N 2.9Å |
| 31 | G | 90.9 | Very high | 89.6 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | trans | -86.4 | 166.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H6 I26 L29 | H6-G31 CarbonylContact O-C 3.52Å; H6-G31 WeakPolarHBondContact O-CA 3.32Å; I26-G31 VanDerWaalsContact CG2-C 3.5Å; I26-G31 VanDerWaalsContact O-CA 3.3Å; I26-G31 WeakPolarHBondContact O-CA 3.43Å; I26-G31 PolarHBondContact O-N 3.36Å; L29-G31 VanDerWaalsContact C-N 3.32Å; L29-G31 PolarHBondContact O-N 3.33Å | ||
| 32 | K | 93.3 | Very high | 89.4 | Confident | 118 Ų | 118 | 60.1 Ų | 60.1 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 122.1 | -179.8 | -175.5 | 173.8 | -177.7 | 171.2 | 0 | 111.7 | H6 V7 F8 | H6-K32 PolarHBondContact O-N 3.16Å; V7-K32 CarbonylContact C-O 3.52Å; V7-K32 WeakPolarHBondContact CA-O 3.37Å; V7-K32 HydrophobicContact CG2-CB 4.45Å; F8-K32 PolarHBondContact N-O 3.43Å |
| 33 | Y | 93.2 | Very high | 89.3 | Confident | 26 Ų | 26 | 59.9 Ų | 59.9 | 10% | 0.102 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 130.8 | 171.1 | 176.6 | -112.1 | 0 | 0 | 0 | 111.9 | F8 I10 K19 I23 I26 | F8-Y33 WeakPolarHBondContact O-CD2 3.48Å; I10-Y33 HydrophobicContact CB-CE2 4.06Å; I10-Y33 HydrophobicContact CD1-CD2 4.13Å; I10-Y33 HydrophobicContact CD1-CE2 3.62Å; I10-Y33 HydrophobicContact CG1-CD2 4.28Å; I10-Y33 HydrophobicContact CG1-CE2 3.67Å; K19-Y33 WeakPolarHBondContact CE-OH 3.17Å; K19-Y33 PolarHBondContact NZ-OH 3.11Å; I23-Y33 HydrophobicContact CD1-CD1 3.75Å; I23-Y33 HydrophobicContact CD1-CE1 3.5Å; I23-Y33 VanDerWaalsContact CD1-CE1 3.5Å; I23-Y33 HydrophobicContact CD1-CG 4.39Å; I23-Y33 HydrophobicContact CG1-CD1 3.79Å; I23-Y33 HydrophobicContact CG1-CD2 4.27Å; I23-Y33 HydrophobicContact CG1-CE1 3.96Å; I23-Y33 HydrophobicContact CG1-CE2 4.43Å; I23-Y33 HydrophobicContact CG1-CG 3.94Å; I23-Y33 HydrophobicContact CG2-CD1 4.24Å; I26-Y33 HydrophobicContact CD1-CD2 4.44Å |
| 34 | I | 89.1 | Confident | 89.2 | Confident | 34 Ų | 34 | 60 Ų | 60 | 17% | 0.174 | 33% | 0.334 | C | S | . | . | trans | -111.4 | 107.2 | 174.3 | -56 | -175.3 | 0 | 0 | 0 | 109.1 | V7 F8 Q9 K40 C42 | V7-I34 HydrophobicContact CG1-CD1 3.21Å; V7-I34 HydrophobicContact CG1-CG1 3.65Å; F8-I34 PolarHBondContact O-N 2.8Å; Q9-I34 HydrophobicContact CG-CB 4.32Å; Q9-I34 WeakPolarHBondContact CG-O 3.42Å; I34-K40 HydrophobicContact CG2-CB 4.36Å; I34-K40 HydrophobicContact CG2-CG 3.95Å; I34-C42 WeakPolarHBondContact CD1-SG 3.3Å | ||
| 35 | G | 82.5 | Confident | 89.2 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 36% | 0.361 | 31% | 0.308 | S | S | . | . | trans | -69.6 | -172.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 36 | G | 82.8 | Confident | 89.3 | Confident | 52 Ų | 52 | 53.9 Ų | 53.9 | 54% | 0.536 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 104.4 | 163.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K56 | G36-K56 WeakPolarHBondContact O-CE 3.34Å; G36-K56 PolarHBondContact O-NZ 3.47Å |
| 37 | S | 80.5 | Confident | 89.3 | Confident | 109 Ų | 109 | 53.9 Ų | 53.9 | 76% | 0.762 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -84.8 | -14.4 | -178.1 | 50.7 | 0 | 0 | 0 | 0 | 113.8 | K56 | S37-K56 WeakPolarHBondContact O-CE 3.44Š|
| 38 | V | 86.5 | Confident | 89.1 | Confident | 38 Ų | 38 | 47.6 Ų | 47.6 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -111.3 | 151.5 | -171.2 | 169.4 | 0 | 0 | 0 | 0 | 111.7 | Q9 E55 R139 | Q9-V38 PolarHBondContact NE2-O 2.88Å; Q9-V38 VanDerWaalsContact NE2-O 3.15Å; V38-E55 WeakPolarHBondContact CG1-OE1 3.36Å; V38-R139 VanDerWaalsContact CG1-CD 3.44Å |
| 39 | Y | 89.9 | Confident | 88.7 | Confident | 16 Ų | 16 | 44.6 Ų | 44.6 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | trans | -66 | 139.1 | 175.3 | 179 | -104.8 | 0 | 0 | 0 | 112.3 | E55 A59 A60 A63 A143 | Y39-E55 PolarHBondContact N-OE1 3.23Å; Y39-A59 HydrophobicContact CD1-CB 3.55Å; Y39-A59 HydrophobicContact CD2-CB 3.79Å; Y39-A59 HydrophobicContact CE1-CB 3.93Å; Y39-A59 HydrophobicContact CE2-CB 4.16Å; Y39-A59 HydrophobicContact CG-CB 3.46Å; Y39-A59 VanDerWaalsContact CG-CB 3.46Å; Y39-A60 HydrophobicContact CE2-CB 4.17Å; Y39-A63 WeakPolarHBondContact OH-CB 3.24Å; Y39-A143 HydrophobicContact CD1-CB 4.04Å; Y39-A143 HydrophobicContact CE1-CB 3.6Å | ||
| 40 | K | 89.2 | Confident | 88.1 | Confident | 96 Ų | 96 | 47.8 Ų | 47.8 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | trans | -119.5 | 126.7 | 177.8 | -60.3 | -67.1 | -174.2 | 174.2 | 0 | 110 | I34 C42 T43 | I34-K40 HydrophobicContact CG2-CB 4.36Å; I34-K40 HydrophobicContact CG2-CG 3.95Å; K40-C42 VanDerWaalsContact C-N 3.27Å; K40-C42 PolarHBondContact O-N 2.91Å; K40-T43 WeakPolarHBondContact O-CB 3.44Å; K40-T43 PolarHBondContact O-N 3.19Å; K40-T43 VanDerWaalsContact O-N 3.07Å; K40-T43 PolarHBondContact O-OG1 3.15Å | ||
| 41 | H | 85 | Confident | 87.6 | Confident | 156 Ų | 156 | 46.3 Ų | 46.3 | 72% | 0.722 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -25.1 | -174.1 | 71.2 | -83.8 | 0 | 0 | 0 | 114.5 | T43 | H41-T43 PolarHBondContact O-N 3.23Š|
| 42 | C | 87.3 | Confident | 86.8 | Confident | 62 Ų | 62 | 47.6 Ų | 47.6 | 42% | 0.419 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -3.5 | 175.3 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | I34 K40 | I34-C42 WeakPolarHBondContact CD1-SG 3.3Å; K40-C42 VanDerWaalsContact C-N 3.27Å; K40-C42 PolarHBondContact O-N 2.91Å |
| 43 | T | 90.2 | Very high | 85.8 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | trans | -68.8 | 133.4 | 175.1 | -51.1 | 0 | 0 | 0 | 0 | 110.4 | Q9 K40 H41 H45 K65 | Q9-T43 HydrophobicContact CB-CG2 4.06Å; Q9-T43 HydrophobicContact CG-CG2 3.82Å; Q9-T43 VanDerWaalsContact CG-OG1 3.29Å; Q9-T43 WeakPolarHBondContact CG-OG1 3.3Å; Q9-T43 PolarHBondContact OE1-OG1 3.24Å; Q9-T43 VanDerWaalsContact OE1-OG1 3.12Å; K40-T43 WeakPolarHBondContact O-CB 3.44Å; K40-T43 PolarHBondContact O-N 3.19Å; K40-T43 VanDerWaalsContact O-N 3.07Å; K40-T43 PolarHBondContact O-OG1 3.15Å; H41-T43 PolarHBondContact O-N 3.23Å; T43-H45 WeakPolarHBondContact CG2-O 3.4Å; T43-K65 WeakPolarHBondContact O-CD 3.4Å; T43-K65 WeakPolarHBondContact O-CE 3.23Å; T43-K65 PolarHBondContact O-NZ 3.41Å | ||
| 44 | T | 91.1 | Very high | 85.3 | Confident | 36 Ų | 36 | 43.4 Ų | 43.4 | 22% | 0.221 | 26% | 0.261 | C | S | . | . | trans | -101.5 | -33.4 | 174.5 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | T5 V7 W66 | T5-T44 PolarHBondContact O-OG1 3.25Å; V7-T44 WeakPolarHBondContact CA-OG1 3.46Å; V7-T44 HydrophobicContact CB-CG2 4.27Å; V7-T44 PolarHBondContact N-OG1 3.08Å; V7-T44 PolarHBondContact O-N 3.42Å; V7-T44 PolarHBondContact O-OG1 3.32Å; T44-W66 PolarHBondContact O-N 3.14Å | ||
| 45 | H | 93.5 | Very high | 85.1 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.019 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135 | -175 | -66.2 | 79.6 | 0 | 0 | 0 | 111.4 | H6 V7 F8 Q9 T43 W66 E85 | H6-H45 AromaticContact CD2-CE1 3.53Å; H6-H45 AromaticContact CD2-NE2 3.99Å; H6-H45 AromaticContact NE2-CE1 3.99Å; V7-H45 PolarHBondContact O-N 3.28Å; F8-H45 VanDerWaalsContact CA-O 3.29Å; F8-H45 WeakPolarHBondContact CA-O 3.42Å; F8-H45 HydrophobicContact CD1-CB 3.29Å; F8-H45 HydrophobicContact CE1-CB 3.34Å; F8-H45 AromaticContact CE1-CG 3.66Å; F8-H45 HydrophobicContact CG-CB 4.09Å; F8-H45 HydrophobicContact CZ-CB 4.18Å; Q9-H45 PolarHBondContact N-O 3.08Å; T43-H45 WeakPolarHBondContact CG2-O 3.4Å; H45-W66 CarbonylContact C-O 3.6Å; H45-W66 WeakPolarHBondContact CA-O 3.42Å; H45-W66 HydrophobicContact CB-CB 4.5Å; H45-W66 WeakPolarHBondContact CD2-CB 3.5Å; H45-W66 AromaticContact CD2-CD1 3.84Å; H45-W66 AromaticContact CD2-CG 3.84Å; H45-W66 AromaticContact CE1-CD1 3.79Å; H45-W66 AromaticContact NE2-CD1 3.34Å; H45-W66 VanDerWaalsContact NE2-CD1 3.34Å; H45-W66 AromaticContact NE2-CG 3.77Å; H45-E85 IonicContact NE2-OE1 3.87Å; H45-E85 PolarHBondContact NE2-OE1 3.43Å |
| 46 | L | 93.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.2 | 169.9 | -177.6 | 73.4 | 0 | 0 | 0 | 109.5 | Q9 K56 F57 A60 W66 V67 V68 | Q9-L46 HydrophobicContact CB-CD1 3.96Å; Q9-L46 WeakPolarHBondContact O-CA 3.41Å; L46-K56 HydrophobicContact CD1-CB 3.96Å; L46-K56 HydrophobicContact CD2-CB 4.41Å; L46-F57 VanDerWaalsContact CD2-CA 3.44Å; L46-F57 HydrophobicContact CD2-CB 4.14Å; L46-F57 HydrophobicContact CD2-CD2 4.33Å; L46-A60 HydrophobicContact CB-CB 4.03Å; L46-A60 HydrophobicContact CD2-CB 3.85Å; L46-W66 PolarHBondContact N-O 3.26Å; L46-V67 HydrophobicContact CB-CG2 4.29Å; L46-V67 HydrophobicContact CD2-CG1 4.41Å; L46-V67 HydrophobicContact CD2-CG2 4.48Å; L46-V67 WeakPolarHBondContact O-CA 3.33Å; L46-V68 PolarHBondContact O-N 3.04Å |
| 47 | I | 92.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 123.7 | 174.2 | -60 | 162.9 | 0 | 0 | 0 | 108.9 | F8 Q9 I10 S11 I13 L22 I26 V68 P70 V73 | F8-I47 HydrophobicContact CB-CD1 4.4Å; F8-I47 HydrophobicContact CD1-CD1 3.64Å; F8-I47 HydrophobicContact CD1-CG1 3.86Å; F8-I47 HydrophobicContact CE1-CD1 4.28Å; F8-I47 HydrophobicContact CE1-CG1 4.42Å; F8-I47 HydrophobicContact CG-CD1 4.27Å; Q9-I47 PolarHBondContact O-N 3.4Å; I10-I47 HydrophobicContact CG1-CB 4.14Å; I10-I47 HydrophobicContact CG1-CD1 4.17Å; S11-I47 PolarHBondContact N-O 3.26Å; I13-I47 HydrophobicContact CD1-CG2 4.39Å; L22-I47 HydrophobicContact CD1-CG2 4.43Å; I26-I47 HydrophobicContact CD1-CD1 3.79Å; I26-I47 HydrophobicContact CG1-CD1 4.5Å; I47-V68 WeakPolarHBondContact CA-O 3.35Å; I47-V68 HydrophobicContact CG1-CG2 4.24Å; I47-P70 HydrophobicContact CG2-CB 4.27Å; I47-P70 HydrophobicContact CG2-CG 4.01Å; I47-V73 HydrophobicContact CD1-CG2 3.56Å; I47-V73 HydrophobicContact CG1-CG2 4.39Å |
| 48 | T | 89.3 | Confident | 86 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -147.3 | 137.2 | 175.1 | -173.1 | 0 | 0 | 0 | 0 | 110.2 | Q50 L52 F57 V67 V68 T69 V90 | T48-Q50 VanDerWaalsContact C-N 3.27Å; T48-Q50 VanDerWaalsContact CG2-O 3.28Å; T48-Q50 WeakPolarHBondContact CG2-O 3.23Å; T48-Q50 PolarHBondContact O-N 2.85Å; T48-Q50 PolarHBondContact OG1-O 3Å; T48-L52 VanDerWaalsContact OG1-CD1 3.3Å; T48-L52 WeakPolarHBondContact OG1-CD1 3.29Å; T48-F57 HydrophobicContact CG2-CD2 4.08Å; T48-F57 HydrophobicContact CG2-CE2 4.27Å; T48-V67 HydrophobicContact CG2-CG1 3.63Å; T48-V68 PolarHBondContact N-O 3.49Å; T48-T69 WeakPolarHBondContact O-CA 3.36Å; T48-V90 HydrophobicContact CG2-CG2 3.84Å | ||
| 49 | P | 82.2 | Confident | 86.2 | Confident | 61 Ų | 61 | 33 Ų | 33 | 40% | 0.396 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -68.9 | -28.4 | -179.9 | 27.5 | -34 | 0 | 0 | 0 | 112.8 | I13 P70 | I13-P49 HydrophobicContact CG1-CG 4.44Å; P49-P70 HydrophobicContact CB-CG 4.31Å |
| 50 | Q | 79.7 | Confident | 86.2 | Confident | 92 Ų | 92 | 32.3 Ų | 32.3 | 43% | 0.43 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -150.9 | 175.7 | -178.7 | 66.4 | -170.1 | 53.6 | 0 | 0 | 110.6 | T48 L52 | T48-Q50 VanDerWaalsContact C-N 3.27Å; T48-Q50 VanDerWaalsContact CG2-O 3.28Å; T48-Q50 WeakPolarHBondContact CG2-O 3.23Å; T48-Q50 PolarHBondContact O-N 2.85Å; T48-Q50 PolarHBondContact OG1-O 3Å; Q50-L52 HydrophobicContact CG-CD2 3.86Å; Q50-L52 HydrophobicContact CG-CG 4.17Å; Q50-L52 PolarHBondContact O-N 3.02Å |
| 51 | V | 76.8 | Confident | 86.1 | Confident | 30 Ų | 30 | 27.7 Ų | 27.7 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | trans | -66.6 | 126.8 | 171.1 | 175.6 | 0 | 0 | 0 | 0 | 109.6 | F57 V90 I92 L194 | V51-F57 HydrophobicContact CB-CZ 4.11Å; V51-F57 HydrophobicContact CG1-CE1 3.78Å; V51-F57 HydrophobicContact CG1-CE2 4.49Å; V51-F57 HydrophobicContact CG1-CZ 3.65Å; V51-F57 HydrophobicContact CG2-CE2 4.45Å; V51-F57 HydrophobicContact CG2-CZ 4.02Å; V51-V90 HydrophobicContact CG2-CG1 3.56Å; V51-I92 HydrophobicContact CG1-CG1 4.48Å; V51-I92 HydrophobicContact CG2-CD1 4.49Å; V51-I92 HydrophobicContact CG2-CG1 3.7Å; V51-L194 HydrophobicContact CG1-CD1 3.81Å; V51-L194 HydrophobicContact CG1-CD2 4.35Å | ||
| 52 | L | 73.9 | Confident | 86.4 | Confident | 33 Ų | 33 | 20.3 Ų | 20.3 | 17% | 0.173 | 12% | 0.117 | C | C | . | . | trans | -131.5 | 142 | -175.7 | -67.3 | 173 | 0 | 0 | 0 | 110.6 | T48 Q50 S54 F57 | T48-L52 VanDerWaalsContact OG1-CD1 3.3Å; T48-L52 WeakPolarHBondContact OG1-CD1 3.29Å; Q50-L52 HydrophobicContact CG-CD2 3.86Å; Q50-L52 HydrophobicContact CG-CG 4.17Å; Q50-L52 PolarHBondContact O-N 3.02Å; L52-S54 PolarHBondContact O-N 3.23Å; L52-F57 VanDerWaalsContact O-CB 3.28Å; L52-F57 WeakPolarHBondContact O-CB 3.49Å; L52-F57 WeakPolarHBondContact O-CD1 3.5Å; L52-F57 WeakPolarHBondContact O-CG 3.5Å | ||
| 53 | P | 72.3 | Confident | 86.5 | Confident | 40 Ų | 40 | 17.9 Ų | 17.9 | 26% | 0.26 | 10% | 0.101 | S | C | . | . | trans | -72.8 | 18.2 | 177 | 32.7 | -37.6 | 0 | 0 | 0 | 113.9 | V196 M201 | P53-V196 HydrophobicContact CB-CB 4.3Å; P53-V196 HydrophobicContact CB-CG1 3.3Å; P53-V196 HydrophobicContact CB-CG2 4.31Å; P53-M201 VanDerWaalsContact C-CE 3.42Å; P53-M201 HydrophobicContact CG-CG 4.39Å; P53-M201 WeakPolarHBondContact O-CE 3.47Å | ||
| 54 | S | 82.4 | Confident | 86.5 | Confident | 17 Ų | 17 | 18.2 Ų | 18.2 | 12% | 0.119 | 11% | 0.105 | C | C | . | . | trans | -69.4 | 150 | -173.7 | 74 | 0 | 0 | 0 | 0 | 113.9 | S11 L52 K56 F57 L58 | S11-S54 PolarHBondContact OG-OG 2.55Å; L52-S54 PolarHBondContact O-N 3.23Å; S54-K56 VanDerWaalsContact C-N 3.25Å; S54-K56 PolarHBondContact O-N 3.32Å; S54-F57 PolarHBondContact O-N 3.23Å; S54-F57 VanDerWaalsContact O-N 3.14Å; S54-F57 WeakPolarHBondContact OG-CB 3.49Å; S54-F57 PolarHBondContact OG-N 2.87Å; S54-L58 PolarHBondContact O-N 3.47Å | ||
| 55 | E | 85.9 | Confident | 86.4 | Confident | 26 Ų | 26 | 19.2 Ų | 19.2 | 12% | 0.121 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -50.5 | -47.8 | 173.2 | 175.2 | -176.3 | 152.9 | 0 | 0 | 111.2 | V38 Y39 F57 A59 M136 R139 | V38-E55 WeakPolarHBondContact CG1-OE1 3.36Å; Y39-E55 PolarHBondContact N-OE1 3.23Å; E55-F57 VanDerWaalsContact C-N 3.35Å; E55-F57 PolarHBondContact O-N 2.77Å; E55-A59 WeakPolarHBondContact O-CB 3.43Å; E55-A59 PolarHBondContact O-N 2.95Å; E55-M136 HydrophobicContact CB-CG 3.77Å; E55-M136 HydrophobicContact CB-SD 4.42Å; E55-M136 HydrophobicContact CG-CG 3.63Å; E55-M136 HydrophobicContact CG-SD 4.4Å; E55-M136 WeakPolarHBondContact OE2-CG 3.49Å; E55-R139 IonicContact OE1-CZ 3.92Å; E55-R139 IonicContact OE1-NE 3.08Å; E55-R139 PolarHBondContact OE1-NE 2.87Å; E55-R139 IonicContact OE1-NH2 2.73Å; E55-R139 PolarHBondContact OE1-NH2 3.28Å; E55-R139 IonicContact OE2-CZ 3.32Å; E55-R139 IonicContact OE2-NE 2.67Å; E55-R139 IonicContact OE2-NH2 3.56Å; E55-R139 PolarHBondContact OE2-NH2 3.25Å |
| 56 | K | 89.2 | Confident | 86.3 | Confident | 20 Ų | 20 | 21.8 Ų | 21.8 | 9% | 0.087 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | -178 | -64.2 | -178.8 | -173.8 | 173.4 | 0 | 112.2 | I10 G36 S37 L46 S54 A60 | I10-K56 PolarHBondContact O-NZ 2.92Å; I10-K56 VanDerWaalsContact O-NZ 3.1Å; G36-K56 WeakPolarHBondContact O-CE 3.34Å; G36-K56 PolarHBondContact O-NZ 3.47Å; S37-K56 WeakPolarHBondContact O-CE 3.44Å; L46-K56 HydrophobicContact CD1-CB 3.96Å; L46-K56 HydrophobicContact CD2-CB 4.41Å; S54-K56 VanDerWaalsContact C-N 3.25Å; S54-K56 PolarHBondContact O-N 3.32Å; K56-A60 WeakPolarHBondContact O-CB 3.44Å; K56-A60 PolarHBondContact O-N 2.92Å |
| 57 | F | 87.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.009 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.4 | -55.9 | 178.6 | -179.9 | -94.8 | 0 | 0 | 0 | 111 | L46 T48 V51 L52 S54 E55 A59 A60 C61 V67 F189 | L46-F57 VanDerWaalsContact CD2-CA 3.44Å; L46-F57 HydrophobicContact CD2-CB 4.14Å; L46-F57 HydrophobicContact CD2-CD2 4.33Å; T48-F57 HydrophobicContact CG2-CD2 4.08Å; T48-F57 HydrophobicContact CG2-CE2 4.27Å; V51-F57 HydrophobicContact CB-CZ 4.11Å; V51-F57 HydrophobicContact CG1-CE1 3.78Å; V51-F57 HydrophobicContact CG1-CE2 4.49Å; V51-F57 HydrophobicContact CG1-CZ 3.65Å; V51-F57 HydrophobicContact CG2-CE2 4.45Å; V51-F57 HydrophobicContact CG2-CZ 4.02Å; L52-F57 VanDerWaalsContact O-CB 3.28Å; L52-F57 WeakPolarHBondContact O-CB 3.49Å; L52-F57 WeakPolarHBondContact O-CD1 3.5Å; L52-F57 WeakPolarHBondContact O-CG 3.5Å; S54-F57 PolarHBondContact O-N 3.23Å; S54-F57 VanDerWaalsContact O-N 3.14Å; S54-F57 WeakPolarHBondContact OG-CB 3.49Å; S54-F57 PolarHBondContact OG-N 2.87Å; E55-F57 VanDerWaalsContact C-N 3.35Å; E55-F57 PolarHBondContact O-N 2.77Å; F57-A59 VanDerWaalsContact C-N 3.27Å; F57-A59 PolarHBondContact O-N 3.31Å; F57-A60 PolarHBondContact O-N 3.12Å; F57-C61 PolarHBondContact O-N 3.47Å; F57-C61 PolarHBondContact O-SG 2.9Å; F57-V67 HydrophobicContact CD2-CG1 3.92Å; F57-V67 HydrophobicContact CE2-CG1 3.71Å; F57-F189 HydrophobicContact CE1-CE1 4.48Å; F57-F189 HydrophobicContact CE1-CZ 4.01Å |
| 58 | L | 88.1 | Confident | 86.2 | Confident | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.8 | -38.1 | -178.6 | -63.7 | 175.5 | 0 | 0 | 0 | 111.8 | S54 C61 A62 L140 V185 F189 F198 | S54-L58 PolarHBondContact O-N 3.47Å; L58-C61 PolarHBondContact O-N 2.83Å; L58-A62 WeakPolarHBondContact O-CB 3.47Å; L58-A62 PolarHBondContact O-N 2.68Å; L58-L140 HydrophobicContact CB-CD1 3.34Å; L58-V185 HydrophobicContact CD1-CG2 4.31Å; L58-V185 HydrophobicContact CD2-CG2 4.25Å; L58-F189 HydrophobicContact CD2-CE2 3.66Å; L58-F189 HydrophobicContact CD2-CZ 4.01Å; L58-F198 HydrophobicContact CD1-CE1 4.17Å; L58-F198 HydrophobicContact CD1-CZ 4.15Å |
| 59 | A | 90.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -71 | -38.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y39 E55 F57 A62 A63 L140 A143 | Y39-A59 HydrophobicContact CD1-CB 3.55Å; Y39-A59 HydrophobicContact CD2-CB 3.79Å; Y39-A59 HydrophobicContact CE1-CB 3.93Å; Y39-A59 HydrophobicContact CE2-CB 4.16Å; Y39-A59 HydrophobicContact CG-CB 3.46Å; Y39-A59 VanDerWaalsContact CG-CB 3.46Å; E55-A59 WeakPolarHBondContact O-CB 3.43Å; E55-A59 PolarHBondContact O-N 2.95Å; F57-A59 VanDerWaalsContact C-N 3.27Å; F57-A59 PolarHBondContact O-N 3.31Å; A59-A62 PolarHBondContact O-N 2.88Å; A59-A63 WeakPolarHBondContact O-CB 3.38Å; A59-A63 PolarHBondContact O-N 3.35Å; A59-L140 HydrophobicContact CB-CD1 4.04Å; A59-L140 VanDerWaalsContact N-CD1 3.3Å; A59-A143 HydrophobicContact CB-CB 3.87Å |
| 60 | A | 89.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y39 L46 K56 F57 A63 G64 K65 V67 | Y39-A60 HydrophobicContact CE2-CB 4.17Å; L46-A60 HydrophobicContact CB-CB 4.03Å; L46-A60 HydrophobicContact CD2-CB 3.85Å; K56-A60 WeakPolarHBondContact O-CB 3.44Å; K56-A60 PolarHBondContact O-N 2.92Å; F57-A60 PolarHBondContact O-N 3.12Å; A60-A63 PolarHBondContact O-N 3.05Å; A60-G64 PolarHBondContact O-N 2.86Å; A60-G64 VanDerWaalsContact O-N 3.14Å; A60-K65 HydrophobicContact CB-CB 4.22Å; A60-K65 PolarHBondContact O-N 2.89Å; A60-V67 HydrophobicContact CB-CG2 3.91Å |
| 61 | C | 88.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.9 | -49.6 | 174.3 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | F57 L58 A63 G64 V103 F189 | F57-C61 PolarHBondContact O-N 3.47Å; F57-C61 PolarHBondContact O-SG 2.9Å; L58-C61 PolarHBondContact O-N 2.83Å; C61-A63 VanDerWaalsContact C-N 3.26Å; C61-A63 PolarHBondContact O-N 3.44Å; C61-G64 PolarHBondContact O-N 2.99Å; C61-G64 VanDerWaalsContact O-N 3.09Å; C61-V103 WeakPolarHBondContact SG-CG2 3.01Å; C61-F189 HydrophobicContact CB-CZ 4.5Å |
| 62 | A | 90 | Very high | 88.2 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.6 | -34.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L58 A59 G64 A118 F119 G144 L188 | L58-A62 WeakPolarHBondContact O-CB 3.47Å; L58-A62 PolarHBondContact O-N 2.68Å; A59-A62 PolarHBondContact O-N 2.88Å; A62-G64 VanDerWaalsContact C-N 3.3Å; A62-A118 HydrophobicContact CB-CB 4.34Å; A62-A118 WeakPolarHBondContact O-CB 3.45Å; A62-A118 PolarHBondContact O-N 2.88Å; A62-F119 HydrophobicContact CB-CD2 4.24Å; A62-F119 HydrophobicContact CB-CE2 3.52Å; A62-F119 HydrophobicContact CB-CZ 3.93Å; A62-G144 WeakPolarHBondContact O-CA 3.07Å; A62-L188 HydrophobicContact CB-CD1 4.36Å; A62-L188 HydrophobicContact CB-CD2 3.99Å |
| 63 | A | 90.1 | Very high | 89.1 | Confident | 11 Ų | 11 | 18 Ų | 18 | 9% | 0.091 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -2.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y39 A59 A60 C61 K65 A143 | Y39-A63 WeakPolarHBondContact OH-CB 3.24Å; A59-A63 WeakPolarHBondContact O-CB 3.38Å; A59-A63 PolarHBondContact O-N 3.35Å; A60-A63 PolarHBondContact O-N 3.05Å; C61-A63 VanDerWaalsContact C-N 3.26Å; C61-A63 PolarHBondContact O-N 3.44Å; A63-K65 HydrophobicContact CB-CD 4.48Å; A63-K65 HydrophobicContact CB-CG 3.96Å; A63-A143 WeakPolarHBondContact CA-O 3.47Å; A63-A143 HydrophobicContact CB-CB 4.36Å; A63-A143 WeakPolarHBondContact CB-O 3.35Å |
| 64 | G | 88.8 | Confident | 90.1 | Very high | 8 Ų | 8 | 18.9 Ų | 18.9 | 8% | 0.082 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 39.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A60 C61 A62 R107 | A60-G64 PolarHBondContact O-N 2.86Å; A60-G64 VanDerWaalsContact O-N 3.14Å; C61-G64 PolarHBondContact O-N 2.99Å; C61-G64 VanDerWaalsContact O-N 3.09Å; A62-G64 VanDerWaalsContact C-N 3.3Å; G64-R107 WeakPolarHBondContact O-CG 3.44Å |
| 65 | K | 90.8 | Very high | 90.5 | Very high | 57 Ų | 57 | 21.7 Ų | 21.7 | 25% | 0.248 | 11% | 0.11 | C | C | . | . | trans | -88.1 | 163.7 | 178 | -57.4 | -55.3 | -175.1 | 173 | 0 | 111.7 | T43 A60 A63 V67 V103 | T43-K65 WeakPolarHBondContact O-CD 3.4Å; T43-K65 WeakPolarHBondContact O-CE 3.23Å; T43-K65 PolarHBondContact O-NZ 3.41Å; A60-K65 HydrophobicContact CB-CB 4.22Å; A60-K65 PolarHBondContact O-N 2.89Å; A63-K65 HydrophobicContact CB-CD 4.48Å; A63-K65 HydrophobicContact CB-CG 3.96Å; K65-V67 PolarHBondContact O-N 3.2Å; K65-V103 WeakPolarHBondContact O-CG1 3.09Å | ||
| 66 | W | 91.5 | Very high | 90.8 | Very high | 58 Ų | 58 | 20.5 Ų | 20.5 | 22% | 0.22 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 126.4 | 170.5 | -74 | 119 | 0 | 0 | 0 | 110.2 | T44 H45 L46 V68 E85 R107 | T44-W66 PolarHBondContact O-N 3.14Å; H45-W66 CarbonylContact C-O 3.6Å; H45-W66 WeakPolarHBondContact CA-O 3.42Å; H45-W66 HydrophobicContact CB-CB 4.5Å; H45-W66 WeakPolarHBondContact CD2-CB 3.5Å; H45-W66 AromaticContact CD2-CD1 3.84Å; H45-W66 AromaticContact CD2-CG 3.84Å; H45-W66 AromaticContact CE1-CD1 3.79Å; H45-W66 AromaticContact NE2-CD1 3.34Å; H45-W66 VanDerWaalsContact NE2-CD1 3.34Å; H45-W66 AromaticContact NE2-CG 3.77Å; L46-W66 PolarHBondContact N-O 3.26Å; W66-V68 HydrophobicContact CB-CG1 4.42Å; W66-E85 HydrophobicContact CD2-CB 3.69Å; W66-E85 HydrophobicContact CD2-CG 3.92Å; W66-E85 HydrophobicContact CE3-CB 3.58Å; W66-E85 HydrophobicContact CE3-CG 4.33Å; W66-E85 HydrophobicContact CG-CB 4.33Å; W66-E85 HydrophobicContact CG-CG 4.14Å; W66-E85 HydrophobicContact CH2-CB 3.94Å; W66-E85 HydrophobicContact CZ2-CB 4.03Å; W66-E85 HydrophobicContact CZ2-CG 4.36Å; W66-E85 HydrophobicContact CZ3-CB 3.71Å; W66-E85 PolarHBondContact NE1-OE1 3.03Å; W66-R107 VanDerWaalsContact CZ3-NE 3.28Å |
| 67 | V | 91.8 | Very high | 91 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 105.3 | 174.2 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | L46 T48 F57 A60 K65 E89 V90 V103 | L46-V67 HydrophobicContact CB-CG2 4.29Å; L46-V67 HydrophobicContact CD2-CG1 4.41Å; L46-V67 HydrophobicContact CD2-CG2 4.48Å; L46-V67 WeakPolarHBondContact O-CA 3.33Å; T48-V67 HydrophobicContact CG2-CG1 3.63Å; F57-V67 HydrophobicContact CD2-CG1 3.92Å; F57-V67 HydrophobicContact CE2-CG1 3.71Å; A60-V67 HydrophobicContact CB-CG2 3.91Å; K65-V67 PolarHBondContact O-N 3.2Å; V67-E89 WeakPolarHBondContact O-CA 3.19Å; V67-V90 HydrophobicContact CG1-CB 4.34Å; V67-V90 HydrophobicContact CG1-CG2 4.1Å; V67-V90 PolarHBondContact O-N 2.91Å; V67-V103 HydrophobicContact CB-CG1 4.08Å; V67-V103 HydrophobicContact CB-CG2 4.15Å; V67-V103 HydrophobicContact CG2-CG1 3.67Å; V67-V103 HydrophobicContact CG2-CG2 4.23Å |
| 68 | V | 92 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 155.9 | -166.7 | -64 | 0 | 0 | 0 | 0 | 112.2 | L46 I47 T48 W66 Y72 E85 Y88 | L46-V68 PolarHBondContact O-N 3.04Å; I47-V68 WeakPolarHBondContact CA-O 3.35Å; I47-V68 HydrophobicContact CG1-CG2 4.24Å; T48-V68 PolarHBondContact N-O 3.49Å; W66-V68 HydrophobicContact CB-CG1 4.42Å; V68-Y72 HydrophobicContact CB-CD1 4.49Å; V68-Y72 HydrophobicContact CB-CG 4.34Å; V68-Y72 HydrophobicContact CG2-CD1 3.82Å; V68-Y72 HydrophobicContact CG2-CG 4.12Å; V68-E85 HydrophobicContact CG1-CB 4.24Å; V68-Y88 CarbonylContact C-O 3.51Å; V68-Y88 VanDerWaalsContact CA-O 3.23Å; V68-Y88 WeakPolarHBondContact CA-O 3.49Å |
| 69 | T | 91.5 | Very high | 91.2 | Very high | 34 Ų | 34 | 35.1 Ų | 35.1 | 21% | 0.209 | 17% | 0.174 | C | C | . | . | trans | -73.2 | 158.6 | 174.3 | 64.6 | 0 | 0 | 0 | 0 | 111.6 | T48 N71 Y72 Y88 V90 | T48-T69 WeakPolarHBondContact O-CA 3.36Å; T69-N71 PolarHBondContact O-N 3.42Å; T69-N71 VanDerWaalsContact O-N 3.14Å; T69-Y72 WeakPolarHBondContact O-CB 3.49Å; T69-Y72 PolarHBondContact O-N 2.89Å; T69-Y72 VanDerWaalsContact O-N 3.15Å; T69-Y88 PolarHBondContact N-O 3.39Å; T69-V90 HydrophobicContact CG2-CG2 4.02Å | ||
| 70 | P | 92.3 | Very high | 91.1 | Very high | 22 Ų | 22 | 38 Ų | 38 | 14% | 0.143 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -28.3 | 175.1 | -28.2 | 37 | 0 | 0 | 0 | 114.2 | I13 L22 I47 P49 Y72 V73 L74 | I13-P70 HydrophobicContact CD1-CG 3.98Å; L22-P70 HydrophobicContact CD1-CB 4.14Å; L22-P70 HydrophobicContact CD2-CB 4.05Å; I47-P70 HydrophobicContact CG2-CB 4.27Å; I47-P70 HydrophobicContact CG2-CG 4.01Å; P49-P70 HydrophobicContact CB-CG 4.31Å; P70-Y72 PolarHBondContact O-N 3.47Å; P70-V73 PolarHBondContact O-N 2.79Å; P70-L74 PolarHBondContact O-N 3.33Å |
| 71 | N | 91.4 | Very high | 91.1 | Very high | 81 Ų | 81 | 41 Ų | 41 | 43% | 0.433 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.3 | -28.8 | -179.8 | -69 | -4 | 0 | 0 | 0 | 112.5 | T69 V73 L74 E75 Y88 | T69-N71 PolarHBondContact O-N 3.42Å; T69-N71 VanDerWaalsContact O-N 3.14Å; N71-V73 VanDerWaalsContact C-N 3.29Å; N71-V73 PolarHBondContact O-N 3.3Å; N71-L74 PolarHBondContact O-N 3.08Å; N71-E75 WeakPolarHBondContact O-CB 3.45Å; N71-E75 WeakPolarHBondContact O-CG 3.29Å; N71-E75 PolarHBondContact O-N 3.46Å; N71-Y88 HydrophobicContact CB-CD1 4.11Å; N71-Y88 HydrophobicContact CB-CE1 4.27Å |
| 72 | Y | 94.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -51.4 | -49.2 | 175.1 | 178.4 | -118 | 0 | 0 | 0 | 112.3 | F8 V68 T69 P70 S76 W82 L83 E85 Y88 | F8-Y72 HydrophobicContact CE1-CD1 4.21Å; F8-Y72 HydrophobicContact CE1-CE1 4.04Å; F8-Y72 HydrophobicContact CZ-CE1 4.02Å; V68-Y72 HydrophobicContact CB-CD1 4.49Å; V68-Y72 HydrophobicContact CB-CG 4.34Å; V68-Y72 HydrophobicContact CG2-CD1 3.82Å; V68-Y72 HydrophobicContact CG2-CG 4.12Å; T69-Y72 WeakPolarHBondContact O-CB 3.49Å; T69-Y72 PolarHBondContact O-N 2.89Å; T69-Y72 VanDerWaalsContact O-N 3.15Å; P70-Y72 PolarHBondContact O-N 3.47Å; Y72-S76 WeakPolarHBondContact O-CB 3.36Å; Y72-S76 PolarHBondContact O-N 3.48Å; Y72-S76 VanDerWaalsContact O-N 3.11Å; Y72-S76 PolarHBondContact O-OG 2.98Å; Y72-W82 AromaticContact CE1-CE3 3.84Å; Y72-W82 HydrophobicContact CE1-CE3 3.84Å; Y72-W82 AromaticContact CE1-CZ3 4Å; Y72-W82 HydrophobicContact CE1-CZ3 4Å; Y72-W82 AromaticContact CZ-CE3 3.97Å; Y72-L83 WeakPolarHBondContact CE2-O 3.39Å; Y72-L83 PolarHBondContact OH-O 3.05Å; Y72-L83 VanDerWaalsContact OH-O 3.13Å; Y72-E85 HydrophobicContact CE1-CG 4.41Å; Y72-E85 HydrophobicContact CE2-CB 4.36Å; Y72-E85 HydrophobicContact CE2-CG 3.99Å; Y72-Y88 AromaticContact CD2-CD2 3.59Å; Y72-Y88 HydrophobicContact CD2-CD2 3.59Å; Y72-Y88 HydrophobicContact CD2-CE2 4.16Å; Y72-Y88 AromaticContact CD2-CG 3.98Å; Y72-Y88 HydrophobicContact CD2-CG 3.98Å; Y72-Y88 HydrophobicContact CE2-CD2 4.42Å; Y72-Y88 HydrophobicContact CG-CD2 4.46Å; Y72-Y88 HydrophobicContact CG-CG 4.44Å |
| 73 | V | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.2 | -45.2 | 179.6 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | F8 L22 I26 I47 P70 N71 E75 S76 M77 W82 | F8-V73 HydrophobicContact CE1-CG2 4.47Å; L22-V73 HydrophobicContact CD2-CB 3.96Å; L22-V73 HydrophobicContact CD2-CG1 4.29Å; I26-V73 HydrophobicContact CG1-CG1 4.06Å; I26-V73 HydrophobicContact CG1-CG2 4.07Å; I47-V73 HydrophobicContact CD1-CG2 3.56Å; I47-V73 HydrophobicContact CG1-CG2 4.39Å; P70-V73 PolarHBondContact O-N 2.79Å; N71-V73 VanDerWaalsContact C-N 3.29Å; N71-V73 PolarHBondContact O-N 3.3Å; V73-E75 PolarHBondContact O-N 2.88Å; V73-S76 PolarHBondContact O-N 2.62Å; V73-M77 HydrophobicContact CG1-CG 4.3Å; V73-M77 HydrophobicContact CG1-SD 4.18Å; V73-M77 WeakPolarHBondContact O-CB 3.47Å; V73-M77 WeakPolarHBondContact O-CG 3.46Å; V73-M77 PolarHBondContact O-N 3.16Å; V73-W82 HydrophobicContact CG2-CZ3 4.34Å |
| 74 | L | 92.3 | Very high | 91.5 | Very high | 58 Ų | 58 | 49.1 Ų | 49.1 | 30% | 0.304 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65 | -38.7 | -174.9 | -62.1 | 176.2 | 0 | 0 | 0 | 112.7 | V21 L22 P70 N71 M77 K78 | V21-L74 HydrophobicContact CG1-CD2 3.8Å; L22-L74 HydrophobicContact CD2-CD2 4Å; L22-L74 HydrophobicContact CD2-CG 3.99Å; P70-L74 PolarHBondContact O-N 3.33Å; N71-L74 PolarHBondContact O-N 3.08Å; L74-M77 HydrophobicContact CD2-SD 4.31Å; L74-K78 WeakPolarHBondContact O-CG 3.37Å; L74-K78 PolarHBondContact O-N 3.2Å |
| 75 | E | 92.4 | Very high | 91.6 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 36% | 0.355 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -78.8 | -36.8 | 178 | -67.5 | 179.6 | -156 | 0 | 0 | 111.4 | N71 V73 M77 K78 N79 L83 Y88 | N71-E75 WeakPolarHBondContact O-CB 3.45Å; N71-E75 WeakPolarHBondContact O-CG 3.29Å; N71-E75 PolarHBondContact O-N 3.46Å; V73-E75 PolarHBondContact O-N 2.88Å; E75-M77 VanDerWaalsContact C-N 3.26Å; E75-M77 PolarHBondContact O-N 3.45Å; E75-K78 PolarHBondContact O-N 3.11Å; E75-N79 WeakPolarHBondContact O-CB 3.49Å; E75-N79 PolarHBondContact O-N 2.92Å; E75-L83 HydrophobicContact CB-CD1 3.8Å; E75-Y88 HydrophobicContact CB-CE1 4.46Å; E75-Y88 WeakPolarHBondContact OE2-CE1 3.49Å; E75-Y88 VanDerWaalsContact OE2-CZ 3.28Å; E75-Y88 PolarHBondContact OE2-OH 3.48Å |
| 76 | S | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.3 | -37.6 | 170.2 | -62.6 | 0 | 0 | 0 | 0 | 111.9 | Y72 V73 N79 G80 S81 L83 | Y72-S76 WeakPolarHBondContact O-CB 3.36Å; Y72-S76 PolarHBondContact O-N 3.48Å; Y72-S76 VanDerWaalsContact O-N 3.11Å; Y72-S76 PolarHBondContact O-OG 2.98Å; V73-S76 PolarHBondContact O-N 2.62Å; S76-N79 PolarHBondContact O-N 2.92Å; S76-G80 PolarHBondContact O-N 3.41Å; S76-S81 WeakPolarHBondContact CA-O 3.38Å; S76-S81 WeakPolarHBondContact CB-O 3.35Å; S76-S81 PolarHBondContact O-N 2.87Å; S76-S81 VanDerWaalsContact O-O 3.09Å; S76-L83 PolarHBondContact OG-N 3.27Å |
| 77 | M | 92.1 | Very high | 91.1 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 26% | 0.261 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 175.1 | -75.8 | 171.7 | 75.4 | 0 | 0 | 111.7 | G25 L29 V73 L74 E75 N79 G80 | G25-M77 WeakPolarHBondContact CA-SD 3.43Å; L29-M77 HydrophobicContact CD1-CG 3.9Å; L29-M77 HydrophobicContact CG-CG 4.36Å; V73-M77 HydrophobicContact CG1-CG 4.3Å; V73-M77 HydrophobicContact CG1-SD 4.18Å; V73-M77 WeakPolarHBondContact O-CB 3.47Å; V73-M77 WeakPolarHBondContact O-CG 3.46Å; V73-M77 PolarHBondContact O-N 3.16Å; L74-M77 HydrophobicContact CD2-SD 4.31Å; E75-M77 VanDerWaalsContact C-N 3.26Å; E75-M77 PolarHBondContact O-N 3.45Å; M77-N79 VanDerWaalsContact C-N 3.28Å; M77-N79 PolarHBondContact O-N 3.27Å; M77-G80 PolarHBondContact O-N 2.79Å |
| 78 | K | 89.9 | Confident | 91 | Very high | 185 Ų | 185 | 53.3 Ų | 53.3 | 80% | 0.804 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.6 | -36 | 176.5 | -72.2 | 178 | -179.8 | -178.2 | 0 | 111.6 | L74 E75 G80 | L74-K78 WeakPolarHBondContact O-CG 3.37Å; L74-K78 PolarHBondContact O-N 3.2Å; E75-K78 PolarHBondContact O-N 3.11Å; K78-G80 VanDerWaalsContact C-N 3.32Å |
| 79 | N | 90.4 | Very high | 90.8 | Very high | 94 Ų | 94 | 53.6 Ų | 53.6 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -75.7 | -18.6 | 177.9 | -168.6 | 67.9 | 0 | 0 | 0 | 113.4 | E75 S76 M77 S81 L83 | E75-N79 WeakPolarHBondContact O-CB 3.49Å; E75-N79 PolarHBondContact O-N 2.92Å; S76-N79 PolarHBondContact O-N 2.92Å; M77-N79 VanDerWaalsContact C-N 3.28Å; M77-N79 PolarHBondContact O-N 3.27Å; N79-S81 VanDerWaalsContact C-N 3.27Å; N79-S81 PolarHBondContact ND2-OG 2.71Å; N79-S81 VanDerWaalsContact ND2-OG 3.08Å; N79-S81 PolarHBondContact O-N 2.97Å; N79-L83 HydrophobicContact CB-CD1 4.41Å; N79-L83 HydrophobicContact CB-CD2 4.04Å; N79-L83 HydrophobicContact CB-CG 4.24Å |
| 80 | G | 87.5 | Confident | 90.4 | Very high | 61 Ų | 61 | 52.3 Ų | 52.3 | 63% | 0.629 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 1.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S76 M77 K78 | S76-G80 PolarHBondContact O-N 3.41Å; M77-G80 PolarHBondContact O-N 2.79Å; K78-G80 VanDerWaalsContact C-N 3.32Å |
| 81 | S | 91.3 | Very high | 89.5 | Confident | 62 Ų | 62 | 52.3 Ų | 52.3 | 43% | 0.434 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -151.5 | 161.5 | 175.9 | 72.7 | 0 | 0 | 0 | 0 | 110.9 | S76 N79 L83 | S76-S81 WeakPolarHBondContact CA-O 3.38Å; S76-S81 WeakPolarHBondContact CB-O 3.35Å; S76-S81 PolarHBondContact O-N 2.87Å; S76-S81 VanDerWaalsContact O-O 3.09Å; N79-S81 VanDerWaalsContact C-N 3.27Å; N79-S81 PolarHBondContact ND2-OG 2.71Å; N79-S81 VanDerWaalsContact ND2-OG 3.08Å; N79-S81 PolarHBondContact O-N 2.97Å; S81-L83 PolarHBondContact O-N 3.21Å |
| 82 | W | 92.9 | Very high | 88.2 | Confident | 54 Ų | 54 | 49.6 Ų | 49.6 | 21% | 0.205 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 124.5 | 174.5 | -64.3 | 111.7 | 0 | 0 | 0 | 111.3 | H6 F8 I26 L29 Y72 V73 | H6-W82 HydrophobicContact CB-CZ2 4.31Å; H6-W82 AromaticContact CD2-CD2 3.96Å; H6-W82 AromaticContact CE1-CD1 3.96Å; H6-W82 AromaticContact CG-NE1 3.96Å; H6-W82 AromaticContact ND1-CD1 3.97Å; H6-W82 AromaticContact NE2-CG 3.89Å; F8-W82 AromaticContact CE2-CH2 3.41Å; F8-W82 HydrophobicContact CE2-CH2 3.41Å; F8-W82 VanDerWaalsContact CE2-CH2 3.41Å; F8-W82 AromaticContact CE2-CZ2 3.77Å; F8-W82 HydrophobicContact CE2-CZ2 3.77Å; F8-W82 HydrophobicContact CE2-CZ3 4.03Å; F8-W82 HydrophobicContact CZ-CE3 4.31Å; F8-W82 AromaticContact CZ-CH2 3.5Å; F8-W82 HydrophobicContact CZ-CH2 3.5Å; F8-W82 HydrophobicContact CZ-CZ2 4.15Å; F8-W82 AromaticContact CZ-CZ3 3.6Å; F8-W82 HydrophobicContact CZ-CZ3 3.6Å; I26-W82 HydrophobicContact CG1-CH2 4.44Å; L29-W82 HydrophobicContact CB-CD2 4.14Å; L29-W82 HydrophobicContact CB-CH2 3.8Å; L29-W82 HydrophobicContact CB-CZ2 3.32Å; L29-W82 HydrophobicContact CB-CZ3 4.37Å; L29-W82 HydrophobicContact CD1-CD2 4.22Å; L29-W82 HydrophobicContact CD1-CE3 3.84Å; L29-W82 HydrophobicContact CD1-CH2 3.69Å; L29-W82 HydrophobicContact CD1-CZ2 4.07Å; L29-W82 HydrophobicContact CD1-CZ3 3.56Å; L29-W82 HydrophobicContact CG-CH2 4.42Å; L29-W82 HydrophobicContact CG-CZ2 4.36Å; L29-W82 PolarHBondContact O-NE1 3.49Å; Y72-W82 AromaticContact CE1-CE3 3.84Å; Y72-W82 HydrophobicContact CE1-CE3 3.84Å; Y72-W82 AromaticContact CE1-CZ3 4Å; Y72-W82 HydrophobicContact CE1-CZ3 4Å; Y72-W82 AromaticContact CZ-CE3 3.97Å; V73-W82 HydrophobicContact CG2-CZ3 4.34Å |
| 83 | L | 92.3 | Very high | 86.5 | Confident | 39 Ų | 39 | 56.2 Ų | 56.2 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 169 | 172 | -68.9 | 173.1 | 0 | 0 | 0 | 110.7 | Y72 E75 S76 N79 S81 Y88 | Y72-L83 WeakPolarHBondContact CE2-O 3.39Å; Y72-L83 PolarHBondContact OH-O 3.05Å; Y72-L83 VanDerWaalsContact OH-O 3.13Å; E75-L83 HydrophobicContact CB-CD1 3.8Å; S76-L83 PolarHBondContact OG-N 3.27Å; N79-L83 HydrophobicContact CB-CD1 4.41Å; N79-L83 HydrophobicContact CB-CD2 4.04Å; N79-L83 HydrophobicContact CB-CG 4.24Å; S81-L83 PolarHBondContact O-N 3.21Å; L83-Y88 HydrophobicContact CB-CE2 4.25Å; L83-Y88 HydrophobicContact CD1-CE2 4.45Å; L83-Y88 WeakPolarHBondContact CD1-OH 3.28Å |
| 84 | P | 90.6 | Very high | 84.6 | Confident | 88 Ų | 88 | 58.3 Ų | 58.3 | 57% | 0.571 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 137.4 | 171.3 | -22.1 | 34 | 0 | 0 | 0 | 112 | G86 P87 Y88 | P84-G86 PolarHBondContact O-N 2.97Å; P84-P87 WeakPolarHBondContact O-CD 3.44Å; P84-Y88 VanDerWaalsContact O-CD2 3.32Å; P84-Y88 WeakPolarHBondContact O-CD2 3.32Å |
| 85 | E | 90.7 | Very high | 82.4 | Confident | 42 Ų | 42 | 61 Ų | 61 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -73.6 | -29.1 | -173.7 | -57.3 | 91.5 | 145.6 | 0 | 0 | 113.5 | H45 W66 V68 Y72 Y88 E89 | H45-E85 IonicContact NE2-OE1 3.87Å; H45-E85 PolarHBondContact NE2-OE1 3.43Å; W66-E85 HydrophobicContact CD2-CB 3.69Å; W66-E85 HydrophobicContact CD2-CG 3.92Å; W66-E85 HydrophobicContact CE3-CB 3.58Å; W66-E85 HydrophobicContact CE3-CG 4.33Å; W66-E85 HydrophobicContact CG-CB 4.33Å; W66-E85 HydrophobicContact CG-CG 4.14Å; W66-E85 HydrophobicContact CH2-CB 3.94Å; W66-E85 HydrophobicContact CZ2-CB 4.03Å; W66-E85 HydrophobicContact CZ2-CG 4.36Å; W66-E85 HydrophobicContact CZ3-CB 3.71Å; W66-E85 PolarHBondContact NE1-OE1 3.03Å; V68-E85 HydrophobicContact CG1-CB 4.24Å; Y72-E85 HydrophobicContact CE1-CG 4.41Å; Y72-E85 HydrophobicContact CE2-CB 4.36Å; Y72-E85 HydrophobicContact CE2-CG 3.99Å; E85-Y88 CarbonylContact O-C 3.59Å; E85-Y88 PolarHBondContact O-N 3.4Å; E85-E89 PolarHBondContact O-N 2.94Å |
| 86 | G | 85.3 | Confident | 80.3 | Confident | 28 Ų | 28 | 61.8 Ų | 61.8 | 29% | 0.289 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -52.3 | -49.5 | -170 | 0 | 0 | 0 | 0 | 0 | 115.5 | P84 Y88 E89 | P84-G86 PolarHBondContact O-N 2.97Å; G86-Y88 PolarHBondContact O-N 3.11Å; G86-E89 WeakPolarHBondContact O-CB 3.45Å; G86-E89 PolarHBondContact O-N 3.21Å |
| 87 | P | 87 | Confident | 78.2 | Confident | 108 Ų | 108 | 66 Ų | 66 | 70% | 0.701 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -63.2 | -19.7 | 178.1 | -23.5 | 34.9 | 0 | 0 | 0 | 114.3 | P84 | P84-P87 WeakPolarHBondContact O-CD 3.44Š|
| 88 | Y | 88.4 | Confident | 76.3 | Confident | 33 Ų | 33 | 66.4 Ų | 66.4 | 13% | 0.129 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -103.7 | 2.1 | -176.5 | -53.6 | -84.5 | 0 | 0 | 0 | 112.9 | V68 T69 N71 Y72 E75 L83 P84 E85 G86 | V68-Y88 CarbonylContact C-O 3.51Å; V68-Y88 VanDerWaalsContact CA-O 3.23Å; V68-Y88 WeakPolarHBondContact CA-O 3.49Å; T69-Y88 PolarHBondContact N-O 3.39Å; N71-Y88 HydrophobicContact CB-CD1 4.11Å; N71-Y88 HydrophobicContact CB-CE1 4.27Å; Y72-Y88 AromaticContact CD2-CD2 3.59Å; Y72-Y88 HydrophobicContact CD2-CD2 3.59Å; Y72-Y88 HydrophobicContact CD2-CE2 4.16Å; Y72-Y88 AromaticContact CD2-CG 3.98Å; Y72-Y88 HydrophobicContact CD2-CG 3.98Å; Y72-Y88 HydrophobicContact CE2-CD2 4.42Å; Y72-Y88 HydrophobicContact CG-CD2 4.46Å; Y72-Y88 HydrophobicContact CG-CG 4.44Å; E75-Y88 HydrophobicContact CB-CE1 4.46Å; E75-Y88 WeakPolarHBondContact OE2-CE1 3.49Å; E75-Y88 VanDerWaalsContact OE2-CZ 3.28Å; E75-Y88 PolarHBondContact OE2-OH 3.48Å; L83-Y88 HydrophobicContact CB-CE2 4.25Å; L83-Y88 HydrophobicContact CD1-CE2 4.45Å; L83-Y88 WeakPolarHBondContact CD1-OH 3.28Å; P84-Y88 VanDerWaalsContact O-CD2 3.32Å; P84-Y88 WeakPolarHBondContact O-CD2 3.32Å; E85-Y88 CarbonylContact O-C 3.59Å; E85-Y88 PolarHBondContact O-N 3.4Å; G86-Y88 PolarHBondContact O-N 3.11Å |
| 89 | E | 87.8 | Confident | 74.8 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 3% | 0.033 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -65.6 | 136.8 | 178 | -166.3 | 165.8 | -155.6 | 0 | 0 | 110.5 | V67 E85 G86 A91 Y101 R107 | V67-E89 WeakPolarHBondContact O-CA 3.19Å; E85-E89 PolarHBondContact O-N 2.94Å; G86-E89 WeakPolarHBondContact O-CB 3.45Å; G86-E89 PolarHBondContact O-N 3.21Å; E89-A91 PolarHBondContact O-N 3.19Å; E89-Y101 HydrophobicContact CB-CD1 4.39Å; E89-Y101 HydrophobicContact CG-CD1 4.43Å; E89-R107 IonicContact OE1-CZ 2.82Å; E89-R107 IonicContact OE1-NE 2.75Å; E89-R107 PolarHBondContact OE1-NE 2.78Å; E89-R107 IonicContact OE1-NH2 3.15Å; E89-R107 IonicContact OE2-CZ 2.68Å; E89-R107 IonicContact OE2-NE 3.9Å; E89-R107 IonicContact OE2-NH2 3.4Å; E89-R107 PolarHBondContact OE2-NH2 3.49Å |
| 90 | V | 83.1 | Confident | 73.7 | Confident | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.036 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 121.8 | -173.1 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | T48 V51 V67 T69 | T48-V90 HydrophobicContact CG2-CG2 3.84Å; V51-V90 HydrophobicContact CG2-CG1 3.56Å; V67-V90 HydrophobicContact CG1-CB 4.34Å; V67-V90 HydrophobicContact CG1-CG2 4.1Å; V67-V90 PolarHBondContact O-N 2.91Å; T69-V90 HydrophobicContact CG2-CG2 4.02Å |
| 91 | A | 74.4 | Confident | 72.9 | Confident | 23 Ų | 23 | 59 Ų | 59 | 19% | 0.19 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -95.5 | 153.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | E89 F93 A99 Y101 | E89-A91 PolarHBondContact O-N 3.19Å; A91-F93 HydrophobicContact CB-CE2 4.42Å; A91-F93 HydrophobicContact CB-CZ 4.37Å; A91-A99 HydrophobicContact CB-CB 4.3Å; A91-Y101 HydrophobicContact CB-CD1 3.96Å; A91-Y101 HydrophobicContact CB-CE1 3.57Å; A91-Y101 HydrophobicContact CB-CE2 4.46Å |
| 92 | I | 63.8 | Low | 71.5 | Confident | 23 Ų | 23 | 56 Ų | 56 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.4 | 163.1 | -63.8 | 172.8 | 0 | 0 | 0 | 107.9 | V51 F100 P102 L194 | V51-I92 HydrophobicContact CG1-CG1 4.48Å; V51-I92 HydrophobicContact CG2-CD1 4.49Å; V51-I92 HydrophobicContact CG2-CG1 3.7Å; I92-F100 HydrophobicContact CB-CB 4.46Å; I92-F100 HydrophobicContact CB-CD1 4.33Å; I92-F100 HydrophobicContact CD1-CD1 4.14Å; I92-F100 PolarHBondContact N-O 3.05Å; I92-F100 PolarHBondContact O-N 2.99Å; I92-P102 HydrophobicContact CD1-CB 3.95Å; I92-P102 HydrophobicContact CD1-CG 3.46Å; I92-P102 VanDerWaalsContact CD1-CG 3.46Å; I92-P102 HydrophobicContact CG1-CG 3.89Å; I92-L194 HydrophobicContact CD1-CD1 3.74Å; I92-L194 HydrophobicContact CD1-CD2 4.34Å; I92-L194 HydrophobicContact CD1-CG 4.19Å |
| 93 | F | 58.8 | Low | 70.4 | Confident | 141 Ų | 141 | 53.5 Ų | 53.5 | 62% | 0.618 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 120.4 | 170.9 | -61.7 | -81 | 0 | 0 | 0 | 109.4 | A91 A99 | A91-F93 HydrophobicContact CB-CE2 4.42Å; A91-F93 HydrophobicContact CB-CZ 4.37Å; F93-A99 HydrophobicContact CD1-CB 4.45Å; F93-A99 HydrophobicContact CE1-CB 4.09Å |
| 94 | T | 52.3 | Low | 69.8 | Low | 43 Ų | 43 | 56.7 Ų | 56.7 | 26% | 0.264 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 162.6 | 168.8 | 63 | 0 | 0 | 0 | 0 | 109.7 | S96 S97 | T94-S96 PolarHBondContact O-N 3.44Å; T94-S97 PolarHBondContact O-N 3.4Å |
| 95 | S | 47.4 | Very low | 69.4 | Low | 114 Ų | 114 | 55.5 Ų | 55.5 | 80% | 0.797 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -20.9 | 177.3 | 44.5 | 0 | 0 | 0 | 0 | 113.7 | S97 K209 | S95-S97 PolarHBondContact O-N 3.05Å; S95-K209 WeakPolarHBondContact O-CE 3.49Å; S95-K209 PolarHBondContact O-NZ 3.15Å |
| 96 | S | 48 | Very low | 69.2 | Low | 94 Ų | 94 | 54.6 Ų | 54.6 | 66% | 0.657 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 5.1 | 177.8 | -171.2 | 0 | 0 | 0 | 0 | 116.4 | T94 A98 | T94-S96 PolarHBondContact O-N 3.44Å; S96-A98 PolarHBondContact O-N 3.43Å; S96-A98 VanDerWaalsContact O-N 3.12Å |
| 97 | S | 47.2 | Very low | 69.3 | Low | 87 Ų | 87 | 54.3 Ų | 54.3 | 61% | 0.608 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 64.7 | 2.8 | -179.9 | -104.2 | 0 | 0 | 0 | 0 | 117.7 | T94 S95 K209 | T94-S97 PolarHBondContact O-N 3.4Å; S95-S97 PolarHBondContact O-N 3.05Å; S97-K209 VanDerWaalsContact CB-NZ 3.3Å; S97-K209 PolarHBondContact OG-NZ 3.39Å |
| 98 | A | 52.7 | Low | 69.3 | Low | 62 Ų | 62 | 52 Ų | 52 | 51% | 0.512 | 29% | 0.289 | S | S | . | . | trans | -85.2 | 124.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S96 F100 | S96-A98 PolarHBondContact O-N 3.43Å; S96-A98 VanDerWaalsContact O-N 3.12Å; A98-F100 PolarHBondContact O-N 3.2Å | ||
| 99 | A | 58.8 | Low | 69.2 | Low | 45 Ų | 45 | 54.3 Ų | 54.3 | 37% | 0.372 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 114.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A91 F93 Y101 | A91-A99 HydrophobicContact CB-CB 4.3Å; F93-A99 HydrophobicContact CD1-CB 4.45Å; F93-A99 HydrophobicContact CE1-CB 4.09Å; A99-Y101 HydrophobicContact CB-CE2 3.86Å |
| 100 | F | 66.6 | Low | 69.1 | Low | 58 Ų | 58 | 55.8 Ų | 55.8 | 25% | 0.254 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.2 | 175.2 | 176.9 | -116.5 | 0 | 0 | 0 | 109.7 | I92 A98 P102 | I92-F100 HydrophobicContact CB-CB 4.46Å; I92-F100 HydrophobicContact CB-CD1 4.33Å; I92-F100 HydrophobicContact CD1-CD1 4.14Å; I92-F100 PolarHBondContact N-O 3.05Å; I92-F100 PolarHBondContact O-N 2.99Å; A98-F100 PolarHBondContact O-N 3.2Å; F100-P102 HydrophobicContact CD1-CB 4.09Å; F100-P102 HydrophobicContact CE1-CB 3.59Å; F100-P102 HydrophobicContact CZ-CB 4.24Å; F100-P102 WeakPolarHBondContact O-CD 3.43Å |
| 101 | Y | 70.8 | Confident | 69.1 | Low | 82 Ų | 82 | 60.6 Ų | 60.6 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | trans | -104 | 84.5 | 179 | -65 | -92.4 | 0 | 0 | 0 | 109.6 | E89 A91 A99 V103 R104 | E89-Y101 HydrophobicContact CB-CD1 4.39Å; E89-Y101 HydrophobicContact CG-CD1 4.43Å; A91-Y101 HydrophobicContact CB-CD1 3.96Å; A91-Y101 HydrophobicContact CB-CE1 3.57Å; A91-Y101 HydrophobicContact CB-CE2 4.46Å; A99-Y101 HydrophobicContact CB-CE2 3.86Å; Y101-V103 PolarHBondContact O-N 2.73Å; Y101-V103 VanDerWaalsContact O-N 3.14Å; Y101-R104 WeakPolarHBondContact O-CB 3.45Å; Y101-R104 PolarHBondContact O-N 2.73Å | ||
| 102 | P | 62.2 | Low | 69.6 | Low | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -25.7 | -170.4 | 28.7 | -41 | 0 | 0 | 0 | 114.3 | I92 F100 Q105 F189 | I92-P102 HydrophobicContact CD1-CB 3.95Å; I92-P102 HydrophobicContact CD1-CG 3.46Å; I92-P102 VanDerWaalsContact CD1-CG 3.46Å; I92-P102 HydrophobicContact CG1-CG 3.89Å; F100-P102 HydrophobicContact CD1-CB 4.09Å; F100-P102 HydrophobicContact CE1-CB 3.59Å; F100-P102 HydrophobicContact CZ-CB 4.24Å; F100-P102 WeakPolarHBondContact O-CD 3.43Å; P102-Q105 WeakPolarHBondContact O-CG 3.46Å; P102-Q105 PolarHBondContact O-NE2 2.97Å; P102-F189 HydrophobicContact CB-CD1 3.35Å; P102-F189 HydrophobicContact CB-CE1 3.52Å; P102-F189 HydrophobicContact CG-CD1 4.22Å; P102-F189 HydrophobicContact CG-CE1 4.01Å |
| 103 | V | 69.2 | Low | 70.5 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -34.5 | -177.7 | -168.5 | 0 | 0 | 0 | 0 | 110.5 | C61 K65 V67 Y101 Q105 W106 R107 | C61-V103 WeakPolarHBondContact SG-CG2 3.01Å; K65-V103 WeakPolarHBondContact O-CG1 3.09Å; V67-V103 HydrophobicContact CB-CG1 4.08Å; V67-V103 HydrophobicContact CB-CG2 4.15Å; V67-V103 HydrophobicContact CG2-CG1 3.67Å; V67-V103 HydrophobicContact CG2-CG2 4.23Å; Y101-V103 PolarHBondContact O-N 2.73Å; Y101-V103 VanDerWaalsContact O-N 3.14Å; V103-Q105 VanDerWaalsContact C-N 3.33Å; V103-Q105 PolarHBondContact O-N 3.07Å; V103-W106 PolarHBondContact O-N 2.98Å; V103-R107 WeakPolarHBondContact O-CB 3.35Å; V103-R107 PolarHBondContact O-N 3.5Å |
| 104 | R | 81.4 | Confident | 71.7 | Confident | 105 Ų | 105 | 67.5 Ų | 67.5 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.1 | -41.2 | -174.8 | -177.9 | 161.5 | -173.6 | 173.4 | 4.7 | 112.2 | Y101 W106 R107 E108 | Y101-R104 WeakPolarHBondContact O-CB 3.45Å; Y101-R104 PolarHBondContact O-N 2.73Å; R104-W106 VanDerWaalsContact C-N 3.31Å; R104-W106 PolarHBondContact O-N 3.45Å; R104-R107 PolarHBondContact O-N 2.94Å; R104-E108 HydrophobicContact CG-CG 4.07Å; R104-E108 VanDerWaalsContact CG-OE1 3.23Å; R104-E108 WeakPolarHBondContact CG-OE1 3.39Å; R104-E108 IonicContact CZ-OE1 2.87Å; R104-E108 IonicContact NE-OE1 3.66Å; R104-E108 PolarHBondContact NE-OE1 3.41Å; R104-E108 IonicContact NH2-OE1 2.89Å; R104-E108 VanDerWaalsContact O-CB 3.3Å; R104-E108 WeakPolarHBondContact O-CB 3.39Å; R104-E108 VanDerWaalsContact O-CG 3.29Å; R104-E108 WeakPolarHBondContact O-CG 3.29Å; R104-E108 PolarHBondContact O-N 2.83Å |
| 105 | Q | 81.5 | Confident | 73.3 | Confident | 64 Ų | 64 | 67.2 Ų | 67.2 | 30% | 0.299 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.1 | -40.5 | 178.8 | 71.7 | -177.7 | -34.3 | 0 | 0 | 112.8 | P102 V103 K109 L188 | P102-Q105 WeakPolarHBondContact O-CG 3.46Å; P102-Q105 PolarHBondContact O-NE2 2.97Å; V103-Q105 VanDerWaalsContact C-N 3.33Å; V103-Q105 PolarHBondContact O-N 3.07Å; Q105-K109 WeakPolarHBondContact O-CD 3.44Å; Q105-K109 WeakPolarHBondContact O-CG 3.32Å; Q105-K109 PolarHBondContact O-N 2.79Å; Q105-L188 PolarHBondContact NE2-O 3Å |
| 106 | W | 86.4 | Confident | 75.1 | Confident | 23 Ų | 23 | 65.5 Ų | 65.5 | 9% | 0.087 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -80.3 | -42.5 | -177.6 | -67 | 111.1 | 0 | 0 | 0 | 110.2 | V103 R104 E108 K109 V110 I115 A118 H187 L188 | V103-W106 PolarHBondContact O-N 2.98Å; R104-W106 VanDerWaalsContact C-N 3.31Å; R104-W106 PolarHBondContact O-N 3.45Å; W106-E108 PolarHBondContact O-N 3.27Å; W106-K109 PolarHBondContact O-N 3.16Å; W106-V110 WeakPolarHBondContact O-CB 3.29Å; W106-V110 VanDerWaalsContact O-CG2 3.25Å; W106-V110 WeakPolarHBondContact O-CG2 3.3Å; W106-V110 PolarHBondContact O-N 3.32Å; W106-I115 HydrophobicContact CE3-CD1 3.56Å; W106-I115 HydrophobicContact CZ3-CD1 3.74Å; W106-A118 HydrophobicContact CD2-CB 3.61Å; W106-A118 HydrophobicContact CE3-CB 3.53Å; W106-A118 HydrophobicContact CG-CB 4.19Å; W106-A118 HydrophobicContact CH2-CB 4.18Å; W106-A118 HydrophobicContact CZ2-CB 4.26Å; W106-A118 HydrophobicContact CZ3-CB 3.83Å; W106-H187 AromaticContact CH2-NE2 3.6Å; W106-H187 WeakPolarHBondContact CZ2-O 3.3Å; W106-L188 PolarHBondContact NE1-O 3.19Å |
| 107 | R | 88.3 | Confident | 77 | Confident | 22 Ų | 22 | 61 Ų | 61 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 174.9 | -178.6 | -175.9 | 59.2 | 69.7 | -5.5 | 112 | G64 W66 E89 V103 R104 V110 T111 | G64-R107 WeakPolarHBondContact O-CG 3.44Å; W66-R107 VanDerWaalsContact CZ3-NE 3.28Å; E89-R107 IonicContact OE1-CZ 2.82Å; E89-R107 IonicContact OE1-NE 2.75Å; E89-R107 PolarHBondContact OE1-NE 2.78Å; E89-R107 IonicContact OE1-NH2 3.15Å; E89-R107 IonicContact OE2-CZ 2.68Å; E89-R107 IonicContact OE2-NE 3.9Å; E89-R107 IonicContact OE2-NH2 3.4Å; E89-R107 PolarHBondContact OE2-NH2 3.49Å; V103-R107 WeakPolarHBondContact O-CB 3.35Å; V103-R107 PolarHBondContact O-N 3.5Å; R104-R107 PolarHBondContact O-N 2.94Å; R107-V110 PolarHBondContact O-N 2.69Å; R107-T111 VanDerWaalsContact O-CB 3.32Å; R107-T111 WeakPolarHBondContact O-CB 3.39Å; R107-T111 PolarHBondContact O-N 3.28Å; R107-T111 PolarHBondContact O-OG1 2.87Å |
| 108 | E | 86.7 | Confident | 78.9 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 28% | 0.276 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 179.4 | -75 | -178.7 | -176.9 | 0 | 0 | 111.8 | R104 W106 V110 T111 K112 | R104-E108 HydrophobicContact CG-CG 4.07Å; R104-E108 VanDerWaalsContact CG-OE1 3.23Å; R104-E108 WeakPolarHBondContact CG-OE1 3.39Å; R104-E108 IonicContact CZ-OE1 2.87Å; R104-E108 IonicContact NE-OE1 3.66Å; R104-E108 PolarHBondContact NE-OE1 3.41Å; R104-E108 IonicContact NH2-OE1 2.89Å; R104-E108 VanDerWaalsContact O-CB 3.3Å; R104-E108 WeakPolarHBondContact O-CB 3.39Å; R104-E108 VanDerWaalsContact O-CG 3.29Å; R104-E108 WeakPolarHBondContact O-CG 3.29Å; R104-E108 PolarHBondContact O-N 2.83Å; W106-E108 PolarHBondContact O-N 3.27Å; E108-V110 VanDerWaalsContact C-N 3.32Å; E108-V110 PolarHBondContact O-N 3.42Å; E108-T111 PolarHBondContact O-N 3.14Å; E108-K112 VanDerWaalsContact O-CB 3.27Å; E108-K112 WeakPolarHBondContact O-CB 3.07Å; E108-K112 WeakPolarHBondContact O-CG 3.33Å; E108-K112 PolarHBondContact O-N 3.16Å |
| 109 | K | 85.2 | Confident | 80.8 | Confident | 82 Ų | 82 | 54.2 Ų | 54.2 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 174.8 | -70.8 | 175.3 | -179.9 | -179.1 | 0 | 112.1 | Q105 W106 G113 Q114 I115 | Q105-K109 WeakPolarHBondContact O-CD 3.44Å; Q105-K109 WeakPolarHBondContact O-CG 3.32Å; Q105-K109 PolarHBondContact O-N 2.79Å; W106-K109 PolarHBondContact O-N 3.16Å; K109-G113 PolarHBondContact O-N 3.29Å; K109-Q114 WeakPolarHBondContact O-CB 3.49Å; K109-Q114 PolarHBondContact O-N 2.86Å; K109-I115 HydrophobicContact CB-CD1 3.62Å; K109-I115 HydrophobicContact CB-CG1 3.75Å; K109-I115 HydrophobicContact CD-CD1 4.06Å; K109-I115 HydrophobicContact CG-CD1 4.5Å; K109-I115 PolarHBondContact O-N 2.82Å |
| 110 | V | 86.6 | Confident | 82.2 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.2 | -42.9 | 175.9 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | W106 R107 E108 G113 I115 | W106-V110 WeakPolarHBondContact O-CB 3.29Å; W106-V110 VanDerWaalsContact O-CG2 3.25Å; W106-V110 WeakPolarHBondContact O-CG2 3.3Å; W106-V110 PolarHBondContact O-N 3.32Å; R107-V110 PolarHBondContact O-N 2.69Å; E108-V110 VanDerWaalsContact C-N 3.32Å; E108-V110 PolarHBondContact O-N 3.42Å; V110-G113 PolarHBondContact O-N 3.17Å; V110-G113 VanDerWaalsContact O-N 3.11Å; V110-I115 VanDerWaalsContact CA-O 3.31Å; V110-I115 WeakPolarHBondContact CA-O 3.23Å; V110-I115 HydrophobicContact CG2-CD1 4.39Å; V110-I115 HydrophobicContact CG2-CG1 3.88Å |
| 111 | T | 83.4 | Confident | 83 | Confident | 107 Ų | 107 | 56.6 Ų | 56.6 | 66% | 0.656 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -69.6 | -35.8 | -178.7 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | R107 E108 G113 | R107-T111 VanDerWaalsContact O-CB 3.32Å; R107-T111 WeakPolarHBondContact O-CB 3.39Å; R107-T111 PolarHBondContact O-N 3.28Å; R107-T111 PolarHBondContact O-OG1 2.87Å; E108-T111 PolarHBondContact O-N 3.14Å; T111-G113 PolarHBondContact O-N 2.75Å |
| 112 | K | 85.1 | Confident | 84 | Confident | 141 Ų | 141 | 53.9 Ų | 53.9 | 61% | 0.613 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -1.1 | 173.3 | -69.4 | 172.9 | -178.4 | 174.9 | 0 | 113.3 | E108 Q114 | E108-K112 VanDerWaalsContact O-CB 3.27Å; E108-K112 WeakPolarHBondContact O-CB 3.07Å; E108-K112 WeakPolarHBondContact O-CG 3.33Å; E108-K112 PolarHBondContact O-N 3.16Å; K112-Q114 HydrophobicContact CB-CG 4.08Å; K112-Q114 PolarHBondContact O-N 2.93Å |
| 113 | G | 81.9 | Confident | 85.1 | Confident | 63 Ų | 63 | 57.8 Ų | 57.8 | 65% | 0.649 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 11.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | K109 V110 T111 | K109-G113 PolarHBondContact O-N 3.29Å; V110-G113 PolarHBondContact O-N 3.17Å; V110-G113 VanDerWaalsContact O-N 3.11Å; T111-G113 PolarHBondContact O-N 2.75Å |
| 114 | Q | 84.9 | Confident | 86 | Confident | 128 Ų | 128 | 57.7 Ų | 57.7 | 60% | 0.598 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -72.2 | -33.7 | -178.9 | -65.6 | -179.6 | -27.7 | 0 | 0 | 112 | K109 K112 | K109-Q114 WeakPolarHBondContact O-CB 3.49Å; K109-Q114 PolarHBondContact O-N 2.86Å; K112-Q114 HydrophobicContact CB-CG 4.08Å; K112-Q114 PolarHBondContact O-N 2.93Å |
| 115 | I | 86 | Confident | 86.1 | Confident | 38 Ų | 38 | 52.9 Ų | 52.9 | 20% | 0.195 | 29% | 0.287 | C | S | . | . | trans | -141.8 | 165.7 | 173.7 | 64.7 | -175.7 | 0 | 0 | 0 | 109 | W106 K109 V110 Q120 | W106-I115 HydrophobicContact CE3-CD1 3.56Å; W106-I115 HydrophobicContact CZ3-CD1 3.74Å; K109-I115 HydrophobicContact CB-CD1 3.62Å; K109-I115 HydrophobicContact CB-CG1 3.75Å; K109-I115 HydrophobicContact CD-CD1 4.06Å; K109-I115 HydrophobicContact CG-CD1 4.5Å; K109-I115 PolarHBondContact O-N 2.82Å; V110-I115 VanDerWaalsContact CA-O 3.31Å; V110-I115 WeakPolarHBondContact CA-O 3.23Å; V110-I115 HydrophobicContact CG2-CD1 4.39Å; V110-I115 HydrophobicContact CG2-CG1 3.88Å; I115-Q120 VanDerWaalsContact CA-OE1 3.27Å | ||
| 116 | T | 84.1 | Confident | 86.3 | Confident | 77 Ų | 77 | 50 Ų | 50 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -107.5 | -8.9 | -179.5 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | Q120 R145 | T116-Q120 PolarHBondContact OG1-OE1 2.76Å; T116-R145 WeakPolarHBondContact O-CG 3.21Å |
| 117 | G | 87.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 175.9 | 162.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F119 Q120 G144 | G117-F119 PolarHBondContact O-N 3.27Å; G117-Q120 WeakPolarHBondContact O-CB 3.41Å; G117-Q120 PolarHBondContact O-N 2.89Å; G117-G144 CarbonylContact C-O 3.5Å; G117-G144 VanDerWaalsContact C-O 3.29Å; G117-G144 WeakPolarHBondContact CA-O 3.27Å |
| 118 | A | 88.3 | Confident | 85.2 | Confident | 6 Ų | 6 | 52 Ų | 52 | 5% | 0.05 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -19.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A62 W106 G144 H187 L188 | A62-A118 HydrophobicContact CB-CB 4.34Å; A62-A118 WeakPolarHBondContact O-CB 3.45Å; A62-A118 PolarHBondContact O-N 2.88Å; W106-A118 HydrophobicContact CD2-CB 3.61Å; W106-A118 HydrophobicContact CE3-CB 3.53Å; W106-A118 HydrophobicContact CG-CB 4.19Å; W106-A118 HydrophobicContact CH2-CB 4.18Å; W106-A118 HydrophobicContact CZ2-CB 4.26Å; W106-A118 HydrophobicContact CZ3-CB 3.83Å; A118-G144 PolarHBondContact N-O 3.38Å; A118-H187 PolarHBondContact O-NE2 2.95Å; A118-L188 HydrophobicContact CB-CD2 3.46Å; A118-L188 VanDerWaalsContact CB-CD2 3.46Å |
| 119 | F | 91.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 23.8 | -179.6 | -45.4 | -50.1 | 0 | 0 | 0 | 111.8 | A62 G117 G121 W122 L141 G144 A146 I184 H187 L188 | A62-F119 HydrophobicContact CB-CD2 4.24Å; A62-F119 HydrophobicContact CB-CE2 3.52Å; A62-F119 HydrophobicContact CB-CZ 3.93Å; G117-F119 PolarHBondContact O-N 3.27Å; F119-G121 PolarHBondContact O-N 3.23Å; F119-W122 HydrophobicContact CB-CB 4.22Å; F119-W122 HydrophobicContact CB-CD2 3.86Å; F119-W122 HydrophobicContact CB-CE3 3.88Å; F119-W122 HydrophobicContact CB-CG 3.99Å; F119-W122 HydrophobicContact CD1-CD2 4.12Å; F119-W122 AromaticContact CD1-CE3 3.73Å; F119-W122 HydrophobicContact CD1-CE3 3.73Å; F119-W122 AromaticContact CD1-CH2 3.8Å; F119-W122 HydrophobicContact CD1-CH2 3.8Å; F119-W122 HydrophobicContact CD1-CZ2 4.18Å; F119-W122 AromaticContact CD1-CZ3 3.53Å; F119-W122 HydrophobicContact CD1-CZ3 3.53Å; F119-W122 HydrophobicContact CE1-CH2 4.14Å; F119-W122 AromaticContact CE1-CZ3 3.97Å; F119-W122 HydrophobicContact CE1-CZ3 3.97Å; F119-W122 HydrophobicContact CG-CD2 4.33Å; F119-W122 AromaticContact CG-CE3 3.94Å; F119-W122 HydrophobicContact CG-CE3 3.94Å; F119-W122 HydrophobicContact CG-CZ3 4.16Å; F119-W122 VanDerWaalsContact O-CB 3.27Å; F119-W122 WeakPolarHBondContact O-CB 3.26Å; F119-W122 PolarHBondContact O-N 2.94Å; F119-L141 HydrophobicContact CD2-CD2 4.09Å; F119-L141 HydrophobicContact CE2-CD2 4.31Å; F119-L141 HydrophobicContact CG-CD2 4.5Å; F119-G144 CarbonylContact C-O 3.51Å; F119-G144 VanDerWaalsContact C-O 3.3Å; F119-G144 VanDerWaalsContact CA-O 3.3Å; F119-G144 WeakPolarHBondContact CA-O 3.41Å; F119-G144 WeakPolarHBondContact CB-O 3.5Å; F119-G144 PolarHBondContact N-O 3.27Å; F119-A146 HydrophobicContact CB-CB 3.86Å; F119-I184 HydrophobicContact CE1-CG2 3.91Å; F119-I184 HydrophobicContact CE2-CG2 3.98Å; F119-I184 HydrophobicContact CZ-CG2 3.32Å; F119-H187 AromaticContact CD1-CD2 3.72Å; F119-H187 AromaticContact CE1-CD2 3.69Å; F119-L188 HydrophobicContact CE1-CD2 3.93Å; F119-L188 HydrophobicContact CE1-CG 3.99Å; F119-L188 HydrophobicContact CZ-CD1 3.9Å; F119-L188 HydrophobicContact CZ-CD2 3.75Å; F119-L188 HydrophobicContact CZ-CG 3.75Å |
| 120 | Q | 88.6 | Confident | 83.7 | Confident | 96 Ų | 96 | 56.7 Ų | 56.7 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 131 | 175.4 | 176 | 173.7 | -20.8 | 0 | 0 | 110.4 | I115 T116 G117 W122 G144 | I115-Q120 VanDerWaalsContact CA-OE1 3.27Å; T116-Q120 PolarHBondContact OG1-OE1 2.76Å; G117-Q120 WeakPolarHBondContact O-CB 3.41Å; G117-Q120 PolarHBondContact O-N 2.89Å; Q120-W122 VanDerWaalsContact C-N 3.3Å; Q120-G144 PolarHBondContact N-O 3.48Å |
| 121 | G | 83.6 | Confident | 83.2 | Confident | 56 Ų | 56 | 58.9 Ų | 58.9 | 58% | 0.577 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F119 R123 | F119-G121 PolarHBondContact O-N 3.23Å; G121-R123 PolarHBondContact O-N 3.41Å |
| 122 | W | 90.5 | Very high | 82.7 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | trans | -76.6 | 118.3 | 174.5 | -71.6 | 20 | 0 | 0 | 0 | 110.6 | F119 Q120 V124 L141 A146 E147 H161 M163 H187 | F119-W122 HydrophobicContact CB-CB 4.22Å; F119-W122 HydrophobicContact CB-CD2 3.86Å; F119-W122 HydrophobicContact CB-CE3 3.88Å; F119-W122 HydrophobicContact CB-CG 3.99Å; F119-W122 HydrophobicContact CD1-CD2 4.12Å; F119-W122 AromaticContact CD1-CE3 3.73Å; F119-W122 HydrophobicContact CD1-CE3 3.73Å; F119-W122 AromaticContact CD1-CH2 3.8Å; F119-W122 HydrophobicContact CD1-CH2 3.8Å; F119-W122 HydrophobicContact CD1-CZ2 4.18Å; F119-W122 AromaticContact CD1-CZ3 3.53Å; F119-W122 HydrophobicContact CD1-CZ3 3.53Å; F119-W122 HydrophobicContact CE1-CH2 4.14Å; F119-W122 AromaticContact CE1-CZ3 3.97Å; F119-W122 HydrophobicContact CE1-CZ3 3.97Å; F119-W122 HydrophobicContact CG-CD2 4.33Å; F119-W122 AromaticContact CG-CE3 3.94Å; F119-W122 HydrophobicContact CG-CE3 3.94Å; F119-W122 HydrophobicContact CG-CZ3 4.16Å; F119-W122 VanDerWaalsContact O-CB 3.27Å; F119-W122 WeakPolarHBondContact O-CB 3.26Å; F119-W122 PolarHBondContact O-N 2.94Å; Q120-W122 VanDerWaalsContact C-N 3.3Å; W122-V124 HydrophobicContact CB-CG2 3.9Å; W122-V124 HydrophobicContact CE3-CG2 4.27Å; W122-L141 HydrophobicContact CE3-CD2 4.26Å; W122-L141 HydrophobicContact CZ3-CD2 4.43Å; W122-A146 HydrophobicContact CB-CB 3.86Å; W122-A146 CarbonylContact O-C 3.59Å; W122-A146 WeakPolarHBondContact O-CA 3.42Å; W122-E147 PolarHBondContact O-N 3.07Å; W122-H161 AromaticContact CD1-CE1 3.73Å; W122-H161 AromaticContact CD2-CE1 3.84Å; W122-H161 AromaticContact CE2-CE1 3.66Å; W122-H161 AromaticContact CE2-NE2 3.73Å; W122-H161 AromaticContact CG-CE1 3.86Å; W122-H161 AromaticContact CG-ND1 3.9Å; W122-H161 AromaticContact CZ2-NE2 3.86Å; W122-H161 AromaticContact NE1-CE1 3.59Å; W122-M163 HydrophobicContact CE3-CE 3.61Å; W122-M163 HydrophobicContact CH2-CE 4.31Å; W122-M163 HydrophobicContact CZ3-CE 3.31Å; W122-H187 HydrophobicContact CH2-CB 3.8Å; W122-H187 AromaticContact CH2-CD2 3.95Å; W122-H187 AromaticContact CH2-CG 3.67Å; W122-H187 HydrophobicContact CZ2-CB 4.17Å; W122-H187 AromaticContact CZ2-CD2 3.76Å; W122-H187 AromaticContact CZ2-CE1 3.69Å; W122-H187 AromaticContact CZ2-CG 3.56Å; W122-H187 AromaticContact CZ2-ND1 3.54Å; W122-H187 AromaticContact CZ2-NE2 3.81Å | ||
| 123 | R | 86.9 | Confident | 82.4 | Confident | 81 Ų | 81 | 57.1 Ų | 57.1 | 31% | 0.306 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 105.1 | 163.9 | -64.4 | -174.4 | -70.7 | -103.4 | -0.9 | 108.8 | G121 E147 Y149 S158 T160 H161 | G121-R123 PolarHBondContact O-N 3.41Å; R123-E147 HydrophobicContact CG-CB 4.22Å; R123-E147 WeakPolarHBondContact CG-OE2 3.21Å; R123-Y149 HydrophobicContact CB-CE2 4.15Å; R123-Y149 HydrophobicContact CG-CE2 4.44Å; R123-S158 PolarHBondContact NE-O 3.35Å; R123-S158 PolarHBondContact NH2-O 2.99Å; R123-S158 PolarHBondContact NH2-OG 3.44Å; R123-T160 HydrophobicContact CB-CG2 4.26Å; R123-T160 PolarHBondContact N-OG1 2.83Å; R123-T160 PolarHBondContact O-N 3.23Å; R123-T160 PolarHBondContact O-OG1 2.9Å; R123-H161 PolarHBondContact O-N 3.04Å; R123-H161 VanDerWaalsContact O-N 3.12Å |
| 124 | V | 87 | Confident | 82.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121.6 | -168 | -174 | 0 | 0 | 0 | 0 | 111.2 | W122 L141 A146 E147 V148 Y149 H161 M163 | W122-V124 HydrophobicContact CB-CG2 3.9Å; W122-V124 HydrophobicContact CE3-CG2 4.27Å; V124-L141 HydrophobicContact CB-CD1 4.37Å; V124-L141 HydrophobicContact CG1-CD1 3.94Å; V124-L141 HydrophobicContact CG2-CD1 4.47Å; V124-L141 HydrophobicContact CG2-CD2 4.39Å; V124-A146 HydrophobicContact CG2-CB 4.21Å; V124-E147 PolarHBondContact N-O 2.89Å; V124-V148 WeakPolarHBondContact O-CA 3.49Å; V124-Y149 PolarHBondContact O-N 2.94Å; V124-H161 CarbonylContact C-O 3.6Å; V124-H161 VanDerWaalsContact CA-O 3.25Å; V124-H161 WeakPolarHBondContact CA-O 3.5Å; V124-H161 HydrophobicContact CG2-CB 4.28Å; V124-M163 HydrophobicContact CG1-CB 4Å; V124-M163 HydrophobicContact CG1-CE 4.13Å; V124-M163 HydrophobicContact CG1-CG 3.74Å; V124-M163 HydrophobicContact CG1-SD 3.68Å; V124-M163 HydrophobicContact CG2-CE 4.18Å |
| 125 | L | 84.6 | Confident | 82.3 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 110.3 | 164.2 | -179.1 | 64.7 | 0 | 0 | 0 | 108.7 | M127 I159 H161 V162 M163 L174 | L125-M127 HydrophobicContact CD2-CG 4.34Å; L125-M127 HydrophobicContact CD2-SD 4.16Å; L125-M127 HydrophobicContact CG-CG 4.09Å; L125-M127 PolarHBondContact O-N 3.37Å; L125-I159 HydrophobicContact CB-CD1 3.99Å; L125-I159 HydrophobicContact CB-CG2 4.11Å; L125-I159 HydrophobicContact CD2-CD1 4.01Å; L125-I159 HydrophobicContact CG-CD1 4.49Å; L125-H161 PolarHBondContact N-O 3.07Å; L125-V162 HydrophobicContact CB-CG2 4.43Å; L125-M163 PolarHBondContact O-N 3.36Å; L125-L174 HydrophobicContact CD2-CD2 4.1Å |
| 126 | L | 84.1 | Confident | 82.3 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 97.2 | -173.1 | -174.5 | 65.7 | 0 | 0 | 0 | 111.7 | V128 R134 F137 K138 L141 V148 Y149 M163 | L126-V128 HydrophobicContact CD1-CG2 3.69Å; L126-V128 HydrophobicContact CG-CG2 4.09Å; L126-V128 PolarHBondContact O-N 2.85Å; L126-R134 HydrophobicContact CD2-CG 3.92Å; L126-R134 WeakPolarHBondContact CD2-O 3.39Å; L126-R134 HydrophobicContact CG-CG 4.36Å; L126-F137 HydrophobicContact CD1-CB 4.23Å; L126-F137 HydrophobicContact CD2-CB 4.04Å; L126-K138 HydrophobicContact CD2-CB 4.05Å; L126-L141 HydrophobicContact CD1-CD1 4.32Å; L126-V148 HydrophobicContact CB-CG1 3.82Å; L126-V148 HydrophobicContact CD2-CG1 4.12Å; L126-Y149 PolarHBondContact N-O 3.3Å; L126-M163 HydrophobicContact CD1-CB 4.09Å |
| 127 | M | 74.9 | Confident | 82.4 | Confident | 79 Ų | 79 | 49.7 Ų | 49.7 | 39% | 0.389 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 66.2 | -178.9 | -59.4 | -175.7 | 74.2 | 0 | 0 | 111.4 | L125 V162 M163 A164 | L125-M127 HydrophobicContact CD2-CG 4.34Å; L125-M127 HydrophobicContact CD2-SD 4.16Å; L125-M127 HydrophobicContact CG-CG 4.09Å; L125-M127 PolarHBondContact O-N 3.37Å; M127-V162 HydrophobicContact CG-CG1 4.48Å; M127-V162 HydrophobicContact SD-CG1 3.88Å; M127-M163 PolarHBondContact N-O 3.37Å; M127-A164 HydrophobicContact CB-CB 4.18Å; M127-A164 WeakPolarHBondContact O-CA 3.09Å |
| 128 | V | 76.4 | Confident | 82.4 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120.2 | 175.8 | 177.2 | 0 | 0 | 0 | 0 | 109.1 | L126 R133 R134 F137 V181 | L126-V128 HydrophobicContact CD1-CG2 3.69Å; L126-V128 HydrophobicContact CG-CG2 4.09Å; L126-V128 PolarHBondContact O-N 2.85Å; V128-R133 HydrophobicContact CG1-CB 4.21Å; V128-R134 HydrophobicContact CB-CB 3.95Å; V128-R134 HydrophobicContact CB-CG 4.32Å; V128-R134 HydrophobicContact CG1-CB 4.07Å; V128-R134 WeakPolarHBondContact O-CD 3.45Å; V128-R134 PolarHBondContact O-NH1 2.86Å; V128-F137 HydrophobicContact CG2-CD2 4.43Å; V128-V181 HydrophobicContact CG2-CG2 4.12Å |
| 129 | Q | 69.6 | Low | 82.4 | Confident | 150 Ų | 150 | 56.1 Ų | 56.1 | 70% | 0.701 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -69.4 | -42.2 | -175 | -67.7 | -164.8 | -9.8 | 0 | 0 | 112.8 | R134 | Q129-R134 PolarHBondContact O-NH1 3.5Š|
| 130 | E | 72.8 | Confident | 82.4 | Confident | 91 Ų | 91 | 56.1 Ų | 56.1 | 43% | 0.425 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -66.3 | 120.2 | 179.7 | -69.7 | 179.2 | -131.8 | 0 | 0 | 112 | N132 R133 R134 | E130-N132 PolarHBondContact O-N 3.46Å; E130-R133 HydrophobicContact CB-CB 4.09Å; E130-R133 HydrophobicContact CB-CG 4.4Å; E130-R133 PolarHBondContact O-N 3.03Å; E130-R133 IonicContact OE1-CZ 2.82Å; E130-R133 IonicContact OE1-NH1 2.85Å; E130-R133 PolarHBondContact OE1-NH1 3.38Å; E130-R133 WeakPolarHBondContact OE2-CD 3.41Å; E130-R133 WeakPolarHBondContact OE2-CG 3.48Å; E130-R133 IonicContact OE2-CZ 3.13Å; E130-R133 IonicContact OE2-NE 3.58Å; E130-R133 PolarHBondContact OE2-NE 2.85Å; E130-R133 IonicContact OE2-NH1 2.66Å; E130-R134 WeakPolarHBondContact O-CB 3.24Å; E130-R134 PolarHBondContact O-N 3.38Å |
| 131 | P | 74.4 | Confident | 82.5 | Confident | 82 Ų | 82 | 51.5 Ų | 51.5 | 53% | 0.532 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | -172.9 | 24.1 | -33 | 0 | 0 | 0 | 113.5 | R134 A135 | P131-R134 PolarHBondContact O-N 3.06Å; P131-A135 WeakPolarHBondContact O-CB 3.4Å; P131-A135 PolarHBondContact O-N 3.42Å |
| 132 | N | 74.1 | Confident | 82.8 | Confident | 138 Ų | 138 | 54.4 Ų | 54.4 | 74% | 0.738 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -68.1 | -44.1 | -179.7 | -70.1 | -17.9 | 0 | 0 | 0 | 112 | E130 A135 M136 | E130-N132 PolarHBondContact O-N 3.46Å; N132-A135 PolarHBondContact O-N 3.44Å; N132-M136 PolarHBondContact O-N 3.14Å |
| 133 | R | 77.2 | Confident | 82.8 | Confident | 73 Ų | 73 | 53.8 Ų | 53.8 | 28% | 0.275 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.1 | -40.7 | 175.4 | -72 | -167.9 | 172.4 | 165.3 | -13.3 | 111.9 | V128 E130 A135 M136 F137 | V128-R133 HydrophobicContact CG1-CB 4.21Å; E130-R133 HydrophobicContact CB-CB 4.09Å; E130-R133 HydrophobicContact CB-CG 4.4Å; E130-R133 PolarHBondContact O-N 3.03Å; E130-R133 IonicContact OE1-CZ 2.82Å; E130-R133 IonicContact OE1-NH1 2.85Å; E130-R133 PolarHBondContact OE1-NH1 3.38Å; E130-R133 WeakPolarHBondContact OE2-CD 3.41Å; E130-R133 WeakPolarHBondContact OE2-CG 3.48Å; E130-R133 IonicContact OE2-CZ 3.13Å; E130-R133 IonicContact OE2-NE 3.58Å; E130-R133 PolarHBondContact OE2-NE 2.85Å; E130-R133 IonicContact OE2-NH1 2.66Å; R133-A135 VanDerWaalsContact C-N 3.3Å; R133-A135 PolarHBondContact O-N 3.23Å; R133-M136 WeakPolarHBondContact O-CB 3.13Å; R133-M136 PolarHBondContact O-N 2.87Å; R133-F137 HydrophobicContact CB-CD2 4.44Å; R133-F137 HydrophobicContact CB-CE2 4.33Å; R133-F137 WeakPolarHBondContact O-CD2 3.41Å; R133-F137 PolarHBondContact O-N 3.38Å |
| 134 | R | 82.3 | Confident | 82.9 | Confident | 82 Ų | 82 | 50 Ų | 50 | 31% | 0.309 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.1 | -44.3 | 173.3 | -177.1 | 174.1 | 56.2 | -129.5 | 6.4 | 111 | L126 V128 Q129 E130 P131 F137 K138 | L126-R134 HydrophobicContact CD2-CG 3.92Å; L126-R134 WeakPolarHBondContact CD2-O 3.39Å; L126-R134 HydrophobicContact CG-CG 4.36Å; V128-R134 HydrophobicContact CB-CB 3.95Å; V128-R134 HydrophobicContact CB-CG 4.32Å; V128-R134 HydrophobicContact CG1-CB 4.07Å; V128-R134 WeakPolarHBondContact O-CD 3.45Å; V128-R134 PolarHBondContact O-NH1 2.86Å; Q129-R134 PolarHBondContact O-NH1 3.5Å; E130-R134 WeakPolarHBondContact O-CB 3.24Å; E130-R134 PolarHBondContact O-N 3.38Å; P131-R134 PolarHBondContact O-N 3.06Å; R134-F137 PolarHBondContact O-N 3.22Å; R134-K138 WeakPolarHBondContact O-CB 3.14Å; R134-K138 PolarHBondContact O-N 2.99Å |
| 135 | A | 82.6 | Confident | 83.2 | Confident | 35 Ų | 35 | 57.7 Ų | 57.7 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P131 N132 R133 R139 | P131-A135 WeakPolarHBondContact O-CB 3.4Å; P131-A135 PolarHBondContact O-N 3.42Å; N132-A135 PolarHBondContact O-N 3.44Å; R133-A135 VanDerWaalsContact C-N 3.3Å; R133-A135 PolarHBondContact O-N 3.23Å; A135-R139 WeakPolarHBondContact O-CG 3.43Å; A135-R139 PolarHBondContact O-N 3.27Å; A135-R139 PolarHBondContact O-NH1 3.1Å |
| 136 | M | 86.1 | Confident | 83.5 | Confident | 32 Ų | 32 | 58 Ų | 58 | 16% | 0.158 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.7 | -54.1 | 174.2 | 179 | -84.1 | -69.6 | 0 | 0 | 112 | E55 N132 R133 K138 R139 L140 | E55-M136 HydrophobicContact CB-CG 3.77Å; E55-M136 HydrophobicContact CB-SD 4.42Å; E55-M136 HydrophobicContact CG-CG 3.63Å; E55-M136 HydrophobicContact CG-SD 4.4Å; E55-M136 WeakPolarHBondContact OE2-CG 3.49Å; N132-M136 PolarHBondContact O-N 3.14Å; R133-M136 WeakPolarHBondContact O-CB 3.13Å; R133-M136 PolarHBondContact O-N 2.87Å; M136-K138 VanDerWaalsContact C-N 3.29Å; M136-K138 PolarHBondContact O-N 2.65Å; M136-R139 PolarHBondContact O-N 2.88Å; M136-L140 PolarHBondContact O-N 3.29Å |
| 137 | F | 86.4 | Confident | 83.6 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.009 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.4 | -35.7 | 179.6 | -72 | -58.5 | 0 | 0 | 0 | 112.2 | L126 V128 R133 R134 R139 L140 L141 V181 I184 F198 | L126-F137 HydrophobicContact CD1-CB 4.23Å; L126-F137 HydrophobicContact CD2-CB 4.04Å; V128-F137 HydrophobicContact CG2-CD2 4.43Å; R133-F137 HydrophobicContact CB-CD2 4.44Å; R133-F137 HydrophobicContact CB-CE2 4.33Å; R133-F137 WeakPolarHBondContact O-CD2 3.41Å; R133-F137 PolarHBondContact O-N 3.38Å; R134-F137 PolarHBondContact O-N 3.22Å; F137-R139 VanDerWaalsContact C-N 3.34Å; F137-R139 PolarHBondContact O-N 3Å; F137-L140 HydrophobicContact CD1-CD2 3.97Å; F137-L140 HydrophobicContact CE1-CD2 4.47Å; F137-L140 WeakPolarHBondContact O-CB 3.18Å; F137-L140 PolarHBondContact O-N 2.84Å; F137-L141 VanDerWaalsContact O-CB 3.31Å; F137-L141 WeakPolarHBondContact O-CB 3.33Å; F137-L141 VanDerWaalsContact O-CG 3.27Å; F137-L141 WeakPolarHBondContact O-CG 3.47Å; F137-L141 PolarHBondContact O-N 3.1Å; F137-V181 HydrophobicContact CD1-CG1 3.38Å; F137-V181 HydrophobicContact CD2-CG1 3.86Å; F137-V181 HydrophobicContact CE1-CB 4.47Å; F137-V181 HydrophobicContact CE1-CG1 3.12Å; F137-V181 HydrophobicContact CE2-CB 4.48Å; F137-V181 HydrophobicContact CE2-CG1 3.63Å; F137-V181 HydrophobicContact CG-CG1 3.76Å; F137-V181 HydrophobicContact CZ-CB 4.27Å; F137-V181 HydrophobicContact CZ-CG1 3.26Å; F137-I184 HydrophobicContact CD1-CD1 4.04Å; F137-F198 HydrophobicContact CE1-CD1 4.17Å; F137-F198 AromaticContact CE1-CE1 3.58Å; F137-F198 HydrophobicContact CE1-CE1 3.58Å; F137-F198 HydrophobicContact CE1-CZ 4.05Å; F137-F198 AromaticContact CZ-CD1 3.86Å; F137-F198 HydrophobicContact CZ-CD1 3.86Å; F137-F198 AromaticContact CZ-CE1 3.77Å; F137-F198 HydrophobicContact CZ-CE1 3.77Å; F137-F198 HydrophobicContact CZ-CZ 4.47Å |
| 138 | K | 88.1 | Confident | 84.3 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 172.6 | -176.6 | 169.7 | -174 | 167.3 | 0 | 111.7 | L126 R134 M136 K142 V148 N150 | L126-K138 HydrophobicContact CD2-CB 4.05Å; R134-K138 WeakPolarHBondContact O-CB 3.14Å; R134-K138 PolarHBondContact O-N 2.99Å; M136-K138 VanDerWaalsContact C-N 3.29Å; M136-K138 PolarHBondContact O-N 2.65Å; K138-K142 HydrophobicContact CG-CD 4.44Å; K138-K142 VanDerWaalsContact O-CB 3.31Å; K138-K142 WeakPolarHBondContact O-CB 3.29Å; K138-K142 VanDerWaalsContact O-CG 3.26Å; K138-K142 WeakPolarHBondContact O-CG 3.08Å; K138-K142 PolarHBondContact O-N 3.42Å; K138-V148 HydrophobicContact CB-CG1 4.45Å; K138-V148 HydrophobicContact CG-CB 4.31Å; K138-V148 HydrophobicContact CG-CG1 4.06Å; K138-N150 PolarHBondContact NZ-ND2 3.12Å; K138-N150 PolarHBondContact NZ-OD1 3.07Å |
| 139 | R | 89.3 | Confident | 84.6 | Confident | 83 Ų | 83 | 62.2 Ų | 62.2 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.3 | -41.9 | 176.5 | -72.9 | -175.8 | -57.9 | -99.9 | 6.7 | 112.2 | V38 E55 A135 M136 F137 K142 A143 | V38-R139 VanDerWaalsContact CG1-CD 3.44Å; E55-R139 IonicContact OE1-CZ 3.92Å; E55-R139 IonicContact OE1-NE 3.08Å; E55-R139 PolarHBondContact OE1-NE 2.87Å; E55-R139 IonicContact OE1-NH2 2.73Å; E55-R139 PolarHBondContact OE1-NH2 3.28Å; E55-R139 IonicContact OE2-CZ 3.32Å; E55-R139 IonicContact OE2-NE 2.67Å; E55-R139 IonicContact OE2-NH2 3.56Å; E55-R139 PolarHBondContact OE2-NH2 3.25Å; A135-R139 WeakPolarHBondContact O-CG 3.43Å; A135-R139 PolarHBondContact O-N 3.27Å; A135-R139 PolarHBondContact O-NH1 3.1Å; M136-R139 PolarHBondContact O-N 2.88Å; F137-R139 VanDerWaalsContact C-N 3.34Å; F137-R139 PolarHBondContact O-N 3Å; R139-K142 PolarHBondContact O-N 2.82Å; R139-A143 WeakPolarHBondContact O-CB 3.21Å; R139-A143 PolarHBondContact O-N 3Å |
| 140 | L | 90.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.1 | -53.3 | 175.3 | 178 | 77.9 | 0 | 0 | 0 | 111.9 | L58 A59 M136 F137 K142 A143 G144 I184 | L58-L140 HydrophobicContact CB-CD1 3.34Å; A59-L140 HydrophobicContact CB-CD1 4.04Å; A59-L140 VanDerWaalsContact N-CD1 3.3Å; M136-L140 PolarHBondContact O-N 3.29Å; F137-L140 HydrophobicContact CD1-CD2 3.97Å; F137-L140 HydrophobicContact CE1-CD2 4.47Å; F137-L140 WeakPolarHBondContact O-CB 3.18Å; F137-L140 PolarHBondContact O-N 2.84Å; L140-K142 PolarHBondContact O-N 3.14Å; L140-A143 WeakPolarHBondContact O-CB 3.17Å; L140-A143 PolarHBondContact O-N 3.39Å; L140-G144 PolarHBondContact O-N 3.36Å; L140-I184 HydrophobicContact CD2-CD1 4.05Å; L140-I184 HydrophobicContact CD2-CG2 3.68Å; L140-I184 HydrophobicContact CG-CG2 4.46Å |
| 141 | L | 90.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -43.5 | -179.7 | -74.3 | 169.1 | 0 | 0 | 0 | 111.2 | F119 W122 V124 L126 F137 A143 G144 R145 A146 V148 M163 I184 | F119-L141 HydrophobicContact CD2-CD2 4.09Å; F119-L141 HydrophobicContact CE2-CD2 4.31Å; F119-L141 HydrophobicContact CG-CD2 4.5Å; W122-L141 HydrophobicContact CE3-CD2 4.26Å; W122-L141 HydrophobicContact CZ3-CD2 4.43Å; V124-L141 HydrophobicContact CB-CD1 4.37Å; V124-L141 HydrophobicContact CG1-CD1 3.94Å; V124-L141 HydrophobicContact CG2-CD1 4.47Å; V124-L141 HydrophobicContact CG2-CD2 4.39Å; L126-L141 HydrophobicContact CD1-CD1 4.32Å; F137-L141 VanDerWaalsContact O-CB 3.31Å; F137-L141 WeakPolarHBondContact O-CB 3.33Å; F137-L141 VanDerWaalsContact O-CG 3.27Å; F137-L141 WeakPolarHBondContact O-CG 3.47Å; F137-L141 PolarHBondContact O-N 3.1Å; L141-A143 VanDerWaalsContact C-N 3.31Å; L141-A143 PolarHBondContact O-N 2.91Å; L141-G144 CarbonylContact O-C 3.29Å; L141-G144 PolarHBondContact O-N 2.99Å; L141-R145 PolarHBondContact O-N 2.99Å; L141-A146 HydrophobicContact CB-CB 4.07Å; L141-A146 HydrophobicContact CD2-CB 4.48Å; L141-A146 WeakPolarHBondContact O-CB 3.37Å; L141-A146 PolarHBondContact O-N 3.11Å; L141-V148 HydrophobicContact CB-CG2 3.57Å; L141-V148 HydrophobicContact CD1-CG2 4.1Å; L141-V148 HydrophobicContact CG-CG2 4.5Å; L141-M163 HydrophobicContact CD1-SD 3.99Å; L141-M163 HydrophobicContact CD2-CE 4.02Å; L141-M163 HydrophobicContact CD2-SD 4.07Å; L141-I184 HydrophobicContact CD1-CD1 4.38Å; L141-I184 HydrophobicContact CD2-CD1 3.84Å; L141-I184 HydrophobicContact CD2-CG1 4.2Å; L141-I184 HydrophobicContact CG-CD1 4.08Å |
| 142 | K | 90.8 | Very high | 83.9 | Confident | 117 Ų | 117 | 59.6 Ų | 59.6 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.2 | -35.4 | 174.4 | -77.2 | -172.2 | 172.2 | -156.8 | 0 | 112.9 | K138 R139 L140 G144 R145 V148 | K138-K142 HydrophobicContact CG-CD 4.44Å; K138-K142 VanDerWaalsContact O-CB 3.31Å; K138-K142 WeakPolarHBondContact O-CB 3.29Å; K138-K142 VanDerWaalsContact O-CG 3.26Å; K138-K142 WeakPolarHBondContact O-CG 3.08Å; K138-K142 PolarHBondContact O-N 3.42Å; R139-K142 PolarHBondContact O-N 2.82Å; L140-K142 PolarHBondContact O-N 3.14Å; K142-G144 VanDerWaalsContact C-N 3.28Å; K142-G144 PolarHBondContact O-N 3.21Å; K142-R145 PolarHBondContact O-N 3.42Å; K142-V148 HydrophobicContact CG-CG2 4.18Å |
| 143 | A | 90.3 | Very high | 83.2 | Confident | 13 Ų | 13 | 54.4 Ų | 54.4 | 11% | 0.107 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y39 A59 A63 R139 L140 L141 R145 | Y39-A143 HydrophobicContact CD1-CB 4.04Å; Y39-A143 HydrophobicContact CE1-CB 3.6Å; A59-A143 HydrophobicContact CB-CB 3.87Å; A63-A143 WeakPolarHBondContact CA-O 3.47Å; A63-A143 HydrophobicContact CB-CB 4.36Å; A63-A143 WeakPolarHBondContact CB-O 3.35Å; R139-A143 WeakPolarHBondContact O-CB 3.21Å; R139-A143 PolarHBondContact O-N 3Å; L140-A143 WeakPolarHBondContact O-CB 3.17Å; L140-A143 PolarHBondContact O-N 3.39Å; L141-A143 VanDerWaalsContact C-N 3.31Å; L141-A143 PolarHBondContact O-N 2.91Å; A143-R145 PolarHBondContact O-N 3.08Å |
| 144 | G | 89.6 | Confident | 82 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 12.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | A62 G117 A118 F119 Q120 L140 L141 K142 | A62-G144 WeakPolarHBondContact O-CA 3.07Å; G117-G144 CarbonylContact C-O 3.5Å; G117-G144 VanDerWaalsContact C-O 3.29Å; G117-G144 WeakPolarHBondContact CA-O 3.27Å; A118-G144 PolarHBondContact N-O 3.38Å; F119-G144 CarbonylContact C-O 3.51Å; F119-G144 VanDerWaalsContact C-O 3.3Å; F119-G144 VanDerWaalsContact CA-O 3.3Å; F119-G144 WeakPolarHBondContact CA-O 3.41Å; F119-G144 WeakPolarHBondContact CB-O 3.5Å; F119-G144 PolarHBondContact N-O 3.27Å; Q120-G144 PolarHBondContact N-O 3.48Å; L140-G144 PolarHBondContact O-N 3.36Å; L141-G144 CarbonylContact O-C 3.29Å; L141-G144 PolarHBondContact O-N 2.99Å; K142-G144 VanDerWaalsContact C-N 3.28Å; K142-G144 PolarHBondContact O-N 3.21Å |
| 145 | R | 91.8 | Very high | 80.7 | Confident | 163 Ų | 163 | 60.9 Ų | 60.9 | 62% | 0.615 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 29 | 178.7 | -51.8 | -61.4 | -172.4 | 169 | 2.3 | 116.3 | T116 L141 K142 A143 | T116-R145 WeakPolarHBondContact O-CG 3.21Å; L141-R145 PolarHBondContact O-N 2.99Å; K142-R145 PolarHBondContact O-N 3.42Å; A143-R145 PolarHBondContact O-N 3.08Å |
| 146 | A | 90.9 | Very high | 79.4 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | trans | -80.8 | 147.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F119 W122 V124 L141 V148 | F119-A146 HydrophobicContact CB-CB 3.86Å; W122-A146 HydrophobicContact CB-CB 3.86Å; W122-A146 CarbonylContact O-C 3.59Å; W122-A146 WeakPolarHBondContact O-CA 3.42Å; V124-A146 HydrophobicContact CG2-CB 4.21Å; L141-A146 HydrophobicContact CB-CB 4.07Å; L141-A146 HydrophobicContact CD2-CB 4.48Å; L141-A146 WeakPolarHBondContact O-CB 3.37Å; L141-A146 PolarHBondContact O-N 3.11Å; A146-V148 HydrophobicContact CB-CG2 4.42Å | ||
| 147 | E | 87.9 | Confident | 78.2 | Confident | 101 Ų | 101 | 70.1 Ų | 70.1 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 124.7 | 164.2 | -68.1 | 178.7 | -167.2 | 0 | 0 | 109.5 | W122 R123 V124 Y149 | W122-E147 PolarHBondContact O-N 3.07Å; R123-E147 HydrophobicContact CG-CB 4.22Å; R123-E147 WeakPolarHBondContact CG-OE2 3.21Å; V124-E147 PolarHBondContact N-O 2.89Å; E147-Y149 HydrophobicContact CB-CE2 3.86Å; E147-Y149 PolarHBondContact OE2-OH 2.85Å |
| 148 | V | 88.3 | Confident | 77.4 | Confident | 18 Ų | 18 | 73.8 Ų | 73.8 | 11% | 0.109 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 117.2 | -173.2 | -172.9 | 0 | 0 | 0 | 0 | 110.9 | V124 L126 K138 L141 K142 A146 | V124-V148 WeakPolarHBondContact O-CA 3.49Å; L126-V148 HydrophobicContact CB-CG1 3.82Å; L126-V148 HydrophobicContact CD2-CG1 4.12Å; K138-V148 HydrophobicContact CB-CG1 4.45Å; K138-V148 HydrophobicContact CG-CB 4.31Å; K138-V148 HydrophobicContact CG-CG1 4.06Å; L141-V148 HydrophobicContact CB-CG2 3.57Å; L141-V148 HydrophobicContact CD1-CG2 4.1Å; L141-V148 HydrophobicContact CG-CG2 4.5Å; K142-V148 HydrophobicContact CG-CG2 4.18Å; A146-V148 HydrophobicContact CB-CG2 4.42Å |
| 149 | Y | 82.3 | Confident | 76.9 | Confident | 60 Ų | 60 | 72.1 Ų | 72.1 | 24% | 0.235 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 137.7 | 179.2 | -58.4 | -89.6 | 0 | 0 | 0 | 110.2 | R123 V124 L126 E147 P153 | R123-Y149 HydrophobicContact CB-CE2 4.15Å; R123-Y149 HydrophobicContact CG-CE2 4.44Å; V124-Y149 PolarHBondContact O-N 2.94Å; L126-Y149 PolarHBondContact N-O 3.3Å; E147-Y149 HydrophobicContact CB-CE2 3.86Å; E147-Y149 PolarHBondContact OE2-OH 2.85Å; Y149-P153 HydrophobicContact CD1-CB 4.14Å; Y149-P153 HydrophobicContact CD1-CG 4.27Å; Y149-P153 HydrophobicContact CE1-CB 4.26Å; Y149-P153 HydrophobicContact CE1-CG 4.49Å |
| 150 | N | 73.4 | Confident | 76.3 | Confident | 83 Ų | 83 | 70 Ų | 70 | 44% | 0.444 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -96.3 | -20.9 | 178.8 | -71.9 | -5.2 | 0 | 0 | 0 | 112.6 | K138 | K138-N150 PolarHBondContact NZ-ND2 3.12Å; K138-N150 PolarHBondContact NZ-OD1 3.07Å |
| 151 | C | 65.5 | Low | 75.8 | Confident | 92 Ų | 92 | 71.2 Ų | 71.2 | 62% | 0.622 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -135.8 | 157.2 | 175.9 | -62.1 | 0 | 0 | 0 | 0 | 107.9 | ||
| 152 | P | 63.6 | Low | 75.1 | Confident | 92 Ų | 92 | 71.2 Ų | 71.2 | 60% | 0.597 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 126.7 | 175.4 | -19.5 | 31.1 | 0 | 0 | 0 | 110.1 | ||
| 153 | P | 59.4 | Low | 74.4 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 20% | 0.195 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 153.7 | 177.8 | 29.5 | -33 | 0 | 0 | 0 | 111.4 | Y149 T157 I159 | Y149-P153 HydrophobicContact CD1-CB 4.14Å; Y149-P153 HydrophobicContact CD1-CG 4.27Å; Y149-P153 HydrophobicContact CE1-CB 4.26Å; Y149-P153 HydrophobicContact CE1-CG 4.49Å; P153-T157 WeakPolarHBondContact CB-OG1 3.46Å; P153-T157 WeakPolarHBondContact CG-OG1 3.36Å; P153-I159 HydrophobicContact CG-CG1 4.47Å |
| 154 | P | 52.7 | Low | 73.2 | Confident | 93 Ų | 93 | 65.2 Ų | 65.2 | 60% | 0.604 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 136.8 | 178.5 | 23.6 | -29.8 | 0 | 0 | 0 | 112.3 | Y156 | P154-Y156 VanDerWaalsContact C-N 3.29Å; P154-Y156 PolarHBondContact O-N 3.39Å |
| 155 | M | 54.5 | Low | 71.7 | Confident | 197 Ų | 197 | 68.2 Ų | 68.2 | 97% | 0.97 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -6.2 | 1.1 | -174.1 | -78.8 | -169.3 | 148.2 | 0 | 0 | 125.4 | ||
| 156 | Y | 55.9 | Low | 69.9 | Low | 199 Ų | 199 | 62.8 Ų | 62.8 | 78% | 0.78 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.1 | 3.6 | -175.5 | 22 | -94.4 | 0 | 0 | 0 | 116.1 | P154 | P154-Y156 VanDerWaalsContact C-N 3.29Å; P154-Y156 PolarHBondContact O-N 3.39Å |
| 157 | T | 60.6 | Low | 68.3 | Low | 62 Ų | 62 | 65.2 Ų | 65.2 | 38% | 0.38 | 35% | 0.353 | S | S | . | . | trans | -110.8 | 115.1 | 174.9 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | P153 I159 | P153-T157 WeakPolarHBondContact CB-OG1 3.46Å; P153-T157 WeakPolarHBondContact CG-OG1 3.36Å; T157-I159 PolarHBondContact O-N 2.79Å | ||
| 158 | S | 69.4 | Low | 66.7 | Low | 80 Ų | 80 | 63.7 Ų | 63.7 | 56% | 0.559 | 35% | 0.351 | S | S | * | . | trans | -75 | 115.9 | 180 | 56.6 | 0 | 0 | 0 | 0 | 112.1 | R123 T160 | R123-S158 PolarHBondContact NE-O 3.35Å; R123-S158 PolarHBondContact NH2-O 2.99Å; R123-S158 PolarHBondContact NH2-OG 3.44Å; S158-T160 PolarHBondContact O-N 3.45Å | ||
| 159 | I | 78.7 | Confident | 64.9 | Low | 22 Ų | 22 | 71 Ų | 71 | 11% | 0.113 | 38% | 0.384 | C | S | . | . | trans | -70.4 | 129.4 | 174.8 | -64.9 | 163.7 | 0 | 0 | 0 | 109 | L125 P153 T157 H161 V162 L174 S176 | L125-I159 HydrophobicContact CB-CD1 3.99Å; L125-I159 HydrophobicContact CB-CG2 4.11Å; L125-I159 HydrophobicContact CD2-CD1 4.01Å; L125-I159 HydrophobicContact CG-CD1 4.49Å; P153-I159 HydrophobicContact CG-CG1 4.47Å; T157-I159 PolarHBondContact O-N 2.79Å; I159-H161 WeakPolarHBondContact CG2-O 3.35Å; I159-V162 HydrophobicContact CG2-CG2 3.97Å; I159-L174 HydrophobicContact CD1-CD2 4.19Å; I159-S176 WeakPolarHBondContact O-CB 3.49Å; I159-S176 PolarHBondContact O-OG 2.85Å | ||
| 160 | T | 75.6 | Confident | 63.2 | Low | 39 Ų | 39 | 76.7 Ų | 76.7 | 24% | 0.239 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -90.5 | -33.3 | 178.4 | 61.3 | 0 | 0 | 0 | 0 | 112.6 | R123 S158 P177 | R123-T160 HydrophobicContact CB-CG2 4.26Å; R123-T160 PolarHBondContact N-OG1 2.83Å; R123-T160 PolarHBondContact O-N 3.23Å; R123-T160 PolarHBondContact O-OG1 2.9Å; S158-T160 PolarHBondContact O-N 3.45Å; T160-P177 WeakPolarHBondContact O-CG 3.14Å |
| 161 | H | 80 | Confident | 62 | Low | 25 Ų | 25 | 72.7 Ų | 72.7 | 12% | 0.116 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 124.7 | -175.9 | -64.2 | 77.2 | 0 | 0 | 0 | 109.8 | W122 R123 V124 L125 I159 M163 Y179 | W122-H161 AromaticContact CD1-CE1 3.73Å; W122-H161 AromaticContact CD2-CE1 3.84Å; W122-H161 AromaticContact CE2-CE1 3.66Å; W122-H161 AromaticContact CE2-NE2 3.73Å; W122-H161 AromaticContact CG-CE1 3.86Å; W122-H161 AromaticContact CG-ND1 3.9Å; W122-H161 AromaticContact CZ2-NE2 3.86Å; W122-H161 AromaticContact NE1-CE1 3.59Å; R123-H161 PolarHBondContact O-N 3.04Å; R123-H161 VanDerWaalsContact O-N 3.12Å; V124-H161 CarbonylContact C-O 3.6Å; V124-H161 VanDerWaalsContact CA-O 3.25Å; V124-H161 WeakPolarHBondContact CA-O 3.5Å; V124-H161 HydrophobicContact CG2-CB 4.28Å; L125-H161 PolarHBondContact N-O 3.07Å; I159-H161 WeakPolarHBondContact CG2-O 3.35Å; H161-M163 HydrophobicContact CB-CE 4.3Å; H161-Y179 HydrophobicContact CB-CD2 4.44Å; H161-Y179 AromaticContact CD2-CD2 3.62Å; H161-Y179 AromaticContact CD2-CE2 3.52Å |
| 162 | V | 75.2 | Confident | 61.3 | Low | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 119.2 | 165.9 | -179.7 | 0 | 0 | 0 | 0 | 107.3 | L125 M127 I159 P177 C178 Y179 | L125-V162 HydrophobicContact CB-CG2 4.43Å; M127-V162 HydrophobicContact CG-CG1 4.48Å; M127-V162 HydrophobicContact SD-CG1 3.88Å; I159-V162 HydrophobicContact CG2-CG2 3.97Å; V162-P177 PolarHBondContact N-O 3.49Å; V162-C178 HydrophobicContact CB-CB 4.29Å; V162-C178 CarbonylContact O-C 3.55Å; V162-C178 WeakPolarHBondContact O-CA 3.15Å; V162-Y179 PolarHBondContact O-N 3.47Å |
| 163 | M | 76.9 | Confident | 60.6 | Low | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.2 | -179.8 | -71.5 | -175.3 | -171.5 | 0 | 0 | 110.8 | W122 V124 L125 L126 M127 L141 H161 Y179 I184 | W122-M163 HydrophobicContact CE3-CE 3.61Å; W122-M163 HydrophobicContact CH2-CE 4.31Å; W122-M163 HydrophobicContact CZ3-CE 3.31Å; V124-M163 HydrophobicContact CG1-CB 4Å; V124-M163 HydrophobicContact CG1-CE 4.13Å; V124-M163 HydrophobicContact CG1-CG 3.74Å; V124-M163 HydrophobicContact CG1-SD 3.68Å; V124-M163 HydrophobicContact CG2-CE 4.18Å; L125-M163 PolarHBondContact O-N 3.36Å; L126-M163 HydrophobicContact CD1-CB 4.09Å; M127-M163 PolarHBondContact N-O 3.37Å; L141-M163 HydrophobicContact CD1-SD 3.99Å; L141-M163 HydrophobicContact CD2-CE 4.02Å; L141-M163 HydrophobicContact CD2-SD 4.07Å; H161-M163 HydrophobicContact CB-CE 4.3Å; M163-Y179 WeakPolarHBondContact CA-O 3.4Å; M163-I184 HydrophobicContact CE-CD1 4.46Å; M163-I184 HydrophobicContact CE-CG1 3.9Å; M163-I184 HydrophobicContact SD-CD1 3.73Å; M163-I184 HydrophobicContact SD-CG1 3.72Å |
| 164 | A | 65.2 | Low | 60.4 | Low | 4 Ų | 4 | 76.9 Ų | 76.9 | 3% | 0.033 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 147.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M127 V167 Y179 | M127-A164 HydrophobicContact CB-CB 4.18Å; M127-A164 WeakPolarHBondContact O-CA 3.09Å; A164-V167 HydrophobicContact CB-CG2 4.42Å; A164-Y179 PolarHBondContact N-O 2.91Å |
| 165 | K | 58.6 | Low | 60.6 | Low | 64 Ų | 64 | 81 Ų | 81 | 28% | 0.278 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 106.3 | 170.9 | -171.3 | 176.5 | -178.8 | -178.9 | 0 | 109.9 | V181 N199 | K165-V181 HydrophobicContact CB-CG2 4.03Å; K165-N199 PolarHBondContact NZ-OD1 3.14Å |
| 166 | P | 53.5 | Low | 61.1 | Low | 49 Ų | 49 | 73 Ų | 73 | 32% | 0.318 | 38% | 0.379 | S | S | . | . | S | Bend | cis | -76.5 | 158.1 | -8.1 | 32.7 | -33 | 0 | 0 | 0 | 112.2 | T168 K410 | P166-T168 HydrophobicContact CG-CG2 4.21Å; P166-T168 PolarHBondContact O-N 3.3Å; P166-K410 HydrophobicContact CB-CD 4.02Å; P166-K410 HydrophobicContact CB-CG 4.48Å; P166-K410 HydrophobicContact CG-CD 4.1Å; P166-K410 HydrophobicContact CG-CG 4.37Å |
| 167 | V | 56.7 | Low | 61.7 | Low | 59 Ų | 59 | 66.6 Ų | 66.6 | 36% | 0.358 | 36% | 0.362 | S | S | . | . | trans | -66.3 | 116.7 | 168 | -179.7 | 0 | 0 | 0 | 0 | 107.9 | A164 P180 | A164-V167 HydrophobicContact CB-CG2 4.42Å; V167-P180 HydrophobicContact CG2-CB 4.45Å | ||
| 168 | T | 54.8 | Low | 62.3 | Low | 70 Ų | 70 | 65.3 Ų | 65.3 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | trans | -112.6 | 161.3 | 179.8 | 57.6 | 0 | 0 | 0 | 0 | 110.8 | P166 K170 S171 | P166-T168 HydrophobicContact CG-CG2 4.21Å; P166-T168 PolarHBondContact O-N 3.3Å; T168-K170 PolarHBondContact O-N 2.93Å; T168-S171 PolarHBondContact N-OG 3.49Å; T168-S171 WeakPolarHBondContact O-CB 3.46Å; T168-S171 PolarHBondContact O-N 2.88Å; T168-S171 PolarHBondContact O-OG 3.45Å | ||
| 169 | E | 49.6 | Very low | 62.6 | Low | 171 Ų | 171 | 65 Ų | 65 | 80% | 0.799 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -59.2 | -32 | 179.6 | -69.4 | -173.8 | 157.8 | 0 | 0 | 113.4 | S171 K172 | E169-S171 PolarHBondContact O-N 3.45Å; E169-S171 VanDerWaalsContact O-N 3.14Å; E169-K172 PolarHBondContact O-N 2.73Å |
| 170 | K | 47.8 | Very low | 62.6 | Low | 179 Ų | 179 | 66.8 Ų | 66.8 | 78% | 0.778 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -62.8 | -15.8 | 172.5 | -75.5 | -174.7 | 175.8 | -177.3 | 0 | 114.4 | T168 S173 | T168-K170 PolarHBondContact O-N 2.93Å; K170-S173 PolarHBondContact O-OG 2.86Å |
| 171 | S | 48.8 | Very low | 62.5 | Low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -89.8 | -8.3 | 175.7 | 68.2 | 0 | 0 | 0 | 0 | 113.8 | T168 E169 C178 | T168-S171 PolarHBondContact N-OG 3.49Å; T168-S171 WeakPolarHBondContact O-CB 3.46Å; T168-S171 PolarHBondContact O-N 2.88Å; T168-S171 PolarHBondContact O-OG 3.45Å; E169-S171 PolarHBondContact O-N 3.45Å; E169-S171 VanDerWaalsContact O-N 3.14Å; S171-C178 PolarHBondContact OG-SG 2.92Å |
| 172 | K | 49.3 | Very low | 62.2 | Low | 154 Ų | 154 | 67.1 Ų | 67.1 | 67% | 0.67 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -89.8 | -8.4 | 176.3 | -66.5 | -176.8 | 176.6 | 179.9 | 0 | 113.5 | E169 L174 | E169-K172 PolarHBondContact O-N 2.73Å; K172-L174 VanDerWaalsContact C-N 3.26Å; K172-L174 PolarHBondContact O-N 3.11Å |
| 173 | S | 49.1 | Very low | 62.5 | Low | 97 Ų | 97 | 68.7 Ų | 68.7 | 68% | 0.678 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -82.3 | 2.6 | -179.9 | 62.7 | 0 | 0 | 0 | 0 | 114 | K170 | K170-S173 PolarHBondContact O-OG 2.86Š|
| 174 | L | 56.2 | Low | 62.7 | Low | 50 Ų | 50 | 68.7 Ų | 68.7 | 26% | 0.262 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -99.8 | 133.3 | 168.7 | -71.3 | 103.5 | 0 | 0 | 0 | 108.6 | L125 I159 K172 S176 | L125-L174 HydrophobicContact CD2-CD2 4.1Å; I159-L174 HydrophobicContact CD1-CD2 4.19Å; K172-L174 VanDerWaalsContact C-N 3.26Å; K172-L174 PolarHBondContact O-N 3.11Å; L174-S176 PolarHBondContact O-N 3.37Å |
| 175 | N | 56.1 | Low | 63.3 | Low | 180 Ų | 180 | 69.2 Ų | 69.2 | 96% | 0.963 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -64.7 | 23.1 | -179 | -73.8 | -9.1 | 0 | 0 | 0 | 115.2 | ||
| 176 | S | 65.1 | Low | 64.2 | Low | 29 Ų | 29 | 71.8 Ų | 71.8 | 20% | 0.203 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -123.4 | 146.1 | -177.6 | -61 | 0 | 0 | 0 | 0 | 110.7 | I159 L174 C178 | I159-S176 WeakPolarHBondContact O-CB 3.49Å; I159-S176 PolarHBondContact O-OG 2.85Å; L174-S176 PolarHBondContact O-N 3.37Å; S176-C178 PolarHBondContact O-N 3.3Å |
| 177 | P | 69.4 | Low | 65.6 | Low | 64 Ų | 64 | 72.6 Ų | 72.6 | 42% | 0.416 | 38% | 0.384 | S | S | . | . | trans | -64.6 | 131.1 | -176.6 | 25.9 | -33.8 | 0 | 0 | 0 | 112.2 | T160 V162 Y179 | T160-P177 WeakPolarHBondContact O-CG 3.14Å; V162-P177 PolarHBondContact N-O 3.49Å; P177-Y179 HydrophobicContact CB-CD2 4.42Å; P177-Y179 HydrophobicContact CB-CE2 3.56Å; P177-Y179 HydrophobicContact CG-CE2 3.76Å | ||
| 178 | C | 73.1 | Confident | 66.7 | Low | 35 Ų | 35 | 69.8 Ų | 69.8 | 24% | 0.236 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122.9 | -179.3 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | V162 S171 S176 | V162-C178 HydrophobicContact CB-CB 4.29Å; V162-C178 CarbonylContact O-C 3.55Å; V162-C178 WeakPolarHBondContact O-CA 3.15Å; S171-C178 PolarHBondContact OG-SG 2.92Å; S176-C178 PolarHBondContact O-N 3.3Å |
| 179 | Y | 75.5 | Confident | 67.8 | Low | 74 Ų | 74 | 67 Ų | 67 | 29% | 0.29 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144 | -176.5 | -62.6 | -81.5 | 0 | 0 | 0 | 111.6 | H161 V162 M163 A164 P177 H183 | H161-Y179 HydrophobicContact CB-CD2 4.44Å; H161-Y179 AromaticContact CD2-CD2 3.62Å; H161-Y179 AromaticContact CD2-CE2 3.52Å; V162-Y179 PolarHBondContact O-N 3.47Å; M163-Y179 WeakPolarHBondContact CA-O 3.4Å; A164-Y179 PolarHBondContact N-O 2.91Å; P177-Y179 HydrophobicContact CB-CD2 4.42Å; P177-Y179 HydrophobicContact CB-CE2 3.56Å; P177-Y179 HydrophobicContact CG-CE2 3.76Å; Y179-H183 HydrophobicContact CD1-CB 4.46Å; Y179-H183 AromaticContact CD1-CD2 3.58Å; Y179-H183 AromaticContact CD1-CG 3.81Å; Y179-H183 AromaticContact CD1-NE2 3.73Å; Y179-H183 AromaticContact CE1-NE2 3.76Å; Y179-H183 HydrophobicContact CG-CB 4.43Å; Y179-H183 AromaticContact CG-CG 3.99Å |
| 180 | P | 77.2 | Confident | 68.8 | Low | 60 Ų | 60 | 60.7 Ų | 60.7 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 154.1 | 167.3 | 30.8 | -34.7 | 0 | 0 | 0 | 110.2 | V167 S182 H183 | V167-P180 HydrophobicContact CG2-CB 4.45Å; P180-S182 WeakPolarHBondContact CG-OG 3.2Å; P180-S182 PolarHBondContact O-N 2.83Å; P180-S182 VanDerWaalsContact O-N 3.09Å; P180-H183 WeakPolarHBondContact O-CB 3.35Å; P180-H183 PolarHBondContact O-N 3.33Å |
| 181 | V | 74.4 | Confident | 69.1 | Low | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.9 | -179.1 | -172.4 | 0 | 0 | 0 | 0 | 113 | V128 F137 K165 H183 I184 | V128-V181 HydrophobicContact CG2-CG2 4.12Å; F137-V181 HydrophobicContact CD1-CG1 3.38Å; F137-V181 HydrophobicContact CD2-CG1 3.86Å; F137-V181 HydrophobicContact CE1-CB 4.47Å; F137-V181 HydrophobicContact CE1-CG1 3.12Å; F137-V181 HydrophobicContact CE2-CB 4.48Å; F137-V181 HydrophobicContact CE2-CG1 3.63Å; F137-V181 HydrophobicContact CG-CG1 3.76Å; F137-V181 HydrophobicContact CZ-CB 4.27Å; F137-V181 HydrophobicContact CZ-CG1 3.26Å; K165-V181 HydrophobicContact CB-CG2 4.03Å; V181-H183 PolarHBondContact O-N 3.42Å; V181-I184 HydrophobicContact CG1-CD1 3.76Å; V181-I184 HydrophobicContact CG1-CG1 4.5Å; V181-I184 WeakPolarHBondContact O-CB 3.3Å; V181-I184 WeakPolarHBondContact O-CG1 3.38Å; V181-I184 PolarHBondContact O-N 3.36Å |
| 182 | S | 74.3 | Confident | 69.2 | Low | 63 Ų | 63 | 62 Ų | 62 | 44% | 0.441 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -22.4 | 170.4 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | P180 I184 V185 Q186 | P180-S182 WeakPolarHBondContact CG-OG 3.2Å; P180-S182 PolarHBondContact O-N 2.83Å; P180-S182 VanDerWaalsContact O-N 3.09Å; S182-I184 PolarHBondContact O-N 3.2Å; S182-V185 PolarHBondContact O-N 3.48Å; S182-V185 VanDerWaalsContact O-N 3.09Å; S182-Q186 PolarHBondContact O-N 2.99Å; S182-Q186 VanDerWaalsContact O-N 3.15Å |
| 183 | H | 80.6 | Confident | 69.2 | Low | 33 Ų | 33 | 65.4 Ų | 65.4 | 15% | 0.153 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.4 | -27.4 | 175.5 | -172 | -101.4 | 0 | 0 | 0 | 112.7 | Y179 P180 V181 V185 Q186 H187 | Y179-H183 HydrophobicContact CD1-CB 4.46Å; Y179-H183 AromaticContact CD1-CD2 3.58Å; Y179-H183 AromaticContact CD1-CG 3.81Å; Y179-H183 AromaticContact CD1-NE2 3.73Å; Y179-H183 AromaticContact CE1-NE2 3.76Å; Y179-H183 HydrophobicContact CG-CB 4.43Å; Y179-H183 AromaticContact CG-CG 3.99Å; P180-H183 WeakPolarHBondContact O-CB 3.35Å; P180-H183 PolarHBondContact O-N 3.33Å; V181-H183 PolarHBondContact O-N 3.42Å; H183-V185 VanDerWaalsContact C-N 3.32Å; H183-V185 PolarHBondContact O-N 3.05Å; H183-Q186 PolarHBondContact O-N 2.91Å; H183-H187 WeakPolarHBondContact O-CB 3.34Å; H183-H187 PolarHBondContact O-N 3.33Å |
| 184 | I | 80.4 | Confident | 69 | Low | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 176.4 | -56.7 | 176.4 | 0 | 0 | 0 | 110.8 | F119 F137 L140 L141 M163 V181 S182 L188 | F119-I184 HydrophobicContact CE1-CG2 3.91Å; F119-I184 HydrophobicContact CE2-CG2 3.98Å; F119-I184 HydrophobicContact CZ-CG2 3.32Å; F137-I184 HydrophobicContact CD1-CD1 4.04Å; L140-I184 HydrophobicContact CD2-CD1 4.05Å; L140-I184 HydrophobicContact CD2-CG2 3.68Å; L140-I184 HydrophobicContact CG-CG2 4.46Å; L141-I184 HydrophobicContact CD1-CD1 4.38Å; L141-I184 HydrophobicContact CD2-CD1 3.84Å; L141-I184 HydrophobicContact CD2-CG1 4.2Å; L141-I184 HydrophobicContact CG-CD1 4.08Å; M163-I184 HydrophobicContact CE-CD1 4.46Å; M163-I184 HydrophobicContact CE-CG1 3.9Å; M163-I184 HydrophobicContact SD-CD1 3.73Å; M163-I184 HydrophobicContact SD-CG1 3.72Å; V181-I184 HydrophobicContact CG1-CD1 3.76Å; V181-I184 HydrophobicContact CG1-CG1 4.5Å; V181-I184 WeakPolarHBondContact O-CB 3.3Å; V181-I184 WeakPolarHBondContact O-CG1 3.38Å; V181-I184 PolarHBondContact O-N 3.36Å; S182-I184 PolarHBondContact O-N 3.2Å; I184-L188 WeakPolarHBondContact O-CG 3.4Å; I184-L188 PolarHBondContact O-N 3.47Å; I184-L188 VanDerWaalsContact O-N 3.16Å |
| 185 | V | 77.9 | Confident | 68.4 | Low | 16 Ų | 16 | 68.2 Ų | 68.2 | 10% | 0.097 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -73.2 | -41.5 | 178.9 | 175 | 0 | 0 | 0 | 0 | 110 | L58 S182 H183 H187 L188 F189 V196 F198 | L58-V185 HydrophobicContact CD1-CG2 4.31Å; L58-V185 HydrophobicContact CD2-CG2 4.25Å; S182-V185 PolarHBondContact O-N 3.48Å; S182-V185 VanDerWaalsContact O-N 3.09Å; H183-V185 VanDerWaalsContact C-N 3.32Å; H183-V185 PolarHBondContact O-N 3.05Å; V185-H187 VanDerWaalsContact C-N 3.25Å; V185-H187 PolarHBondContact O-N 3.47Å; V185-L188 PolarHBondContact O-N 2.72Å; V185-L188 VanDerWaalsContact O-N 3.14Å; V185-F189 HydrophobicContact CB-CD2 4.41Å; V185-F189 HydrophobicContact CG1-CD2 3.6Å; V185-F189 HydrophobicContact CG1-CE2 4.05Å; V185-F189 VanDerWaalsContact O-CD2 3.23Å; V185-F189 WeakPolarHBondContact O-CD2 3.44Å; V185-F189 PolarHBondContact O-N 2.89Å; V185-V196 HydrophobicContact CG1-CB 4.33Å; V185-V196 HydrophobicContact CG1-CG2 4.34Å; V185-F198 HydrophobicContact CB-CE2 4.3Å; V185-F198 HydrophobicContact CG2-CE2 3.4Å; V185-F198 HydrophobicContact CG2-CZ 3.36Å |
| 186 | Q | 77.4 | Confident | 67.7 | Low | 117 Ų | 117 | 61 Ų | 61 | 55% | 0.547 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.4 | -39.9 | 174.7 | -172.2 | 177.9 | -2.8 | 0 | 0 | 112 | S182 H183 G190 | S182-Q186 PolarHBondContact O-N 2.99Å; S182-Q186 VanDerWaalsContact O-N 3.15Å; H183-Q186 PolarHBondContact O-N 2.91Å; Q186-G190 VanDerWaalsContact O-CA 3.26Å; Q186-G190 WeakPolarHBondContact O-CA 3.37Å; Q186-G190 PolarHBondContact O-N 2.89Å |
| 187 | H | 83.3 | Confident | 66.5 | Low | 66 Ų | 66 | 64.3 Ų | 64.3 | 31% | 0.306 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 176 | -174.3 | 79.3 | 0 | 0 | 0 | 112.6 | W106 A118 F119 W122 H183 V185 F189 | W106-H187 AromaticContact CH2-NE2 3.6Å; W106-H187 WeakPolarHBondContact CZ2-O 3.3Å; A118-H187 PolarHBondContact O-NE2 2.95Å; F119-H187 AromaticContact CD1-CD2 3.72Å; F119-H187 AromaticContact CE1-CD2 3.69Å; W122-H187 HydrophobicContact CH2-CB 3.8Å; W122-H187 AromaticContact CH2-CD2 3.95Å; W122-H187 AromaticContact CH2-CG 3.67Å; W122-H187 HydrophobicContact CZ2-CB 4.17Å; W122-H187 AromaticContact CZ2-CD2 3.76Å; W122-H187 AromaticContact CZ2-CE1 3.69Å; W122-H187 AromaticContact CZ2-CG 3.56Å; W122-H187 AromaticContact CZ2-ND1 3.54Å; W122-H187 AromaticContact CZ2-NE2 3.81Å; H183-H187 WeakPolarHBondContact O-CB 3.34Å; H183-H187 PolarHBondContact O-N 3.33Å; V185-H187 VanDerWaalsContact C-N 3.25Å; V185-H187 PolarHBondContact O-N 3.47Å; H187-F189 PolarHBondContact O-N 3.44Å |
| 188 | L | 80.9 | Confident | 64.9 | Low | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.9 | -32.5 | 179.9 | -72.2 | 175.4 | 0 | 0 | 0 | 113.3 | A62 Q105 W106 A118 F119 I184 V185 | A62-L188 HydrophobicContact CB-CD1 4.36Å; A62-L188 HydrophobicContact CB-CD2 3.99Å; Q105-L188 PolarHBondContact NE2-O 3Å; W106-L188 PolarHBondContact NE1-O 3.19Å; A118-L188 HydrophobicContact CB-CD2 3.46Å; A118-L188 VanDerWaalsContact CB-CD2 3.46Å; F119-L188 HydrophobicContact CE1-CD2 3.93Å; F119-L188 HydrophobicContact CE1-CG 3.99Å; F119-L188 HydrophobicContact CZ-CD1 3.9Å; F119-L188 HydrophobicContact CZ-CD2 3.75Å; F119-L188 HydrophobicContact CZ-CG 3.75Å; I184-L188 WeakPolarHBondContact O-CG 3.4Å; I184-L188 PolarHBondContact O-N 3.47Å; I184-L188 VanDerWaalsContact O-N 3.16Å; V185-L188 PolarHBondContact O-N 2.72Å; V185-L188 VanDerWaalsContact O-N 3.14Å |
| 189 | F | 76.6 | Confident | 63 | Low | 11 Ų | 11 | 67.3 Ų | 67.3 | 5% | 0.048 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -124.7 | -9.2 | -167.2 | -55.2 | -72.6 | 0 | 0 | 0 | 115.4 | F57 L58 C61 P102 V185 H187 | F57-F189 HydrophobicContact CE1-CE1 4.48Å; F57-F189 HydrophobicContact CE1-CZ 4.01Å; L58-F189 HydrophobicContact CD2-CE2 3.66Å; L58-F189 HydrophobicContact CD2-CZ 4.01Å; C61-F189 HydrophobicContact CB-CZ 4.5Å; P102-F189 HydrophobicContact CB-CD1 3.35Å; P102-F189 HydrophobicContact CB-CE1 3.52Å; P102-F189 HydrophobicContact CG-CD1 4.22Å; P102-F189 HydrophobicContact CG-CE1 4.01Å; V185-F189 HydrophobicContact CB-CD2 4.41Å; V185-F189 HydrophobicContact CG1-CD2 3.6Å; V185-F189 HydrophobicContact CG1-CE2 4.05Å; V185-F189 VanDerWaalsContact O-CD2 3.23Å; V185-F189 WeakPolarHBondContact O-CD2 3.44Å; V185-F189 PolarHBondContact O-N 2.89Å; H187-F189 PolarHBondContact O-N 3.44Å |
| 190 | G | 71 | Confident | 60.9 | Low | 39 Ų | 39 | 70.2 Ų | 70.2 | 40% | 0.402 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | -156 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q186 N192 | Q186-G190 VanDerWaalsContact O-CA 3.26Å; Q186-G190 WeakPolarHBondContact O-CA 3.37Å; Q186-G190 PolarHBondContact O-N 2.89Å; G190-N192 VanDerWaalsContact C-N 3.26Å; G190-N192 PolarHBondContact O-N 3.43Å |
| 191 | S | 54.3 | Low | 58.6 | Low | 114 Ų | 114 | 73.1 Ų | 73.1 | 80% | 0.797 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -11.3 | -178.3 | -50.3 | 0 | 0 | 0 | 0 | 114.7 | R193 | S191-R193 VanDerWaalsContact C-N 3.28Å; S191-R193 PolarHBondContact O-N 3.21Å |
| 192 | N | 51.9 | Low | 56.4 | Low | 93 Ų | 93 | 78 Ų | 78 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -75.1 | 84.1 | 174.1 | -77.9 | -13.1 | 0 | 0 | 0 | 108.9 | G190 L194 | G190-N192 VanDerWaalsContact C-N 3.26Å; G190-N192 PolarHBondContact O-N 3.43Å; N192-L194 PolarHBondContact O-N 3.02Å; N192-L194 VanDerWaalsContact O-N 3.08Å |
| 193 | R | 48.3 | Very low | 54.2 | Low | 224 Ų | 224 | 81.7 Ų | 81.7 | 85% | 0.845 | 42% | 0.423 | S | S | * | . | trans | -61.1 | 110.4 | -176.4 | -65.4 | -170 | 179.6 | -169.9 | 2.2 | 110.6 | S191 | S191-R193 VanDerWaalsContact C-N 3.28Å; S191-R193 PolarHBondContact O-N 3.21Å | ||
| 194 | L | 45.6 | Very low | 51.6 | Low | 59 Ų | 59 | 87.1 Ų | 87.1 | 31% | 0.309 | 45% | 0.452 | S | S | . | . | trans | -75.1 | 125.7 | 141.1 | -69.5 | 161.2 | 0 | 0 | 0 | 105.8 | V51 I92 N192 V196 | V51-L194 HydrophobicContact CG1-CD1 3.81Å; V51-L194 HydrophobicContact CG1-CD2 4.35Å; I92-L194 HydrophobicContact CD1-CD1 3.74Å; I92-L194 HydrophobicContact CD1-CD2 4.34Å; I92-L194 HydrophobicContact CD1-CG 4.19Å; N192-L194 PolarHBondContact O-N 3.02Å; N192-L194 VanDerWaalsContact O-N 3.08Å; L194-V196 HydrophobicContact CB-CG2 3.58Å; L194-V196 HydrophobicContact CD1-CG2 4.23Å; L194-V196 PolarHBondContact O-N 3.15Å | ||
| 195 | D | 43.3 | Very low | 49.1 | Very low | 148 Ų | 148 | 92.8 Ų | 92.8 | 79% | 0.791 | 49% | 0.489 | S | S | * | . | trans | -67.7 | 68.5 | 162 | -85.5 | -28.7 | 0 | 0 | 0 | 108.6 | N197 | D195-N197 PolarHBondContact O-N 3.5Š| ||
| 196 | V | 41.9 | Very low | 46.7 | Very low | 28 Ų | 28 | 96.5 Ų | 96.5 | 17% | 0.17 | 52% | 0.516 | C | S | . | . | trans | -75.5 | 80.2 | 168.3 | 175.4 | 0 | 0 | 0 | 0 | 106.5 | P53 V185 L194 F198 | P53-V196 HydrophobicContact CB-CB 4.3Å; P53-V196 HydrophobicContact CB-CG1 3.3Å; P53-V196 HydrophobicContact CB-CG2 4.31Å; V185-V196 HydrophobicContact CG1-CB 4.33Å; V185-V196 HydrophobicContact CG1-CG2 4.34Å; L194-V196 HydrophobicContact CB-CG2 3.58Å; L194-V196 HydrophobicContact CD1-CG2 4.23Å; L194-V196 PolarHBondContact O-N 3.15Å; V196-F198 HydrophobicContact CG1-CE2 4.43Å; V196-F198 PolarHBondContact O-N 3.09Å | ||
| 197 | N | 38.8 | Very low | 44.4 | Very low | 99 Ų | 99 | 94.2 Ų | 94.2 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | trans | -64 | 102.4 | 170.5 | -115.1 | -10.2 | 0 | 0 | 0 | 108.3 | D195 N199 E200 | D195-N197 PolarHBondContact O-N 3.5Å; N197-N199 PolarHBondContact O-N 2.96Å; N197-E200 PolarHBondContact O-N 3.41Å | ||
| 198 | F | 35.3 | Very low | 41.7 | Very low | 46 Ų | 46 | 95.6 Ų | 95.6 | 20% | 0.202 | 54% | 0.536 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 1.9 | 173.5 | -86 | -76.3 | 0 | 0 | 0 | 114.3 | L58 F137 V185 V196 | L58-F198 HydrophobicContact CD1-CE1 4.17Å; L58-F198 HydrophobicContact CD1-CZ 4.15Å; F137-F198 HydrophobicContact CE1-CD1 4.17Å; F137-F198 AromaticContact CE1-CE1 3.58Å; F137-F198 HydrophobicContact CE1-CE1 3.58Å; F137-F198 HydrophobicContact CE1-CZ 4.05Å; F137-F198 AromaticContact CZ-CD1 3.86Å; F137-F198 HydrophobicContact CZ-CD1 3.86Å; F137-F198 AromaticContact CZ-CE1 3.77Å; F137-F198 HydrophobicContact CZ-CE1 3.77Å; F137-F198 HydrophobicContact CZ-CZ 4.47Å; V185-F198 HydrophobicContact CB-CE2 4.3Å; V185-F198 HydrophobicContact CG2-CE2 3.4Å; V185-F198 HydrophobicContact CG2-CZ 3.36Å; V196-F198 HydrophobicContact CG1-CE2 4.43Å; V196-F198 PolarHBondContact O-N 3.09Å |
| 199 | N | 34.7 | Very low | 39.1 | Very low | 115 Ų | 115 | 100.8 Ų | 100.8 | 62% | 0.615 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -10.7 | 179.1 | -92.1 | 7.9 | 0 | 0 | 0 | 114.1 | K165 N197 | K165-N199 PolarHBondContact NZ-OD1 3.14Å; N197-N199 PolarHBondContact O-N 2.96Å |
| 200 | E | 30.6 | Very low | 37 | Very low | 136 Ų | 136 | 105 Ų | 105 | 64% | 0.636 | 60% | 0.596 | S | S | * | * | trans | -136.1 | 95.9 | -176.9 | -73.7 | 172.2 | 166 | 0 | 0 | 109.1 | N197 | N197-E200 PolarHBondContact O-N 3.41Š| ||
| 201 | M | 29.5 | Very low | 34.8 | Very low | 120 Ų | 120 | 110.2 Ų | 110.2 | 59% | 0.591 | 61% | 0.614 | S | S | * | * | trans | -102.3 | 72.2 | 158.2 | -93.5 | -173.4 | -163.5 | 0 | 0 | 107.4 | P53 | P53-M201 VanDerWaalsContact C-CE 3.42Å; P53-M201 HydrophobicContact CG-CG 4.39Å; P53-M201 WeakPolarHBondContact O-CE 3.47Å | ||
| 202 | D | 28.5 | Very low | 33.8 | Very low | 109 Ų | 109 | 111 Ų | 111 | 58% | 0.583 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -166.9 | 138.8 | 139.1 | -96.4 | -41.3 | 0 | 0 | 0 | 105.7 | K14 | K14-D202 IonicContact NZ-OD1 3.92Å; K14-D202 PolarHBondContact NZ-OD1 3.48Å |
| 203 | D | 28.1 | Very low | 33 | Very low | 142 Ų | 142 | 114.7 Ų | 114.7 | 76% | 0.759 | 64% | 0.638 | S | S | * | * | trans | 71.9 | 96.8 | 169.3 | -53.5 | -26.1 | 0 | 0 | 0 | 118.8 | ||||
| 204 | L | 24.7 | Very low | 32.6 | Very low | 147 Ų | 147 | 110.9 Ų | 110.9 | 77% | 0.77 | 63% | 0.634 | S | S | * | * | trans | -144.5 | 126.4 | 144.9 | -156 | 80.6 | 0 | 0 | 0 | 110.3 | ||||
| 205 | P | 29.6 | Very low | 33.2 | Very low | 118 Ų | 118 | 109.9 Ų | 109.9 | 77% | 0.766 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 131.7 | 149.5 | 10.1 | 8.8 | 0 | 0 | 0 | 109.8 | ||
| 206 | S | 27 | Very low | 34.8 | Very low | 95 Ų | 95 | 105.3 Ų | 105.3 | 66% | 0.664 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 139 | 171 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 207 | G | 27.8 | Very low | 36.6 | Very low | 68 Ų | 68 | 106.6 Ų | 106.6 | 70% | 0.701 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 151 | 160.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 208 | T | 26.5 | Very low | 38.7 | Very low | 95 Ų | 95 | 107.5 Ų | 107.5 | 58% | 0.583 | 63% | 0.626 | S | S | * | * | trans | -156.3 | 123.3 | 147.3 | -47.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 209 | K | 26.6 | Very low | 40.9 | Very low | 111 Ų | 111 | 106.2 Ų | 106.2 | 48% | 0.483 | 62% | 0.621 | S | S | . | * | trans | 61.7 | 125.1 | 149.8 | -69.7 | 176.6 | -174 | -162.1 | 0 | 121.4 | S95 S97 N211 | S95-K209 WeakPolarHBondContact O-CE 3.49Å; S95-K209 PolarHBondContact O-NZ 3.15Å; S97-K209 VanDerWaalsContact CB-NZ 3.3Å; S97-K209 PolarHBondContact OG-NZ 3.39Å; K209-N211 PolarHBondContact O-N 2.87Å | ||
| 210 | A | 33.3 | Very low | 43.5 | Very low | 100 Ų | 100 | 101.5 Ų | 101.5 | 83% | 0.826 | 60% | 0.595 | S | S | * | * | trans | -49.5 | 110.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 211 | N | 24.8 | Very low | 46 | Very low | 147 Ų | 147 | 96.5 Ų | 96.5 | 79% | 0.786 | 58% | 0.577 | S | S | * | * | trans | -109.8 | 138.8 | 133.8 | -86.3 | -20.9 | 0 | 0 | 0 | 106.7 | K209 L213 | K209-N211 PolarHBondContact O-N 2.87Å; N211-L213 PolarHBondContact O-N 3.14Å | ||
| 212 | C | 32.7 | Very low | 48.7 | Very low | 130 Ų | 130 | 94.7 Ų | 94.7 | 88% | 0.878 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -53 | 126.1 | 173.3 | -163.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 213 | L | 36.6 | Very low | 51.3 | Low | 172 Ų | 172 | 89.7 Ų | 89.7 | 90% | 0.901 | 54% | 0.54 | S | S | * | . | trans | 96.6 | 62 | -166.5 | -60.7 | 150.2 | 0 | 0 | 0 | 114.9 | N211 | N211-L213 PolarHBondContact O-N 3.14Š| ||
| 214 | D | 39.8 | Very low | 54 | Low | 143 Ų | 143 | 87.4 Ų | 87.4 | 77% | 0.765 | 52% | 0.521 | S | S | * | . | trans | -135.2 | 114.6 | 153.5 | -117.9 | -10.8 | 0 | 0 | 0 | 107.5 | ||||
| 215 | G | 56.7 | Low | 56.8 | Low | 38 Ų | 38 | 85.2 Ų | 85.2 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | trans | -63 | 177.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S217 | G215-S217 PolarHBondContact O-N 3.25Š| ||
| 216 | F | 78.1 | Confident | 59.4 | Low | 53 Ų | 53 | 82.7 Ų | 82.7 | 23% | 0.232 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 10.5 | 177.9 | -60.4 | -83.2 | 0 | 0 | 0 | 114.6 | N218 L219 E220 A807 H811 K815 V816 W820 | F216-N218 PolarHBondContact O-N 2.98Å; F216-L219 HydrophobicContact CD1-CD2 4.46Å; F216-L219 WeakPolarHBondContact O-CA 3.49Å; F216-L219 WeakPolarHBondContact O-CB 3.18Å; F216-L219 PolarHBondContact O-N 2.99Å; F216-L219 VanDerWaalsContact O-N 3.07Å; F216-E220 PolarHBondContact O-N 3.39Å; F216-A807 HydrophobicContact CD1-CB 4.39Å; F216-A807 HydrophobicContact CE1-CB 3.9Å; F216-H811 HydrophobicContact CZ-CB 4.33Å; F216-H811 AromaticContact CZ-CD2 3.54Å; F216-K815 WeakPolarHBondContact CD2-O 3.45Å; F216-K815 HydrophobicContact CE2-CG 4.43Å; F216-K815 VanDerWaalsContact CE2-O 3.29Å; F216-K815 WeakPolarHBondContact CE2-O 3.34Å; F216-V816 HydrophobicContact CB-CG1 4.37Å; F216-V816 WeakPolarHBondContact CB-O 3.48Å; F216-V816 HydrophobicContact CD1-CG1 3.97Å; F216-V816 HydrophobicContact CD1-CG2 4.42Å; F216-V816 VanDerWaalsContact CD2-CA 3.48Å; F216-V816 HydrophobicContact CD2-CB 4.39Å; F216-V816 HydrophobicContact CD2-CG1 4.49Å; F216-V816 WeakPolarHBondContact CD2-O 3.37Å; F216-V816 HydrophobicContact CE1-CG1 4.39Å; F216-V816 HydrophobicContact CE1-CG2 4.03Å; F216-V816 HydrophobicContact CE2-CB 4.45Å; F216-V816 HydrophobicContact CE2-CG2 4.21Å; F216-V816 HydrophobicContact CG-CB 4.42Å; F216-V816 HydrophobicContact CG-CG1 4.03Å; F216-V816 WeakPolarHBondContact CG-O 3.26Å; F216-V816 HydrophobicContact CZ-CG2 3.91Å; F216-W820 HydrophobicContact CB-CZ2 4.04Å; F216-W820 PolarHBondContact O-NE1 3.17Å |
| 217 | S | 79.6 | Confident | 62.1 | Low | 54 Ų | 54 | 78.6 Ų | 78.6 | 38% | 0.378 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.9 | -33.4 | -179.1 | -47.8 | 0 | 0 | 0 | 0 | 113.9 | G215 L219 E220 A221 | G215-S217 PolarHBondContact O-N 3.25Å; S217-L219 VanDerWaalsContact C-N 3.33Å; S217-E220 WeakPolarHBondContact O-CB 3.32Å; S217-E220 PolarHBondContact O-N 2.93Å; S217-A221 PolarHBondContact O-N 3.42Å |
| 218 | N | 81.6 | Confident | 64.6 | Low | 118 Ų | 118 | 77.3 Ų | 77.3 | 63% | 0.631 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.3 | -37.9 | 172.3 | -78.4 | -33.1 | 0 | 0 | 0 | 111.5 | F216 A221 E222 | F216-N218 PolarHBondContact O-N 2.98Å; N218-A221 PolarHBondContact O-N 2.99Å; N218-E222 WeakPolarHBondContact O-CG 3.4Å; N218-E222 PolarHBondContact O-N 3.37Å; N218-E222 VanDerWaalsContact O-N 3.11Å |
| 219 | L | 83.2 | Confident | 67.2 | Low | 20 Ų | 20 | 79.8 Ų | 79.8 | 11% | 0.105 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 176.4 | -175.9 | 63.9 | 0 | 0 | 0 | 110.9 | F216 S217 A221 E222 L223 L800 K803 L804 A807 W820 | F216-L219 HydrophobicContact CD1-CD2 4.46Å; F216-L219 WeakPolarHBondContact O-CA 3.49Å; F216-L219 WeakPolarHBondContact O-CB 3.18Å; F216-L219 PolarHBondContact O-N 2.99Å; F216-L219 VanDerWaalsContact O-N 3.07Å; S217-L219 VanDerWaalsContact C-N 3.33Å; L219-A221 PolarHBondContact O-N 3.14Å; L219-E222 PolarHBondContact O-N 3.07Å; L219-L223 HydrophobicContact CD1-CD1 4.36Å; L219-L223 HydrophobicContact CG-CD1 3.95Å; L219-L223 WeakPolarHBondContact O-CB 3.36Å; L219-L223 WeakPolarHBondContact O-CG 3.49Å; L219-L223 PolarHBondContact O-N 3.11Å; L219-L800 HydrophobicContact CD1-CD1 3.85Å; L219-K803 HydrophobicContact CD1-CB 4.16Å; L219-L804 HydrophobicContact CD2-CB 4.36Å; L219-L804 HydrophobicContact CD2-CD1 3.91Å; L219-A807 HydrophobicContact CD2-CB 4.44Å; L219-W820 HydrophobicContact CB-CZ2 4.4Å; L219-W820 HydrophobicContact CD2-CH2 4.5Å; L219-W820 HydrophobicContact CD2-CZ2 4.27Å; L219-W820 HydrophobicContact CG-CZ2 4.32Å |
| 220 | E | 87.9 | Confident | 69.8 | Low | 15 Ų | 15 | 76.5 Ų | 76.5 | 7% | 0.07 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -55.9 | -48.4 | 172.1 | -170.3 | -165.2 | 172.2 | 0 | 0 | 111.7 | F216 S217 E222 L223 R224 W820 T821 D822 A825 | F216-E220 PolarHBondContact O-N 3.39Å; S217-E220 WeakPolarHBondContact O-CB 3.32Å; S217-E220 PolarHBondContact O-N 2.93Å; E220-E222 PolarHBondContact O-N 3.27Å; E220-L223 PolarHBondContact O-N 2.91Å; E220-R224 WeakPolarHBondContact O-CB 3.44Å; E220-R224 PolarHBondContact O-N 3.42Å; E220-W820 HydrophobicContact CB-CD2 3.78Å; E220-W820 HydrophobicContact CB-CE3 4.4Å; E220-W820 HydrophobicContact CB-CG 3.89Å; E220-W820 HydrophobicContact CB-CZ2 4.3Å; E220-W820 HydrophobicContact CG-CB 3.99Å; E220-W820 HydrophobicContact CG-CD2 3.74Å; E220-W820 HydrophobicContact CG-CE3 4.15Å; E220-W820 HydrophobicContact CG-CG 3.65Å; E220-W820 WeakPolarHBondContact OE2-CA 3.28Å; E220-T821 PolarHBondContact OE1-N 3.31Å; E220-T821 PolarHBondContact OE1-OG1 3Å; E220-D822 PolarHBondContact OE1-N 3.29Å; E220-A825 HydrophobicContact CG-CB 3.83Å |
| 221 | A | 84.5 | Confident | 72 | Confident | 31 Ų | 31 | 72.9 Ų | 72.9 | 26% | 0.256 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S217 N218 L219 N225 | S217-A221 PolarHBondContact O-N 3.42Å; N218-A221 PolarHBondContact O-N 2.99Å; L219-A221 PolarHBondContact O-N 3.14Å; A221-N225 WeakPolarHBondContact O-CB 3.25Å; A221-N225 VanDerWaalsContact O-CG 3.26Å; A221-N225 PolarHBondContact O-N 3.49Å; A221-N225 VanDerWaalsContact O-N 3.09Å; A221-N225 PolarHBondContact O-ND2 3.22Å |
| 222 | E | 84.1 | Confident | 74.5 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 39% | 0.388 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 174.5 | -71.2 | -175.7 | -177.7 | 0 | 0 | 111.3 | N218 L219 E220 N225 F226 L800 K803 | N218-E222 WeakPolarHBondContact O-CG 3.4Å; N218-E222 PolarHBondContact O-N 3.37Å; N218-E222 VanDerWaalsContact O-N 3.11Å; L219-E222 PolarHBondContact O-N 3.07Å; E220-E222 PolarHBondContact O-N 3.27Å; E222-N225 PolarHBondContact O-N 3.18Å; E222-F226 WeakPolarHBondContact O-CB 3.37Å; E222-F226 PolarHBondContact O-N 3.39Å; E222-L800 HydrophobicContact CB-CD1 3.36Å; E222-L800 HydrophobicContact CB-CD2 4.28Å; E222-L800 HydrophobicContact CB-CG 4.47Å; E222-L800 HydrophobicContact CG-CD1 4.31Å; E222-L800 WeakPolarHBondContact O-CD2 3.47Å; E222-L800 WeakPolarHBondContact OE2-CD1 3.47Å; E222-K803 IonicContact OE1-NZ 3.49Å; E222-K803 PolarHBondContact OE1-NZ 3.38Å; E222-K803 IonicContact OE2-NZ 2.78Å; E222-K803 PolarHBondContact OE2-NZ 3.37Å |
| 223 | L | 84.1 | Confident | 76.8 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.016 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 178.2 | -75.8 | 166.9 | 0 | 0 | 0 | 112.7 | L219 E220 N225 F226 A227 L800 L804 W820 A825 L828 | L219-L223 HydrophobicContact CD1-CD1 4.36Å; L219-L223 HydrophobicContact CG-CD1 3.95Å; L219-L223 WeakPolarHBondContact O-CB 3.36Å; L219-L223 WeakPolarHBondContact O-CG 3.49Å; L219-L223 PolarHBondContact O-N 3.11Å; E220-L223 PolarHBondContact O-N 2.91Å; L223-N225 PolarHBondContact O-N 3.35Å; L223-F226 WeakPolarHBondContact O-CB 3.48Å; L223-F226 PolarHBondContact O-N 3.1Å; L223-A227 WeakPolarHBondContact O-CB 3.42Å; L223-A227 PolarHBondContact O-N 3.47Å; L223-L800 HydrophobicContact CB-CD2 4.42Å; L223-L800 HydrophobicContact CD2-CD1 4.45Å; L223-L800 HydrophobicContact CD2-CD2 3.62Å; L223-L800 HydrophobicContact CD2-CG 3.7Å; L223-L800 HydrophobicContact CG-CD1 4.32Å; L223-L800 HydrophobicContact CG-CD2 4Å; L223-L800 HydrophobicContact CG-CG 4.08Å; L223-L804 HydrophobicContact CD1-CD1 4.17Å; L223-L804 HydrophobicContact CD1-CD2 3.83Å; L223-L804 HydrophobicContact CD1-CG 4.43Å; L223-L804 HydrophobicContact CD2-CD2 3.98Å; L223-W820 HydrophobicContact CD1-CH2 3.47Å; L223-W820 VanDerWaalsContact CD1-CH2 3.47Å; L223-W820 HydrophobicContact CD1-CZ2 4.41Å; L223-W820 HydrophobicContact CD1-CZ3 3.87Å; L223-A825 HydrophobicContact CB-CB 3.97Å; L223-L828 HydrophobicContact CD2-CB 4.47Å; L223-L828 HydrophobicContact CD2-CD1 4.24Å |
| 224 | R | 85.8 | Confident | 79 | Confident | 95 Ų | 95 | 59.3 Ų | 59.3 | 36% | 0.358 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.5 | -49.1 | 173.1 | 176.7 | -179.3 | 68.8 | -164.9 | -3.2 | 111.3 | E220 F226 A227 V228 D822 | E220-R224 WeakPolarHBondContact O-CB 3.44Å; E220-R224 PolarHBondContact O-N 3.42Å; R224-F226 VanDerWaalsContact C-N 3.31Å; R224-F226 PolarHBondContact O-N 3.33Å; R224-A227 PolarHBondContact O-N 2.98Å; R224-V228 HydrophobicContact CG-CG2 4.46Å; R224-V228 WeakPolarHBondContact O-CG2 3.49Å; R224-V228 PolarHBondContact O-N 3.37Å; R224-D822 HydrophobicContact CB-CB 4.48Å; R224-D822 WeakPolarHBondContact CD-OD2 3.31Å; R224-D822 HydrophobicContact CG-CB 4.41Å; R224-D822 WeakPolarHBondContact CG-OD2 3.47Å |
| 225 | N | 83.1 | Confident | 81.1 | Confident | 100 Ų | 100 | 54.7 Ų | 54.7 | 54% | 0.535 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | -179.8 | -73.4 | -17.4 | 0 | 0 | 0 | 111.7 | A221 E222 L223 K229 | A221-N225 WeakPolarHBondContact O-CB 3.25Å; A221-N225 VanDerWaalsContact O-CG 3.26Å; A221-N225 PolarHBondContact O-N 3.49Å; A221-N225 VanDerWaalsContact O-N 3.09Å; A221-N225 PolarHBondContact O-ND2 3.22Å; E222-N225 PolarHBondContact O-N 3.18Å; L223-N225 PolarHBondContact O-N 3.35Å; N225-K229 VanDerWaalsContact O-CB 3.26Å; N225-K229 WeakPolarHBondContact O-CB 3.47Å; N225-K229 PolarHBondContact O-N 3.3Å |
| 226 | F | 84.4 | Confident | 82.4 | Confident | 66 Ų | 66 | 54.1 Ų | 54.1 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61 | -49.1 | 172.8 | 174.1 | -95 | 0 | 0 | 0 | 111.7 | E222 L223 R224 K229 K230 L800 L828 | E222-F226 WeakPolarHBondContact O-CB 3.37Å; E222-F226 PolarHBondContact O-N 3.39Å; L223-F226 WeakPolarHBondContact O-CB 3.48Å; L223-F226 PolarHBondContact O-N 3.1Å; R224-F226 VanDerWaalsContact C-N 3.31Å; R224-F226 PolarHBondContact O-N 3.33Å; F226-K229 PolarHBondContact O-N 3.35Å; F226-K230 WeakPolarHBondContact O-CB 3.41Å; F226-K230 PolarHBondContact O-N 3.38Å; F226-L800 HydrophobicContact CB-CD2 3.52Å; F226-L800 HydrophobicContact CG-CD2 3.99Å; F226-L828 HydrophobicContact CD1-CD1 4.15Å |
| 227 | A | 82 | Confident | 82.3 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 7% | 0.066 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59 | -50.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L223 R224 K229 K230 E231 R824 L828 | L223-A227 WeakPolarHBondContact O-CB 3.42Å; L223-A227 PolarHBondContact O-N 3.47Å; R224-A227 PolarHBondContact O-N 2.98Å; A227-K229 VanDerWaalsContact C-N 3.34Å; A227-K229 PolarHBondContact O-N 2.6Å; A227-K230 PolarHBondContact O-N 3.34Å; A227-K230 VanDerWaalsContact O-N 3.09Å; A227-E231 WeakPolarHBondContact O-CB 3.29Å; A227-E231 WeakPolarHBondContact O-CG 3.3Å; A227-E231 PolarHBondContact O-N 3.29Å; A227-R824 HydrophobicContact CB-CB 4.15Å; A227-L828 HydrophobicContact CB-CD1 3.94Å |
| 228 | V | 82.3 | Confident | 82.4 | Confident | 41 Ų | 41 | 53.8 Ų | 53.8 | 25% | 0.248 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 177.8 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | R224 K230 G232 F488 | R224-V228 HydrophobicContact CG-CG2 4.46Å; R224-V228 WeakPolarHBondContact O-CG2 3.49Å; R224-V228 PolarHBondContact O-N 3.37Å; V228-K230 VanDerWaalsContact C-N 3.3Å; V228-K230 PolarHBondContact O-N 3.03Å; V228-G232 PolarHBondContact O-N 2.86Å; V228-F488 HydrophobicContact CG1-CE1 4.29Å; V228-F488 HydrophobicContact CG1-CZ 4.29Å; V228-F488 WeakPolarHBondContact O-CZ 3.38Å |
| 229 | K | 80.8 | Confident | 82 | Confident | 147 Ų | 147 | 54.4 Ų | 54.4 | 64% | 0.639 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66.2 | -32.8 | 178.4 | -173.7 | 176.4 | -176.3 | 176.8 | 0 | 112.1 | N225 F226 A227 R233 | N225-K229 VanDerWaalsContact O-CB 3.26Å; N225-K229 WeakPolarHBondContact O-CB 3.47Å; N225-K229 PolarHBondContact O-N 3.3Å; F226-K229 PolarHBondContact O-N 3.35Å; A227-K229 VanDerWaalsContact C-N 3.34Å; A227-K229 PolarHBondContact O-N 2.6Å; K229-R233 WeakPolarHBondContact O-CG 3.38Å; K229-R233 PolarHBondContact O-NE 3.18Å |
| 230 | K | 80.4 | Confident | 81.6 | Confident | 43 Ų | 43 | 59 Ų | 59 | 19% | 0.187 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -75.5 | -45.9 | 178.2 | -174.1 | 76.4 | -178.6 | -170 | 0 | 110.8 | F226 A227 V228 G232 R233 R235 K783 E784 | F226-K230 WeakPolarHBondContact O-CB 3.41Å; F226-K230 PolarHBondContact O-N 3.38Å; A227-K230 PolarHBondContact O-N 3.34Å; A227-K230 VanDerWaalsContact O-N 3.09Å; V228-K230 VanDerWaalsContact C-N 3.3Å; V228-K230 PolarHBondContact O-N 3.03Å; K230-G232 VanDerWaalsContact C-N 3.35Å; K230-G232 PolarHBondContact O-N 3.38Å; K230-R233 PolarHBondContact O-N 2.98Å; K230-R235 PolarHBondContact O-NH1 3.05Å; K230-R235 PolarHBondContact O-NH2 3.15Å; K230-R235 VanDerWaalsContact O-NH2 3.13Å; K230-K783 WeakPolarHBondContact CE-O 3.2Å; K230-K783 PolarHBondContact NZ-O 2.89Å; K230-E784 VanDerWaalsContact CE-O 3.26Å; K230-E784 WeakPolarHBondContact CE-O 3.25Å; K230-E784 WeakPolarHBondContact CG-O 3.43Å |
| 231 | E | 79.5 | Confident | 81.1 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.2 | -36.8 | 178.5 | -71.9 | 176.4 | 166 | 0 | 0 | 112.5 | A227 R233 R235 F488 R529 R785 R824 | A227-E231 WeakPolarHBondContact O-CB 3.29Å; A227-E231 WeakPolarHBondContact O-CG 3.3Å; A227-E231 PolarHBondContact O-N 3.29Å; E231-R233 VanDerWaalsContact C-N 3.33Å; E231-R233 PolarHBondContact O-N 3.42Å; E231-R235 PolarHBondContact O-NH1 3.04Å; E231-F488 HydrophobicContact CB-CE2 3.57Å; E231-F488 HydrophobicContact CB-CZ 3.68Å; E231-R529 PolarHBondContact O-NH2 2.94Å; E231-R785 IonicContact OE1-CZ 3.73Å; E231-R785 IonicContact OE1-NH1 3.39Å; E231-R785 PolarHBondContact OE1-NH1 3Å; E231-R824 IonicContact OE2-NH1 2.88Å |
| 232 | G | 77.1 | Confident | 80 | Confident | 18 Ų | 18 | 61 Ų | 61 | 19% | 0.186 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | V228 K230 Q485 | V228-G232 PolarHBondContact O-N 2.86Å; K230-G232 VanDerWaalsContact C-N 3.35Å; K230-G232 PolarHBondContact O-N 3.38Å; G232-Q485 PolarHBondContact O-OE1 3.04Å |
| 233 | R | 81.4 | Confident | 78.8 | Confident | 124 Ų | 124 | 60.2 Ų | 60.2 | 47% | 0.468 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -68.5 | 144.9 | 178.5 | -76.5 | 169.3 | -166.3 | -155.3 | 5.3 | 111.8 | K229 K230 E231 R235 Q485 | K229-R233 WeakPolarHBondContact O-CG 3.38Å; K229-R233 PolarHBondContact O-NE 3.18Å; K230-R233 PolarHBondContact O-N 2.98Å; E231-R233 VanDerWaalsContact C-N 3.33Å; E231-R233 PolarHBondContact O-N 3.42Å; R233-R235 WeakPolarHBondContact O-CD 3.49Å; R233-R235 PolarHBondContact O-NH1 3.46Å; R233-Q485 PolarHBondContact O-NE2 3.35Å |
| 234 | P | 82.1 | Confident | 77.7 | Confident | 22 Ų | 22 | 62.9 Ų | 62.9 | 14% | 0.143 | 32% | 0.321 | C | S | . | . | trans | -67.2 | 134.4 | 166.3 | 27.4 | -32.1 | 0 | 0 | 0 | 110.5 | N402 F406 E481 | P234-N402 HydrophobicContact CB-CB 4.02Å; P234-N402 VanDerWaalsContact CB-CG 3.48Å; P234-N402 WeakPolarHBondContact CB-ND2 3.37Å; P234-N402 HydrophobicContact CG-CB 4.34Å; P234-F406 HydrophobicContact CG-CD2 4.31Å; P234-F406 HydrophobicContact CG-CE2 4.1Å; P234-E481 WeakPolarHBondContact CA-OE1 3.46Å | ||
| 235 | R | 83.8 | Confident | 75.9 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 17% | 0.174 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -89.2 | -36.1 | 175.5 | -80.5 | 65.6 | 177 | 140 | 5.7 | 112.3 | K230 E231 R233 E481 R529 E784 | K230-R235 PolarHBondContact O-NH1 3.05Å; K230-R235 PolarHBondContact O-NH2 3.15Å; K230-R235 VanDerWaalsContact O-NH2 3.13Å; E231-R235 PolarHBondContact O-NH1 3.04Å; R233-R235 WeakPolarHBondContact O-CD 3.49Å; R233-R235 PolarHBondContact O-NH1 3.46Å; R235-E481 PolarHBondContact N-OE1 3.35Å; R235-R529 HydrophobicContact CG-CB 4.36Å; R235-E784 VanDerWaalsContact CG-OE1 3.31Å; R235-E784 WeakPolarHBondContact CG-OE1 3.4Å; R235-E784 IonicContact CZ-OE2 2.79Å; R235-E784 IonicContact NE-OE1 3.17Å; R235-E784 PolarHBondContact NE-OE1 3.34Å; R235-E784 IonicContact NE-OE2 2.94Å; R235-E784 PolarHBondContact NE-OE2 3.3Å; R235-E784 IonicContact NH2-OE2 3.77Å; R235-E784 PolarHBondContact NH2-OE2 2.93Å |
| 236 | L | 84.2 | Confident | 74.4 | Confident | 26 Ų | 26 | 68.5 Ų | 68.5 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | trans | -97.7 | 114.5 | -179.1 | -59.6 | 177.7 | 0 | 0 | 0 | 109.8 | F238 L398 N402 S477 E481 | L236-F238 HydrophobicContact CB-CE2 4.07Å; L236-F238 HydrophobicContact CB-CZ 3.95Å; L236-F238 HydrophobicContact CD1-CZ 4.33Å; L236-L398 HydrophobicContact CB-CD2 4.25Å; L236-L398 HydrophobicContact CD1-CD2 4.16Å; L236-N402 PolarHBondContact O-ND2 3.43Å; L236-S477 WeakPolarHBondContact CD1-O 3.07Å; L236-E481 HydrophobicContact CB-CG 4.32Å; L236-E481 HydrophobicContact CD1-CB 3.94Å; L236-E481 HydrophobicContact CD1-CG 4.34Å; L236-E481 HydrophobicContact CG-CB 4.39Å; L236-E481 HydrophobicContact CG-CG 4.29Å | ||
| 237 | C | 76.5 | Confident | 72.8 | Confident | 70 Ų | 70 | 66.4 Ų | 66.4 | 47% | 0.473 | 34% | 0.335 | S | S | . | . | trans | -121.6 | 112.5 | 177.1 | -68.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 238 | F | 81.3 | Confident | 71.4 | Confident | 30 Ų | 30 | 70.7 Ų | 70.7 | 13% | 0.132 | 35% | 0.354 | C | S | . | . | trans | -97.1 | 96.8 | 179.7 | -58.2 | -67.4 | 0 | 0 | 0 | 109.1 | L236 E240 F241 K395 L398 H399 V478 | L236-F238 HydrophobicContact CB-CE2 4.07Å; L236-F238 HydrophobicContact CB-CZ 3.95Å; L236-F238 HydrophobicContact CD1-CZ 4.33Å; F238-E240 HydrophobicContact CB-CG 4.23Å; F238-E240 PolarHBondContact O-N 2.88Å; F238-F241 HydrophobicContact CB-CD2 3.38Å; F238-F241 HydrophobicContact CB-CE2 3.51Å; F238-F241 HydrophobicContact CD2-CE2 4.31Å; F238-F241 HydrophobicContact CG-CD2 4.27Å; F238-F241 AromaticContact CG-CE2 3.97Å; F238-F241 HydrophobicContact CG-CE2 3.97Å; F238-F241 PolarHBondContact O-N 3.23Å; F238-K395 HydrophobicContact CD1-CB 4.45Å; F238-K395 HydrophobicContact CD1-CD 4.05Å; F238-K395 HydrophobicContact CD1-CG 4.35Å; F238-K395 HydrophobicContact CD2-CB 4Å; F238-K395 HydrophobicContact CD2-CG 4.41Å; F238-K395 HydrophobicContact CE1-CB 4.34Å; F238-K395 HydrophobicContact CE1-CD 3.6Å; F238-K395 HydrophobicContact CE1-CG 3.81Å; F238-K395 HydrophobicContact CE2-CB 3.86Å; F238-K395 HydrophobicContact CE2-CG 3.87Å; F238-K395 HydrophobicContact CG-CB 4.31Å; F238-K395 HydrophobicContact CZ-CB 4.05Å; F238-K395 HydrophobicContact CZ-CD 3.9Å; F238-K395 HydrophobicContact CZ-CG 3.55Å; F238-L398 HydrophobicContact CE2-CD2 4.05Å; F238-L398 HydrophobicContact CE2-CG 4.46Å; F238-H399 PolarHBondContact O-CE1 3.11Å; F238-H399 PolarHBondContact O-ND1 3.37Å; F238-V478 HydrophobicContact CE2-CG2 4.46Å; F238-V478 HydrophobicContact CZ-CG2 4.1Å | ||
| 239 | L | 72.8 | Confident | 69.6 | Low | 131 Ų | 131 | 77.8 Ų | 77.8 | 69% | 0.686 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -67.4 | -25.4 | -177.8 | -61.7 | 177.4 | 0 | 0 | 0 | 112.2 | F241 L242 | L239-F241 PolarHBondContact O-N 3.49Å; L239-F241 VanDerWaalsContact O-N 3.09Å; L239-L242 HydrophobicContact CB-CD1 4.17Å; L239-L242 HydrophobicContact CD2-CD1 3.42Å; L239-L242 VanDerWaalsContact CD2-CD1 3.42Å; L239-L242 HydrophobicContact CD2-CG 4.47Å; L239-L242 HydrophobicContact CG-CD1 4.4Å; L239-L242 VanDerWaalsContact O-CB 3.31Å; L239-L242 WeakPolarHBondContact O-CB 3.32Å; L239-L242 WeakPolarHBondContact O-CG 3.29Å; L239-L242 PolarHBondContact O-N 3.19Å |
| 240 | E | 76.3 | Confident | 67.7 | Low | 117 Ų | 117 | 76.4 Ų | 76.4 | 55% | 0.547 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -53.7 | -28.3 | 175.8 | 63.5 | -168 | -176.1 | 0 | 0 | 112.9 | F238 Y244 | F238-E240 HydrophobicContact CB-CG 4.23Å; F238-E240 PolarHBondContact O-N 2.88Å; E240-Y244 VanDerWaalsContact O-CE2 3.3Å; E240-Y244 WeakPolarHBondContact O-CE2 3.31Å |
| 241 | F | 75.9 | Confident | 66.1 | Low | 6 Ų | 6 | 82.8 Ų | 82.8 | 3% | 0.026 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -86.4 | -6.5 | 178.7 | -56.2 | -63.5 | 0 | 0 | 0 | 114.9 | F238 L239 G243 Y244 W327 M392 K395 H399 | F238-F241 HydrophobicContact CB-CD2 3.38Å; F238-F241 HydrophobicContact CB-CE2 3.51Å; F238-F241 HydrophobicContact CD2-CE2 4.31Å; F238-F241 HydrophobicContact CG-CD2 4.27Å; F238-F241 AromaticContact CG-CE2 3.97Å; F238-F241 HydrophobicContact CG-CE2 3.97Å; F238-F241 PolarHBondContact O-N 3.23Å; L239-F241 PolarHBondContact O-N 3.49Å; L239-F241 VanDerWaalsContact O-N 3.09Å; F241-G243 PolarHBondContact O-N 3.2Å; F241-Y244 VanDerWaalsContact CA-CD2 3.48Å; F241-Y244 HydrophobicContact CB-CD2 4.24Å; F241-Y244 HydrophobicContact CB-CE2 4.45Å; F241-Y244 HydrophobicContact CD1-CD2 4.19Å; F241-Y244 AromaticContact CD1-CE2 3.68Å; F241-Y244 HydrophobicContact CD1-CE2 3.68Å; F241-Y244 HydrophobicContact CE1-CE2 4.48Å; F241-Y244 HydrophobicContact CG-CE2 4.49Å; F241-Y244 WeakPolarHBondContact O-CD2 3.27Å; F241-Y244 PolarHBondContact O-N 3.13Å; F241-W327 AromaticContact CD1-CE2 3.96Å; F241-W327 HydrophobicContact CD1-CH2 4.31Å; F241-W327 AromaticContact CD1-CZ2 3.51Å; F241-W327 HydrophobicContact CD1-CZ2 3.51Å; F241-W327 AromaticContact CE1-CH2 3.87Å; F241-W327 HydrophobicContact CE1-CH2 3.87Å; F241-W327 AromaticContact CE1-CZ2 3.53Å; F241-W327 HydrophobicContact CE1-CZ2 3.53Å; F241-M392 HydrophobicContact CE1-CG 4.38Å; F241-M392 HydrophobicContact CZ-CG 4.26Å; F241-K395 HydrophobicContact CE2-CB 3.89Å; F241-K395 HydrophobicContact CZ-CB 4.11Å; F241-H399 HydrophobicContact CB-CB 4.33Å; F241-H399 HydrophobicContact CD2-CB 3.72Å; F241-H399 AromaticContact CD2-CG 3.86Å; F241-H399 HydrophobicContact CE2-CB 4.46Å; F241-H399 HydrophobicContact CG-CB 4.31Å |
| 242 | L | 62.7 | Low | 64.3 | Low | 83 Ų | 83 | 88.6 Ų | 88.6 | 44% | 0.435 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -69.1 | -19.6 | -178 | -69 | 174.9 | 0 | 0 | 0 | 113.8 | L239 M407 | L239-L242 HydrophobicContact CB-CD1 4.17Å; L239-L242 HydrophobicContact CD2-CD1 3.42Å; L239-L242 VanDerWaalsContact CD2-CD1 3.42Å; L239-L242 HydrophobicContact CD2-CG 4.47Å; L239-L242 HydrophobicContact CG-CD1 4.4Å; L239-L242 VanDerWaalsContact O-CB 3.31Å; L239-L242 WeakPolarHBondContact O-CB 3.32Å; L239-L242 WeakPolarHBondContact O-CG 3.29Å; L239-L242 PolarHBondContact O-N 3.19Å; L242-M407 HydrophobicContact CD2-CG 3.67Å; L242-M407 HydrophobicContact CD2-SD 3.85Å |
| 243 | G | 57.5 | Low | 62.8 | Low | 66 Ų | 66 | 96.3 Ų | 96.3 | 68% | 0.68 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -86.5 | -8.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | F241 R245 | F241-G243 PolarHBondContact O-N 3.2Å; G243-R245 PolarHBondContact O-N 2.95Å |
| 244 | Y | 61.1 | Low | 61.3 | Low | 59 Ų | 59 | 93.2 Ų | 93.2 | 23% | 0.231 | 48% | 0.48 | C | S | . | . | trans | -74.6 | 112.3 | -175.6 | -73.5 | -109.2 | 0 | 0 | 0 | 110.1 | E240 F241 I322 P325 W327 | E240-Y244 VanDerWaalsContact O-CE2 3.3Å; E240-Y244 WeakPolarHBondContact O-CE2 3.31Å; F241-Y244 VanDerWaalsContact CA-CD2 3.48Å; F241-Y244 HydrophobicContact CB-CD2 4.24Å; F241-Y244 HydrophobicContact CB-CE2 4.45Å; F241-Y244 HydrophobicContact CD1-CD2 4.19Å; F241-Y244 AromaticContact CD1-CE2 3.68Å; F241-Y244 HydrophobicContact CD1-CE2 3.68Å; F241-Y244 HydrophobicContact CE1-CE2 4.48Å; F241-Y244 HydrophobicContact CG-CE2 4.49Å; F241-Y244 WeakPolarHBondContact O-CD2 3.27Å; F241-Y244 PolarHBondContact O-N 3.13Å; Y244-I322 HydrophobicContact CE1-CB 4.35Å; Y244-I322 HydrophobicContact CE1-CG2 4.02Å; Y244-I322 WeakPolarHBondContact CE1-O 3.38Å; Y244-P325 HydrophobicContact CD1-CB 4.43Å; Y244-P325 HydrophobicContact CD1-CG 4.22Å; Y244-W327 HydrophobicContact CD1-CZ2 4.39Å; Y244-W327 HydrophobicContact CE1-CZ2 4Å | ||
| 245 | R | 48.6 | Very low | 59.9 | Low | 211 Ų | 211 | 99.4 Ų | 99.4 | 80% | 0.796 | 51% | 0.51 | S | S | * | . | trans | -85 | 149.8 | 172.9 | -69.8 | -171.1 | 177.7 | -172.3 | 1.4 | 110.1 | G243 P247 | G243-R245 PolarHBondContact O-N 2.95Å; R245-P247 VanDerWaalsContact O-CD 3.31Å; R245-P247 WeakPolarHBondContact O-CD 3.32Å | ||
| 246 | D | 52.3 | Low | 58.5 | Low | 102 Ų | 102 | 103.7 Ų | 103.7 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | trans | -48.2 | 113.4 | 171.5 | -176.6 | -5.3 | 0 | 0 | 0 | 109.9 | H248 | D246-H248 PolarHBondContact O-N 2.86Å; D246-H248 VanDerWaalsContact OD1-CB 3.3Å; D246-H248 WeakPolarHBondContact OD1-CB 3.45Å; D246-H248 IonicContact OD1-CD2 3.45Å; D246-H248 PolarHBondContact OD1-CD2 2.83Å; D246-H248 IonicContact OD1-CG 3.28Å; D246-H248 PolarHBondContact OD1-N 2.89Å | ||
| 247 | P | 50.5 | Low | 57.3 | Low | 21 Ų | 21 | 104.2 Ų | 104.2 | 14% | 0.136 | 55% | 0.549 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -6.7 | -178.2 | 25.5 | -32.1 | 0 | 0 | 0 | 112.6 | R245 R249 P284 | R245-P247 VanDerWaalsContact O-CD 3.31Å; R245-P247 WeakPolarHBondContact O-CD 3.32Å; P247-R249 PolarHBondContact O-N 3.43Å; P247-P284 HydrophobicContact CB-CB 3.8Å |
| 248 | H | 51.6 | Low | 56.8 | Low | 98 Ų | 98 | 106.6 Ų | 106.6 | 45% | 0.454 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.1 | 20.1 | -177.4 | -56.8 | -59.7 | 0 | 0 | 0 | 115.2 | D246 P250 | D246-H248 PolarHBondContact O-N 2.86Å; D246-H248 VanDerWaalsContact OD1-CB 3.3Å; D246-H248 WeakPolarHBondContact OD1-CB 3.45Å; D246-H248 IonicContact OD1-CD2 3.45Å; D246-H248 PolarHBondContact OD1-CD2 2.83Å; D246-H248 IonicContact OD1-CG 3.28Å; D246-H248 PolarHBondContact OD1-N 2.89Å; H248-P250 WeakPolarHBondContact O-CD 3.47Å |
| 249 | R | 44.8 | Very low | 56.6 | Low | 191 Ų | 191 | 106.3 Ų | 106.3 | 72% | 0.721 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -69.8 | 122.5 | 156.1 | -99.4 | -167.9 | -172.3 | -158 | 2.5 | 107.8 | P247 F251 | P247-R249 PolarHBondContact O-N 3.43Å; R249-F251 PolarHBondContact O-N 2.86Å |
| 250 | P | 42.4 | Very low | 56.8 | Low | 118 Ų | 118 | 103.1 Ų | 103.1 | 77% | 0.766 | 55% | 0.546 | S | S | * | . | trans | -63.2 | 106.4 | 178.4 | 24.7 | -30.8 | 0 | 0 | 0 | 108.6 | H248 T252 | H248-P250 WeakPolarHBondContact O-CD 3.47Å; P250-T252 PolarHBondContact O-N 2.8Å | ||
| 251 | F | 46.3 | Very low | 56.9 | Low | 176 Ų | 176 | 102.3 Ų | 102.3 | 77% | 0.772 | 55% | 0.545 | S | S | * | . | trans | -74.9 | 112.2 | 160.8 | -92.2 | -86.6 | 0 | 0 | 0 | 106.7 | R249 Q253 | R249-F251 PolarHBondContact O-N 2.86Å; F251-Q253 PolarHBondContact O-N 3.36Å | ||
| 252 | T | 41.7 | Very low | 57.4 | Low | 145 Ų | 145 | 102.2 Ų | 102.2 | 89% | 0.89 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 14.7 | -175.6 | -11.1 | 0 | 0 | 0 | 0 | 114.1 | P250 | P250-T252 PolarHBondContact O-N 2.8Š|
| 253 | Q | 46.1 | Very low | 58.1 | Low | 180 Ų | 180 | 100.4 Ų | 100.4 | 84% | 0.841 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.9 | 27.9 | -169 | -96.6 | 177.9 | -5.8 | 0 | 0 | 114.4 | F251 I255 | F251-Q253 PolarHBondContact O-N 3.36Å; Q253-I255 PolarHBondContact O-N 3.15Å |
| 254 | A | 49.4 | Very low | 59.3 | Low | 60 Ų | 60 | 99.9 Ų | 99.9 | 50% | 0.496 | 53% | 0.525 | S | S | . | . | trans | -73.5 | 100 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | V256 | A254-V256 PolarHBondContact O-N 3.08Š| ||
| 255 | I | 51.5 | Low | 60.3 | Low | 152 Ų | 152 | 98.9 Ų | 98.9 | 78% | 0.779 | 52% | 0.523 | S | S | * | . | trans | -50.8 | 124.6 | 162.3 | -63.4 | 170.2 | 0 | 0 | 0 | 105.7 | Q253 A257 | Q253-I255 PolarHBondContact O-N 3.15Å; I255-A257 VanDerWaalsContact C-N 3.34Å; I255-A257 PolarHBondContact O-N 2.81Å | ||
| 256 | V | 54.4 | Low | 62.1 | Low | 136 Ų | 136 | 90.4 Ų | 90.4 | 82% | 0.824 | 49% | 0.493 | S | S | * | . | trans | -59.2 | 101.8 | 176.1 | 177.4 | 0 | 0 | 0 | 0 | 106.6 | A254 D258 | A254-V256 PolarHBondContact O-N 3.08Å; V256-D258 PolarHBondContact O-N 3.11Å; V256-D258 VanDerWaalsContact O-N 3.17Å | ||
| 257 | A | 58.9 | Low | 63.4 | Low | 37 Ų | 37 | 92.9 Ų | 92.9 | 31% | 0.306 | 50% | 0.502 | S | S | . | . | trans | -66.4 | 115.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | I255 L259 A281 | I255-A257 VanDerWaalsContact C-N 3.34Å; I255-A257 PolarHBondContact O-N 2.81Å; A257-L259 PolarHBondContact O-N 3.48Å; A257-A281 HydrophobicContact CB-CB 3.55Å | ||
| 258 | D | 66.6 | Low | 64.8 | Low | 119 Ų | 119 | 96.6 Ų | 96.6 | 64% | 0.636 | 53% | 0.527 | S | S | * | . | trans | -76.5 | 109.4 | 176.6 | -171.6 | 8.1 | 0 | 0 | 0 | 109.5 | V256 S260 | V256-D258 PolarHBondContact O-N 3.11Å; V256-D258 VanDerWaalsContact O-N 3.17Å; D258-S260 VanDerWaalsContact OD1-CB 3.26Å; D258-S260 WeakPolarHBondContact OD1-CB 3.46Å; D258-S260 PolarHBondContact OD1-N 3.49Å; D258-S260 VanDerWaalsContact OD1-N 3.1Å; D258-S260 PolarHBondContact OD1-OG 3.04Å; D258-S260 PolarHBondContact OD2-OG 2.79Å | ||
| 259 | L | 77 | Confident | 66 | Low | 25 Ų | 25 | 94.5 Ų | 94.5 | 13% | 0.131 | 53% | 0.531 | C | S | . | . | trans | -99.6 | 10.7 | 179.9 | -60.7 | 175.9 | 0 | 0 | 0 | 112 | A257 N261 I262 A281 P288 Y292 | A257-L259 PolarHBondContact O-N 3.48Å; L259-N261 VanDerWaalsContact C-N 3.32Å; L259-N261 PolarHBondContact O-N 3.29Å; L259-I262 HydrophobicContact CB-CD1 3.99Å; L259-I262 HydrophobicContact CD2-CD1 3.31Å; L259-I262 HydrophobicContact CG-CD1 4.22Å; L259-A281 HydrophobicContact CD2-CB 3.68Å; L259-P288 HydrophobicContact CD1-CB 4.12Å; L259-Y292 HydrophobicContact CB-CE2 4.26Å; L259-Y292 WeakPolarHBondContact O-CE2 3.1Å; L259-Y292 PolarHBondContact O-OH 3.43Å; L259-Y292 VanDerWaalsContact O-OH 3.09Å | ||
| 260 | S | 76.6 | Confident | 67.9 | Low | 64 Ų | 64 | 89.1 Ų | 89.1 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -37.4 | -176.8 | 65.3 | 0 | 0 | 0 | 0 | 112.9 | D258 I262 | D258-S260 VanDerWaalsContact OD1-CB 3.26Å; D258-S260 WeakPolarHBondContact OD1-CB 3.46Å; D258-S260 PolarHBondContact OD1-N 3.49Å; D258-S260 VanDerWaalsContact OD1-N 3.1Å; D258-S260 PolarHBondContact OD1-OG 3.04Å; D258-S260 PolarHBondContact OD2-OG 2.79Å; S260-I262 VanDerWaalsContact C-N 3.33Å; S260-I262 PolarHBondContact O-N 2.72Å |
| 261 | N | 79.6 | Confident | 70 | Confident | 100 Ų | 100 | 84.1 Ų | 84.1 | 54% | 0.535 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -11.3 | -171.3 | -61.5 | -18.6 | 0 | 0 | 0 | 113.4 | L259 S263 S264 M265 | L259-N261 VanDerWaalsContact C-N 3.32Å; L259-N261 PolarHBondContact O-N 3.29Å; N261-S263 PolarHBondContact O-N 3.37Å; N261-S264 PolarHBondContact O-N 3.29Å; N261-S264 PolarHBondContact O-OG 3.21Å; N261-M265 VanDerWaalsContact O-CG 3.27Å; N261-M265 WeakPolarHBondContact O-CG 3.22Å; N261-M265 PolarHBondContact O-N 2.76Å |
| 262 | I | 85.1 | Confident | 72 | Confident | 3 Ų | 3 | 78.3 Ų | 78.3 | 2% | 0.015 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -66.3 | -37.9 | -175.8 | -70 | 166.2 | 0 | 0 | 0 | 111.7 | L259 S260 S264 M265 I266 A274 I278 Y292 | L259-I262 HydrophobicContact CB-CD1 3.99Å; L259-I262 HydrophobicContact CD2-CD1 3.31Å; L259-I262 HydrophobicContact CG-CD1 4.22Å; S260-I262 VanDerWaalsContact C-N 3.33Å; S260-I262 PolarHBondContact O-N 2.72Å; I262-S264 PolarHBondContact O-N 3.11Å; I262-M265 PolarHBondContact O-N 2.76Å; I262-I266 HydrophobicContact CG2-CD1 3.81Å; I262-I266 HydrophobicContact CG2-CG1 4.31Å; I262-I266 WeakPolarHBondContact O-CG1 3.32Å; I262-I266 PolarHBondContact O-N 3.03Å; I262-A274 HydrophobicContact CG2-CB 4.24Å; I262-I278 HydrophobicContact CD1-CG1 3.75Å; I262-I278 HydrophobicContact CG2-CD1 4.42Å; I262-Y292 HydrophobicContact CB-CD2 3.95Å; I262-Y292 HydrophobicContact CB-CE2 3.75Å; I262-Y292 HydrophobicContact CD1-CD2 4.3Å; I262-Y292 HydrophobicContact CD1-CE2 4.29Å; I262-Y292 HydrophobicContact CG2-CD1 4.26Å; I262-Y292 HydrophobicContact CG2-CD2 3.52Å; I262-Y292 HydrophobicContact CG2-CE2 3.85Å; I262-Y292 HydrophobicContact CG2-CG 3.74Å |
| 263 | S | 79.2 | Confident | 74 | Confident | 45 Ų | 45 | 75.8 Ų | 75.8 | 32% | 0.315 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 177.1 | -160.6 | 0 | 0 | 0 | 0 | 110.9 | N261 M265 I266 E267 | N261-S263 PolarHBondContact O-N 3.37Å; S263-M265 VanDerWaalsContact C-N 3.31Å; S263-M265 PolarHBondContact O-N 3Å; S263-I266 PolarHBondContact O-N 3.28Å; S263-E267 WeakPolarHBondContact O-CG 3.26Å; S263-E267 PolarHBondContact O-N 3.5Å; S263-E267 PolarHBondContact OG-OE1 2.92Å |
| 264 | S | 81.1 | Confident | 76 | Confident | 56 Ų | 56 | 67.2 Ų | 67.2 | 39% | 0.392 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.2 | -35.6 | 177.2 | 45 | 0 | 0 | 0 | 0 | 112.8 | N261 I262 E267 C268 | N261-S264 PolarHBondContact O-N 3.29Å; N261-S264 PolarHBondContact O-OG 3.21Å; I262-S264 PolarHBondContact O-N 3.11Å; S264-E267 PolarHBondContact O-N 3.35Å; S264-C268 VanDerWaalsContact O-CB 3.3Å; S264-C268 WeakPolarHBondContact O-CB 3.27Å; S264-C268 PolarHBondContact O-N 3.04Å; S264-C268 PolarHBondContact O-SG 3.15Å |
| 265 | M | 82.7 | Confident | 78 | Confident | 37 Ų | 37 | 64.4 Ų | 64.4 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 177 | -68.5 | 169.6 | 77.1 | 0 | 0 | 111.8 | N261 I262 S263 C268 G269 L270 E273 A274 | N261-M265 VanDerWaalsContact O-CG 3.27Å; N261-M265 WeakPolarHBondContact O-CG 3.22Å; N261-M265 PolarHBondContact O-N 2.76Å; I262-M265 PolarHBondContact O-N 2.76Å; S263-M265 VanDerWaalsContact C-N 3.31Å; S263-M265 PolarHBondContact O-N 3Å; M265-C268 PolarHBondContact O-N 3.37Å; M265-G269 PolarHBondContact O-N 3.06Å; M265-L270 HydrophobicContact CB-CB 4.22Å; M265-L270 WeakPolarHBondContact O-CA 3.38Å; M265-L270 WeakPolarHBondContact O-CB 3.47Å; M265-L270 PolarHBondContact O-N 2.91Å; M265-E273 HydrophobicContact CE-CB 3.27Å; M265-A274 HydrophobicContact CB-CB 4.05Å |
| 266 | I | 85.8 | Confident | 79.7 | Confident | 33 Ų | 33 | 60.1 Ų | 60.1 | 17% | 0.169 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.1 | -45 | 176.2 | -65.6 | 170.5 | 0 | 0 | 0 | 110.3 | I262 S263 C268 G269 A274 Y292 | I262-I266 HydrophobicContact CG2-CD1 3.81Å; I262-I266 HydrophobicContact CG2-CG1 4.31Å; I262-I266 WeakPolarHBondContact O-CG1 3.32Å; I262-I266 PolarHBondContact O-N 3.03Å; S263-I266 PolarHBondContact O-N 3.28Å; I266-C268 VanDerWaalsContact C-N 3.28Å; I266-C268 PolarHBondContact O-N 3.16Å; I266-G269 PolarHBondContact O-N 3.27Å; I266-A274 HydrophobicContact CG1-CB 3.83Å; I266-Y292 HydrophobicContact CD1-CD1 4.44Å; I266-Y292 HydrophobicContact CD1-CG 4.49Å |
| 267 | E | 81.2 | Confident | 81.2 | Confident | 155 Ų | 155 | 55.7 Ų | 55.7 | 72% | 0.724 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.6 | -34.7 | 176.9 | -72.8 | 167.3 | -151.6 | 0 | 0 | 112.6 | S263 S264 G269 | S263-E267 WeakPolarHBondContact O-CG 3.26Å; S263-E267 PolarHBondContact O-N 3.5Å; S263-E267 PolarHBondContact OG-OE1 2.92Å; S264-E267 PolarHBondContact O-N 3.35Å; E267-G269 VanDerWaalsContact C-N 3.29Å; E267-G269 PolarHBondContact O-N 2.77Å |
| 268 | C | 78.1 | Confident | 82.6 | Confident | 99 Ų | 99 | 54 Ų | 54 | 67% | 0.669 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 2.9 | 175.2 | -70.7 | 0 | 0 | 0 | 0 | 114.5 | S264 M265 I266 L270 | S264-C268 VanDerWaalsContact O-CB 3.3Å; S264-C268 WeakPolarHBondContact O-CB 3.27Å; S264-C268 PolarHBondContact O-N 3.04Å; S264-C268 PolarHBondContact O-SG 3.15Å; M265-C268 PolarHBondContact O-N 3.37Å; I266-C268 VanDerWaalsContact C-N 3.28Å; I266-C268 PolarHBondContact O-N 3.16Å; C268-L270 VanDerWaalsContact C-N 3.3Å; C268-L270 HydrophobicContact CB-CG 4.46Å; C268-L270 PolarHBondContact O-N 3.43Å |
| 269 | G | 78.4 | Confident | 83.6 | Confident | 53 Ų | 53 | 53.7 Ų | 53.7 | 55% | 0.546 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 10.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | M265 I266 E267 V271 | M265-G269 PolarHBondContact O-N 3.06Å; I266-G269 PolarHBondContact O-N 3.27Å; E267-G269 VanDerWaalsContact C-N 3.29Å; E267-G269 PolarHBondContact O-N 2.77Å; G269-V271 PolarHBondContact O-N 3.43Å |
| 270 | L | 83.6 | Confident | 83.9 | Confident | 79 Ų | 79 | 56.6 Ų | 56.6 | 41% | 0.414 | 33% | 0.331 | S | S | . | . | trans | -84.2 | 56 | 176 | -60.8 | 175.5 | 0 | 0 | 0 | 110.8 | M265 C268 S272 E273 A274 | M265-L270 HydrophobicContact CB-CB 4.22Å; M265-L270 WeakPolarHBondContact O-CA 3.38Å; M265-L270 WeakPolarHBondContact O-CB 3.47Å; M265-L270 PolarHBondContact O-N 2.91Å; C268-L270 VanDerWaalsContact C-N 3.3Å; C268-L270 HydrophobicContact CB-CG 4.46Å; C268-L270 PolarHBondContact O-N 3.43Å; L270-S272 VanDerWaalsContact C-N 3.33Å; L270-S272 PolarHBondContact O-N 3.07Å; L270-E273 VanDerWaalsContact C-OE2 3.29Å; L270-E273 WeakPolarHBondContact CA-OE2 3.32Å; L270-E273 HydrophobicContact CB-CB 4.41Å; L270-E273 PolarHBondContact O-N 3.47Å; L270-A274 WeakPolarHBondContact O-CB 3.29Å; L270-A274 PolarHBondContact O-N 3.25Å | ||
| 271 | V | 87.6 | Confident | 84 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70 | -30.8 | -168.3 | -159.4 | 0 | 0 | 0 | 0 | 112 | G269 L275 L296 Y299 F309 | G269-V271 PolarHBondContact O-N 3.43Å; V271-L275 WeakPolarHBondContact O-CB 3.34Å; V271-L275 PolarHBondContact O-N 3.23Å; V271-L275 VanDerWaalsContact O-N 3.1Å; V271-L296 HydrophobicContact CG1-CD2 3.22Å; V271-Y299 HydrophobicContact CB-CD1 4.3Å; V271-Y299 HydrophobicContact CB-CE1 4.27Å; V271-Y299 HydrophobicContact CG1-CD1 3.75Å; V271-Y299 HydrophobicContact CG1-CE1 4.19Å; V271-Y299 HydrophobicContact CG1-CG 4.03Å; V271-Y299 HydrophobicContact CG2-CD1 4.48Å; V271-Y299 HydrophobicContact CG2-CD2 4.28Å; V271-Y299 HydrophobicContact CG2-CE1 4.46Å; V271-Y299 HydrophobicContact CG2-CE2 4.28Å; V271-Y299 HydrophobicContact CG2-CG 4.38Å; V271-F309 HydrophobicContact CB-CE2 4.31Å; V271-F309 HydrophobicContact CG1-CE2 3.72Å; V271-F309 HydrophobicContact CG1-CZ 3.91Å |
| 272 | S | 86.8 | Confident | 84 | Confident | 54 Ų | 54 | 50 Ų | 50 | 38% | 0.378 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73.6 | -43 | 178.8 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | L270 A274 L275 D276 | L270-S272 VanDerWaalsContact C-N 3.33Å; L270-S272 PolarHBondContact O-N 3.07Å; S272-A274 VanDerWaalsContact C-N 3.33Å; S272-L275 WeakPolarHBondContact O-CB 3.46Å; S272-L275 PolarHBondContact O-N 3.15Å; S272-D276 PolarHBondContact O-N 2.98Å |
| 273 | E | 85.6 | Confident | 83.7 | Confident | 91 Ų | 91 | 54.5 Ų | 54.5 | 43% | 0.425 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.5 | -36.2 | 177.7 | -61.6 | 82 | 173.4 | 0 | 0 | 110.9 | M265 L270 D276 S277 | M265-E273 HydrophobicContact CE-CB 3.27Å; L270-E273 VanDerWaalsContact C-OE2 3.29Å; L270-E273 WeakPolarHBondContact CA-OE2 3.32Å; L270-E273 HydrophobicContact CB-CB 4.41Å; L270-E273 PolarHBondContact O-N 3.47Å; E273-D276 PolarHBondContact O-N 2.78Å; E273-S277 WeakPolarHBondContact O-CB 3.48Å; E273-S277 PolarHBondContact O-N 3.03Å; E273-S277 PolarHBondContact O-OG 2.79Å |
| 274 | A | 86.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -45.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I262 M265 I266 L270 S272 S277 I278 | I262-A274 HydrophobicContact CG2-CB 4.24Å; M265-A274 HydrophobicContact CB-CB 4.05Å; I266-A274 HydrophobicContact CG1-CB 3.83Å; L270-A274 WeakPolarHBondContact O-CB 3.29Å; L270-A274 PolarHBondContact O-N 3.25Å; S272-A274 VanDerWaalsContact C-N 3.33Å; A274-S277 WeakPolarHBondContact O-CB 2.97Å; A274-S277 PolarHBondContact O-N 2.91Å; A274-I278 WeakPolarHBondContact O-CG1 3.32Å; A274-I278 PolarHBondContact O-N 3.04Å |
| 275 | L | 90.8 | Very high | 83.3 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 176.6 | 178.6 | 64 | 0 | 0 | 0 | 112.3 | V271 S272 S277 I278 R279 L296 F309 N312 F313 V316 | V271-L275 WeakPolarHBondContact O-CB 3.34Å; V271-L275 PolarHBondContact O-N 3.23Å; V271-L275 VanDerWaalsContact O-N 3.1Å; S272-L275 WeakPolarHBondContact O-CB 3.46Å; S272-L275 PolarHBondContact O-N 3.15Å; L275-S277 VanDerWaalsContact C-N 3.33Å; L275-I278 PolarHBondContact O-N 3.08Å; L275-R279 WeakPolarHBondContact O-CB 3.42Å; L275-R279 PolarHBondContact O-N 2.94Å; L275-L296 HydrophobicContact CD1-CD1 4.03Å; L275-F309 HydrophobicContact CB-CE2 4.18Å; L275-F309 HydrophobicContact CD2-CD2 3.85Å; L275-F309 HydrophobicContact CD2-CE2 3.72Å; L275-F309 HydrophobicContact CD2-CZ 4.37Å; L275-N312 HydrophobicContact CD2-CB 3.8Å; L275-F313 HydrophobicContact CD1-CB 4.45Å; L275-F313 HydrophobicContact CD1-CD2 4.09Å; L275-F313 HydrophobicContact CD2-CB 3.98Å; L275-V316 HydrophobicContact CD1-CB 3.94Å; L275-V316 HydrophobicContact CD1-CG1 4.1Å; L275-V316 HydrophobicContact CD1-CG2 3.75Å; L275-V316 HydrophobicContact CG-CG2 4.3Å |
| 276 | D | 87.1 | Confident | 83.2 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 33% | 0.332 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 175.6 | -81.2 | -23.6 | 0 | 0 | 0 | 112.9 | S272 E273 R279 S280 | S272-D276 PolarHBondContact O-N 2.98Å; E273-D276 PolarHBondContact O-N 2.78Å; D276-R279 WeakPolarHBondContact O-CB 3.43Å; D276-R279 PolarHBondContact O-N 3.24Å; D276-R279 IonicContact OD1-CZ 2.75Å; D276-R279 IonicContact OD1-NE 3.77Å; D276-R279 PolarHBondContact OD1-NE 2.95Å; D276-R279 IonicContact OD1-NH2 3.7Å; D276-R279 PolarHBondContact OD1-NH2 3.46Å; D276-R279 IonicContact OD2-NH2 2.78Å; D276-S280 PolarHBondContact O-N 2.78Å; D276-S280 VanDerWaalsContact O-N 3.07Å; D276-S280 PolarHBondContact O-OG 3.09Å |
| 277 | S | 85.9 | Confident | 83.2 | Confident | 43 Ų | 43 | 56.6 Ų | 56.6 | 30% | 0.301 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 173.9 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | E273 A274 L275 S280 A281 | E273-S277 WeakPolarHBondContact O-CB 3.48Å; E273-S277 PolarHBondContact O-N 3.03Å; E273-S277 PolarHBondContact O-OG 2.79Å; A274-S277 WeakPolarHBondContact O-CB 2.97Å; A274-S277 PolarHBondContact O-N 2.91Å; L275-S277 VanDerWaalsContact C-N 3.33Å; S277-S280 PolarHBondContact O-OG 2.99Å; S277-A281 PolarHBondContact O-N 3.37Å |
| 278 | I | 88.6 | Confident | 83.6 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 172 | -66 | 170.9 | 0 | 0 | 0 | 109.8 | I262 A274 L275 S280 A281 V282 P288 L293 L296 V316 | I262-I278 HydrophobicContact CD1-CG1 3.75Å; I262-I278 HydrophobicContact CG2-CD1 4.42Å; A274-I278 WeakPolarHBondContact O-CG1 3.32Å; A274-I278 PolarHBondContact O-N 3.04Å; L275-I278 PolarHBondContact O-N 3.08Å; I278-S280 VanDerWaalsContact C-N 3.26Å; I278-S280 PolarHBondContact O-N 3.14Å; I278-A281 CarbonylContact O-C 3.57Å; I278-A281 WeakPolarHBondContact O-CA 3.18Å; I278-A281 WeakPolarHBondContact O-CB 3.41Å; I278-A281 PolarHBondContact O-N 3.46Å; I278-V282 HydrophobicContact CG2-CG2 4.18Å; I278-V282 WeakPolarHBondContact O-CG2 3.24Å; I278-V282 PolarHBondContact O-N 3.4Å; I278-V282 VanDerWaalsContact O-N 3.15Å; I278-P288 HydrophobicContact CG2-CB 4.27Å; I278-P288 HydrophobicContact CG2-CG 4.08Å; I278-L293 HydrophobicContact CD1-CD2 4.12Å; I278-L293 HydrophobicContact CG2-CD2 4.43Å; I278-L296 HydrophobicContact CD1-CD1 3.74Å; I278-V316 HydrophobicContact CG2-CG1 3.84Å |
| 279 | R | 87.6 | Confident | 84.1 | Confident | 113 Ų | 113 | 47.1 Ų | 47.1 | 43% | 0.426 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -54.2 | -41.9 | -178.8 | -176.7 | 171.8 | 59.9 | 158.4 | -1.3 | 112.4 | L275 D276 A281 V316 | L275-R279 WeakPolarHBondContact O-CB 3.42Å; L275-R279 PolarHBondContact O-N 2.94Å; D276-R279 WeakPolarHBondContact O-CB 3.43Å; D276-R279 PolarHBondContact O-N 3.24Å; D276-R279 IonicContact OD1-CZ 2.75Å; D276-R279 IonicContact OD1-NE 3.77Å; D276-R279 PolarHBondContact OD1-NE 2.95Å; D276-R279 IonicContact OD1-NH2 3.7Å; D276-R279 PolarHBondContact OD1-NH2 3.46Å; D276-R279 IonicContact OD2-NH2 2.78Å; R279-A281 VanDerWaalsContact C-N 3.25Å; R279-A281 PolarHBondContact O-N 2.89Å; R279-V316 HydrophobicContact CB-CG2 3.6Å; R279-V316 HydrophobicContact CG-CG2 3.88Å |
| 280 | S | 83.3 | Confident | 84.7 | Confident | 85 Ų | 85 | 45 Ų | 45 | 59% | 0.594 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -73.8 | -15 | 178.3 | 64.7 | 0 | 0 | 0 | 0 | 113.8 | D276 S277 I278 F283 | D276-S280 PolarHBondContact O-N 2.78Å; D276-S280 VanDerWaalsContact O-N 3.07Å; D276-S280 PolarHBondContact O-OG 3.09Å; S277-S280 PolarHBondContact O-OG 2.99Å; I278-S280 VanDerWaalsContact C-N 3.26Å; I278-S280 PolarHBondContact O-N 3.14Å; S280-F283 WeakPolarHBondContact O-CE2 3.31Å |
| 281 | A | 79.3 | Confident | 85.1 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -102.3 | -5.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A257 L259 S277 I278 R279 F283 | A257-A281 HydrophobicContact CB-CB 3.55Å; L259-A281 HydrophobicContact CD2-CB 3.68Å; S277-A281 PolarHBondContact O-N 3.37Å; I278-A281 CarbonylContact O-C 3.57Å; I278-A281 WeakPolarHBondContact O-CA 3.18Å; I278-A281 WeakPolarHBondContact O-CB 3.41Å; I278-A281 PolarHBondContact O-N 3.46Å; R279-A281 VanDerWaalsContact C-N 3.25Å; R279-A281 PolarHBondContact O-N 2.89Å; A281-F283 WeakPolarHBondContact O-CD2 3.4Å; A281-F283 PolarHBondContact O-N 3.28Å |
| 282 | V | 80 | Confident | 85.3 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 11% | 0.109 | 27% | 0.267 | C | S | . | . | trans | -73.9 | 96.5 | 179.2 | -180 | 0 | 0 | 0 | 0 | 110.3 | I278 V316 N319 L320 T323 | I278-V282 HydrophobicContact CG2-CG2 4.18Å; I278-V282 WeakPolarHBondContact O-CG2 3.24Å; I278-V282 PolarHBondContact O-N 3.4Å; I278-V282 VanDerWaalsContact O-N 3.15Å; V282-V316 HydrophobicContact CG2-CG1 4.36Å; V282-N319 HydrophobicContact CG1-CB 4.39Å; V282-L320 HydrophobicContact CG1-CB 4.19Å; V282-L320 HydrophobicContact CG1-CD1 4.04Å; V282-L320 HydrophobicContact CG2-CD1 4.46Å; V282-T323 HydrophobicContact CG1-CG2 4.33Å; V282-T323 VanDerWaalsContact CG1-OG1 3.22Å; V282-T323 WeakPolarHBondContact CG1-OG1 3.39Å | ||
| 283 | F | 77.8 | Confident | 85.5 | Confident | 99 Ų | 99 | 43.3 Ų | 43.3 | 43% | 0.434 | 25% | 0.249 | S | C | . | . | trans | -123.7 | 157.8 | 174.4 | -65.6 | -77.3 | 0 | 0 | 0 | 111.5 | S280 A281 G285 V286 N324 | S280-F283 WeakPolarHBondContact O-CE2 3.31Å; A281-F283 WeakPolarHBondContact O-CD2 3.4Å; A281-F283 PolarHBondContact O-N 3.28Å; F283-G285 PolarHBondContact O-N 2.98Å; F283-V286 HydrophobicContact CB-CG2 4.38Å; F283-V286 PolarHBondContact O-N 3.44Å; F283-N324 PolarHBondContact O-ND2 3.38Å | ||
| 284 | P | 76.8 | Confident | 85.8 | Confident | 63 Ų | 63 | 39.8 Ų | 39.8 | 41% | 0.409 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 123.8 | 174.1 | -25.9 | 35 | 0 | 0 | 0 | 112.5 | P247 V286 T323 | P247-P284 HydrophobicContact CB-CB 3.8Å; P284-V286 VanDerWaalsContact C-N 3.35Å; P284-T323 WeakPolarHBondContact CA-O 3.21Å; P284-T323 HydrophobicContact CG-CG2 4.42Å |
| 285 | G | 74.7 | Confident | 86 | Confident | 47 Ų | 47 | 41.8 Ų | 41.8 | 49% | 0.485 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -8.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | F283 N324 | F283-G285 PolarHBondContact O-N 2.98Å; G285-N324 VanDerWaalsContact CA-OD1 3.26Å; G285-N324 WeakPolarHBondContact CA-OD1 3.44Å; G285-N324 PolarHBondContact N-OD1 2.93Å |
| 286 | V | 80.6 | Confident | 86.1 | Confident | 51 Ų | 51 | 41.7 Ų | 41.7 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | trans | -104.8 | 117.3 | 178 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | F283 P284 N324 | F283-V286 HydrophobicContact CB-CG2 4.38Å; F283-V286 PolarHBondContact O-N 3.44Å; P284-V286 VanDerWaalsContact C-N 3.35Å; V286-N324 PolarHBondContact O-ND2 3.08Å | ||
| 287 | L | 86.1 | Confident | 86.3 | Confident | 53 Ų | 53 | 38.7 Ų | 38.7 | 28% | 0.277 | 23% | 0.23 | S | C | . | . | trans | -108.9 | 126.9 | 176.4 | -66.6 | 173.8 | 0 | 0 | 0 | 109.4 | L320 N324 V333 Y336 | L287-L320 HydrophobicContact CD2-CD1 4Å; L287-N324 HydrophobicContact CD2-CB 3.67Å; L287-V333 HydrophobicContact CD1-CG2 4.12Å; L287-Y336 HydrophobicContact CB-CD2 4.39Å; L287-Y336 HydrophobicContact CB-CE2 4.19Å; L287-Y336 HydrophobicContact CD1-CD1 4.09Å; L287-Y336 HydrophobicContact CD1-CD2 4.16Å; L287-Y336 HydrophobicContact CD1-CG 3.82Å; L287-Y336 HydrophobicContact CD2-CD1 3.96Å; L287-Y336 HydrophobicContact CD2-CE1 3.91Å; L287-Y336 HydrophobicContact CD2-CG 4.49Å | ||
| 288 | P | 89.7 | Confident | 86.4 | Confident | 6 Ų | 6 | 40 Ų | 40 | 4% | 0.039 | 23% | 0.231 | C | C | . | . | trans | -65.3 | 156.5 | 171.6 | 28.1 | -31.7 | 0 | 0 | 0 | 110.1 | L259 I278 A290 L293 L320 Y336 | L259-P288 HydrophobicContact CD1-CB 4.12Å; I278-P288 HydrophobicContact CG2-CB 4.27Å; I278-P288 HydrophobicContact CG2-CG 4.08Å; P288-A290 PolarHBondContact O-N 2.71Å; P288-L293 HydrophobicContact CG-CD1 4.22Å; P288-L293 HydrophobicContact CG-CG 4.4Å; P288-L320 HydrophobicContact CG-CD2 4.49Å; P288-Y336 WeakPolarHBondContact CG-OH 3.45Å; P288-Y336 WeakPolarHBondContact O-CE2 3.49Å; P288-Y336 PolarHBondContact O-OH 3.36Å | ||
| 289 | P | 90.1 | Very high | 86.5 | Confident | 50 Ų | 50 | 42.9 Ų | 42.9 | 33% | 0.325 | 24% | 0.242 | S | C | . | . | trans | -53.5 | 129.8 | 173.1 | -29.9 | 37.3 | 0 | 0 | 0 | 112.1 | T291 Y292 | P289-T291 PolarHBondContact O-N 2.99Å; P289-T291 VanDerWaalsContact O-N 3.17Å; P289-Y292 HydrophobicContact CB-CD1 4.27Å; P289-Y292 HydrophobicContact CB-CD2 3.83Å; P289-Y292 HydrophobicContact CB-CE1 4.21Å; P289-Y292 HydrophobicContact CB-CE2 3.8Å; P289-Y292 HydrophobicContact CB-CG 4.08Å; P289-Y292 HydrophobicContact CG-CD2 3.82Å; P289-Y292 HydrophobicContact CG-CE2 3.4Å; P289-Y292 VanDerWaalsContact CG-CE2 3.4Å; P289-Y292 WeakPolarHBondContact O-CB 3.4Å; P289-Y292 PolarHBondContact O-N 3.07Å | ||
| 290 | A | 90.9 | Very high | 86.6 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 7% | 0.074 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59 | -32.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P288 Y292 L293 I294 Y336 Q339 V340 | P288-A290 PolarHBondContact O-N 2.71Å; A290-Y292 VanDerWaalsContact C-N 3.25Å; A290-Y292 PolarHBondContact O-N 2.71Å; A290-L293 PolarHBondContact O-N 3.14Å; A290-I294 WeakPolarHBondContact O-CD1 3.21Å; A290-I294 VanDerWaalsContact O-CG1 3.23Å; A290-I294 WeakPolarHBondContact O-CG1 3.47Å; A290-I294 PolarHBondContact O-N 2.79Å; A290-Y336 HydrophobicContact CB-CD2 4.11Å; A290-Y336 HydrophobicContact CB-CE2 3.78Å; A290-Q339 HydrophobicContact CB-CG 3.99Å; A290-V340 HydrophobicContact CB-CG2 3.65Å |
| 291 | T | 90.4 | Very high | 86.8 | Confident | 80 Ų | 80 | 34 Ų | 34 | 49% | 0.491 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -56.6 | -38.4 | 176.6 | 45.9 | 0 | 0 | 0 | 0 | 112.3 | P289 I294 S295 | P289-T291 PolarHBondContact O-N 2.99Å; P289-T291 VanDerWaalsContact O-N 3.17Å; T291-I294 PolarHBondContact O-N 3.45Å; T291-S295 PolarHBondContact O-N 2.79Å; T291-S295 PolarHBondContact O-OG 2.8Å |
| 292 | Y | 91.6 | Very high | 87 | Confident | 30 Ų | 30 | 38.7 Ų | 38.7 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.4 | -48.4 | -179.7 | -56.5 | -17.2 | 0 | 0 | 0 | 110.8 | L259 I262 I266 P289 A290 I294 S295 L296 | L259-Y292 HydrophobicContact CB-CE2 4.26Å; L259-Y292 WeakPolarHBondContact O-CE2 3.1Å; L259-Y292 PolarHBondContact O-OH 3.43Å; L259-Y292 VanDerWaalsContact O-OH 3.09Å; I262-Y292 HydrophobicContact CB-CD2 3.95Å; I262-Y292 HydrophobicContact CB-CE2 3.75Å; I262-Y292 HydrophobicContact CD1-CD2 4.3Å; I262-Y292 HydrophobicContact CD1-CE2 4.29Å; I262-Y292 HydrophobicContact CG2-CD1 4.26Å; I262-Y292 HydrophobicContact CG2-CD2 3.52Å; I262-Y292 HydrophobicContact CG2-CE2 3.85Å; I262-Y292 HydrophobicContact CG2-CG 3.74Å; I266-Y292 HydrophobicContact CD1-CD1 4.44Å; I266-Y292 HydrophobicContact CD1-CG 4.49Å; P289-Y292 HydrophobicContact CB-CD1 4.27Å; P289-Y292 HydrophobicContact CB-CD2 3.83Å; P289-Y292 HydrophobicContact CB-CE1 4.21Å; P289-Y292 HydrophobicContact CB-CE2 3.8Å; P289-Y292 HydrophobicContact CB-CG 4.08Å; P289-Y292 HydrophobicContact CG-CD2 3.82Å; P289-Y292 HydrophobicContact CG-CE2 3.4Å; P289-Y292 VanDerWaalsContact CG-CE2 3.4Å; P289-Y292 WeakPolarHBondContact O-CB 3.4Å; P289-Y292 PolarHBondContact O-N 3.07Å; A290-Y292 VanDerWaalsContact C-N 3.25Å; A290-Y292 PolarHBondContact O-N 2.71Å; Y292-I294 VanDerWaalsContact C-N 3.33Å; Y292-I294 PolarHBondContact O-N 3.17Å; Y292-S295 PolarHBondContact O-N 3Å; Y292-L296 VanDerWaalsContact O-CG 3.31Å; Y292-L296 WeakPolarHBondContact O-CG 3.45Å; Y292-L296 PolarHBondContact O-N 2.86Å |
| 293 | L | 92.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65 | -37.1 | 178 | -63.2 | -175.7 | 0 | 0 | 0 | 112.2 | I278 P288 A290 L296 I297 M317 L320 Y336 V340 | I278-L293 HydrophobicContact CD1-CD2 4.12Å; I278-L293 HydrophobicContact CG2-CD2 4.43Å; P288-L293 HydrophobicContact CG-CD1 4.22Å; P288-L293 HydrophobicContact CG-CG 4.4Å; A290-L293 PolarHBondContact O-N 3.14Å; L293-L296 HydrophobicContact CD2-CD1 4.26Å; L293-L296 PolarHBondContact O-N 2.66Å; L293-I297 VanDerWaalsContact O-CG1 3.3Å; L293-I297 WeakPolarHBondContact O-CG1 3.48Å; L293-I297 PolarHBondContact O-N 2.94Å; L293-M317 HydrophobicContact CD1-SD 3.96Å; L293-M317 HydrophobicContact CD2-SD 4.27Å; L293-L320 HydrophobicContact CD1-CD2 3.57Å; L293-Y336 WeakPolarHBondContact CD1-OH 3.26Å; L293-V340 HydrophobicContact CB-CG1 3.77Å; L293-V340 HydrophobicContact CB-CG2 4.4Å; L293-V340 HydrophobicContact CD1-CG1 3.88Å; L293-V340 HydrophobicContact CD1-CG2 4.17Å |
| 294 | I | 91.8 | Very high | 87.2 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 8% | 0.082 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.5 | -46.4 | 175.2 | -67.4 | 163.8 | 0 | 0 | 0 | 110.3 | A290 T291 Y292 L296 I297 E298 Q339 P344 | A290-I294 WeakPolarHBondContact O-CD1 3.21Å; A290-I294 VanDerWaalsContact O-CG1 3.23Å; A290-I294 WeakPolarHBondContact O-CG1 3.47Å; A290-I294 PolarHBondContact O-N 2.79Å; T291-I294 PolarHBondContact O-N 3.45Å; Y292-I294 VanDerWaalsContact C-N 3.33Å; Y292-I294 PolarHBondContact O-N 3.17Å; I294-L296 VanDerWaalsContact C-N 3.31Å; I294-L296 PolarHBondContact O-N 3.14Å; I294-I297 PolarHBondContact O-N 3.27Å; I294-E298 WeakPolarHBondContact O-CG 3.44Å; I294-E298 PolarHBondContact O-N 2.92Å; I294-Q339 HydrophobicContact CD1-CG 4.32Å; I294-Q339 WeakPolarHBondContact CD1-O 3.19Å; I294-P344 HydrophobicContact CG2-CB 3.98Å; I294-P344 HydrophobicContact CG2-CG 4.49Å |
| 295 | S | 90.7 | Very high | 87.7 | Confident | 42 Ų | 42 | 37.6 Ų | 37.6 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.1 | -35.3 | 176.8 | -61.9 | 0 | 0 | 0 | 0 | 113 | T291 Y292 E298 Y299 | T291-S295 PolarHBondContact O-N 2.79Å; T291-S295 PolarHBondContact O-OG 2.8Å; Y292-S295 PolarHBondContact O-N 3Å; S295-E298 PolarHBondContact O-N 2.95Å; S295-Y299 PolarHBondContact O-N 3.35Å |
| 296 | L | 91.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.6 | -37.7 | 174.6 | -63.8 | 177.8 | 0 | 0 | 0 | 112.4 | V271 L275 I278 Y292 L293 I294 Y299 A300 F309 F313 | V271-L296 HydrophobicContact CG1-CD2 3.22Å; L275-L296 HydrophobicContact CD1-CD1 4.03Å; I278-L296 HydrophobicContact CD1-CD1 3.74Å; Y292-L296 VanDerWaalsContact O-CG 3.31Å; Y292-L296 WeakPolarHBondContact O-CG 3.45Å; Y292-L296 PolarHBondContact O-N 2.86Å; L293-L296 HydrophobicContact CD2-CD1 4.26Å; L293-L296 PolarHBondContact O-N 2.66Å; I294-L296 VanDerWaalsContact C-N 3.31Å; I294-L296 PolarHBondContact O-N 3.14Å; L296-Y299 PolarHBondContact O-N 2.9Å; L296-A300 PolarHBondContact O-N 3.35Å; L296-F309 HydrophobicContact CB-CZ 4.41Å; L296-F309 HydrophobicContact CD2-CE2 4.27Å; L296-F309 HydrophobicContact CD2-CZ 4.04Å; L296-F313 HydrophobicContact CB-CD2 4Å; L296-F313 HydrophobicContact CB-CE2 3.7Å; L296-F313 HydrophobicContact CD1-CD2 4.33Å; L296-F313 HydrophobicContact CD1-CE2 4.32Å |
| 297 | I | 91.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.4 | -43.6 | 172.4 | -65.5 | 165.5 | 0 | 0 | 0 | 109.9 | L293 I294 Y299 A300 Q301 F313 V340 P344 | L293-I297 VanDerWaalsContact O-CG1 3.3Å; L293-I297 WeakPolarHBondContact O-CG1 3.48Å; L293-I297 PolarHBondContact O-N 2.94Å; I294-I297 PolarHBondContact O-N 3.27Å; I297-Y299 VanDerWaalsContact C-N 3.32Å; I297-Y299 PolarHBondContact O-N 3.09Å; I297-A300 PolarHBondContact O-N 3.43Å; I297-Q301 HydrophobicContact CG2-CG 4.31Å; I297-Q301 WeakPolarHBondContact O-CB 3.23Å; I297-Q301 VanDerWaalsContact O-CG 3.29Å; I297-Q301 WeakPolarHBondContact O-CG 3.43Å; I297-Q301 PolarHBondContact O-N 3.3Å; I297-F313 HydrophobicContact CD1-CZ 4.32Å; I297-F313 HydrophobicContact CG1-CE1 4.2Å; I297-F313 HydrophobicContact CG1-CE2 4.32Å; I297-F313 HydrophobicContact CG1-CZ 3.52Å; I297-V340 HydrophobicContact CD1-CG1 4.26Å; I297-P344 HydrophobicContact CB-CG 4.25Å; I297-P344 HydrophobicContact CG2-CG 3.7Å |
| 298 | E | 89.4 | Confident | 88.9 | Confident | 69 Ų | 69 | 43.9 Ų | 43.9 | 32% | 0.322 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 175.6 | -75.1 | 176.9 | 172.4 | 0 | 0 | 111.9 | I294 S295 Q301 Q302 P344 | I294-E298 WeakPolarHBondContact O-CG 3.44Å; I294-E298 PolarHBondContact O-N 2.92Å; S295-E298 PolarHBondContact O-N 2.95Å; E298-Q301 PolarHBondContact O-N 2.85Å; E298-Q302 WeakPolarHBondContact O-CG 3.14Å; E298-Q302 PolarHBondContact O-N 3.48Å; E298-P344 HydrophobicContact CG-CB 3.2Å; E298-P344 HydrophobicContact CG-CG 3.82Å; E298-P344 VanDerWaalsContact OE1-CB 3.23Å; E298-P344 WeakPolarHBondContact OE1-CB 3.26Å |
| 299 | Y | 89.6 | Confident | 89 | Confident | 62 Ų | 62 | 43.7 Ų | 43.7 | 24% | 0.243 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 175.8 | 177 | -106.1 | 0 | 0 | 0 | 112 | V271 S295 L296 I297 Q301 Q302 A305 F309 | V271-Y299 HydrophobicContact CB-CD1 4.3Å; V271-Y299 HydrophobicContact CB-CE1 4.27Å; V271-Y299 HydrophobicContact CG1-CD1 3.75Å; V271-Y299 HydrophobicContact CG1-CE1 4.19Å; V271-Y299 HydrophobicContact CG1-CG 4.03Å; V271-Y299 HydrophobicContact CG2-CD1 4.48Å; V271-Y299 HydrophobicContact CG2-CD2 4.28Å; V271-Y299 HydrophobicContact CG2-CE1 4.46Å; V271-Y299 HydrophobicContact CG2-CE2 4.28Å; V271-Y299 HydrophobicContact CG2-CG 4.38Å; S295-Y299 PolarHBondContact O-N 3.35Å; L296-Y299 PolarHBondContact O-N 2.9Å; I297-Y299 VanDerWaalsContact C-N 3.32Å; I297-Y299 PolarHBondContact O-N 3.09Å; Y299-Q301 VanDerWaalsContact C-N 3.33Å; Y299-Q301 PolarHBondContact O-N 3Å; Y299-Q302 PolarHBondContact O-N 3.03Å; Y299-A305 HydrophobicContact CD1-CB 4.06Å; Y299-A305 HydrophobicContact CE1-CB 3.67Å; Y299-F309 HydrophobicContact CD1-CD1 4.17Å; Y299-F309 AromaticContact CD1-CE1 3.66Å; Y299-F309 HydrophobicContact CD1-CE1 3.66Å; Y299-F309 HydrophobicContact CD1-CE2 4.32Å; Y299-F309 AromaticContact CD1-CZ 3.74Å; Y299-F309 HydrophobicContact CD1-CZ 3.74Å; Y299-F309 HydrophobicContact CE1-CD1 4.1Å; Y299-F309 HydrophobicContact CE1-CD2 4.47Å; Y299-F309 HydrophobicContact CE1-CE1 4.05Å; Y299-F309 HydrophobicContact CE1-CE2 4.43Å; Y299-F309 HydrophobicContact CE1-CG 4.31Å; Y299-F309 HydrophobicContact CE1-CZ 4.22Å |
| 300 | A | 89.6 | Confident | 89.1 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L296 I297 Q302 G303 F309 L310 F382 | L296-A300 PolarHBondContact O-N 3.35Å; I297-A300 PolarHBondContact O-N 3.43Å; A300-Q302 PolarHBondContact O-N 3.12Å; A300-G303 PolarHBondContact O-N 3.24Å; A300-F309 HydrophobicContact CB-CE1 4.46Å; A300-L310 HydrophobicContact CB-CD2 3.64Å; A300-F382 HydrophobicContact CB-CD1 4.42Å; A300-F382 HydrophobicContact CB-CD2 4.14Å; A300-F382 HydrophobicContact CB-CE1 3.96Å; A300-F382 HydrophobicContact CB-CE2 3.64Å; A300-F382 HydrophobicContact CB-CG 4.48Å; A300-F382 HydrophobicContact CB-CZ 3.53Å |
| 301 | Q | 87.9 | Confident | 89 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.4 | -17.5 | -178.7 | -73.8 | -178 | -29.9 | 0 | 0 | 114.7 | I297 E298 Y299 G303 P372 F382 | I297-Q301 HydrophobicContact CG2-CG 4.31Å; I297-Q301 WeakPolarHBondContact O-CB 3.23Å; I297-Q301 VanDerWaalsContact O-CG 3.29Å; I297-Q301 WeakPolarHBondContact O-CG 3.43Å; I297-Q301 PolarHBondContact O-N 3.3Å; E298-Q301 PolarHBondContact O-N 2.85Å; Y299-Q301 VanDerWaalsContact C-N 3.33Å; Y299-Q301 PolarHBondContact O-N 3Å; Q301-G303 PolarHBondContact O-N 2.72Å; Q301-P372 WeakPolarHBondContact O-CG 3.48Å; Q301-F382 HydrophobicContact CG-CE1 4.35Å |
| 302 | Q | 84.3 | Confident | 89.1 | Confident | 105 Ų | 105 | 48.6 Ų | 48.6 | 49% | 0.491 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -12.8 | 176.3 | -70.7 | 167.5 | 29.4 | 0 | 0 | 113 | E298 Y299 A300 N304 P372 | E298-Q302 WeakPolarHBondContact O-CG 3.14Å; E298-Q302 PolarHBondContact O-N 3.48Å; Y299-Q302 PolarHBondContact O-N 3.03Å; A300-Q302 PolarHBondContact O-N 3.12Å; Q302-N304 PolarHBondContact O-N 3.21Å; Q302-P372 WeakPolarHBondContact O-CG 3.47Å |
| 303 | G | 80.7 | Confident | 89.2 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 78.5 | -2.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | A300 Q301 | A300-G303 PolarHBondContact O-N 3.24Å; Q301-G303 PolarHBondContact O-N 2.72Å |
| 304 | N | 81.4 | Confident | 89.2 | Confident | 119 Ų | 119 | 49.2 Ų | 49.2 | 64% | 0.636 | 26% | 0.258 | S | S | * | . | trans | -88.8 | -4.6 | 180 | -64 | -26 | 0 | 0 | 0 | 113.6 | Q302 | Q302-N304 PolarHBondContact O-N 3.21Š| ||
| 305 | A | 86.9 | Confident | 89.2 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -75.1 | 141.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y299 F309 L310 | Y299-A305 HydrophobicContact CD1-CB 4.06Å; Y299-A305 HydrophobicContact CE1-CB 3.67Å; A305-F309 HydrophobicContact CB-CD1 3.79Å; A305-F309 HydrophobicContact CB-CE1 4.35Å; A305-L310 HydrophobicContact CB-CD2 3.86Å; A305-L310 HydrophobicContact CB-CG 4.11Å |
| 306 | T | 89 | Confident | 89.3 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | trans | -72.5 | 150.7 | 176.9 | 65.2 | 0 | 0 | 0 | 0 | 111.5 | L308 F309 L310 | T306-L308 PolarHBondContact O-N 3.39Å; T306-L308 VanDerWaalsContact O-N 3.17Å; T306-F309 WeakPolarHBondContact O-CB 3.28Å; T306-F309 PolarHBondContact O-N 3.36Å; T306-F309 WeakPolarHBondContact OG1-CB 2.94Å; T306-F309 PolarHBondContact OG1-N 3.33Å; T306-L310 WeakPolarHBondContact O-CG 3.19Å; T306-L310 PolarHBondContact O-N 2.96Å | ||
| 307 | S | 87.5 | Confident | 89.4 | Confident | 87 Ų | 87 | 51.2 Ų | 51.2 | 61% | 0.608 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -57.4 | -32.2 | 176 | -48 | 0 | 0 | 0 | 0 | 112.7 | R311 | S307-R311 WeakPolarHBondContact O-CB 3.2Å; S307-R311 PolarHBondContact O-N 3.46Å |
| 308 | L | 88.8 | Confident | 89.3 | Confident | 116 Ų | 116 | 52.1 Ų | 52.1 | 61% | 0.607 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.6 | -45.2 | 174.5 | -179.1 | 63.6 | 0 | 0 | 0 | 111.7 | T306 R311 N312 | T306-L308 PolarHBondContact O-N 3.39Å; T306-L308 VanDerWaalsContact O-N 3.17Å; L308-R311 PolarHBondContact O-N 2.96Å; L308-N312 WeakPolarHBondContact O-CB 3.48Å; L308-N312 VanDerWaalsContact O-CG 3.3Å; L308-N312 PolarHBondContact O-N 2.96Å |
| 309 | F | 92.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 175.5 | 173 | -89.3 | 0 | 0 | 0 | 111 | V271 L275 L296 Y299 A300 A305 T306 R311 N312 F313 | V271-F309 HydrophobicContact CB-CE2 4.31Å; V271-F309 HydrophobicContact CG1-CE2 3.72Å; V271-F309 HydrophobicContact CG1-CZ 3.91Å; L275-F309 HydrophobicContact CB-CE2 4.18Å; L275-F309 HydrophobicContact CD2-CD2 3.85Å; L275-F309 HydrophobicContact CD2-CE2 3.72Å; L275-F309 HydrophobicContact CD2-CZ 4.37Å; L296-F309 HydrophobicContact CB-CZ 4.41Å; L296-F309 HydrophobicContact CD2-CE2 4.27Å; L296-F309 HydrophobicContact CD2-CZ 4.04Å; Y299-F309 HydrophobicContact CD1-CD1 4.17Å; Y299-F309 AromaticContact CD1-CE1 3.66Å; Y299-F309 HydrophobicContact CD1-CE1 3.66Å; Y299-F309 HydrophobicContact CD1-CE2 4.32Å; Y299-F309 AromaticContact CD1-CZ 3.74Å; Y299-F309 HydrophobicContact CD1-CZ 3.74Å; Y299-F309 HydrophobicContact CE1-CD1 4.1Å; Y299-F309 HydrophobicContact CE1-CD2 4.47Å; Y299-F309 HydrophobicContact CE1-CE1 4.05Å; Y299-F309 HydrophobicContact CE1-CE2 4.43Å; Y299-F309 HydrophobicContact CE1-CG 4.31Å; Y299-F309 HydrophobicContact CE1-CZ 4.22Å; A300-F309 HydrophobicContact CB-CE1 4.46Å; A305-F309 HydrophobicContact CB-CD1 3.79Å; A305-F309 HydrophobicContact CB-CE1 4.35Å; T306-F309 WeakPolarHBondContact O-CB 3.28Å; T306-F309 PolarHBondContact O-N 3.36Å; T306-F309 WeakPolarHBondContact OG1-CB 2.94Å; T306-F309 PolarHBondContact OG1-N 3.33Å; F309-R311 PolarHBondContact O-N 3.49Å; F309-N312 PolarHBondContact O-N 3.19Å; F309-F313 HydrophobicContact CE1-CB 4.33Å; F309-F313 VanDerWaalsContact O-CB 3.31Å; F309-F313 WeakPolarHBondContact O-CB 3.49Å; F309-F313 PolarHBondContact O-N 2.85Å |
| 310 | L | 91.5 | Very high | 89.3 | Confident | 12 Ų | 12 | 48.5 Ų | 48.5 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.4 | -44.1 | -178.6 | -63.8 | 173 | 0 | 0 | 0 | 111.7 | A300 A305 T306 F313 H314 A378 F382 | A300-L310 HydrophobicContact CB-CD2 3.64Å; A305-L310 HydrophobicContact CB-CD2 3.86Å; A305-L310 HydrophobicContact CB-CG 4.11Å; T306-L310 WeakPolarHBondContact O-CG 3.19Å; T306-L310 PolarHBondContact O-N 2.96Å; L310-F313 PolarHBondContact O-N 2.86Å; L310-H314 PolarHBondContact O-N 3.31Å; L310-A378 HydrophobicContact CD1-CB 4.01Å; L310-A378 WeakPolarHBondContact CD1-O 3.42Å; L310-F382 HydrophobicContact CD1-CB 4.28Å; L310-F382 HydrophobicContact CD2-CB 4.12Å; L310-F382 HydrophobicContact CD2-CD2 3.68Å; L310-F382 HydrophobicContact CD2-CE2 4.33Å; L310-F382 HydrophobicContact CD2-CG 4Å |
| 311 | R | 89.6 | Confident | 89.2 | Confident | 187 Ų | 187 | 48.5 Ų | 48.5 | 71% | 0.706 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 175.1 | -177.4 | -178.8 | 176.8 | -175.7 | 0.3 | 112.2 | S307 L308 F309 F313 H314 Q315 | S307-R311 WeakPolarHBondContact O-CB 3.2Å; S307-R311 PolarHBondContact O-N 3.46Å; L308-R311 PolarHBondContact O-N 2.96Å; F309-R311 PolarHBondContact O-N 3.49Å; R311-F313 VanDerWaalsContact C-N 3.29Å; R311-F313 PolarHBondContact O-N 3.45Å; R311-H314 PolarHBondContact O-N 2.98Å; R311-Q315 PolarHBondContact O-N 3.14Å |
| 312 | N | 91.7 | Very high | 89.1 | Confident | 42 Ų | 42 | 51.4 Ų | 51.4 | 23% | 0.225 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 177.7 | -74.7 | -14.6 | 0 | 0 | 0 | 111.2 | L275 L308 F309 Q315 V316 | L275-N312 HydrophobicContact CD2-CB 3.8Å; L308-N312 WeakPolarHBondContact O-CB 3.48Å; L308-N312 VanDerWaalsContact O-CG 3.3Å; L308-N312 PolarHBondContact O-N 2.96Å; F309-N312 PolarHBondContact O-N 3.19Å; N312-Q315 PolarHBondContact O-N 3.28Å; N312-V316 WeakPolarHBondContact O-CG2 3.4Å; N312-V316 PolarHBondContact O-N 2.91Å |
| 313 | F | 94.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 178.4 | 175.4 | -93.4 | 0 | 0 | 0 | 110.7 | L275 L296 I297 F309 L310 R311 Q315 V316 M317 F382 M386 | L275-F313 HydrophobicContact CD1-CB 4.45Å; L275-F313 HydrophobicContact CD1-CD2 4.09Å; L275-F313 HydrophobicContact CD2-CB 3.98Å; L296-F313 HydrophobicContact CB-CD2 4Å; L296-F313 HydrophobicContact CB-CE2 3.7Å; L296-F313 HydrophobicContact CD1-CD2 4.33Å; L296-F313 HydrophobicContact CD1-CE2 4.32Å; I297-F313 HydrophobicContact CD1-CZ 4.32Å; I297-F313 HydrophobicContact CG1-CE1 4.2Å; I297-F313 HydrophobicContact CG1-CE2 4.32Å; I297-F313 HydrophobicContact CG1-CZ 3.52Å; F309-F313 HydrophobicContact CE1-CB 4.33Å; F309-F313 VanDerWaalsContact O-CB 3.31Å; F309-F313 WeakPolarHBondContact O-CB 3.49Å; F309-F313 PolarHBondContact O-N 2.85Å; L310-F313 PolarHBondContact O-N 2.86Å; R311-F313 VanDerWaalsContact C-N 3.29Å; R311-F313 PolarHBondContact O-N 3.45Å; F313-Q315 VanDerWaalsContact C-N 3.3Å; F313-Q315 PolarHBondContact O-N 3.18Å; F313-V316 PolarHBondContact O-N 3.21Å; F313-V316 VanDerWaalsContact O-N 3.13Å; F313-M317 HydrophobicContact CD1-CG 4.11Å; F313-M317 HydrophobicContact CE1-CG 3.58Å; F313-M317 HydrophobicContact CE1-SD 4.41Å; F313-M317 HydrophobicContact CE2-CG 4.09Å; F313-M317 HydrophobicContact CE2-SD 4.21Å; F313-M317 HydrophobicContact CZ-CG 3.55Å; F313-M317 HydrophobicContact CZ-SD 3.8Å; F313-M317 WeakPolarHBondContact O-CG 3.5Å; F313-M317 PolarHBondContact O-N 3.15Å; F313-F382 AromaticContact CD1-CE2 3.75Å; F313-F382 HydrophobicContact CD1-CE2 3.75Å; F313-F382 AromaticContact CE1-CE2 3.8Å; F313-F382 HydrophobicContact CE1-CE2 3.8Å; F313-F382 HydrophobicContact CE1-CZ 4.36Å; F313-M386 HydrophobicContact CE1-SD 3.98Å |
| 314 | H | 92.8 | Very high | 89.1 | Confident | 44 Ų | 44 | 46.9 Ų | 46.9 | 20% | 0.204 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.3 | -45.1 | 174.9 | 175.6 | -138.4 | 0 | 0 | 0 | 111.5 | L310 R311 V316 M317 V318 D385 | L310-H314 PolarHBondContact O-N 3.31Å; R311-H314 PolarHBondContact O-N 2.98Å; H314-V316 VanDerWaalsContact C-N 3.35Å; H314-V316 PolarHBondContact O-N 3.08Å; H314-M317 PolarHBondContact O-N 3.15Å; H314-V318 WeakPolarHBondContact NE2-CG2 3.39Å; H314-V318 WeakPolarHBondContact O-CG2 3.48Å; H314-V318 PolarHBondContact O-N 3.16Å; H314-D385 HydrophobicContact CB-CB 4.22Å; H314-D385 IonicContact CE1-OD1 2.66Å; H314-D385 IonicContact CG-OD2 3.81Å; H314-D385 IonicContact ND1-OD1 3.12Å; H314-D385 IonicContact ND1-OD2 3.26Å; H314-D385 PolarHBondContact ND1-OD2 3.17Å |
| 315 | Q | 91.6 | Very high | 89.2 | Confident | 97 Ų | 97 | 41.4 Ų | 41.4 | 45% | 0.453 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.3 | -41.5 | 176.4 | -173.2 | 64.1 | 57.5 | 0 | 0 | 112.8 | R311 N312 F313 V318 N319 | R311-Q315 PolarHBondContact O-N 3.14Å; N312-Q315 PolarHBondContact O-N 3.28Å; F313-Q315 VanDerWaalsContact C-N 3.3Å; F313-Q315 PolarHBondContact O-N 3.18Å; Q315-V318 PolarHBondContact O-N 3.11Å; Q315-N319 PolarHBondContact NE2-OD1 3.24Å; Q315-N319 WeakPolarHBondContact O-CB 3.18Å; Q315-N319 PolarHBondContact O-N 2.92Å; Q315-N319 PolarHBondContact O-OD1 2.73Å |
| 316 | V | 93.3 | Very high | 89 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 175.9 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | L275 I278 R279 V282 N312 F313 H314 N319 L320 | L275-V316 HydrophobicContact CD1-CB 3.94Å; L275-V316 HydrophobicContact CD1-CG1 4.1Å; L275-V316 HydrophobicContact CD1-CG2 3.75Å; L275-V316 HydrophobicContact CG-CG2 4.3Å; I278-V316 HydrophobicContact CG2-CG1 3.84Å; R279-V316 HydrophobicContact CB-CG2 3.6Å; R279-V316 HydrophobicContact CG-CG2 3.88Å; V282-V316 HydrophobicContact CG2-CG1 4.36Å; N312-V316 WeakPolarHBondContact O-CG2 3.4Å; N312-V316 PolarHBondContact O-N 2.91Å; F313-V316 PolarHBondContact O-N 3.21Å; F313-V316 VanDerWaalsContact O-N 3.13Å; H314-V316 VanDerWaalsContact C-N 3.35Å; H314-V316 PolarHBondContact O-N 3.08Å; V316-N319 PolarHBondContact O-N 3.25Å; V316-L320 VanDerWaalsContact O-CB 3.31Å; V316-L320 WeakPolarHBondContact O-CB 3.44Å; V316-L320 PolarHBondContact O-N 3.06Å |
| 317 | M | 93.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 178.2 | -69.1 | -61.1 | -68.7 | 0 | 0 | 112.4 | L293 F313 H314 L320 L321 V340 L341 L389 | L293-M317 HydrophobicContact CD1-SD 3.96Å; L293-M317 HydrophobicContact CD2-SD 4.27Å; F313-M317 HydrophobicContact CD1-CG 4.11Å; F313-M317 HydrophobicContact CE1-CG 3.58Å; F313-M317 HydrophobicContact CE1-SD 4.41Å; F313-M317 HydrophobicContact CE2-CG 4.09Å; F313-M317 HydrophobicContact CE2-SD 4.21Å; F313-M317 HydrophobicContact CZ-CG 3.55Å; F313-M317 HydrophobicContact CZ-SD 3.8Å; F313-M317 WeakPolarHBondContact O-CG 3.5Å; F313-M317 PolarHBondContact O-N 3.15Å; H314-M317 PolarHBondContact O-N 3.15Å; M317-L320 PolarHBondContact O-N 3.18Å; M317-L321 WeakPolarHBondContact O-CB 3.42Å; M317-L321 PolarHBondContact O-N 3.47Å; M317-V340 HydrophobicContact CE-CG1 4.03Å; M317-L341 HydrophobicContact CE-CD2 3.9Å; M317-L389 HydrophobicContact CB-CD1 4.04Å; M317-L389 HydrophobicContact CB-CD2 3.69Å; M317-L389 HydrophobicContact CE-CD2 3.8Å; M317-L389 HydrophobicContact CG-CD2 4.3Å |
| 318 | V | 90.4 | Very high | 87.7 | Confident | 20 Ų | 20 | 37.1 Ų | 37.1 | 12% | 0.121 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.3 | -47.5 | 174.3 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | H314 Q315 L320 L321 I322 L389 | H314-V318 WeakPolarHBondContact NE2-CG2 3.39Å; H314-V318 WeakPolarHBondContact O-CG2 3.48Å; H314-V318 PolarHBondContact O-N 3.16Å; Q315-V318 PolarHBondContact O-N 3.11Å; V318-L320 VanDerWaalsContact C-N 3.28Å; V318-L320 PolarHBondContact O-N 3.48Å; V318-L321 PolarHBondContact O-N 2.81Å; V318-I322 HydrophobicContact CG1-CD1 3.64Å; V318-I322 HydrophobicContact CG1-CG1 4.3Å; V318-I322 VanDerWaalsContact O-CG1 3.28Å; V318-I322 WeakPolarHBondContact O-CG1 3.3Å; V318-I322 PolarHBondContact O-N 3.49Å; V318-L389 HydrophobicContact CG2-CD1 3.89Å |
| 319 | N | 88.3 | Confident | 86.5 | Confident | 54 Ų | 54 | 32.4 Ų | 32.4 | 29% | 0.289 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.6 | -39.6 | 176.9 | -73.2 | -5.9 | 0 | 0 | 0 | 111.9 | V282 Q315 V316 I322 T323 | V282-N319 HydrophobicContact CG1-CB 4.39Å; Q315-N319 PolarHBondContact NE2-OD1 3.24Å; Q315-N319 WeakPolarHBondContact O-CB 3.18Å; Q315-N319 PolarHBondContact O-N 2.92Å; Q315-N319 PolarHBondContact O-OD1 2.73Å; V316-N319 PolarHBondContact O-N 3.25Å; N319-I322 PolarHBondContact O-N 3.2Å; N319-T323 WeakPolarHBondContact O-CB 3.49Å; N319-T323 WeakPolarHBondContact O-CG2 3.13Å; N319-T323 PolarHBondContact O-N 3.38Å; N319-T323 PolarHBondContact O-OG1 2.79Å |
| 320 | L | 89.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 176.8 | -176 | 64.1 | 0 | 0 | 0 | 111 | V282 L287 P288 L293 V316 M317 V318 I322 T323 N324 Y336 Y337 | V282-L320 HydrophobicContact CG1-CB 4.19Å; V282-L320 HydrophobicContact CG1-CD1 4.04Å; V282-L320 HydrophobicContact CG2-CD1 4.46Å; L287-L320 HydrophobicContact CD2-CD1 4Å; P288-L320 HydrophobicContact CG-CD2 4.49Å; L293-L320 HydrophobicContact CD1-CD2 3.57Å; V316-L320 VanDerWaalsContact O-CB 3.31Å; V316-L320 WeakPolarHBondContact O-CB 3.44Å; V316-L320 PolarHBondContact O-N 3.06Å; M317-L320 PolarHBondContact O-N 3.18Å; V318-L320 VanDerWaalsContact C-N 3.28Å; V318-L320 PolarHBondContact O-N 3.48Å; L320-I322 VanDerWaalsContact C-N 3.34Å; L320-I322 PolarHBondContact O-N 3.47Å; L320-T323 PolarHBondContact O-N 2.88Å; L320-T323 PolarHBondContact O-OG1 3.38Å; L320-N324 WeakPolarHBondContact O-CA 3.47Å; L320-N324 WeakPolarHBondContact O-CB 3.47Å; L320-N324 PolarHBondContact O-N 3.5Å; L320-Y336 HydrophobicContact CD2-CE1 4.05Å; L320-Y337 VanDerWaalsContact C-OH 3.31Å; L320-Y337 PolarHBondContact O-OH 2.9Å; L320-Y337 VanDerWaalsContact O-OH 3.11Å |
| 321 | L | 88.3 | Confident | 84.3 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64 | -36.7 | 176.3 | -175.1 | 132 | 0 | 0 | 0 | 112.8 | M317 V318 P325 W327 Y337 L389 M392 L393 | M317-L321 WeakPolarHBondContact O-CB 3.42Å; M317-L321 PolarHBondContact O-N 3.47Å; V318-L321 PolarHBondContact O-N 2.81Å; L321-P325 VanDerWaalsContact O-CA 3.25Å; L321-P325 WeakPolarHBondContact O-CA 3.18Å; L321-W327 HydrophobicContact CD1-CZ3 4.17Å; L321-W327 HydrophobicContact CD2-CH2 3.46Å; L321-W327 VanDerWaalsContact CD2-CH2 3.46Å; L321-W327 HydrophobicContact CD2-CZ3 3.86Å; L321-W327 HydrophobicContact CG-CH2 3.87Å; L321-W327 HydrophobicContact CG-CZ3 3.86Å; L321-Y337 VanDerWaalsContact CA-OH 3.26Å; L321-Y337 WeakPolarHBondContact CA-OH 3.42Å; L321-Y337 PolarHBondContact N-OH 2.84Å; L321-L389 HydrophobicContact CB-CD1 4.46Å; L321-L389 HydrophobicContact CD1-CD1 4.33Å; L321-M392 HydrophobicContact CD2-CB 4.38Å; L321-M392 HydrophobicContact CD2-CG 3.73Å; L321-M392 HydrophobicContact CD2-SD 3.39Å; L321-M392 WeakPolarHBondContact CD2-SD 3.37Å; L321-L393 HydrophobicContact CD1-CB 3.67Å; L321-L393 HydrophobicContact CD1-CD1 4.03Å; L321-L393 HydrophobicContact CD1-CG 4.2Å |
| 322 | I | 84.3 | Confident | 83.7 | Confident | 73 Ų | 73 | 37.4 Ų | 37.4 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70 | -43.7 | 178 | -67.7 | 170 | 0 | 0 | 0 | 111.7 | Y244 V318 N319 L320 | Y244-I322 HydrophobicContact CE1-CB 4.35Å; Y244-I322 HydrophobicContact CE1-CG2 4.02Å; Y244-I322 WeakPolarHBondContact CE1-O 3.38Å; V318-I322 HydrophobicContact CG1-CD1 3.64Å; V318-I322 HydrophobicContact CG1-CG1 4.3Å; V318-I322 VanDerWaalsContact O-CG1 3.28Å; V318-I322 WeakPolarHBondContact O-CG1 3.3Å; V318-I322 PolarHBondContact O-N 3.49Å; N319-I322 PolarHBondContact O-N 3.2Å; L320-I322 VanDerWaalsContact C-N 3.34Å; L320-I322 PolarHBondContact O-N 3.47Å |
| 323 | T | 81.6 | Confident | 83.3 | Confident | 32 Ų | 32 | 36 Ų | 36 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -80.6 | -30.2 | -176.5 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | V282 P284 N319 L320 P325 | V282-T323 HydrophobicContact CG1-CG2 4.33Å; V282-T323 VanDerWaalsContact CG1-OG1 3.22Å; V282-T323 WeakPolarHBondContact CG1-OG1 3.39Å; P284-T323 WeakPolarHBondContact CA-O 3.21Å; P284-T323 HydrophobicContact CG-CG2 4.42Å; N319-T323 WeakPolarHBondContact O-CB 3.49Å; N319-T323 WeakPolarHBondContact O-CG2 3.13Å; N319-T323 PolarHBondContact O-N 3.38Å; N319-T323 PolarHBondContact O-OG1 2.79Å; L320-T323 PolarHBondContact O-N 2.88Å; L320-T323 PolarHBondContact O-OG1 3.38Å; T323-P325 WeakPolarHBondContact O-CD 3.47Å |
| 324 | N | 83.8 | Confident | 82.9 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -125.8 | 59.2 | -178.8 | -66.7 | -84.2 | 0 | 0 | 0 | 111.8 | F283 G285 V286 L287 L320 S326 V333 Y337 | F283-N324 PolarHBondContact O-ND2 3.38Å; G285-N324 VanDerWaalsContact CA-OD1 3.26Å; G285-N324 WeakPolarHBondContact CA-OD1 3.44Å; G285-N324 PolarHBondContact N-OD1 2.93Å; V286-N324 PolarHBondContact O-ND2 3.08Å; L287-N324 HydrophobicContact CD2-CB 3.67Å; L320-N324 WeakPolarHBondContact O-CA 3.47Å; L320-N324 WeakPolarHBondContact O-CB 3.47Å; L320-N324 PolarHBondContact O-N 3.5Å; N324-S326 PolarHBondContact O-N 3.14Å; N324-V333 WeakPolarHBondContact O-CG1 3.37Å; N324-Y337 WeakPolarHBondContact O-CE2 3.48Å; N324-Y337 PolarHBondContact O-OH 2.82Å |
| 325 | P | 83.9 | Confident | 82.6 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.019 | 22% | 0.222 | C | C | . | . | trans | -64.6 | 123.3 | -172.5 | 24.1 | -33.3 | 0 | 0 | 0 | 112.4 | Y244 L321 T323 W327 L328 A329 | Y244-P325 HydrophobicContact CD1-CB 4.43Å; Y244-P325 HydrophobicContact CD1-CG 4.22Å; L321-P325 VanDerWaalsContact O-CA 3.25Å; L321-P325 WeakPolarHBondContact O-CA 3.18Å; T323-P325 WeakPolarHBondContact O-CD 3.47Å; P325-W327 HydrophobicContact CB-CD2 3.89Å; P325-W327 HydrophobicContact CB-CE3 4.27Å; P325-W327 HydrophobicContact CB-CG 4.48Å; P325-W327 HydrophobicContact CB-CH2 3.96Å; P325-W327 HydrophobicContact CB-CZ2 3.56Å; P325-W327 HydrophobicContact CB-CZ3 4.3Å; P325-W327 PolarHBondContact O-N 2.91Å; P325-W327 VanDerWaalsContact O-N 3.12Å; P325-L328 HydrophobicContact CB-CD1 4.46Å; P325-L328 HydrophobicContact CB-CG 4.49Å; P325-L328 HydrophobicContact CG-CB 4.04Å; P325-L328 HydrophobicContact CG-CD1 3.8Å; P325-L328 HydrophobicContact CG-CG 4.16Å; P325-L328 PolarHBondContact O-N 3.43Å; P325-L328 VanDerWaalsContact O-N 3.15Å; P325-A329 WeakPolarHBondContact O-CB 3.48Å; P325-A329 PolarHBondContact O-N 3.41Å | ||
| 326 | S | 82.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.1 | -178.8 | 70.8 | 0 | 0 | 0 | 0 | 113.2 | N324 K334 | N324-S326 PolarHBondContact O-N 3.14Å; S326-K334 WeakPolarHBondContact O-CE 2.91Å; S326-K334 WeakPolarHBondContact O-CG 3.36Å |
| 327 | W | 79.4 | Confident | 82.5 | Confident | 14 Ų | 14 | 39.6 Ų | 39.6 | 5% | 0.053 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -6 | -176.9 | 61.7 | 85.1 | 0 | 0 | 0 | 114.6 | F241 Y244 L321 P325 G396 S400 | F241-W327 AromaticContact CD1-CE2 3.96Å; F241-W327 HydrophobicContact CD1-CH2 4.31Å; F241-W327 AromaticContact CD1-CZ2 3.51Å; F241-W327 HydrophobicContact CD1-CZ2 3.51Å; F241-W327 AromaticContact CE1-CH2 3.87Å; F241-W327 HydrophobicContact CE1-CH2 3.87Å; F241-W327 AromaticContact CE1-CZ2 3.53Å; F241-W327 HydrophobicContact CE1-CZ2 3.53Å; Y244-W327 HydrophobicContact CD1-CZ2 4.39Å; Y244-W327 HydrophobicContact CE1-CZ2 4Å; L321-W327 HydrophobicContact CD1-CZ3 4.17Å; L321-W327 HydrophobicContact CD2-CH2 3.46Å; L321-W327 VanDerWaalsContact CD2-CH2 3.46Å; L321-W327 HydrophobicContact CD2-CZ3 3.86Å; L321-W327 HydrophobicContact CG-CH2 3.87Å; L321-W327 HydrophobicContact CG-CZ3 3.86Å; P325-W327 HydrophobicContact CB-CD2 3.89Å; P325-W327 HydrophobicContact CB-CE3 4.27Å; P325-W327 HydrophobicContact CB-CG 4.48Å; P325-W327 HydrophobicContact CB-CH2 3.96Å; P325-W327 HydrophobicContact CB-CZ2 3.56Å; P325-W327 HydrophobicContact CB-CZ3 4.3Å; P325-W327 PolarHBondContact O-N 2.91Å; P325-W327 VanDerWaalsContact O-N 3.12Å; W327-G396 VanDerWaalsContact CB-C 3.46Å; W327-G396 VanDerWaalsContact CB-O 3.25Å; W327-G396 WeakPolarHBondContact CB-O 3.42Å; W327-G396 VanDerWaalsContact CD2-CA 3.48Å; W327-G396 VanDerWaalsContact CG-C 3.43Å; W327-G396 VanDerWaalsContact CG-O 3.28Å; W327-S400 WeakPolarHBondContact O-CB 3.16Å |
| 328 | L | 70.8 | Confident | 82.2 | Confident | 74 Ų | 74 | 41.4 Ų | 41.4 | 39% | 0.387 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -15.4 | 171.7 | -62 | 176.9 | 0 | 0 | 0 | 113.2 | P325 | P325-L328 HydrophobicContact CB-CD1 4.46Å; P325-L328 HydrophobicContact CB-CG 4.49Å; P325-L328 HydrophobicContact CG-CB 4.04Å; P325-L328 HydrophobicContact CG-CD1 3.8Å; P325-L328 HydrophobicContact CG-CG 4.16Å; P325-L328 PolarHBondContact O-N 3.43Å; P325-L328 VanDerWaalsContact O-N 3.15Å |
| 329 | A | 62.1 | Low | 82.2 | Confident | 18 Ų | 18 | 44.8 Ų | 44.8 | 15% | 0.149 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -98.4 | 168.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P325 V333 | P325-A329 WeakPolarHBondContact O-CB 3.48Å; P325-A329 PolarHBondContact O-N 3.41Å; A329-V333 HydrophobicContact CB-CB 3.62Å; A329-V333 HydrophobicContact CB-CG1 4.04Å; A329-V333 HydrophobicContact CB-CG2 3.4Å |
| 330 | Q | 65.9 | Low | 82.4 | Confident | 141 Ų | 141 | 42.3 Ų | 42.3 | 66% | 0.659 | 22% | 0.221 | S | C | * | . | trans | -61.6 | 163.7 | 176.2 | -63.8 | -179.8 | -0.5 | 0 | 0 | 112.1 | S332 V333 | Q330-S332 PolarHBondContact O-N 2.89Å; Q330-V333 PolarHBondContact O-N 2.82Å | ||
| 331 | N | 71.8 | Confident | 82.5 | Confident | 98 Ų | 98 | 42.5 Ų | 42.5 | 52% | 0.524 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -52.5 | -21.6 | 178.9 | -75.5 | -12.8 | 0 | 0 | 0 | 114.4 | K335 | N331-K335 WeakPolarHBondContact O-CG 3.46Å; N331-K335 PolarHBondContact O-N 3.1Å; N331-K335 VanDerWaalsContact O-N 3.11Å |
| 332 | S | 77.9 | Confident | 82.6 | Confident | 67 Ų | 67 | 44 Ų | 44 | 47% | 0.469 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 175 | 47.3 | 0 | 0 | 0 | 0 | 113 | Q330 K335 Y336 | Q330-S332 PolarHBondContact O-N 2.89Å; S332-K335 PolarHBondContact O-N 3.34Å; S332-Y336 WeakPolarHBondContact O-CB 3.46Å; S332-Y336 PolarHBondContact O-N 3.27Å |
| 333 | V | 83.7 | Confident | 82.6 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 7% | 0.073 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.7 | -36.3 | -179.2 | -177.3 | 0 | 0 | 0 | 0 | 111 | L287 N324 A329 Q330 Y336 Y337 | L287-V333 HydrophobicContact CD1-CG2 4.12Å; N324-V333 WeakPolarHBondContact O-CG1 3.37Å; A329-V333 HydrophobicContact CB-CB 3.62Å; A329-V333 HydrophobicContact CB-CG1 4.04Å; A329-V333 HydrophobicContact CB-CG2 3.4Å; Q330-V333 PolarHBondContact O-N 2.82Å; V333-Y336 WeakPolarHBondContact O-CB 3.49Å; V333-Y336 PolarHBondContact O-N 3.17Å; V333-Y337 HydrophobicContact CG1-CD2 3.88Å; V333-Y337 HydrophobicContact CG1-CE2 3.6Å; V333-Y337 VanDerWaalsContact O-CD2 3.26Å; V333-Y337 WeakPolarHBondContact O-CD2 3.23Å; V333-Y337 PolarHBondContact O-N 3.44Å |
| 334 | K | 84.8 | Confident | 82.7 | Confident | 40 Ų | 40 | 39.1 Ų | 39.1 | 17% | 0.174 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 173.3 | -60.1 | -164.9 | 177 | -148.9 | 0 | 111.9 | S326 Y336 Y337 A338 E397 G421 | S326-K334 WeakPolarHBondContact O-CE 2.91Å; S326-K334 WeakPolarHBondContact O-CG 3.36Å; K334-Y336 VanDerWaalsContact C-N 3.27Å; K334-Y336 PolarHBondContact O-N 3.08Å; K334-Y337 PolarHBondContact O-N 3.27Å; K334-A338 WeakPolarHBondContact O-CB 3.37Å; K334-A338 PolarHBondContact O-N 3.5Å; K334-E397 IonicContact NZ-OE1 2.62Å; K334-E397 PolarHBondContact NZ-OE1 3Å; K334-G421 WeakPolarHBondContact CD-O 3.4Å |
| 335 | K | 87 | Confident | 82.6 | Confident | 154 Ų | 154 | 46.5 Ų | 46.5 | 67% | 0.67 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -60.7 | -39 | 173.7 | -73.6 | 178.4 | 178.8 | -172.2 | 0 | 111.8 | N331 S332 A338 Q339 | N331-K335 WeakPolarHBondContact O-CG 3.46Å; N331-K335 PolarHBondContact O-N 3.1Å; N331-K335 VanDerWaalsContact O-N 3.11Å; S332-K335 PolarHBondContact O-N 3.34Å; K335-A338 PolarHBondContact O-N 3.3Å; K335-Q339 WeakPolarHBondContact O-CB 3.31Å; K335-Q339 PolarHBondContact O-N 3.46Å |
| 336 | Y | 90.5 | Very high | 82.6 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60 | -51.9 | 176.4 | 175.9 | -93.9 | 0 | 0 | 0 | 112.1 | L287 P288 A290 L293 L320 S332 V333 K334 A338 Q339 V340 | L287-Y336 HydrophobicContact CB-CD2 4.39Å; L287-Y336 HydrophobicContact CB-CE2 4.19Å; L287-Y336 HydrophobicContact CD1-CD1 4.09Å; L287-Y336 HydrophobicContact CD1-CD2 4.16Å; L287-Y336 HydrophobicContact CD1-CG 3.82Å; L287-Y336 HydrophobicContact CD2-CD1 3.96Å; L287-Y336 HydrophobicContact CD2-CE1 3.91Å; L287-Y336 HydrophobicContact CD2-CG 4.49Å; P288-Y336 WeakPolarHBondContact CG-OH 3.45Å; P288-Y336 WeakPolarHBondContact O-CE2 3.49Å; P288-Y336 PolarHBondContact O-OH 3.36Å; A290-Y336 HydrophobicContact CB-CD2 4.11Å; A290-Y336 HydrophobicContact CB-CE2 3.78Å; L293-Y336 WeakPolarHBondContact CD1-OH 3.26Å; L320-Y336 HydrophobicContact CD2-CE1 4.05Å; S332-Y336 WeakPolarHBondContact O-CB 3.46Å; S332-Y336 PolarHBondContact O-N 3.27Å; V333-Y336 WeakPolarHBondContact O-CB 3.49Å; V333-Y336 PolarHBondContact O-N 3.17Å; K334-Y336 VanDerWaalsContact C-N 3.27Å; K334-Y336 PolarHBondContact O-N 3.08Å; Y336-A338 VanDerWaalsContact C-N 3.33Å; Y336-A338 PolarHBondContact O-N 3.29Å; Y336-Q339 WeakPolarHBondContact O-CB 3.24Å; Y336-Q339 PolarHBondContact O-N 2.64Å; Y336-Q339 VanDerWaalsContact O-N 3.08Å; Y336-V340 HydrophobicContact CD1-CG2 4.22Å; Y336-V340 HydrophobicContact CD2-CG2 4.36Å; Y336-V340 HydrophobicContact CE1-CG2 3.74Å; Y336-V340 HydrophobicContact CE2-CG2 3.89Å; Y336-V340 WeakPolarHBondContact O-CG2 3.43Å; Y336-V340 PolarHBondContact O-N 3.26Å |
| 337 | Y | 91.3 | Very high | 82.7 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.3 | -34.8 | 176.9 | -75.8 | -73.4 | 0 | 0 | 0 | 113.1 | L320 L321 N324 V333 K334 Q339 V340 L341 L393 | L320-Y337 VanDerWaalsContact C-OH 3.31Å; L320-Y337 PolarHBondContact O-OH 2.9Å; L320-Y337 VanDerWaalsContact O-OH 3.11Å; L321-Y337 VanDerWaalsContact CA-OH 3.26Å; L321-Y337 WeakPolarHBondContact CA-OH 3.42Å; L321-Y337 PolarHBondContact N-OH 2.84Å; N324-Y337 WeakPolarHBondContact O-CE2 3.48Å; N324-Y337 PolarHBondContact O-OH 2.82Å; V333-Y337 HydrophobicContact CG1-CD2 3.88Å; V333-Y337 HydrophobicContact CG1-CE2 3.6Å; V333-Y337 VanDerWaalsContact O-CD2 3.26Å; V333-Y337 WeakPolarHBondContact O-CD2 3.23Å; V333-Y337 PolarHBondContact O-N 3.44Å; K334-Y337 PolarHBondContact O-N 3.27Å; Y337-Q339 PolarHBondContact O-N 3.1Å; Y337-V340 PolarHBondContact O-N 3.42Å; Y337-L341 HydrophobicContact CD1-CD1 4.24Å; Y337-L341 WeakPolarHBondContact O-CB 3.46Å; Y337-L341 PolarHBondContact O-N 3.01Å; Y337-L393 HydrophobicContact CD1-CD1 3.97Å; Y337-L393 HydrophobicContact CD2-CD1 4.47Å; Y337-L393 HydrophobicContact CG-CD1 3.88Å |
| 338 | A | 88.9 | Confident | 82.8 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 33% | 0.331 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.6 | -35 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K334 K335 Y336 L423 | K334-A338 WeakPolarHBondContact O-CB 3.37Å; K334-A338 PolarHBondContact O-N 3.5Å; K335-A338 PolarHBondContact O-N 3.3Å; Y336-A338 VanDerWaalsContact C-N 3.33Å; Y336-A338 PolarHBondContact O-N 3.29Å; A338-L423 HydrophobicContact CB-CD2 3.7Å |
| 339 | Q | 90.7 | Very high | 83.5 | Confident | 91 Ų | 91 | 58.1 Ų | 58.1 | 43% | 0.425 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -77.5 | -42.6 | 177.9 | -175.9 | -178.9 | 3.4 | 0 | 0 | 112.3 | A290 I294 K335 Y336 Y337 Q342 | A290-Q339 HydrophobicContact CB-CG 3.99Å; I294-Q339 HydrophobicContact CD1-CG 4.32Å; I294-Q339 WeakPolarHBondContact CD1-O 3.19Å; K335-Q339 WeakPolarHBondContact O-CB 3.31Å; K335-Q339 PolarHBondContact O-N 3.46Å; Y336-Q339 WeakPolarHBondContact O-CB 3.24Å; Y336-Q339 PolarHBondContact O-N 2.64Å; Y336-Q339 VanDerWaalsContact O-N 3.08Å; Y337-Q339 PolarHBondContact O-N 3.1Å; Q339-Q342 VanDerWaalsContact O-CD 3.26Å; Q339-Q342 WeakPolarHBondContact O-CG 3.27Å; Q339-Q342 PolarHBondContact O-NE2 3.08Å |
| 340 | V | 92.4 | Very high | 84.8 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71 | -44.1 | -178.6 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | A290 L293 I297 M317 Y336 Y337 Q342 | A290-V340 HydrophobicContact CB-CG2 3.65Å; L293-V340 HydrophobicContact CB-CG1 3.77Å; L293-V340 HydrophobicContact CB-CG2 4.4Å; L293-V340 HydrophobicContact CD1-CG1 3.88Å; L293-V340 HydrophobicContact CD1-CG2 4.17Å; I297-V340 HydrophobicContact CD1-CG1 4.26Å; M317-V340 HydrophobicContact CE-CG1 4.03Å; Y336-V340 HydrophobicContact CD1-CG2 4.22Å; Y336-V340 HydrophobicContact CD2-CG2 4.36Å; Y336-V340 HydrophobicContact CE1-CG2 3.74Å; Y336-V340 HydrophobicContact CE2-CG2 3.89Å; Y336-V340 WeakPolarHBondContact O-CG2 3.43Å; Y336-V340 PolarHBondContact O-N 3.26Å; Y337-V340 PolarHBondContact O-N 3.42Å; V340-Q342 PolarHBondContact O-N 2.97Å |
| 341 | L | 91.5 | Very high | 86.1 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 24.6 | -174.9 | -56 | 172.6 | 0 | 0 | 0 | 112.9 | M317 Y337 L350 L353 M386 L389 L393 | M317-L341 HydrophobicContact CE-CD2 3.9Å; Y337-L341 HydrophobicContact CD1-CD1 4.24Å; Y337-L341 WeakPolarHBondContact O-CB 3.46Å; Y337-L341 PolarHBondContact O-N 3.01Å; L341-L350 HydrophobicContact CB-CD1 3.66Å; L341-L350 HydrophobicContact CD1-CD1 4.49Å; L341-L350 WeakPolarHBondContact O-CA 3.45Å; L341-L350 VanDerWaalsContact O-CD1 3.22Å; L341-L350 WeakPolarHBondContact O-CD1 2.88Å; L341-L353 HydrophobicContact CB-CD2 4.35Å; L341-L353 VanDerWaalsContact O-CD2 3.26Å; L341-L353 WeakPolarHBondContact O-CD2 3.49Å; L341-M386 HydrophobicContact CD2-CE 3.8Å; L341-L389 HydrophobicContact CD2-CD2 4.3Å; L341-L393 HydrophobicContact CD1-CD1 3.93Å |
| 342 | Q | 89.6 | Confident | 87 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 16% | 0.159 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -82.9 | 155.7 | 168.2 | 72.4 | -167.5 | -23.5 | 0 | 0 | 110.2 | Q339 V340 P344 G349 | Q339-Q342 VanDerWaalsContact O-CD 3.26Å; Q339-Q342 WeakPolarHBondContact O-CG 3.27Å; Q339-Q342 PolarHBondContact O-NE2 3.08Å; V340-Q342 PolarHBondContact O-N 2.97Å; Q342-P344 VanDerWaalsContact O-CD 3.29Å; Q342-P344 WeakPolarHBondContact O-CD 3.06Å; Q342-P344 VanDerWaalsContact O-N 3.15Å; Q342-G349 WeakPolarHBondContact CA-O 3.33Å |
| 343 | C | 85.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | trans | -57.7 | 121.4 | 167.6 | 170.6 | 0 | 0 | 0 | 0 | 109.1 | R345 C346 K347 G349 P352 L353 | C343-R345 PolarHBondContact O-N 3.47Å; C343-C346 WeakPolarHBondContact CB-SG 3.49Å; C343-C346 PolarHBondContact SG-SG 2.96Å; C343-K347 VanDerWaalsContact O-CA 3.27Å; C343-K347 WeakPolarHBondContact O-CA 3.49Å; C343-K347 PolarHBondContact O-N 3.06Å; C343-G349 PolarHBondContact N-O 3.22Å; C343-P352 HydrophobicContact CB-CB 4.2Å; C343-L353 HydrophobicContact CB-CB 4.49Å | ||
| 344 | P | 82.9 | Confident | 88.1 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.013 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -32.4 | -173.1 | -24.8 | 33.5 | 0 | 0 | 0 | 113.8 | I294 I297 E298 Q342 K347 | I294-P344 HydrophobicContact CG2-CB 3.98Å; I294-P344 HydrophobicContact CG2-CG 4.49Å; I297-P344 HydrophobicContact CB-CG 4.25Å; I297-P344 HydrophobicContact CG2-CG 3.7Å; E298-P344 HydrophobicContact CG-CB 3.2Å; E298-P344 HydrophobicContact CG-CG 3.82Å; E298-P344 VanDerWaalsContact OE1-CB 3.23Å; E298-P344 WeakPolarHBondContact OE1-CB 3.26Å; Q342-P344 VanDerWaalsContact O-CD 3.29Å; Q342-P344 WeakPolarHBondContact O-CD 3.06Å; Q342-P344 VanDerWaalsContact O-N 3.15Å; P344-K347 WeakPolarHBondContact O-CE 3.48Å; P344-K347 WeakPolarHBondContact O-CG 3.43Å |
| 345 | R | 81.6 | Confident | 88.4 | Confident | 159 Ų | 159 | 44.1 Ų | 44.1 | 60% | 0.6 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -56.4 | -179.2 | -76.2 | 178.9 | 147.8 | -171.1 | 0.6 | 113.5 | C343 H369 P370 | C343-R345 PolarHBondContact O-N 3.47Å; R345-H369 VanDerWaalsContact CB-CD2 3.47Å; R345-H369 WeakPolarHBondContact CB-CD2 3.47Å; R345-H369 WeakPolarHBondContact CD-CD2 3.45Å; R345-H369 WeakPolarHBondContact CD-CE1 3.23Å; R345-H369 VanDerWaalsContact CD-CG 3.46Å; R345-H369 WeakPolarHBondContact CD-ND1 3.33Å; R345-H369 WeakPolarHBondContact CD-NE2 3.28Å; R345-H369 PolarHBondContact NH1-ND1 2.75Å; R345-H369 VanDerWaalsContact NH1-ND1 3.1Å; R345-P370 PolarHBondContact NH1-O 3.46Å; R345-P370 VanDerWaalsContact NH1-O 3.1Å |
| 346 | C | 82.9 | Confident | 88.5 | Confident | 43 Ų | 43 | 37 Ų | 37 | 29% | 0.291 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -21.2 | -176 | 71.3 | 0 | 0 | 0 | 0 | 113.5 | C343 M348 | C343-C346 WeakPolarHBondContact CB-SG 3.49Å; C343-C346 PolarHBondContact SG-SG 2.96Å; C346-M348 HydrophobicContact CB-CG 4.06Å; C346-M348 WeakPolarHBondContact O-CG 3.37Å; C346-M348 PolarHBondContact O-N 2.62Å; C346-M348 VanDerWaalsContact O-N 3.07Å |
| 347 | K | 84.5 | Confident | 88.5 | Confident | 128 Ų | 128 | 36.1 Ų | 36.1 | 56% | 0.557 | 18% | 0.182 | S | C | * | . | trans | 54.3 | 26 | -179.9 | -55.4 | -179.7 | -178.1 | 176.9 | 0 | 113.8 | C343 P344 G349 | C343-K347 VanDerWaalsContact O-CA 3.27Å; C343-K347 WeakPolarHBondContact O-CA 3.49Å; C343-K347 PolarHBondContact O-N 3.06Å; P344-K347 WeakPolarHBondContact O-CE 3.48Å; P344-K347 WeakPolarHBondContact O-CG 3.43Å; K347-G349 VanDerWaalsContact C-N 3.26Å; K347-G349 PolarHBondContact O-N 2.9Å | ||
| 348 | M | 81.9 | Confident | 88.5 | Confident | 141 Ų | 141 | 36 Ų | 36 | 70% | 0.695 | 18% | 0.181 | S | C | * | . | trans | -88.3 | 21.6 | -178.3 | -66.8 | -69.1 | 93.4 | 0 | 0 | 113.5 | C346 P352 | C346-M348 HydrophobicContact CB-CG 4.06Å; C346-M348 WeakPolarHBondContact O-CG 3.37Å; C346-M348 PolarHBondContact O-N 2.62Å; C346-M348 VanDerWaalsContact O-N 3.07Å; M348-P352 HydrophobicContact CB-CG 3.82Å | ||
| 349 | G | 85.5 | Confident | 88.6 | Confident | 24 Ų | 24 | 36 Ų | 36 | 25% | 0.247 | 17% | 0.173 | C | C | . | . | trans | 90.2 | -168.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q342 C343 K347 P352 | Q342-G349 WeakPolarHBondContact CA-O 3.33Å; C343-G349 PolarHBondContact N-O 3.22Å; K347-G349 VanDerWaalsContact C-N 3.26Å; K347-G349 PolarHBondContact O-N 2.9Å; G349-P352 WeakPolarHBondContact O-CD 3.33Å | ||
| 350 | L | 91 | Very high | 88.4 | Confident | 11 Ų | 11 | 32.4 Ų | 32.4 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -73.1 | -38.9 | -170.2 | 175.7 | 59.4 | 0 | 0 | 0 | 113.8 | L341 L353 L354 T427 | L341-L350 HydrophobicContact CB-CD1 3.66Å; L341-L350 HydrophobicContact CD1-CD1 4.49Å; L341-L350 WeakPolarHBondContact O-CA 3.45Å; L341-L350 VanDerWaalsContact O-CD1 3.22Å; L341-L350 WeakPolarHBondContact O-CD1 2.88Å; L350-L353 WeakPolarHBondContact O-CB 3.31Å; L350-L353 PolarHBondContact O-N 3.37Å; L350-L353 VanDerWaalsContact O-N 3.11Å; L350-L354 HydrophobicContact CD1-CD1 4.43Å; L350-L354 HydrophobicContact CD1-CG 4.16Å; L350-L354 HydrophobicContact CG-CD1 4.06Å; L350-L354 HydrophobicContact CG-CG 4.27Å; L350-L354 PolarHBondContact O-N 3.06Å; L350-L354 VanDerWaalsContact O-N 3.08Å; L350-T427 HydrophobicContact CB-CG2 3.99Å; L350-T427 HydrophobicContact CD2-CG2 4.08Å; L350-T427 WeakPolarHBondContact CD2-OG1 3.48Å; L350-T427 HydrophobicContact CG-CG2 3.91Å |
| 351 | W | 92.4 | Very high | 88.2 | Confident | 20 Ų | 20 | 32.6 Ų | 32.6 | 8% | 0.076 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.9 | -46.5 | -176.9 | 168.7 | -98.3 | 0 | 0 | 0 | 113 | L353 L354 E355 T427 F428 T441 K444 L445 L448 | W351-L353 PolarHBondContact O-N 3.08Å; W351-L354 HydrophobicContact CE3-CB 4.45Å; W351-L354 HydrophobicContact CE3-CD1 4.49Å; W351-L354 WeakPolarHBondContact O-CB 3.49Å; W351-L354 PolarHBondContact O-N 3.15Å; W351-E355 HydrophobicContact CD2-CB 4.47Å; W351-E355 HydrophobicContact CZ2-CB 4.09Å; W351-E355 HydrophobicContact CZ2-CG 4.26Å; W351-E355 PolarHBondContact NE1-OE2 3.39Å; W351-E355 WeakPolarHBondContact O-CB 3.37Å; W351-E355 PolarHBondContact O-N 3.26Å; W351-T427 HydrophobicContact CB-CG2 3.84Å; W351-F428 HydrophobicContact CE3-CD1 4.18Å; W351-F428 AromaticContact CE3-CE1 3.64Å; W351-F428 HydrophobicContact CE3-CE1 3.64Å; W351-F428 HydrophobicContact CE3-CZ 4.29Å; W351-F428 HydrophobicContact CZ3-CD1 4.31Å; W351-F428 AromaticContact CZ3-CE1 3.64Å; W351-F428 HydrophobicContact CZ3-CE1 3.64Å; W351-F428 HydrophobicContact CZ3-CZ 4.47Å; W351-T441 HydrophobicContact CB-CG2 4.23Å; W351-T441 HydrophobicContact CD2-CG2 3.09Å; W351-T441 VanDerWaalsContact CE2-CG2 3.43Å; W351-T441 HydrophobicContact CE3-CG2 3.29Å; W351-T441 HydrophobicContact CG-CG2 3.5Å; W351-T441 HydrophobicContact CH2-CG2 4.03Å; W351-T441 HydrophobicContact CZ2-CG2 3.89Å; W351-T441 HydrophobicContact CZ3-CG2 3.76Å; W351-K444 HydrophobicContact CH2-CB 4.24Å; W351-K444 HydrophobicContact CZ2-CB 3.69Å; W351-K444 HydrophobicContact CZ2-CD 4.14Å; W351-L445 HydrophobicContact CH2-CB 3.9Å; W351-L445 HydrophobicContact CZ3-CB 4.18Å; W351-L448 HydrophobicContact CH2-CD1 4.39Å |
| 352 | P | 90.6 | Very high | 87.9 | Confident | 20 Ų | 20 | 33.2 Ų | 33.2 | 13% | 0.13 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.8 | -32.8 | 174.7 | -29.6 | 36.7 | 0 | 0 | 0 | 114.5 | C343 M348 G349 T356 | C343-P352 HydrophobicContact CB-CB 4.2Å; M348-P352 HydrophobicContact CB-CG 3.82Å; G349-P352 WeakPolarHBondContact O-CD 3.33Å; P352-T356 VanDerWaalsContact O-CB 3.22Å; P352-T356 WeakPolarHBondContact O-CB 3.39Å; P352-T356 PolarHBondContact O-N 3.46Å; P352-T356 PolarHBondContact O-OG1 3.24Å |
| 353 | L | 90.6 | Very high | 87.4 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.1 | -46 | 173.9 | -179.4 | 66 | 0 | 0 | 0 | 110.9 | L341 C343 L350 W351 T356 A357 M386 | L341-L353 HydrophobicContact CB-CD2 4.35Å; L341-L353 VanDerWaalsContact O-CD2 3.26Å; L341-L353 WeakPolarHBondContact O-CD2 3.49Å; C343-L353 HydrophobicContact CB-CB 4.49Å; L350-L353 WeakPolarHBondContact O-CB 3.31Å; L350-L353 PolarHBondContact O-N 3.37Å; L350-L353 VanDerWaalsContact O-N 3.11Å; W351-L353 PolarHBondContact O-N 3.08Å; L353-T356 PolarHBondContact O-N 3.22Å; L353-A357 WeakPolarHBondContact O-CB 3.48Å; L353-A357 PolarHBondContact O-N 3.44Å; L353-M386 HydrophobicContact CD2-CE 4.26Å |
| 354 | L | 92.9 | Very high | 86.6 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.6 | -49.5 | 175.7 | -65.3 | 174 | 0 | 0 | 0 | 111.7 | L350 W351 T356 A357 I358 L387 C390 T427 F428 | L350-L354 HydrophobicContact CD1-CD1 4.43Å; L350-L354 HydrophobicContact CD1-CG 4.16Å; L350-L354 HydrophobicContact CG-CD1 4.06Å; L350-L354 HydrophobicContact CG-CG 4.27Å; L350-L354 PolarHBondContact O-N 3.06Å; L350-L354 VanDerWaalsContact O-N 3.08Å; W351-L354 HydrophobicContact CE3-CB 4.45Å; W351-L354 HydrophobicContact CE3-CD1 4.49Å; W351-L354 WeakPolarHBondContact O-CB 3.49Å; W351-L354 PolarHBondContact O-N 3.15Å; L354-T356 VanDerWaalsContact C-N 3.28Å; L354-T356 PolarHBondContact O-N 2.76Å; L354-A357 WeakPolarHBondContact O-CB 3.43Å; L354-A357 PolarHBondContact O-N 2.55Å; L354-I358 WeakPolarHBondContact O-CD1 3.34Å; L354-I358 WeakPolarHBondContact O-CG1 3.27Å; L354-I358 PolarHBondContact O-N 3.3Å; L354-L387 HydrophobicContact CD2-CD2 3.72Å; L354-C390 HydrophobicContact CD2-CB 3.65Å; L354-T427 HydrophobicContact CD1-CG2 4.2Å; L354-F428 HydrophobicContact CD1-CZ 4.01Å |
| 355 | E | 91.7 | Very high | 85.6 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.3 | -41.5 | 179.2 | -176.9 | 174.2 | -164.3 | 0 | 0 | 111 | W351 R359 K444 L448 | W351-E355 HydrophobicContact CD2-CB 4.47Å; W351-E355 HydrophobicContact CZ2-CB 4.09Å; W351-E355 HydrophobicContact CZ2-CG 4.26Å; W351-E355 PolarHBondContact NE1-OE2 3.39Å; W351-E355 WeakPolarHBondContact O-CB 3.37Å; W351-E355 PolarHBondContact O-N 3.26Å; E355-R359 WeakPolarHBondContact O-CB 3.48Å; E355-R359 WeakPolarHBondContact O-CG 3.41Å; E355-R359 PolarHBondContact O-N 3.47Å; E355-R359 IonicContact OE1-CZ 3.19Å; E355-R359 IonicContact OE1-NH1 3.63Å; E355-R359 PolarHBondContact OE1-NH1 3.05Å; E355-R359 IonicContact OE1-NH2 3.53Å; E355-R359 PolarHBondContact OE1-NH2 3.14Å; E355-K444 IonicContact OE1-NZ 3.99Å; E355-K444 PolarHBondContact OE1-NZ 2.88Å; E355-K444 VanDerWaalsContact OE1-NZ 3.17Å; E355-K444 IonicContact OE2-NZ 3.64Å; E355-L448 HydrophobicContact CG-CD1 4.48Å |
| 356 | T | 89.4 | Confident | 85.1 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.1 | -46 | 175.5 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | P352 L353 L354 I358 R359 Y360 T367 C368 H371 | P352-T356 VanDerWaalsContact O-CB 3.22Å; P352-T356 WeakPolarHBondContact O-CB 3.39Å; P352-T356 PolarHBondContact O-N 3.46Å; P352-T356 PolarHBondContact O-OG1 3.24Å; L353-T356 PolarHBondContact O-N 3.22Å; L354-T356 VanDerWaalsContact C-N 3.28Å; L354-T356 PolarHBondContact O-N 2.76Å; T356-I358 VanDerWaalsContact C-N 3.34Å; T356-I358 PolarHBondContact O-N 3.44Å; T356-R359 PolarHBondContact O-N 3.36Å; T356-Y360 VanDerWaalsContact O-CB 3.27Å; T356-Y360 WeakPolarHBondContact O-CB 3.45Å; T356-Y360 PolarHBondContact O-N 3.01Å; T356-T367 HydrophobicContact CG2-CG2 4.02Å; T356-C368 PolarHBondContact OG1-SG 3.24Å; T356-H371 WeakPolarHBondContact CG2-NE2 3.46Å |
| 357 | A | 90.4 | Very high | 84.8 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.4 | -46.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L353 L354 C361 Y383 L387 | L353-A357 WeakPolarHBondContact O-CB 3.48Å; L353-A357 PolarHBondContact O-N 3.44Å; L354-A357 WeakPolarHBondContact O-CB 3.43Å; L354-A357 PolarHBondContact O-N 2.55Å; A357-C361 PolarHBondContact O-N 3.32Å; A357-C361 VanDerWaalsContact O-N 3.12Å; A357-C361 PolarHBondContact O-SG 2.92Å; A357-Y383 VanDerWaalsContact CA-CD1 3.48Å; A357-Y383 HydrophobicContact CB-CD1 3.35Å; A357-Y383 HydrophobicContact CB-CE1 4.09Å; A357-Y383 HydrophobicContact CB-CG 3.86Å; A357-L387 HydrophobicContact CB-CD1 4.28Å; A357-L387 HydrophobicContact CB-CD2 4.04Å; A357-L387 HydrophobicContact CB-CG 3.99Å |
| 358 | I | 91.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64 | -51.1 | -180 | -62.1 | 162.3 | 0 | 0 | 0 | 110.6 | L354 T356 Y360 C361 L362 L387 L448 L468 L472 | L354-I358 WeakPolarHBondContact O-CD1 3.34Å; L354-I358 WeakPolarHBondContact O-CG1 3.27Å; L354-I358 PolarHBondContact O-N 3.3Å; T356-I358 VanDerWaalsContact C-N 3.34Å; T356-I358 PolarHBondContact O-N 3.44Å; I358-Y360 VanDerWaalsContact C-N 3.31Å; I358-Y360 PolarHBondContact O-N 3.28Å; I358-C361 WeakPolarHBondContact O-CB 3.43Å; I358-C361 PolarHBondContact O-N 2.89Å; I358-L362 HydrophobicContact CG2-CD1 3.93Å; I358-L362 HydrophobicContact CG2-CG 4.42Å; I358-L362 WeakPolarHBondContact O-CG 3.3Å; I358-L362 PolarHBondContact O-N 3.19Å; I358-L387 HydrophobicContact CD1-CD2 4.33Å; I358-L387 HydrophobicContact CG1-CD1 4.02Å; I358-L387 HydrophobicContact CG1-CD2 3.81Å; I358-L448 HydrophobicContact CB-CD1 4.34Å; I358-L448 HydrophobicContact CD1-CD1 4.19Å; I358-L448 HydrophobicContact CG2-CB 3.94Å; I358-L448 HydrophobicContact CG2-CD1 4.06Å; I358-L448 HydrophobicContact CG2-CD2 4.22Å; I358-L448 HydrophobicContact CG2-CG 4.3Å; I358-L468 HydrophobicContact CG2-CD2 4.48Å; I358-L472 HydrophobicContact CD1-CD2 3.43Å; I358-L472 VanDerWaalsContact CD1-CD2 3.43Å; I358-L472 HydrophobicContact CG1-CD2 3.81Å; I358-L472 HydrophobicContact CG2-CD1 4Å |
| 359 | R | 89.6 | Confident | 84.2 | Confident | 42 Ų | 42 | 31.7 Ų | 31.7 | 16% | 0.158 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.2 | -37.7 | -178.8 | -77.5 | -169.3 | -176.5 | 117.3 | 18.8 | 113.1 | E355 T356 C361 L362 T363 N364 D366 T367 L448 | E355-R359 WeakPolarHBondContact O-CB 3.48Å; E355-R359 WeakPolarHBondContact O-CG 3.41Å; E355-R359 PolarHBondContact O-N 3.47Å; E355-R359 IonicContact OE1-CZ 3.19Å; E355-R359 IonicContact OE1-NH1 3.63Å; E355-R359 PolarHBondContact OE1-NH1 3.05Å; E355-R359 IonicContact OE1-NH2 3.53Å; E355-R359 PolarHBondContact OE1-NH2 3.14Å; T356-R359 PolarHBondContact O-N 3.36Å; R359-C361 VanDerWaalsContact C-N 3.34Å; R359-L362 CarbonylContact O-C 3.57Å; R359-L362 PolarHBondContact O-N 3.16Å; R359-L362 VanDerWaalsContact O-N 3.14Å; R359-T363 PolarHBondContact O-N 3.43Å; R359-N364 HydrophobicContact CB-CB 4.21Å; R359-N364 HydrophobicContact CG-CB 4.41Å; R359-N364 PolarHBondContact O-N 2.88Å; R359-D366 WeakPolarHBondContact CD-O 3.4Å; R359-D366 PolarHBondContact NE-O 3.16Å; R359-D366 PolarHBondContact NH1-O 3.1Å; R359-T367 HydrophobicContact CB-CG2 4.17Å; R359-L448 HydrophobicContact CG-CD2 3.79Å |
| 360 | Y | 87.9 | Confident | 83.7 | Confident | 14 Ų | 14 | 36 Ų | 36 | 6% | 0.055 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -42.7 | 175.5 | -171.8 | -87.6 | 0 | 0 | 0 | 111.4 | T356 I358 L362 T363 H371 A375 L376 L379 V380 Y383 | T356-Y360 VanDerWaalsContact O-CB 3.27Å; T356-Y360 WeakPolarHBondContact O-CB 3.45Å; T356-Y360 PolarHBondContact O-N 3.01Å; I358-Y360 VanDerWaalsContact C-N 3.31Å; I358-Y360 PolarHBondContact O-N 3.28Å; Y360-L362 VanDerWaalsContact C-N 3.27Å; Y360-L362 PolarHBondContact O-N 3.43Å; Y360-T363 PolarHBondContact O-N 3.23Å; Y360-T363 VanDerWaalsContact O-N 3.12Å; Y360-H371 HydrophobicContact CD2-CB 3.99Å; Y360-H371 HydrophobicContact CE2-CB 3.96Å; Y360-A375 HydrophobicContact CE1-CB 4.31Å; Y360-L376 PolarHBondContact OH-N 3.16Å; Y360-L379 HydrophobicContact CD1-CG 4.44Å; Y360-L379 HydrophobicContact CE1-CB 3.93Å; Y360-L379 HydrophobicContact CE1-CD2 4.06Å; Y360-L379 HydrophobicContact CE1-CG 3.72Å; Y360-L379 HydrophobicContact CE2-CD2 4.06Å; Y360-L379 WeakPolarHBondContact OH-CD2 3.48Å; Y360-V380 HydrophobicContact CD1-CG2 4.13Å; Y360-V380 HydrophobicContact CE1-CG2 3.75Å; Y360-Y383 AromaticContact CD1-CD2 3.4Å; Y360-Y383 HydrophobicContact CD1-CD2 3.4Å; Y360-Y383 VanDerWaalsContact CD1-CD2 3.4Å; Y360-Y383 AromaticContact CD1-CE2 3.6Å; Y360-Y383 HydrophobicContact CD1-CE2 3.6Å; Y360-Y383 HydrophobicContact CD2-CE2 4.17Å; Y360-Y383 HydrophobicContact CE1-CD2 4.09Å; Y360-Y383 HydrophobicContact CE1-CE2 4.17Å; Y360-Y383 AromaticContact CG-CD2 3.79Å; Y360-Y383 HydrophobicContact CG-CD2 3.79Å; Y360-Y383 AromaticContact CG-CE2 3.59Å; Y360-Y383 HydrophobicContact CG-CE2 3.59Å |
| 361 | C | 87.9 | Confident | 82.9 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.6 | -30.8 | 173.1 | -65.5 | 0 | 0 | 0 | 0 | 113 | A357 I358 R359 T363 C384 L468 | A357-C361 PolarHBondContact O-N 3.32Å; A357-C361 VanDerWaalsContact O-N 3.12Å; A357-C361 PolarHBondContact O-SG 2.92Å; I358-C361 WeakPolarHBondContact O-CB 3.43Å; I358-C361 PolarHBondContact O-N 2.89Å; R359-C361 VanDerWaalsContact C-N 3.34Å; C361-T363 PolarHBondContact O-N 3.07Å; C361-C384 VanDerWaalsContact SG-SG 3.68Å; C361-L468 HydrophobicContact CB-CD2 3.8Å |
| 362 | L | 85.9 | Confident | 81.9 | Confident | 16 Ų | 16 | 38.1 Ų | 38.1 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 5 | 174.7 | -64.6 | 174.4 | 0 | 0 | 0 | 113.9 | I358 R359 Y360 N364 L448 E451 A452 M455 L468 | I358-L362 HydrophobicContact CG2-CD1 3.93Å; I358-L362 HydrophobicContact CG2-CG 4.42Å; I358-L362 WeakPolarHBondContact O-CG 3.3Å; I358-L362 PolarHBondContact O-N 3.19Å; R359-L362 CarbonylContact O-C 3.57Å; R359-L362 PolarHBondContact O-N 3.16Å; R359-L362 VanDerWaalsContact O-N 3.14Å; Y360-L362 VanDerWaalsContact C-N 3.27Å; Y360-L362 PolarHBondContact O-N 3.43Å; L362-N364 HydrophobicContact CB-CB 4.43Å; L362-N364 PolarHBondContact O-N 3.46Å; L362-N364 VanDerWaalsContact O-N 3.13Å; L362-L448 HydrophobicContact CD1-CD2 4.06Å; L362-E451 HydrophobicContact CD1-CB 3.99Å; L362-A452 HydrophobicContact CD2-CB 3.87Å; L362-M455 HydrophobicContact CD2-CB 4.47Å; L362-M455 HydrophobicContact CD2-CE 3.97Å; L362-M455 HydrophobicContact CD2-SD 3.75Å; L362-L468 HydrophobicContact CD2-CD2 3.72Å; L362-L468 HydrophobicContact CG-CD2 3.97Å |
| 363 | T | 78.1 | Confident | 80.8 | Confident | 112 Ų | 112 | 39.9 Ų | 39.9 | 69% | 0.687 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 18.9 | -172.8 | 69.4 | 0 | 0 | 0 | 0 | 114.6 | R359 Y360 C361 A375 | R359-T363 PolarHBondContact O-N 3.43Å; Y360-T363 PolarHBondContact O-N 3.23Å; Y360-T363 VanDerWaalsContact O-N 3.12Å; C361-T363 PolarHBondContact O-N 3.07Å; T363-A375 HydrophobicContact CG2-CB 3.97Å |
| 364 | N | 69.9 | Low | 79.7 | Confident | 48 Ų | 48 | 45.2 Ų | 45.2 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | trans | -84.5 | 131.6 | -177.9 | -171.2 | -19.8 | 0 | 0 | 0 | 111 | R359 L362 D366 | R359-N364 HydrophobicContact CB-CB 4.21Å; R359-N364 HydrophobicContact CG-CB 4.41Å; R359-N364 PolarHBondContact O-N 2.88Å; L362-N364 HydrophobicContact CB-CB 4.43Å; L362-N364 PolarHBondContact O-N 3.46Å; L362-N364 VanDerWaalsContact O-N 3.13Å; N364-D366 VanDerWaalsContact C-N 3.29Å; N364-D366 PolarHBondContact O-N 3.41Å; N364-D366 PolarHBondContact OD1-N 2.91Å; N364-D366 VanDerWaalsContact OD1-N 3.13Å | ||
| 365 | S | 61.4 | Low | 78.6 | Confident | 100 Ų | 100 | 46.8 Ų | 46.8 | 70% | 0.699 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -71.5 | -17.9 | -177.3 | 53.2 | 0 | 0 | 0 | 0 | 114.5 | T367 | S365-T367 PolarHBondContact O-N 3.17Å; S365-T367 PolarHBondContact O-OG1 3.14Å |
| 366 | D | 70.3 | Confident | 78.2 | Confident | 106 Ų | 106 | 49 Ų | 49 | 57% | 0.567 | 31% | 0.307 | S | S | * | . | trans | -82.9 | 57.5 | -169.1 | -67.9 | -8.3 | 0 | 0 | 0 | 113.3 | R359 N364 | R359-D366 WeakPolarHBondContact CD-O 3.4Å; R359-D366 PolarHBondContact NE-O 3.16Å; R359-D366 PolarHBondContact NH1-O 3.1Å; N364-D366 VanDerWaalsContact C-N 3.29Å; N364-D366 PolarHBondContact O-N 3.41Å; N364-D366 PolarHBondContact OD1-N 2.91Å; N364-D366 VanDerWaalsContact OD1-N 3.13Å | ||
| 367 | T | 76.8 | Confident | 77.9 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 16% | 0.16 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -88.3 | 163.6 | 174.2 | 50.6 | 0 | 0 | 0 | 0 | 110.9 | T356 R359 S365 H369 | T356-T367 HydrophobicContact CG2-CG2 4.02Å; R359-T367 HydrophobicContact CB-CG2 4.17Å; S365-T367 PolarHBondContact O-N 3.17Å; S365-T367 PolarHBondContact O-OG1 3.14Å; T367-H369 PolarHBondContact O-N 3.11Å; T367-H369 VanDerWaalsContact O-N 3.09Å; T367-H369 PolarHBondContact OG1-O 3.25Å |
| 368 | C | 74.1 | Confident | 77.6 | Confident | 59 Ų | 59 | 54.8 Ų | 54.8 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -64.1 | -16.1 | -178.8 | 64.3 | 0 | 0 | 0 | 0 | 113.7 | T356 | T356-C368 PolarHBondContact OG1-SG 3.24Š|
| 369 | H | 78.9 | Confident | 77.4 | Confident | 26 Ų | 26 | 54.9 Ų | 54.9 | 12% | 0.12 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -158.9 | 159.8 | 172 | 55.7 | 70.4 | 0 | 0 | 0 | 110.4 | R345 T367 H371 | R345-H369 VanDerWaalsContact CB-CD2 3.47Å; R345-H369 WeakPolarHBondContact CB-CD2 3.47Å; R345-H369 WeakPolarHBondContact CD-CD2 3.45Å; R345-H369 WeakPolarHBondContact CD-CE1 3.23Å; R345-H369 VanDerWaalsContact CD-CG 3.46Å; R345-H369 WeakPolarHBondContact CD-ND1 3.33Å; R345-H369 WeakPolarHBondContact CD-NE2 3.28Å; R345-H369 PolarHBondContact NH1-ND1 2.75Å; R345-H369 VanDerWaalsContact NH1-ND1 3.1Å; T367-H369 PolarHBondContact O-N 3.11Å; T367-H369 VanDerWaalsContact O-N 3.09Å; T367-H369 PolarHBondContact OG1-O 3.25Å; H369-H371 AromaticContact CE1-CD2 3.8Å; H369-H371 AromaticContact CE1-CE1 3.21Å; H369-H371 PolarHBondContact CE1-CE1 2.98Å; H369-H371 AromaticContact CE1-NE2 2.97Å; H369-H371 PolarHBondContact CE1-NE2 3.21Å; H369-H371 AromaticContact ND1-CD2 3.72Å; H369-H371 AromaticContact ND1-CE1 3.86Å; H369-H371 AromaticContact ND1-NE2 3.36Å; H369-H371 PolarHBondContact ND1-NE2 2.78Å; H369-H371 AromaticContact NE2-NE2 3.81Å; H369-H371 PolarHBondContact O-CD2 3.28Å; H369-H371 PolarHBondContact O-N 3.39Å |
| 370 | P | 75 | Confident | 77.2 | Confident | 113 Ų | 113 | 53.5 Ų | 53.5 | 73% | 0.734 | 34% | 0.344 | S | S | * | . | trans | -56.9 | 137.8 | 177.9 | -23.3 | 33.2 | 0 | 0 | 0 | 112.9 | R345 | R345-P370 PolarHBondContact NH1-O 3.46Å; R345-P370 VanDerWaalsContact NH1-O 3.1Å | ||
| 371 | H | 76.1 | Confident | 77.2 | Confident | 36 Ų | 36 | 57.1 Ų | 57.1 | 17% | 0.167 | 36% | 0.361 | C | S | . | . | trans | -115.6 | 161.3 | 176.4 | -82.5 | -83.9 | 0 | 0 | 0 | 111.7 | T356 Y360 H369 G373 Y383 | T356-H371 WeakPolarHBondContact CG2-NE2 3.46Å; Y360-H371 HydrophobicContact CD2-CB 3.99Å; Y360-H371 HydrophobicContact CE2-CB 3.96Å; H369-H371 AromaticContact CE1-CD2 3.8Å; H369-H371 AromaticContact CE1-CE1 3.21Å; H369-H371 PolarHBondContact CE1-CE1 2.98Å; H369-H371 AromaticContact CE1-NE2 2.97Å; H369-H371 PolarHBondContact CE1-NE2 3.21Å; H369-H371 AromaticContact ND1-CD2 3.72Å; H369-H371 AromaticContact ND1-CE1 3.86Å; H369-H371 AromaticContact ND1-NE2 3.36Å; H369-H371 PolarHBondContact ND1-NE2 2.78Å; H369-H371 AromaticContact NE2-NE2 3.81Å; H369-H371 PolarHBondContact O-CD2 3.28Å; H369-H371 PolarHBondContact O-N 3.39Å; H371-G373 PolarHBondContact O-N 3.42Å; H371-Y383 PolarHBondContact CE1-OH 2.56Å; H371-Y383 PolarHBondContact ND1-OH 2.68Å | ||
| 372 | P | 70.4 | Confident | 77.3 | Confident | 40 Ų | 40 | 57 Ų | 57 | 26% | 0.26 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -67.1 | 125.4 | -176.4 | -10.7 | 24 | 0 | 0 | 0 | 112.2 | Q301 Q302 L376 L379 | Q301-P372 WeakPolarHBondContact O-CG 3.48Å; Q302-P372 WeakPolarHBondContact O-CG 3.47Å; P372-L376 HydrophobicContact CB-CD1 4.37Å; P372-L379 HydrophobicContact CG-CD2 4.41Å |
| 373 | G | 66.6 | Low | 77.5 | Confident | 58 Ų | 58 | 56.3 Ų | 56.3 | 60% | 0.598 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 53.7 | -176.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | H371 | H371-G373 PolarHBondContact O-N 3.42Š|
| 374 | P | 68.6 | Low | 78.1 | Confident | 118 Ų | 118 | 52.5 Ų | 52.5 | 77% | 0.766 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -58.4 | 156 | 163.2 | 28.1 | -33.8 | 0 | 0 | 0 | 109.7 | L376 | P374-L376 PolarHBondContact O-N 3.24Š|
| 375 | A | 70.6 | Confident | 79.1 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | trans | -51.7 | 97.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y360 T363 V380 | Y360-A375 HydrophobicContact CE1-CB 4.31Å; T363-A375 HydrophobicContact CG2-CB 3.97Å; A375-V380 HydrophobicContact CB-CG2 3.78Å | ||
| 376 | L | 82.1 | Confident | 80.5 | Confident | 68 Ų | 68 | 48.4 Ų | 48.4 | 36% | 0.356 | 30% | 0.304 | S | S | . | . | trans | -64 | 125.5 | 177.4 | -68.4 | 168.1 | 0 | 0 | 0 | 109.8 | Y360 P372 P374 A378 L379 V380 | Y360-L376 PolarHBondContact OH-N 3.16Å; P372-L376 HydrophobicContact CB-CD1 4.37Å; P374-L376 PolarHBondContact O-N 3.24Å; L376-A378 VanDerWaalsContact C-N 3.3Å; L376-A378 PolarHBondContact O-N 3.45Å; L376-L379 HydrophobicContact CB-CB 4.12Å; L376-L379 PolarHBondContact O-N 2.87Å; L376-V380 WeakPolarHBondContact O-CG2 3.19Å; L376-V380 PolarHBondContact O-N 3.36Å | ||
| 377 | P | 83.9 | Confident | 81.7 | Confident | 92 Ų | 92 | 43.7 Ų | 43.7 | 60% | 0.597 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -53.7 | -42.9 | -175.8 | -29.5 | 34.9 | 0 | 0 | 0 | 113.8 | L379 V380 H381 | P377-L379 VanDerWaalsContact C-N 3.31Å; P377-L379 PolarHBondContact O-N 2.89Å; P377-V380 PolarHBondContact O-N 3.2Å; P377-H381 PolarHBondContact O-CD2 2.89Å; P377-H381 PolarHBondContact O-N 2.99Å |
| 378 | A | 84.6 | Confident | 82.4 | Confident | 35 Ų | 35 | 44.4 Ų | 44.4 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.8 | -39 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L310 L376 F382 | L310-A378 HydrophobicContact CD1-CB 4.01Å; L310-A378 WeakPolarHBondContact CD1-O 3.42Å; L376-A378 VanDerWaalsContact C-N 3.3Å; L376-A378 PolarHBondContact O-N 3.45Å; A378-F382 WeakPolarHBondContact O-CB 3.33Å; A378-F382 PolarHBondContact O-N 2.83Å |
| 379 | L | 86 | Confident | 83.3 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -76.6 | -32.6 | 179.3 | -172.2 | 52.8 | 0 | 0 | 0 | 111.7 | Y360 P372 L376 P377 F382 Y383 | Y360-L379 HydrophobicContact CD1-CG 4.44Å; Y360-L379 HydrophobicContact CE1-CB 3.93Å; Y360-L379 HydrophobicContact CE1-CD2 4.06Å; Y360-L379 HydrophobicContact CE1-CG 3.72Å; Y360-L379 HydrophobicContact CE2-CD2 4.06Å; Y360-L379 WeakPolarHBondContact OH-CD2 3.48Å; P372-L379 HydrophobicContact CG-CD2 4.41Å; L376-L379 HydrophobicContact CB-CB 4.12Å; L376-L379 PolarHBondContact O-N 2.87Å; P377-L379 VanDerWaalsContact C-N 3.31Å; P377-L379 PolarHBondContact O-N 2.89Å; L379-F382 HydrophobicContact CD1-CB 4.4Å; L379-F382 HydrophobicContact CD1-CD1 3.74Å; L379-F382 HydrophobicContact CD1-CG 4.42Å; L379-F382 PolarHBondContact O-N 3.09Å; L379-Y383 HydrophobicContact CD1-CD2 4.12Å; L379-Y383 HydrophobicContact CD1-CE2 3.76Å; L379-Y383 HydrophobicContact CD2-CE2 4.24Å; L379-Y383 HydrophobicContact CG-CD2 4.02Å; L379-Y383 HydrophobicContact CG-CE2 3.7Å; L379-Y383 WeakPolarHBondContact O-CD2 3.41Å; L379-Y383 PolarHBondContact O-N 3.35Å |
| 380 | V | 87.1 | Confident | 84 | Confident | 13 Ų | 13 | 40.7 Ų | 40.7 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 170.9 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | Y360 A375 L376 P377 F382 Y383 C384 L466 | Y360-V380 HydrophobicContact CD1-CG2 4.13Å; Y360-V380 HydrophobicContact CE1-CG2 3.75Å; A375-V380 HydrophobicContact CB-CG2 3.78Å; L376-V380 WeakPolarHBondContact O-CG2 3.19Å; L376-V380 PolarHBondContact O-N 3.36Å; P377-V380 PolarHBondContact O-N 3.2Å; V380-F382 VanDerWaalsContact C-N 3.35Å; V380-F382 PolarHBondContact O-N 3.37Å; V380-Y383 PolarHBondContact O-N 2.93Å; V380-C384 PolarHBondContact O-N 3.22Å; V380-C384 PolarHBondContact O-SG 3.31Å; V380-L466 HydrophobicContact CG1-CD1 3.69Å; V380-L466 HydrophobicContact CG1-CD2 3.58Å; V380-L466 HydrophobicContact CG1-CG 4.23Å |
| 381 | H | 87.5 | Confident | 84.9 | Confident | 89 Ų | 89 | 36 Ų | 36 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.6 | -42.8 | 175.1 | -71.5 | -61.3 | 0 | 0 | 0 | 112.3 | P377 Y383 C384 D385 | P377-H381 PolarHBondContact O-CD2 2.89Å; P377-H381 PolarHBondContact O-N 2.99Å; H381-Y383 VanDerWaalsContact C-N 3.33Å; H381-Y383 PolarHBondContact O-N 3.06Å; H381-C384 PolarHBondContact O-N 3.2Å; H381-C384 VanDerWaalsContact O-N 3.16Å; H381-D385 PolarHBondContact O-N 3.42Å |
| 382 | F | 89.9 | Confident | 85.6 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.1 | -44.8 | 175.2 | 169.1 | -102.1 | 0 | 0 | 0 | 112.4 | A300 Q301 L310 F313 A378 L379 V380 C384 D385 M386 | A300-F382 HydrophobicContact CB-CD1 4.42Å; A300-F382 HydrophobicContact CB-CD2 4.14Å; A300-F382 HydrophobicContact CB-CE1 3.96Å; A300-F382 HydrophobicContact CB-CE2 3.64Å; A300-F382 HydrophobicContact CB-CG 4.48Å; A300-F382 HydrophobicContact CB-CZ 3.53Å; Q301-F382 HydrophobicContact CG-CE1 4.35Å; L310-F382 HydrophobicContact CD1-CB 4.28Å; L310-F382 HydrophobicContact CD2-CB 4.12Å; L310-F382 HydrophobicContact CD2-CD2 3.68Å; L310-F382 HydrophobicContact CD2-CE2 4.33Å; L310-F382 HydrophobicContact CD2-CG 4Å; F313-F382 AromaticContact CD1-CE2 3.75Å; F313-F382 HydrophobicContact CD1-CE2 3.75Å; F313-F382 AromaticContact CE1-CE2 3.8Å; F313-F382 HydrophobicContact CE1-CE2 3.8Å; F313-F382 HydrophobicContact CE1-CZ 4.36Å; A378-F382 WeakPolarHBondContact O-CB 3.33Å; A378-F382 PolarHBondContact O-N 2.83Å; L379-F382 HydrophobicContact CD1-CB 4.4Å; L379-F382 HydrophobicContact CD1-CD1 3.74Å; L379-F382 HydrophobicContact CD1-CG 4.42Å; L379-F382 PolarHBondContact O-N 3.09Å; V380-F382 VanDerWaalsContact C-N 3.35Å; V380-F382 PolarHBondContact O-N 3.37Å; F382-C384 VanDerWaalsContact C-N 3.32Å; F382-C384 PolarHBondContact O-N 2.88Å; F382-D385 PolarHBondContact O-N 2.87Å; F382-M386 HydrophobicContact CD1-CG 4.42Å; F382-M386 HydrophobicContact CD2-CG 4.3Å; F382-M386 HydrophobicContact CE1-CG 4Å; F382-M386 HydrophobicContact CE2-CG 3.86Å; F382-M386 HydrophobicContact CE2-SD 4.2Å; F382-M386 HydrophobicContact CZ-CG 3.71Å; F382-M386 HydrophobicContact CZ-SD 4.2Å; F382-M386 VanDerWaalsContact O-CG 3.31Å; F382-M386 WeakPolarHBondContact O-CG 3.47Å; F382-M386 PolarHBondContact O-N 3.05Å |
| 383 | Y | 90.7 | Very high | 86.6 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.6 | -34.8 | 177.6 | -80.1 | -54.1 | 0 | 0 | 0 | 112.8 | A357 Y360 H371 L379 V380 H381 M386 L387 | A357-Y383 VanDerWaalsContact CA-CD1 3.48Å; A357-Y383 HydrophobicContact CB-CD1 3.35Å; A357-Y383 HydrophobicContact CB-CE1 4.09Å; A357-Y383 HydrophobicContact CB-CG 3.86Å; Y360-Y383 AromaticContact CD1-CD2 3.4Å; Y360-Y383 HydrophobicContact CD1-CD2 3.4Å; Y360-Y383 VanDerWaalsContact CD1-CD2 3.4Å; Y360-Y383 AromaticContact CD1-CE2 3.6Å; Y360-Y383 HydrophobicContact CD1-CE2 3.6Å; Y360-Y383 HydrophobicContact CD2-CE2 4.17Å; Y360-Y383 HydrophobicContact CE1-CD2 4.09Å; Y360-Y383 HydrophobicContact CE1-CE2 4.17Å; Y360-Y383 AromaticContact CG-CD2 3.79Å; Y360-Y383 HydrophobicContact CG-CD2 3.79Å; Y360-Y383 AromaticContact CG-CE2 3.59Å; Y360-Y383 HydrophobicContact CG-CE2 3.59Å; H371-Y383 PolarHBondContact CE1-OH 2.56Å; H371-Y383 PolarHBondContact ND1-OH 2.68Å; L379-Y383 HydrophobicContact CD1-CD2 4.12Å; L379-Y383 HydrophobicContact CD1-CE2 3.76Å; L379-Y383 HydrophobicContact CD2-CE2 4.24Å; L379-Y383 HydrophobicContact CG-CD2 4.02Å; L379-Y383 HydrophobicContact CG-CE2 3.7Å; L379-Y383 WeakPolarHBondContact O-CD2 3.41Å; L379-Y383 PolarHBondContact O-N 3.35Å; V380-Y383 PolarHBondContact O-N 2.93Å; H381-Y383 VanDerWaalsContact C-N 3.33Å; H381-Y383 PolarHBondContact O-N 3.06Å; Y383-M386 PolarHBondContact O-N 3.44Å; Y383-L387 WeakPolarHBondContact O-CB 3.34Å; Y383-L387 VanDerWaalsContact O-CG 3.26Å; Y383-L387 WeakPolarHBondContact O-CG 3.19Å; Y383-L387 PolarHBondContact O-N 3.49Å |
| 384 | C | 89.8 | Confident | 87.9 | Confident | 32 Ų | 32 | 32.3 Ų | 32.3 | 22% | 0.216 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.7 | -43.6 | 173.8 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | C361 V380 H381 F382 M386 L387 A388 L466 | C361-C384 VanDerWaalsContact SG-SG 3.68Å; V380-C384 PolarHBondContact O-N 3.22Å; V380-C384 PolarHBondContact O-SG 3.31Å; H381-C384 PolarHBondContact O-N 3.2Å; H381-C384 VanDerWaalsContact O-N 3.16Å; F382-C384 VanDerWaalsContact C-N 3.32Å; F382-C384 PolarHBondContact O-N 2.88Å; C384-M386 VanDerWaalsContact C-N 3.3Å; C384-M386 PolarHBondContact O-N 3.04Å; C384-L387 PolarHBondContact O-N 2.99Å; C384-A388 WeakPolarHBondContact O-CB 3.42Å; C384-A388 PolarHBondContact O-N 2.89Å; C384-L466 HydrophobicContact CB-CD2 4.46Å; C384-L466 WeakPolarHBondContact SG-CD2 3.38Å |
| 385 | D | 90.8 | Very high | 89 | Confident | 52 Ų | 52 | 28.2 Ų | 28.2 | 28% | 0.278 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.2 | -42.2 | 173.3 | -80.1 | -12.1 | 0 | 0 | 0 | 111.1 | H314 H381 F382 A388 L389 | H314-D385 HydrophobicContact CB-CB 4.22Å; H314-D385 IonicContact CE1-OD1 2.66Å; H314-D385 IonicContact CG-OD2 3.81Å; H314-D385 IonicContact ND1-OD1 3.12Å; H314-D385 IonicContact ND1-OD2 3.26Å; H314-D385 PolarHBondContact ND1-OD2 3.17Å; H381-D385 PolarHBondContact O-N 3.42Å; F382-D385 PolarHBondContact O-N 2.87Å; D385-A388 PolarHBondContact O-N 3.41Å; D385-L389 WeakPolarHBondContact O-CB 3.36Å; D385-L389 PolarHBondContact O-N 3.05Å |
| 386 | M | 91.7 | Very high | 89.8 | Confident | 9 Ų | 9 | 26.5 Ų | 26.5 | 4% | 0.044 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66 | -39.1 | 175.8 | -72.7 | -60.9 | -64.1 | 0 | 0 | 112.8 | F313 L341 L353 F382 Y383 C384 L389 C390 | F313-M386 HydrophobicContact CE1-SD 3.98Å; L341-M386 HydrophobicContact CD2-CE 3.8Å; L353-M386 HydrophobicContact CD2-CE 4.26Å; F382-M386 HydrophobicContact CD1-CG 4.42Å; F382-M386 HydrophobicContact CD2-CG 4.3Å; F382-M386 HydrophobicContact CE1-CG 4Å; F382-M386 HydrophobicContact CE2-CG 3.86Å; F382-M386 HydrophobicContact CE2-SD 4.2Å; F382-M386 HydrophobicContact CZ-CG 3.71Å; F382-M386 HydrophobicContact CZ-SD 4.2Å; F382-M386 VanDerWaalsContact O-CG 3.31Å; F382-M386 WeakPolarHBondContact O-CG 3.47Å; F382-M386 PolarHBondContact O-N 3.05Å; Y383-M386 PolarHBondContact O-N 3.44Å; C384-M386 VanDerWaalsContact C-N 3.3Å; C384-M386 PolarHBondContact O-N 3.04Å; M386-L389 HydrophobicContact CE-CD2 4.38Å; M386-L389 PolarHBondContact O-N 2.98Å; M386-L389 HydrophobicContact SD-CD2 4.2Å; M386-C390 WeakPolarHBondContact O-CB 3.26Å; M386-C390 PolarHBondContact O-N 3.32Å; M386-C390 PolarHBondContact O-SG 3.28Å |
| 387 | L | 93.7 | Very high | 90.1 | Very high | 7 Ų | 7 | 23.4 Ų | 23.4 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.7 | -43.7 | 174.2 | -72.3 | 170.1 | 0 | 0 | 0 | 111.1 | L354 A357 I358 Y383 C384 C390 L391 L468 T471 | L354-L387 HydrophobicContact CD2-CD2 3.72Å; A357-L387 HydrophobicContact CB-CD1 4.28Å; A357-L387 HydrophobicContact CB-CD2 4.04Å; A357-L387 HydrophobicContact CB-CG 3.99Å; I358-L387 HydrophobicContact CD1-CD2 4.33Å; I358-L387 HydrophobicContact CG1-CD1 4.02Å; I358-L387 HydrophobicContact CG1-CD2 3.81Å; Y383-L387 WeakPolarHBondContact O-CB 3.34Å; Y383-L387 VanDerWaalsContact O-CG 3.26Å; Y383-L387 WeakPolarHBondContact O-CG 3.19Å; Y383-L387 PolarHBondContact O-N 3.49Å; C384-L387 PolarHBondContact O-N 2.99Å; L387-C390 PolarHBondContact O-N 3.48Å; L387-L391 WeakPolarHBondContact O-CB 3.34Å; L387-L391 PolarHBondContact O-N 2.88Å; L387-L468 HydrophobicContact CD1-CD1 3.65Å; L387-T471 HydrophobicContact CB-CG2 4.11Å |
| 388 | A | 91.9 | Very high | 90.3 | Very high | 42 Ų | 42 | 19 Ų | 19 | 35% | 0.347 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -62.6 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C384 D385 L391 M392 | C384-A388 WeakPolarHBondContact O-CB 3.42Å; C384-A388 PolarHBondContact O-N 2.89Å; D385-A388 PolarHBondContact O-N 3.41Å; A388-L391 PolarHBondContact O-N 3.4Å; A388-M392 PolarHBondContact O-N 3.19Å |
| 389 | L | 93.2 | Very high | 90.4 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.7 | -46.3 | 173.8 | -178.8 | 78.5 | 0 | 0 | 0 | 111.6 | M317 V318 L321 L341 D385 M386 M392 L393 | M317-L389 HydrophobicContact CB-CD1 4.04Å; M317-L389 HydrophobicContact CB-CD2 3.69Å; M317-L389 HydrophobicContact CE-CD2 3.8Å; M317-L389 HydrophobicContact CG-CD2 4.3Å; V318-L389 HydrophobicContact CG2-CD1 3.89Å; L321-L389 HydrophobicContact CB-CD1 4.46Å; L321-L389 HydrophobicContact CD1-CD1 4.33Å; L341-L389 HydrophobicContact CD2-CD2 4.3Å; D385-L389 WeakPolarHBondContact O-CB 3.36Å; D385-L389 PolarHBondContact O-N 3.05Å; M386-L389 HydrophobicContact CE-CD2 4.38Å; M386-L389 PolarHBondContact O-N 2.98Å; M386-L389 HydrophobicContact SD-CD2 4.2Å; L389-M392 WeakPolarHBondContact O-CB 2.81Å; L389-M392 PolarHBondContact O-N 3.46Å; L389-L393 PolarHBondContact O-N 3.41Å |
| 390 | C | 93.8 | Very high | 90.1 | Very high | 4 Ų | 4 | 19.3 Ų | 19.3 | 3% | 0.027 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.7 | -41.1 | 177.3 | -68.6 | 0 | 0 | 0 | 0 | 111.4 | L354 M386 L387 M392 L393 L394 | L354-C390 HydrophobicContact CD2-CB 3.65Å; M386-C390 WeakPolarHBondContact O-CB 3.26Å; M386-C390 PolarHBondContact O-N 3.32Å; M386-C390 PolarHBondContact O-SG 3.28Å; L387-C390 PolarHBondContact O-N 3.48Å; C390-M392 VanDerWaalsContact C-N 3.34Å; C390-M392 PolarHBondContact O-N 2.99Å; C390-L393 WeakPolarHBondContact O-CB 3.15Å; C390-L393 PolarHBondContact O-N 2.85Å; C390-L394 VanDerWaalsContact O-CG 3.26Å; C390-L394 WeakPolarHBondContact O-CG 3.31Å; C390-L394 PolarHBondContact O-N 3.3Å |
| 391 | L | 93.6 | Very high | 89.7 | Confident | 13 Ų | 13 | 20 Ų | 20 | 7% | 0.068 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 175 | 179.2 | 60 | 0 | 0 | 0 | 111.2 | L387 A388 L393 L394 K395 T471 D474 L475 V478 | L387-L391 WeakPolarHBondContact O-CB 3.34Å; L387-L391 PolarHBondContact O-N 2.88Å; A388-L391 PolarHBondContact O-N 3.4Å; L391-L393 VanDerWaalsContact C-N 3.32Å; L391-L393 PolarHBondContact O-N 2.93Å; L391-L394 PolarHBondContact O-N 3.44Å; L391-K395 HydrophobicContact CD1-CD 4.3Å; L391-K395 HydrophobicContact CD1-CG 4.12Å; L391-K395 HydrophobicContact CG-CD 4.05Å; L391-K395 HydrophobicContact CG-CG 4.3Å; L391-K395 WeakPolarHBondContact O-CB 3.46Å; L391-K395 VanDerWaalsContact O-CG 3.29Å; L391-K395 WeakPolarHBondContact O-CG 3.36Å; L391-K395 PolarHBondContact O-N 3.27Å; L391-T471 HydrophobicContact CD2-CG2 4.11Å; L391-D474 HydrophobicContact CD1-CB 4.08Å; L391-D474 HydrophobicContact CD2-CB 3.64Å; L391-D474 HydrophobicContact CG-CB 4.48Å; L391-L475 HydrophobicContact CD1-CB 4.28Å; L391-V478 HydrophobicContact CD1-CG2 4.28Å |
| 392 | M | 91.3 | Very high | 89.1 | Confident | 55 Ų | 55 | 16.1 Ų | 16.1 | 27% | 0.271 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -58.4 | -43.8 | 175.1 | -169.6 | -176.4 | -62.4 | 0 | 0 | 111.5 | F241 L321 A388 L389 C390 L394 K395 G396 | F241-M392 HydrophobicContact CE1-CG 4.38Å; F241-M392 HydrophobicContact CZ-CG 4.26Å; L321-M392 HydrophobicContact CD2-CB 4.38Å; L321-M392 HydrophobicContact CD2-CG 3.73Å; L321-M392 HydrophobicContact CD2-SD 3.39Å; L321-M392 WeakPolarHBondContact CD2-SD 3.37Å; A388-M392 PolarHBondContact O-N 3.19Å; L389-M392 WeakPolarHBondContact O-CB 2.81Å; L389-M392 PolarHBondContact O-N 3.46Å; C390-M392 VanDerWaalsContact C-N 3.34Å; C390-M392 PolarHBondContact O-N 2.99Å; M392-L394 PolarHBondContact O-N 3.09Å; M392-K395 PolarHBondContact O-N 3.22Å; M392-G396 PolarHBondContact O-N 2.96Å |
| 393 | L | 91.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.8 | -46.6 | 175.3 | -176.3 | 144.8 | 0 | 0 | 0 | 112.2 | L321 Y337 L341 L389 C390 L391 G396 E397 L423 | L321-L393 HydrophobicContact CD1-CB 3.67Å; L321-L393 HydrophobicContact CD1-CD1 4.03Å; L321-L393 HydrophobicContact CD1-CG 4.2Å; Y337-L393 HydrophobicContact CD1-CD1 3.97Å; Y337-L393 HydrophobicContact CD2-CD1 4.47Å; Y337-L393 HydrophobicContact CG-CD1 3.88Å; L341-L393 HydrophobicContact CD1-CD1 3.93Å; L389-L393 PolarHBondContact O-N 3.41Å; C390-L393 WeakPolarHBondContact O-CB 3.15Å; C390-L393 PolarHBondContact O-N 2.85Å; L391-L393 VanDerWaalsContact C-N 3.32Å; L391-L393 PolarHBondContact O-N 2.93Å; L393-G396 PolarHBondContact O-N 3.36Å; L393-E397 PolarHBondContact O-N 3.02Å; L393-L423 HydrophobicContact CD1-CD1 4.11Å; L393-L423 HydrophobicContact CD2-CB 4.19Å; L393-L423 HydrophobicContact CD2-CD1 3.66Å; L393-L423 HydrophobicContact CG-CD1 4.34Å |
| 394 | L | 92.8 | Very high | 86 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -74.6 | -36.6 | -177.1 | -58.7 | 170.8 | 0 | 0 | 0 | 111.6 | C390 L391 M392 G396 E397 L398 I424 F428 L475 V478 | C390-L394 VanDerWaalsContact O-CG 3.26Å; C390-L394 WeakPolarHBondContact O-CG 3.31Å; C390-L394 PolarHBondContact O-N 3.3Å; L391-L394 PolarHBondContact O-N 3.44Å; M392-L394 PolarHBondContact O-N 3.09Å; L394-G396 VanDerWaalsContact C-N 3.27Å; L394-G396 PolarHBondContact O-N 3.16Å; L394-E397 PolarHBondContact O-N 3.15Å; L394-L398 PolarHBondContact O-N 3.19Å; L394-I424 HydrophobicContact CB-CG1 4.25Å; L394-I424 HydrophobicContact CD2-CB 4.43Å; L394-I424 HydrophobicContact CD2-CG1 3.46Å; L394-I424 VanDerWaalsContact CD2-CG1 3.46Å; L394-I424 HydrophobicContact CG-CG1 4.37Å; L394-F428 HydrophobicContact CD1-CE2 4Å; L394-F428 HydrophobicContact CD1-CZ 4.46Å; L394-L475 HydrophobicContact CD1-CD1 3.27Å; L394-V478 HydrophobicContact CB-CG1 4.09Å |
| 395 | K | 91.8 | Very high | 83.8 | Confident | 33 Ų | 33 | 28.2 Ų | 28.2 | 14% | 0.143 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.1 | -41.4 | 170.1 | -74.5 | -179.8 | 172.5 | 173.9 | 0 | 110.7 | F238 F241 L391 M392 L398 H399 D474 V478 | F238-K395 HydrophobicContact CD1-CB 4.45Å; F238-K395 HydrophobicContact CD1-CD 4.05Å; F238-K395 HydrophobicContact CD1-CG 4.35Å; F238-K395 HydrophobicContact CD2-CB 4Å; F238-K395 HydrophobicContact CD2-CG 4.41Å; F238-K395 HydrophobicContact CE1-CB 4.34Å; F238-K395 HydrophobicContact CE1-CD 3.6Å; F238-K395 HydrophobicContact CE1-CG 3.81Å; F238-K395 HydrophobicContact CE2-CB 3.86Å; F238-K395 HydrophobicContact CE2-CG 3.87Å; F238-K395 HydrophobicContact CG-CB 4.31Å; F238-K395 HydrophobicContact CZ-CB 4.05Å; F238-K395 HydrophobicContact CZ-CD 3.9Å; F238-K395 HydrophobicContact CZ-CG 3.55Å; F241-K395 HydrophobicContact CE2-CB 3.89Å; F241-K395 HydrophobicContact CZ-CB 4.11Å; L391-K395 HydrophobicContact CD1-CD 4.3Å; L391-K395 HydrophobicContact CD1-CG 4.12Å; L391-K395 HydrophobicContact CG-CD 4.05Å; L391-K395 HydrophobicContact CG-CG 4.3Å; L391-K395 WeakPolarHBondContact O-CB 3.46Å; L391-K395 VanDerWaalsContact O-CG 3.29Å; L391-K395 WeakPolarHBondContact O-CG 3.36Å; L391-K395 PolarHBondContact O-N 3.27Å; M392-K395 PolarHBondContact O-N 3.22Å; K395-L398 PolarHBondContact O-N 2.89Å; K395-H399 WeakPolarHBondContact O-CB 2.97Å; K395-H399 PolarHBondContact O-N 3.09Å; K395-D474 IonicContact NZ-OD2 3.35Å; K395-D474 PolarHBondContact NZ-OD2 3.13Å; K395-V478 HydrophobicContact CG-CG2 3.67Å |
| 396 | G | 88.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | W327 M392 L393 L394 L398 H399 S400 | W327-G396 VanDerWaalsContact CB-C 3.46Å; W327-G396 VanDerWaalsContact CB-O 3.25Å; W327-G396 WeakPolarHBondContact CB-O 3.42Å; W327-G396 VanDerWaalsContact CD2-CA 3.48Å; W327-G396 VanDerWaalsContact CG-C 3.43Å; W327-G396 VanDerWaalsContact CG-O 3.28Å; M392-G396 PolarHBondContact O-N 2.96Å; L393-G396 PolarHBondContact O-N 3.36Å; L394-G396 VanDerWaalsContact C-N 3.27Å; L394-G396 PolarHBondContact O-N 3.16Å; G396-L398 PolarHBondContact O-N 3.37Å; G396-H399 WeakPolarHBondContact O-CB 3.36Å; G396-H399 PolarHBondContact O-N 2.76Å; G396-S400 PolarHBondContact O-N 2.85Å |
| 397 | E | 87.6 | Confident | 78.4 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.009 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.1 | -46.1 | 173.6 | -78.1 | -139.7 | 137.1 | 0 | 0 | 111.6 | K334 L393 L394 H399 S400 V401 S422 L423 I424 | K334-E397 IonicContact NZ-OE1 2.62Å; K334-E397 PolarHBondContact NZ-OE1 3Å; L393-E397 PolarHBondContact O-N 3.02Å; L394-E397 PolarHBondContact O-N 3.15Å; E397-H399 PolarHBondContact O-N 2.92Å; E397-S400 PolarHBondContact O-N 3.34Å; E397-S400 PolarHBondContact O-OG 2.67Å; E397-V401 PolarHBondContact O-N 2.94Å; E397-S422 PolarHBondContact OE2-OG 3.27Å; E397-L423 PolarHBondContact OE1-N 3.24Å; E397-L423 PolarHBondContact OE2-N 2.9Å; E397-I424 HydrophobicContact CB-CD1 3.76Å; E397-I424 HydrophobicContact CB-CG1 4.32Å; E397-I424 PolarHBondContact OE2-N 3.4Å; E397-I424 VanDerWaalsContact OE2-N 3.08Å |
| 398 | L | 88.2 | Confident | 75.6 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 175.4 | 177 | 56.1 | 0 | 0 | 0 | 111.8 | L236 F238 L394 K395 G396 S400 V401 N402 V478 E481 F482 | L236-L398 HydrophobicContact CB-CD2 4.25Å; L236-L398 HydrophobicContact CD1-CD2 4.16Å; F238-L398 HydrophobicContact CE2-CD2 4.05Å; F238-L398 HydrophobicContact CE2-CG 4.46Å; L394-L398 PolarHBondContact O-N 3.19Å; K395-L398 PolarHBondContact O-N 2.89Å; G396-L398 PolarHBondContact O-N 3.37Å; L398-S400 VanDerWaalsContact C-N 3.3Å; L398-S400 PolarHBondContact O-N 3Å; L398-V401 WeakPolarHBondContact O-CB 3.48Å; L398-V401 PolarHBondContact O-N 3.13Å; L398-V401 VanDerWaalsContact O-N 3.08Å; L398-N402 PolarHBondContact O-N 3.46Å; L398-V478 HydrophobicContact CB-CG1 4.12Å; L398-V478 HydrophobicContact CD2-CB 4.3Å; L398-V478 HydrophobicContact CD2-CG1 4.01Å; L398-V478 HydrophobicContact CD2-CG2 4.35Å; L398-E481 HydrophobicContact CD1-CG 4.22Å; L398-E481 HydrophobicContact CD2-CB 3.87Å; L398-E481 HydrophobicContact CD2-CG 3.98Å; L398-F482 HydrophobicContact CD1-CB 4.01Å; L398-F482 HydrophobicContact CD1-CD2 4.45Å |
| 399 | H | 85.8 | Confident | 72.8 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 9% | 0.093 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.4 | -42.5 | 174.2 | 179.1 | 93.1 | 0 | 0 | 0 | 111.4 | F238 F241 K395 G396 E397 V401 N402 S403 | F238-H399 PolarHBondContact O-CE1 3.11Å; F238-H399 PolarHBondContact O-ND1 3.37Å; F241-H399 HydrophobicContact CB-CB 4.33Å; F241-H399 HydrophobicContact CD2-CB 3.72Å; F241-H399 AromaticContact CD2-CG 3.86Å; F241-H399 HydrophobicContact CE2-CB 4.46Å; F241-H399 HydrophobicContact CG-CB 4.31Å; K395-H399 WeakPolarHBondContact O-CB 2.97Å; K395-H399 PolarHBondContact O-N 3.09Å; G396-H399 WeakPolarHBondContact O-CB 3.36Å; G396-H399 PolarHBondContact O-N 2.76Å; E397-H399 PolarHBondContact O-N 2.92Å; H399-V401 VanDerWaalsContact C-N 3.25Å; H399-V401 PolarHBondContact O-N 3.33Å; H399-N402 PolarHBondContact O-N 2.9Å; H399-N402 VanDerWaalsContact O-N 3.16Å; H399-S403 PolarHBondContact CD2-OG 3.47Å; H399-S403 VanDerWaalsContact CD2-OG 3.29Å; H399-S403 PolarHBondContact CE1-OG 3.34Å; H399-S403 PolarHBondContact ND1-OG 3.04Å; H399-S403 PolarHBondContact NE2-OG 2.8Å; H399-S403 VanDerWaalsContact O-CB 3.23Å; H399-S403 WeakPolarHBondContact O-CB 3.5Å; H399-S403 PolarHBondContact O-N 2.74Å; H399-S403 PolarHBondContact O-OG 2.82Å |
| 400 | S | 80.1 | Confident | 69.7 | Low | 23 Ų | 23 | 54.7 Ų | 54.7 | 16% | 0.161 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.9 | -29.5 | 177.1 | 75.2 | 0 | 0 | 0 | 0 | 113.8 | W327 G396 E397 L398 R404 | W327-S400 WeakPolarHBondContact O-CB 3.16Å; G396-S400 PolarHBondContact O-N 2.85Å; E397-S400 PolarHBondContact O-N 3.34Å; E397-S400 PolarHBondContact O-OG 2.67Å; L398-S400 VanDerWaalsContact C-N 3.3Å; L398-S400 PolarHBondContact O-N 3Å; S400-R404 WeakPolarHBondContact O-CG 3.35Å |
| 401 | V | 79.2 | Confident | 66.4 | Low | 28 Ų | 28 | 61.7 Ų | 61.7 | 17% | 0.17 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -72.1 | -43.6 | 173.4 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | E397 L398 H399 F482 Q485 | E397-V401 PolarHBondContact O-N 2.94Å; L398-V401 WeakPolarHBondContact O-CB 3.48Å; L398-V401 PolarHBondContact O-N 3.13Å; L398-V401 VanDerWaalsContact O-N 3.08Å; H399-V401 VanDerWaalsContact C-N 3.25Å; H399-V401 PolarHBondContact O-N 3.33Å; V401-F482 HydrophobicContact CG2-CD2 4.08Å; V401-F482 HydrophobicContact CG2-CE2 3.78Å; V401-Q485 HydrophobicContact CG1-CB 4.26Å |
| 402 | N | 75.3 | Confident | 63.2 | Low | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -76.8 | -38.5 | -175.7 | -66.6 | -8.7 | 0 | 0 | 0 | 113.1 | P234 L236 L398 H399 R404 D405 F406 | P234-N402 HydrophobicContact CB-CB 4.02Å; P234-N402 VanDerWaalsContact CB-CG 3.48Å; P234-N402 WeakPolarHBondContact CB-ND2 3.37Å; P234-N402 HydrophobicContact CG-CB 4.34Å; L236-N402 PolarHBondContact O-ND2 3.43Å; L398-N402 PolarHBondContact O-N 3.46Å; H399-N402 PolarHBondContact O-N 2.9Å; H399-N402 VanDerWaalsContact O-N 3.16Å; N402-R404 VanDerWaalsContact C-N 3.26Å; N402-R404 PolarHBondContact O-N 2.83Å; N402-D405 PolarHBondContact O-N 3.49Å; N402-F406 PolarHBondContact O-N 3.41Å |
| 403 | S | 62.7 | Low | 60.3 | Low | 22 Ų | 22 | 74.5 Ų | 74.5 | 15% | 0.154 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -72.1 | -16.6 | -177.7 | -70.8 | 0 | 0 | 0 | 0 | 114 | H399 D405 F406 M407 | H399-S403 PolarHBondContact CD2-OG 3.47Å; H399-S403 VanDerWaalsContact CD2-OG 3.29Å; H399-S403 PolarHBondContact CE1-OG 3.34Å; H399-S403 PolarHBondContact ND1-OG 3.04Å; H399-S403 PolarHBondContact NE2-OG 2.8Å; H399-S403 VanDerWaalsContact O-CB 3.23Å; H399-S403 WeakPolarHBondContact O-CB 3.5Å; H399-S403 PolarHBondContact O-N 2.74Å; H399-S403 PolarHBondContact O-OG 2.82Å; S403-D405 PolarHBondContact O-N 3.46Å; S403-F406 PolarHBondContact O-N 3.24Å; S403-M407 PolarHBondContact O-N 2.9Å |
| 404 | R | 53 | Low | 57.2 | Low | 172 Ų | 172 | 78.5 Ų | 78.5 | 65% | 0.649 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.2 | -24.6 | 164.6 | -75.8 | 173.4 | -178.9 | -171.4 | 2.1 | 112.3 | S400 N402 | S400-R404 WeakPolarHBondContact O-CG 3.35Å; N402-R404 VanDerWaalsContact C-N 3.26Å; N402-R404 PolarHBondContact O-N 2.83Å |
| 405 | D | 42.8 | Very low | 54.2 | Low | 98 Ų | 98 | 83.4 Ų | 83.4 | 52% | 0.524 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -101.1 | -16.8 | 178.7 | -71.3 | -21.5 | 0 | 0 | 0 | 113.1 | N402 S403 K489 | N402-D405 PolarHBondContact O-N 3.49Å; S403-D405 PolarHBondContact O-N 3.46Å; D405-K489 IonicContact OD1-NZ 3.77Å; D405-K489 IonicContact OD2-NZ 3.53Å; D405-K489 PolarHBondContact OD2-NZ 3.09Å |
| 406 | F | 36.6 | Very low | 51.6 | Low | 136 Ų | 136 | 86.6 Ų | 86.6 | 60% | 0.596 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -106.6 | -31.2 | -172.5 | -108.4 | -88.8 | 0 | 0 | 0 | 117.4 | P234 N402 S403 | P234-F406 HydrophobicContact CG-CD2 4.31Å; P234-F406 HydrophobicContact CG-CE2 4.1Å; N402-F406 PolarHBondContact O-N 3.41Å; S403-F406 PolarHBondContact O-N 3.24Å |
| 407 | M | 33.4 | Very low | 49 | Very low | 98 Ų | 98 | 89.4 Ų | 89.4 | 48% | 0.483 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | -21.2 | -164.9 | -76.2 | -79.8 | 104.4 | 0 | 0 | 116.6 | L242 S403 | L242-M407 HydrophobicContact CD2-CG 3.67Å; L242-M407 HydrophobicContact CD2-SD 3.85Å; S403-M407 PolarHBondContact O-N 2.9Å |
| 408 | F | 33.9 | Very low | 46.7 | Very low | 148 Ų | 148 | 93.7 Ų | 93.7 | 65% | 0.649 | 50% | 0.5 | S | S | * | . | trans | -146.1 | 95.1 | -174.5 | -64.8 | -77 | 0 | 0 | 0 | 114.5 | K410 | F408-K410 PolarHBondContact O-N 3.11Å; F408-K410 VanDerWaalsContact O-N 3.17Å | ||
| 409 | P | 33.1 | Very low | 44.9 | Very low | 136 Ų | 136 | 95.5 Ų | 95.5 | 88% | 0.883 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 3.8 | 171.8 | -5 | 20.6 | 0 | 0 | 0 | 113.7 | ||
| 410 | K | 29.3 | Very low | 43.1 | Very low | 152 Ų | 152 | 98.7 Ų | 98.7 | 66% | 0.661 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.8 | 15.9 | -161 | -78.6 | -174.2 | 179.9 | 176.4 | 0 | 116.4 | P166 F408 | P166-K410 HydrophobicContact CB-CD 4.02Å; P166-K410 HydrophobicContact CB-CG 4.48Å; P166-K410 HydrophobicContact CG-CD 4.1Å; P166-K410 HydrophobicContact CG-CG 4.37Å; F408-K410 PolarHBondContact O-N 3.11Å; F408-K410 VanDerWaalsContact O-N 3.17Å |
| 411 | Q | 24.4 | Very low | 42.3 | Very low | 150 Ų | 150 | 99 Ų | 99 | 70% | 0.701 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -95.5 | 148.3 | 162.8 | -86.9 | -175.9 | -15.6 | 0 | 0 | 110.5 | R413 | Q411-R413 PolarHBondContact O-N 3.49Š|
| 412 | P | 25.8 | Very low | 42.5 | Very low | 93 Ų | 93 | 98.5 Ų | 98.5 | 60% | 0.604 | 54% | 0.544 | S | S | * | . | trans | -56.4 | 133.1 | 170.8 | -10.7 | 24.1 | 0 | 0 | 0 | 107.6 | A414 | P412-A414 VanDerWaalsContact C-N 3.25Å; P412-A414 PolarHBondContact O-N 3.27Å | ||
| 413 | R | 30.8 | Very low | 43.1 | Very low | 244 Ų | 244 | 98.8 Ų | 98.8 | 92% | 0.921 | 55% | 0.546 | S | S | * | . | trans | -53.8 | 100.8 | 161.7 | -79.2 | -179.8 | 176 | 171.5 | -1.6 | 106 | Q411 S415 | Q411-R413 PolarHBondContact O-N 3.49Å; R413-S415 PolarHBondContact O-N 3.39Å; R413-S415 VanDerWaalsContact O-N 3.11Å | ||
| 414 | A | 25.3 | Very low | 44.5 | Very low | 86 Ų | 86 | 97.7 Ų | 97.7 | 71% | 0.711 | 54% | 0.538 | S | S | * | . | trans | -50.2 | 122.5 | 148 | 0 | 0 | 0 | 0 | 0 | 103.8 | P412 S416 | P412-A414 VanDerWaalsContact C-N 3.25Å; P412-A414 PolarHBondContact O-N 3.27Å; A414-S416 PolarHBondContact O-N 2.85Å | ||
| 415 | S | 29.8 | Very low | 46.2 | Very low | 103 Ų | 103 | 89.8 Ų | 89.8 | 72% | 0.72 | 51% | 0.509 | S | S | * | . | trans | -30.7 | 127.1 | 167.1 | 45 | 0 | 0 | 0 | 0 | 108 | R413 A417 | R413-S415 PolarHBondContact O-N 3.39Å; R413-S415 VanDerWaalsContact O-N 3.11Å; S415-A417 VanDerWaalsContact C-N 3.29Å; S415-A417 PolarHBondContact O-N 2.99Å | ||
| 416 | S | 36.8 | Very low | 48.4 | Very low | 100 Ų | 100 | 88.1 Ų | 88.1 | 70% | 0.699 | 52% | 0.515 | S | S | * | . | trans | -37 | 100.5 | 173.9 | 50.7 | 0 | 0 | 0 | 0 | 107.9 | A414 P418 | A414-S416 PolarHBondContact O-N 2.85Å; S416-P418 VanDerWaalsContact O-CD 3.26Å; S416-P418 WeakPolarHBondContact O-CD 3.49Å | ||
| 417 | A | 34.5 | Very low | 51 | Low | 60 Ų | 60 | 82.4 Ų | 82.4 | 50% | 0.496 | 49% | 0.49 | S | S | . | . | trans | -59.8 | 117.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 101.9 | S415 | S415-A417 VanDerWaalsContact C-N 3.29Å; S415-A417 PolarHBondContact O-N 2.99Å | ||
| 418 | P | 40.4 | Very low | 53.9 | Low | 92 Ų | 92 | 77.7 Ų | 77.7 | 60% | 0.597 | 47% | 0.468 | S | S | * | . | trans | -55.1 | 154.6 | -176.7 | -5.1 | 12.5 | 0 | 0 | 0 | 107.4 | S416 S420 | S416-P418 VanDerWaalsContact O-CD 3.26Å; S416-P418 WeakPolarHBondContact O-CD 3.49Å; P418-S420 WeakPolarHBondContact CB-OG 3.37Å; P418-S420 WeakPolarHBondContact CG-OG 3.41Å; P418-S420 PolarHBondContact O-N 2.87Å; P418-S420 PolarHBondContact O-OG 3.42Å | ||
| 419 | A | 49.1 | Very low | 56.7 | Low | 37 Ų | 37 | 71.1 Ų | 71.1 | 31% | 0.306 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -53 | -1.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G421 S422 Y425 | A419-G421 PolarHBondContact O-N 2.98Å; A419-S422 PolarHBondContact O-N 2.81Å; A419-Y425 HydrophobicContact CB-CD2 3.68Å; A419-Y425 HydrophobicContact CB-CE2 3.65Å |
| 420 | S | 48.3 | Very low | 59.3 | Low | 87 Ų | 87 | 68.2 Ų | 68.2 | 61% | 0.608 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 10.5 | 174.9 | 61.7 | 0 | 0 | 0 | 0 | 115.9 | P418 | P418-S420 WeakPolarHBondContact CB-OG 3.37Å; P418-S420 WeakPolarHBondContact CG-OG 3.41Å; P418-S420 PolarHBondContact O-N 2.87Å; P418-S420 PolarHBondContact O-OG 3.42Å |
| 421 | G | 64.3 | Low | 61.9 | Low | 30 Ų | 30 | 65.9 Ų | 65.9 | 31% | 0.309 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149.6 | 15.1 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | K334 A419 | K334-G421 WeakPolarHBondContact CD-O 3.4Å; A419-G421 PolarHBondContact O-N 2.98Å |
| 422 | S | 83.4 | Confident | 64.6 | Low | 17 Ų | 17 | 69.7 Ų | 69.7 | 12% | 0.119 | 42% | 0.424 | C | S | . | . | trans | -77.2 | 134.1 | 174 | 166 | 0 | 0 | 0 | 0 | 110.6 | E397 A419 I424 Y425 G426 F482 | E397-S422 PolarHBondContact OE2-OG 3.27Å; A419-S422 PolarHBondContact O-N 2.81Å; S422-I424 VanDerWaalsContact C-N 3.34Å; S422-I424 PolarHBondContact OG-N 2.97Å; S422-Y425 PolarHBondContact OG-N 2.98Å; S422-G426 PolarHBondContact O-N 3.44Å; S422-F482 WeakPolarHBondContact OG-CZ 3.49Å | ||
| 423 | L | 87.4 | Confident | 67.5 | Low | 13 Ų | 13 | 66.8 Ų | 66.8 | 7% | 0.068 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67 | -37.9 | 173.9 | -72.6 | 169.3 | 0 | 0 | 0 | 110.8 | A338 L393 E397 G426 T427 | A338-L423 HydrophobicContact CB-CD2 3.7Å; L393-L423 HydrophobicContact CD1-CD1 4.11Å; L393-L423 HydrophobicContact CD2-CB 4.19Å; L393-L423 HydrophobicContact CD2-CD1 3.66Å; L393-L423 HydrophobicContact CG-CD1 4.34Å; E397-L423 PolarHBondContact OE1-N 3.24Å; E397-L423 PolarHBondContact OE2-N 2.9Å; L423-G426 PolarHBondContact O-N 3.3Å; L423-T427 VanDerWaalsContact O-CB 3.26Å; L423-T427 WeakPolarHBondContact O-CB 3.27Å; L423-T427 PolarHBondContact O-N 3.12Å; L423-T427 PolarHBondContact O-OG1 3.3Å |
| 424 | I | 91.7 | Very high | 70.2 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.3 | -55.2 | 173.3 | -66.1 | 166.4 | 0 | 0 | 0 | 110.7 | L394 E397 S422 G426 T427 F428 W429 V478 L479 F482 | L394-I424 HydrophobicContact CB-CG1 4.25Å; L394-I424 HydrophobicContact CD2-CB 4.43Å; L394-I424 HydrophobicContact CD2-CG1 3.46Å; L394-I424 VanDerWaalsContact CD2-CG1 3.46Å; L394-I424 HydrophobicContact CG-CG1 4.37Å; E397-I424 HydrophobicContact CB-CD1 3.76Å; E397-I424 HydrophobicContact CB-CG1 4.32Å; E397-I424 PolarHBondContact OE2-N 3.4Å; E397-I424 VanDerWaalsContact OE2-N 3.08Å; S422-I424 VanDerWaalsContact C-N 3.34Å; S422-I424 PolarHBondContact OG-N 2.97Å; I424-G426 PolarHBondContact O-N 3.47Å; I424-T427 PolarHBondContact O-N 2.98Å; I424-F428 WeakPolarHBondContact O-CD2 3.43Å; I424-F428 PolarHBondContact O-N 2.84Å; I424-W429 HydrophobicContact CG2-CE3 4.47Å; I424-W429 HydrophobicContact CG2-CZ3 3.74Å; I424-V478 HydrophobicContact CD1-CG1 4.42Å; I424-L479 HydrophobicContact CG2-CD2 3.66Å; I424-F482 HydrophobicContact CB-CD1 4.19Å; I424-F482 HydrophobicContact CB-CE1 4.02Å; I424-F482 HydrophobicContact CB-CZ 4.2Å; I424-F482 HydrophobicContact CD1-CB 4.16Å; I424-F482 HydrophobicContact CD1-CD1 4.27Å; I424-F482 HydrophobicContact CD1-CD2 3.51Å; I424-F482 HydrophobicContact CD1-CE2 3.87Å; I424-F482 HydrophobicContact CD1-CG 3.73Å; I424-F482 HydrophobicContact CD1-CZ 4.39Å; I424-F482 HydrophobicContact CG2-CD1 3.5Å; I424-F482 HydrophobicContact CG2-CE1 3.69Å; I424-F482 HydrophobicContact CG2-CG 4.03Å; I424-F482 HydrophobicContact CG2-CZ 4.36Å |
| 425 | Y | 89.7 | Confident | 73 | Confident | 6 Ų | 6 | 58 Ų | 58 | 2% | 0.024 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 178.6 | -87.6 | -61 | 0 | 0 | 0 | 112.2 | A419 S422 T427 W429 R434 F482 Q486 H487 | A419-Y425 HydrophobicContact CB-CD2 3.68Å; A419-Y425 HydrophobicContact CB-CE2 3.65Å; S422-Y425 PolarHBondContact OG-N 2.98Å; Y425-T427 PolarHBondContact O-N 2.95Å; Y425-W429 HydrophobicContact CD1-CB 4.13Å; Y425-W429 HydrophobicContact CD1-CD2 4.29Å; Y425-W429 HydrophobicContact CD1-CE3 4.04Å; Y425-W429 HydrophobicContact CD1-CG 4.34Å; Y425-W429 CarbonylContact O-C 3.48Å; Y425-W429 PolarHBondContact O-N 3.49Å; Y425-R434 HydrophobicContact CD1-CB 4.4Å; Y425-R434 HydrophobicContact CD1-CG 3.88Å; Y425-R434 HydrophobicContact CE1-CB 4.03Å; Y425-R434 HydrophobicContact CE1-CG 4.03Å; Y425-F482 AromaticContact CD2-CE1 3.53Å; Y425-F482 HydrophobicContact CD2-CE1 3.53Å; Y425-F482 AromaticContact CD2-CZ 3.71Å; Y425-F482 HydrophobicContact CD2-CZ 3.71Å; Y425-F482 HydrophobicContact CE1-CE1 4.48Å; Y425-F482 AromaticContact CE2-CE1 3.4Å; Y425-F482 HydrophobicContact CE2-CE1 3.4Å; Y425-F482 AromaticContact CE2-CZ 3.73Å; Y425-F482 HydrophobicContact CE2-CZ 3.73Å; Y425-F482 HydrophobicContact CG-CE1 4.15Å; Y425-F482 AromaticContact CZ-CE1 3.91Å; Y425-Q486 HydrophobicContact CE2-CG 4.08Å; Y425-Q486 WeakPolarHBondContact OH-CB 3.3Å; Y425-H487 PolarHBondContact OH-CD2 3.48Å; Y425-H487 PolarHBondContact OH-NE2 2.81Å |
| 426 | G | 87.8 | Confident | 75.9 | Confident | 63 Ų | 63 | 55.9 Ų | 55.9 | 65% | 0.649 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.2 | -22 | 180 | 0 | 0 | 0 | 0 | 0 | 114.3 | S422 L423 I424 | S422-G426 PolarHBondContact O-N 3.44Å; L423-G426 PolarHBondContact O-N 3.3Å; I424-G426 PolarHBondContact O-N 3.47Å |
| 427 | T | 91.6 | Very high | 78.6 | Confident | 15 Ų | 15 | 51.2 Ų | 51.2 | 9% | 0.092 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -93.2 | -43.8 | -178.1 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | L350 W351 L354 L423 I424 Y425 | L350-T427 HydrophobicContact CB-CG2 3.99Å; L350-T427 HydrophobicContact CD2-CG2 4.08Å; L350-T427 WeakPolarHBondContact CD2-OG1 3.48Å; L350-T427 HydrophobicContact CG-CG2 3.91Å; W351-T427 HydrophobicContact CB-CG2 3.84Å; L354-T427 HydrophobicContact CD1-CG2 4.2Å; L423-T427 VanDerWaalsContact O-CB 3.26Å; L423-T427 WeakPolarHBondContact O-CB 3.27Å; L423-T427 PolarHBondContact O-N 3.12Å; L423-T427 PolarHBondContact O-OG1 3.3Å; I424-T427 PolarHBondContact O-N 2.98Å; Y425-T427 PolarHBondContact O-N 2.95Å |
| 428 | F | 94.3 | Very high | 81.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -107.5 | -11.2 | -167.6 | -67.1 | -84.8 | 0 | 0 | 0 | 114.7 | W351 L354 L394 I424 S439 T441 V442 L445 L475 L479 | W351-F428 HydrophobicContact CE3-CD1 4.18Å; W351-F428 AromaticContact CE3-CE1 3.64Å; W351-F428 HydrophobicContact CE3-CE1 3.64Å; W351-F428 HydrophobicContact CE3-CZ 4.29Å; W351-F428 HydrophobicContact CZ3-CD1 4.31Å; W351-F428 AromaticContact CZ3-CE1 3.64Å; W351-F428 HydrophobicContact CZ3-CE1 3.64Å; W351-F428 HydrophobicContact CZ3-CZ 4.47Å; L354-F428 HydrophobicContact CD1-CZ 4.01Å; L394-F428 HydrophobicContact CD1-CE2 4Å; L394-F428 HydrophobicContact CD1-CZ 4.46Å; I424-F428 WeakPolarHBondContact O-CD2 3.43Å; I424-F428 PolarHBondContact O-N 2.84Å; F428-S439 VanDerWaalsContact O-CB 3.31Å; F428-S439 WeakPolarHBondContact O-CB 3.15Å; F428-S439 PolarHBondContact O-OG 3.31Å; F428-T441 HydrophobicContact CD1-CG2 3.72Å; F428-T441 HydrophobicContact CE1-CG2 4.34Å; F428-T441 HydrophobicContact CG-CG2 4.45Å; F428-V442 HydrophobicContact CB-CG2 4.49Å; F428-L445 HydrophobicContact CE1-CD2 4.3Å; F428-L475 HydrophobicContact CE1-CD2 4.45Å; F428-L475 HydrophobicContact CE2-CD1 4.46Å; F428-L475 HydrophobicContact CZ-CD1 4Å; F428-L475 HydrophobicContact CZ-CD2 4.06Å; F428-L475 HydrophobicContact CZ-CG 4.28Å; F428-L479 HydrophobicContact CB-CD2 4.38Å; F428-L479 HydrophobicContact CD1-CD1 3.53Å; F428-L479 HydrophobicContact CD1-CD2 4.25Å; F428-L479 HydrophobicContact CD2-CD1 4.19Å; F428-L479 HydrophobicContact CD2-CD2 3.37Å; F428-L479 HydrophobicContact CD2-CG 4.41Å; F428-L479 HydrophobicContact CE1-CD1 3.52Å; F428-L479 HydrophobicContact CE1-CD2 4.41Å; F428-L479 HydrophobicContact CE2-CD1 4.2Å; F428-L479 HydrophobicContact CE2-CD2 3.59Å; F428-L479 HydrophobicContact CE2-CG 4.44Å; F428-L479 HydrophobicContact CG-CD1 3.89Å; F428-L479 HydrophobicContact CG-CD2 3.74Å; F428-L479 HydrophobicContact CG-CG 4.48Å; F428-L479 HydrophobicContact CZ-CD1 3.89Å; F428-L479 HydrophobicContact CZ-CD2 4.12Å |
| 429 | W | 93 | Very high | 84 | Confident | 9 Ų | 9 | 45.3 Ų | 45.3 | 3% | 0.034 | 27% | 0.265 | C | S | . | . | trans | -139.4 | 128.5 | -179.4 | -70.1 | -89.8 | 0 | 0 | 0 | 112.3 | I424 Y425 E433 R434 T436 L437 V442 L479 W483 | I424-W429 HydrophobicContact CG2-CE3 4.47Å; I424-W429 HydrophobicContact CG2-CZ3 3.74Å; Y425-W429 HydrophobicContact CD1-CB 4.13Å; Y425-W429 HydrophobicContact CD1-CD2 4.29Å; Y425-W429 HydrophobicContact CD1-CE3 4.04Å; Y425-W429 HydrophobicContact CD1-CG 4.34Å; Y425-W429 CarbonylContact O-C 3.48Å; Y425-W429 PolarHBondContact O-N 3.49Å; W429-E433 HydrophobicContact CB-CB 4.49Å; W429-R434 HydrophobicContact CB-CG 4.14Å; W429-T436 PolarHBondContact NE1-O 2.9Å; W429-L437 HydrophobicContact CZ2-CD1 4.2Å; W429-L437 WeakPolarHBondContact CZ2-O 3.43Å; W429-L437 PolarHBondContact NE1-O 3.26Å; W429-V442 HydrophobicContact CH2-CG2 4.22Å; W429-V442 HydrophobicContact CZ2-CG2 3.82Å; W429-L479 HydrophobicContact CH2-CB 4.12Å; W429-L479 HydrophobicContact CH2-CD2 4.21Å; W429-L479 HydrophobicContact CZ3-CD2 4.05Å; W429-W483 HydrophobicContact CH2-CB 4.35Å; W429-W483 HydrophobicContact CZ2-CB 4.36Å; W429-W483 AromaticContact CZ2-CD1 3.93Å; W429-W483 HydrophobicContact CZ2-CG 4.32Å | ||
| 430 | T | 88.6 | Confident | 86.1 | Confident | 75 Ų | 75 | 47.3 Ų | 47.3 | 46% | 0.46 | 28% | 0.276 | S | S | . | . | trans | -66 | 165.3 | 161.7 | 64.7 | 0 | 0 | 0 | 0 | 110.5 | W432 E433 R434 | T430-W432 PolarHBondContact O-N 2.85Å; T430-W432 VanDerWaalsContact O-N 3.13Å; T430-E433 WeakPolarHBondContact CB-OE2 3.48Å; T430-E433 VanDerWaalsContact CG2-OE2 3.28Å; T430-E433 WeakPolarHBondContact CG2-OE2 3.41Å; T430-E433 PolarHBondContact N-OE2 2.89Å; T430-E433 PolarHBondContact O-N 3.18Å; T430-E433 VanDerWaalsContact O-N 3.12Å; T430-E433 VanDerWaalsContact OG1-CD 3.28Å; T430-E433 VanDerWaalsContact OG1-CG 3.25Å; T430-E433 WeakPolarHBondContact OG1-CG 3.42Å; T430-E433 PolarHBondContact OG1-N 3.42Å; T430-E433 PolarHBondContact OG1-OE2 3.29Å; T430-R434 VanDerWaalsContact O-CG 3.31Å; T430-R434 WeakPolarHBondContact O-CG 3.48Å; T430-R434 PolarHBondContact O-N 2.79Å | ||
| 431 | V | 82.1 | Confident | 88.2 | Confident | 103 Ų | 103 | 44.2 Ų | 44.2 | 62% | 0.624 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -34.1 | 178.7 | 178.2 | 0 | 0 | 0 | 0 | 112 | ||
| 432 | W | 81.9 | Confident | 89.8 | Confident | 230 Ų | 230 | 42.9 Ų | 42.9 | 87% | 0.871 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -25.6 | -177.9 | -54 | 105 | 0 | 0 | 0 | 113.7 | T430 | T430-W432 PolarHBondContact O-N 2.85Å; T430-W432 VanDerWaalsContact O-N 3.13Å |
| 433 | E | 87.5 | Confident | 90.3 | Very high | 33 Ų | 33 | 46.1 Ų | 46.1 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -7.5 | -178.8 | -68 | 167.3 | 126.7 | 0 | 0 | 113.1 | W429 T430 T435 T436 C440 | W429-E433 HydrophobicContact CB-CB 4.49Å; T430-E433 WeakPolarHBondContact CB-OE2 3.48Å; T430-E433 VanDerWaalsContact CG2-OE2 3.28Å; T430-E433 WeakPolarHBondContact CG2-OE2 3.41Å; T430-E433 PolarHBondContact N-OE2 2.89Å; T430-E433 PolarHBondContact O-N 3.18Å; T430-E433 VanDerWaalsContact O-N 3.12Å; T430-E433 VanDerWaalsContact OG1-CD 3.28Å; T430-E433 VanDerWaalsContact OG1-CG 3.25Å; T430-E433 WeakPolarHBondContact OG1-CG 3.42Å; T430-E433 PolarHBondContact OG1-N 3.42Å; T430-E433 PolarHBondContact OG1-OE2 3.29Å; E433-T435 PolarHBondContact O-N 3.45Å; E433-T436 PolarHBondContact O-N 3.16Å; E433-T436 PolarHBondContact O-OG1 3.32Å; E433-C440 PolarHBondContact OE1-N 3.5Å |
| 434 | R | 86 | Confident | 90.6 | Very high | 65 Ų | 65 | 49.6 Ų | 49.6 | 25% | 0.245 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26.3 | -173 | -64.6 | -170.7 | 175.9 | 173.6 | -3.3 | 113.8 | Y425 W429 T430 T436 W483 H487 | Y425-R434 HydrophobicContact CD1-CB 4.4Å; Y425-R434 HydrophobicContact CD1-CG 3.88Å; Y425-R434 HydrophobicContact CE1-CB 4.03Å; Y425-R434 HydrophobicContact CE1-CG 4.03Å; W429-R434 HydrophobicContact CB-CG 4.14Å; T430-R434 VanDerWaalsContact O-CG 3.31Å; T430-R434 WeakPolarHBondContact O-CG 3.48Å; T430-R434 PolarHBondContact O-N 2.79Å; R434-T436 VanDerWaalsContact C-N 3.31Å; R434-W483 PolarHBondContact O-NE1 2.95Å; R434-H487 PolarHBondContact O-CE1 3.24Å; R434-H487 PolarHBondContact O-NE2 3.17Å |
| 435 | T | 85.2 | Confident | 90.8 | Very high | 81 Ų | 81 | 49.6 Ų | 49.6 | 50% | 0.497 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -5.1 | 177.8 | 52.6 | 0 | 0 | 0 | 0 | 114 | E433 L494 | E433-T435 PolarHBondContact O-N 3.45Å; T435-L494 WeakPolarHBondContact O-CD1 3.31Å |
| 436 | T | 90.1 | Very high | 91.1 | Very high | 58 Ų | 58 | 49.3 Ų | 49.3 | 36% | 0.356 | 27% | 0.265 | S | S | . | . | trans | -120 | 125.1 | 179.4 | 53.4 | 0 | 0 | 0 | 0 | 109.9 | W429 E433 R434 L438 | W429-T436 PolarHBondContact NE1-O 2.9Å; E433-T436 PolarHBondContact O-N 3.16Å; E433-T436 PolarHBondContact O-OG1 3.32Å; R434-T436 VanDerWaalsContact C-N 3.31Å; T436-L438 VanDerWaalsContact C-N 3.25Å; T436-L438 PolarHBondContact O-N 2.97Å | ||
| 437 | L | 93.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -59.8 | -39.9 | 176.4 | -179.7 | 62.3 | 0 | 0 | 0 | 111.5 | W429 S439 V480 W483 G498 L499 L502 | W429-L437 HydrophobicContact CZ2-CD1 4.2Å; W429-L437 WeakPolarHBondContact CZ2-O 3.43Å; W429-L437 PolarHBondContact NE1-O 3.26Å; L437-S439 PolarHBondContact O-N 3.27Å; L437-S439 VanDerWaalsContact O-N 3.16Å; L437-V480 HydrophobicContact CD1-CG2 4.33Å; L437-V480 HydrophobicContact CD2-CG2 4.36Å; L437-W483 HydrophobicContact CB-CD2 3.9Å; L437-W483 HydrophobicContact CB-CE3 3.83Å; L437-W483 HydrophobicContact CB-CH2 4.1Å; L437-W483 HydrophobicContact CB-CZ2 4.2Å; L437-W483 HydrophobicContact CB-CZ3 3.9Å; L437-W483 HydrophobicContact CD1-CB 3.65Å; L437-W483 HydrophobicContact CD1-CD2 3.72Å; L437-W483 HydrophobicContact CD1-CE3 3.76Å; L437-W483 HydrophobicContact CD1-CG 3.66Å; L437-W483 HydrophobicContact CD2-CE3 4.33Å; L437-W483 HydrophobicContact CG-CD2 4.37Å; L437-W483 HydrophobicContact CG-CE3 4.19Å; L437-G498 WeakPolarHBondContact CD2-O 3.35Å; L437-L499 HydrophobicContact CD2-CD2 3.95Å; L437-L502 HydrophobicContact CD2-CB 4.09Å; L437-L502 HydrophobicContact CD2-CD2 3.85Å |
| 438 | L | 93.8 | Very high | 91.4 | Very high | 26 Ų | 26 | 50.3 Ų | 50.3 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -89.7 | 66.4 | -173.8 | -163.5 | 73.9 | 0 | 0 | 0 | 112.6 | T436 V442 K443 L446 L502 H505 | T436-L438 VanDerWaalsContact C-N 3.25Å; T436-L438 PolarHBondContact O-N 2.97Å; L438-V442 HydrophobicContact CD1-CG1 4.31Å; L438-K443 HydrophobicContact CD1-CG 3.9Å; L438-K443 HydrophobicContact CD2-CD 4.39Å; L438-K443 VanDerWaalsContact CD2-CE 3.43Å; L438-K443 HydrophobicContact CD2-CG 4.15Å; L438-K443 HydrophobicContact CG-CD 4.26Å; L438-K443 HydrophobicContact CG-CG 3.66Å; L438-K443 WeakPolarHBondContact O-CE 3.21Å; L438-L446 HydrophobicContact CD1-CD1 3.71Å; L438-L502 HydrophobicContact CD1-CD1 3.98Å; L438-H505 HydrophobicContact CD1-CB 4.09Å; L438-H505 HydrophobicContact CD2-CB 3.64Å |
| 439 | S | 94.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | trans | -66.8 | 166.7 | 172.7 | 69.9 | 0 | 0 | 0 | 0 | 112.3 | F428 L437 T441 V442 K443 | F428-S439 VanDerWaalsContact O-CB 3.31Å; F428-S439 WeakPolarHBondContact O-CB 3.15Å; F428-S439 PolarHBondContact O-OG 3.31Å; L437-S439 PolarHBondContact O-N 3.27Å; L437-S439 VanDerWaalsContact O-N 3.16Å; S439-T441 PolarHBondContact O-N 2.81Å; S439-T441 PolarHBondContact OG-N 2.88Å; S439-V442 PolarHBondContact O-N 3.1Å; S439-V442 WeakPolarHBondContact OG-CG2 3.35Å; S439-V442 PolarHBondContact OG-N 3.19Å; S439-V442 VanDerWaalsContact OG-N 3.12Å; S439-K443 WeakPolarHBondContact O-CG 3.44Å; S439-K443 PolarHBondContact O-N 3.35Å | ||
| 440 | C | 92.8 | Very high | 91.3 | Very high | 79 Ų | 79 | 50.9 Ų | 50.9 | 53% | 0.534 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -54.1 | -39.4 | 172.8 | -73 | 0 | 0 | 0 | 0 | 112.4 | E433 K443 K444 | E433-C440 PolarHBondContact OE1-N 3.5Å; C440-K443 PolarHBondContact O-N 2.89Å; C440-K444 WeakPolarHBondContact O-CG 3.44Å; C440-K444 PolarHBondContact O-N 3.16Å; C440-K444 VanDerWaalsContact O-N 3.13Å |
| 441 | T | 93.6 | Very high | 91.3 | Very high | 22 Ų | 22 | 50 Ų | 50 | 14% | 0.135 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.9 | -42.8 | 178.5 | -49.7 | 0 | 0 | 0 | 0 | 112.4 | W351 F428 S439 K443 K444 L445 | W351-T441 HydrophobicContact CB-CG2 4.23Å; W351-T441 HydrophobicContact CD2-CG2 3.09Å; W351-T441 VanDerWaalsContact CE2-CG2 3.43Å; W351-T441 HydrophobicContact CE3-CG2 3.29Å; W351-T441 HydrophobicContact CG-CG2 3.5Å; W351-T441 HydrophobicContact CH2-CG2 4.03Å; W351-T441 HydrophobicContact CZ2-CG2 3.89Å; W351-T441 HydrophobicContact CZ3-CG2 3.76Å; F428-T441 HydrophobicContact CD1-CG2 3.72Å; F428-T441 HydrophobicContact CE1-CG2 4.34Å; F428-T441 HydrophobicContact CG-CG2 4.45Å; S439-T441 PolarHBondContact O-N 2.81Å; S439-T441 PolarHBondContact OG-N 2.88Å; T441-K443 VanDerWaalsContact C-N 3.35Å; T441-K444 PolarHBondContact O-N 3.33Å; T441-L445 PolarHBondContact O-N 3.37Å |
| 442 | V | 95.9 | Very high | 91.7 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.2 | -37.5 | 177.4 | 174.3 | 0 | 0 | 0 | 0 | 111 | F428 W429 L438 S439 L445 L446 L476 L479 | F428-V442 HydrophobicContact CB-CG2 4.49Å; W429-V442 HydrophobicContact CH2-CG2 4.22Å; W429-V442 HydrophobicContact CZ2-CG2 3.82Å; L438-V442 HydrophobicContact CD1-CG1 4.31Å; S439-V442 PolarHBondContact O-N 3.1Å; S439-V442 WeakPolarHBondContact OG-CG2 3.35Å; S439-V442 PolarHBondContact OG-N 3.19Å; S439-V442 VanDerWaalsContact OG-N 3.12Å; V442-L445 WeakPolarHBondContact O-CB 3.13Å; V442-L445 PolarHBondContact O-N 3Å; V442-L446 HydrophobicContact CG1-CD1 4.18Å; V442-L446 VanDerWaalsContact O-CG 3.32Å; V442-L446 WeakPolarHBondContact O-CG 3.49Å; V442-L446 PolarHBondContact O-N 3.31Å; V442-L476 HydrophobicContact CG1-CD1 4.4Å; V442-L479 HydrophobicContact CG2-CD1 4.5Å |
| 443 | K | 95.1 | Very high | 92 | Very high | 85 Ų | 85 | 34.4 Ų | 34.4 | 37% | 0.37 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.8 | -45.9 | 172.9 | -68.3 | 176 | -176.6 | 178.9 | 0 | 112 | L438 S439 C440 T441 L445 L446 Q447 | L438-K443 HydrophobicContact CD1-CG 3.9Å; L438-K443 HydrophobicContact CD2-CD 4.39Å; L438-K443 VanDerWaalsContact CD2-CE 3.43Å; L438-K443 HydrophobicContact CD2-CG 4.15Å; L438-K443 HydrophobicContact CG-CD 4.26Å; L438-K443 HydrophobicContact CG-CG 3.66Å; L438-K443 WeakPolarHBondContact O-CE 3.21Å; S439-K443 WeakPolarHBondContact O-CG 3.44Å; S439-K443 PolarHBondContact O-N 3.35Å; C440-K443 PolarHBondContact O-N 2.89Å; T441-K443 VanDerWaalsContact C-N 3.35Å; K443-L445 VanDerWaalsContact C-N 3.35Å; K443-L445 PolarHBondContact O-N 3.22Å; K443-L446 WeakPolarHBondContact O-CB 3.49Å; K443-L446 PolarHBondContact O-N 3.26Å; K443-Q447 PolarHBondContact O-N 3.3Å |
| 444 | K | 93.9 | Very high | 92 | Very high | 86 Ų | 86 | 36.6 Ų | 36.6 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 175.1 | -72.7 | 179.6 | 169.7 | -161.3 | 0 | 112.3 | W351 E355 C440 T441 L446 Q447 L448 | W351-K444 HydrophobicContact CH2-CB 4.24Å; W351-K444 HydrophobicContact CZ2-CB 3.69Å; W351-K444 HydrophobicContact CZ2-CD 4.14Å; E355-K444 IonicContact OE1-NZ 3.99Å; E355-K444 PolarHBondContact OE1-NZ 2.88Å; E355-K444 VanDerWaalsContact OE1-NZ 3.17Å; E355-K444 IonicContact OE2-NZ 3.64Å; C440-K444 WeakPolarHBondContact O-CG 3.44Å; C440-K444 PolarHBondContact O-N 3.16Å; C440-K444 VanDerWaalsContact O-N 3.13Å; T441-K444 PolarHBondContact O-N 3.33Å; K444-L446 VanDerWaalsContact C-N 3.3Å; K444-L446 PolarHBondContact O-N 3.27Å; K444-Q447 PolarHBondContact O-N 3.4Å; K444-L448 WeakPolarHBondContact O-CG 3.31Å; K444-L448 PolarHBondContact O-N 2.92Å |
| 445 | L | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 175.6 | 176.8 | 62.6 | 0 | 0 | 0 | 111.6 | W351 F428 T441 V442 K443 L448 L449 L472 L475 L476 L479 | W351-L445 HydrophobicContact CH2-CB 3.9Å; W351-L445 HydrophobicContact CZ3-CB 4.18Å; F428-L445 HydrophobicContact CE1-CD2 4.3Å; T441-L445 PolarHBondContact O-N 3.37Å; V442-L445 WeakPolarHBondContact O-CB 3.13Å; V442-L445 PolarHBondContact O-N 3Å; K443-L445 VanDerWaalsContact C-N 3.35Å; K443-L445 PolarHBondContact O-N 3.22Å; L445-L448 PolarHBondContact O-N 3.36Å; L445-L449 WeakPolarHBondContact O-CB 3.49Å; L445-L449 PolarHBondContact O-N 3.22Å; L445-L472 HydrophobicContact CD1-CD2 3.81Å; L445-L475 HydrophobicContact CD1-CD2 3.86Å; L445-L475 HydrophobicContact CD2-CD2 3.99Å; L445-L475 HydrophobicContact CD2-CG 4.07Å; L445-L476 HydrophobicContact CD2-CB 4.39Å; L445-L479 HydrophobicContact CD2-CD1 3.61Å |
| 446 | L | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.3 | -41.7 | 177.4 | -69.2 | 162.7 | 0 | 0 | 0 | 112 | L438 V442 K443 K444 L449 T450 L476 L502 L506 L509 | L438-L446 HydrophobicContact CD1-CD1 3.71Å; V442-L446 HydrophobicContact CG1-CD1 4.18Å; V442-L446 VanDerWaalsContact O-CG 3.32Å; V442-L446 WeakPolarHBondContact O-CG 3.49Å; V442-L446 PolarHBondContact O-N 3.31Å; K443-L446 WeakPolarHBondContact O-CB 3.49Å; K443-L446 PolarHBondContact O-N 3.26Å; K444-L446 VanDerWaalsContact C-N 3.3Å; K444-L446 PolarHBondContact O-N 3.27Å; L446-L449 WeakPolarHBondContact O-CB 3.27Å; L446-L449 PolarHBondContact O-N 2.96Å; L446-T450 PolarHBondContact O-N 3.42Å; L446-T450 PolarHBondContact O-OG1 3.05Å; L446-L476 HydrophobicContact CD2-CD1 4.03Å; L446-L476 HydrophobicContact CD2-CD2 3.48Å; L446-L476 VanDerWaalsContact CD2-CD2 3.48Å; L446-L476 HydrophobicContact CD2-CG 4.42Å; L446-L502 HydrophobicContact CD1-CD1 3.48Å; L446-L502 VanDerWaalsContact CD1-CD1 3.48Å; L446-L502 HydrophobicContact CD2-CD1 4.17Å; L446-L502 HydrophobicContact CG-CD1 4.43Å; L446-L506 HydrophobicContact CD2-CD2 3.71Å; L446-L506 HydrophobicContact CD2-CG 4.1Å; L446-L509 HydrophobicContact CB-CD1 3.57Å |
| 447 | Q | 93.4 | Very high | 91.5 | Very high | 97 Ų | 97 | 33.9 Ų | 33.9 | 45% | 0.453 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.9 | -48.8 | 174.8 | -175 | -173.8 | -17.6 | 0 | 0 | 111.5 | K443 K444 L449 T450 E451 | K443-Q447 PolarHBondContact O-N 3.3Å; K444-Q447 PolarHBondContact O-N 3.4Å; Q447-L449 VanDerWaalsContact C-N 3.29Å; Q447-L449 PolarHBondContact O-N 3.47Å; Q447-T450 WeakPolarHBondContact O-CB 3.22Å; Q447-T450 PolarHBondContact O-N 2.93Å; Q447-T450 VanDerWaalsContact O-N 3.13Å; Q447-E451 WeakPolarHBondContact CG-OE1 3.46Å; Q447-E451 PolarHBondContact NE2-OE1 3.33Å; Q447-E451 WeakPolarHBondContact O-CG 3.43Å; Q447-E451 PolarHBondContact O-N 2.82Å |
| 448 | L | 93.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.2 | -35.4 | 178.2 | -68.9 | 170.6 | 0 | 0 | 0 | 112.4 | W351 E355 I358 R359 L362 K444 L445 E451 A452 | W351-L448 HydrophobicContact CH2-CD1 4.39Å; E355-L448 HydrophobicContact CG-CD1 4.48Å; I358-L448 HydrophobicContact CB-CD1 4.34Å; I358-L448 HydrophobicContact CD1-CD1 4.19Å; I358-L448 HydrophobicContact CG2-CB 3.94Å; I358-L448 HydrophobicContact CG2-CD1 4.06Å; I358-L448 HydrophobicContact CG2-CD2 4.22Å; I358-L448 HydrophobicContact CG2-CG 4.3Å; R359-L448 HydrophobicContact CG-CD2 3.79Å; L362-L448 HydrophobicContact CD1-CD2 4.06Å; K444-L448 WeakPolarHBondContact O-CG 3.31Å; K444-L448 PolarHBondContact O-N 2.92Å; L445-L448 PolarHBondContact O-N 3.36Å; L448-E451 PolarHBondContact O-N 2.7Å; L448-A452 WeakPolarHBondContact O-CB 3.33Å; L448-A452 PolarHBondContact O-N 3.03Å |
| 449 | L | 93.4 | Very high | 89.8 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | 173.3 | 168.3 | 65 | 0 | 0 | 0 | 111.3 | L445 L446 Q447 A452 A453 A469 L472 L473 L476 L521 | L445-L449 WeakPolarHBondContact O-CB 3.49Å; L445-L449 PolarHBondContact O-N 3.22Å; L446-L449 WeakPolarHBondContact O-CB 3.27Å; L446-L449 PolarHBondContact O-N 2.96Å; Q447-L449 VanDerWaalsContact C-N 3.29Å; Q447-L449 PolarHBondContact O-N 3.47Å; L449-A452 PolarHBondContact O-N 3.01Å; L449-A453 WeakPolarHBondContact O-CB 3.4Å; L449-A453 PolarHBondContact O-N 3.38Å; L449-A469 HydrophobicContact CD1-CB 4.37Å; L449-L472 HydrophobicContact CB-CB 4.32Å; L449-L472 HydrophobicContact CB-CD1 4.39Å; L449-L472 HydrophobicContact CD1-CB 3.87Å; L449-L473 HydrophobicContact CD1-CD2 3.95Å; L449-L473 HydrophobicContact CD1-CG 3.73Å; L449-L473 HydrophobicContact CD2-CD2 3.63Å; L449-L473 HydrophobicContact CD2-CG 4.33Å; L449-L473 HydrophobicContact CG-CD2 4.39Å; L449-L476 HydrophobicContact CD2-CD2 4.06Å; L449-L521 HydrophobicContact CD1-CD1 4.1Å; L449-L521 HydrophobicContact CG-CD1 4.31Å |
| 450 | T | 90.4 | Very high | 88.1 | Confident | 17 Ų | 17 | 42.6 Ų | 42.6 | 10% | 0.104 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 175.6 | -63.1 | 0 | 0 | 0 | 0 | 111.4 | L446 Q447 A452 A453 I454 L513 | L446-T450 PolarHBondContact O-N 3.42Å; L446-T450 PolarHBondContact O-OG1 3.05Å; Q447-T450 WeakPolarHBondContact O-CB 3.22Å; Q447-T450 PolarHBondContact O-N 2.93Å; Q447-T450 VanDerWaalsContact O-N 3.13Å; T450-A452 PolarHBondContact O-N 3.47Å; T450-A453 PolarHBondContact O-N 3.37Å; T450-I454 HydrophobicContact CG2-CD1 4.14Å; T450-I454 VanDerWaalsContact O-CG1 3.31Å; T450-I454 WeakPolarHBondContact O-CG1 3.44Å; T450-I454 PolarHBondContact O-N 2.86Å; T450-L513 HydrophobicContact CG2-CD1 3.73Å; T450-L513 HydrophobicContact CG2-CD2 3.91Å; T450-L513 HydrophobicContact CG2-CG 4.31Å |
| 451 | E | 90.3 | Very high | 86.1 | Confident | 56 Ų | 56 | 42.3 Ų | 42.3 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.6 | -44.6 | 175.1 | -69.8 | 170.8 | -157 | 0 | 0 | 111.6 | L362 Q447 L448 A453 I454 M455 | L362-E451 HydrophobicContact CD1-CB 3.99Å; Q447-E451 WeakPolarHBondContact CG-OE1 3.46Å; Q447-E451 PolarHBondContact NE2-OE1 3.33Å; Q447-E451 WeakPolarHBondContact O-CG 3.43Å; Q447-E451 PolarHBondContact O-N 2.82Å; L448-E451 PolarHBondContact O-N 2.7Å; E451-A453 PolarHBondContact O-N 2.87Å; E451-I454 PolarHBondContact O-N 3.41Å; E451-M455 PolarHBondContact O-N 3.23Å |
| 452 | A | 90.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L362 L448 L449 T450 I454 M455 E456 L468 A469 L472 | L362-A452 HydrophobicContact CD2-CB 3.87Å; L448-A452 WeakPolarHBondContact O-CB 3.33Å; L448-A452 PolarHBondContact O-N 3.03Å; L449-A452 PolarHBondContact O-N 3.01Å; T450-A452 PolarHBondContact O-N 3.47Å; A452-I454 VanDerWaalsContact C-N 3.33Å; A452-I454 PolarHBondContact O-N 3.32Å; A452-M455 PolarHBondContact O-N 2.94Å; A452-E456 WeakPolarHBondContact O-CG 3.47Å; A452-E456 PolarHBondContact O-N 2.78Å; A452-L468 HydrophobicContact CB-CD2 4.12Å; A452-L468 HydrophobicContact CB-CG 4.18Å; A452-A469 HydrophobicContact CB-CB 4.23Å; A452-L472 HydrophobicContact CB-CD1 4.06Å |
| 453 | A | 88.6 | Confident | 81.7 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.9 | -36.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L449 T450 E451 F457 V517 L521 | L449-A453 WeakPolarHBondContact O-CB 3.4Å; L449-A453 PolarHBondContact O-N 3.38Å; T450-A453 PolarHBondContact O-N 3.37Å; E451-A453 PolarHBondContact O-N 2.87Å; A453-F457 VanDerWaalsContact O-CB 3.3Å; A453-F457 WeakPolarHBondContact O-CB 3.38Å; A453-F457 PolarHBondContact O-N 3.46Å; A453-V517 HydrophobicContact CB-CG1 4.35Å; A453-L521 HydrophobicContact CB-CD1 4.05Å |
| 454 | I | 86.8 | Confident | 79.8 | Confident | 79 Ų | 79 | 59.3 Ų | 59.3 | 41% | 0.405 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.6 | -48.1 | 174.8 | -64.9 | 163.7 | 0 | 0 | 0 | 110.4 | T450 E451 A452 F457 A458 L513 | T450-I454 HydrophobicContact CG2-CD1 4.14Å; T450-I454 VanDerWaalsContact O-CG1 3.31Å; T450-I454 WeakPolarHBondContact O-CG1 3.44Å; T450-I454 PolarHBondContact O-N 2.86Å; E451-I454 PolarHBondContact O-N 3.41Å; A452-I454 VanDerWaalsContact C-N 3.33Å; A452-I454 PolarHBondContact O-N 3.32Å; I454-F457 PolarHBondContact O-N 2.94Å; I454-A458 PolarHBondContact O-N 3.47Å; I454-L513 HydrophobicContact CD1-CD2 3.61Å; I454-L513 HydrophobicContact CG1-CD2 3.69Å |
| 455 | M | 85.5 | Confident | 77.9 | Confident | 33 Ų | 33 | 62.2 Ų | 62.2 | 16% | 0.163 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.4 | -51.6 | -179.1 | -175.3 | -169.6 | 78 | 0 | 0 | 111.4 | L362 E451 A452 F457 A458 E459 | L362-M455 HydrophobicContact CD2-CB 4.47Å; L362-M455 HydrophobicContact CD2-CE 3.97Å; L362-M455 HydrophobicContact CD2-SD 3.75Å; E451-M455 PolarHBondContact O-N 3.23Å; A452-M455 PolarHBondContact O-N 2.94Å; M455-F457 VanDerWaalsContact C-N 3.26Å; M455-F457 PolarHBondContact O-N 3.37Å; M455-A458 PolarHBondContact O-N 2.99Å; M455-A458 VanDerWaalsContact O-N 3.08Å; M455-E459 PolarHBondContact O-N 3.01Å; M455-E459 VanDerWaalsContact O-N 3.13Å |
| 456 | E | 83.8 | Confident | 76.4 | Confident | 14 Ų | 14 | 64.1 Ų | 64.1 | 7% | 0.065 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.4 | -29.4 | 179.8 | -73.9 | 179.9 | -168 | 0 | 0 | 113.2 | A452 L468 A469 R524 | A452-E456 WeakPolarHBondContact O-CG 3.47Å; A452-E456 PolarHBondContact O-N 2.78Å; E456-L468 PolarHBondContact OE1-N 3.47Å; E456-A469 WeakPolarHBondContact OE1-CB 3.47Å; E456-A469 PolarHBondContact OE1-N 2.75Å; E456-A469 VanDerWaalsContact OE2-CB 3.31Å; E456-A469 WeakPolarHBondContact OE2-CB 3.45Å; E456-R524 IonicContact OE2-CZ 3.64Å; E456-R524 IonicContact OE2-NH1 3.62Å; E456-R524 PolarHBondContact OE2-NH1 3.4Å |
| 457 | F | 81.8 | Confident | 75.7 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -71.9 | -36.5 | 174.1 | -175.8 | -95.2 | 0 | 0 | 0 | 111.7 | A453 I454 M455 A516 V517 | A453-F457 VanDerWaalsContact O-CB 3.3Å; A453-F457 WeakPolarHBondContact O-CB 3.38Å; A453-F457 PolarHBondContact O-N 3.46Å; I454-F457 PolarHBondContact O-N 2.94Å; M455-F457 VanDerWaalsContact C-N 3.26Å; M455-F457 PolarHBondContact O-N 3.37Å; F457-A516 HydrophobicContact CE2-CB 3.82Å; F457-A516 HydrophobicContact CZ-CB 3.69Å; F457-V517 HydrophobicContact CB-CG2 3.75Å; F457-V517 HydrophobicContact CD1-CG2 3.45Å; F457-V517 VanDerWaalsContact CD1-CG2 3.45Å; F457-V517 HydrophobicContact CD2-CG2 3.81Å; F457-V517 HydrophobicContact CE1-CG2 3.96Å; F457-V517 HydrophobicContact CE2-CG2 4.27Å; F457-V517 HydrophobicContact CG-CG2 3.37Å; F457-V517 HydrophobicContact CZ-CG2 4.34Å |
| 458 | A | 80.2 | Confident | 75.5 | Confident | 82 Ų | 82 | 67 Ų | 67 | 68% | 0.678 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -72.6 | -32.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I454 M455 G460 | I454-A458 PolarHBondContact O-N 3.47Å; M455-A458 PolarHBondContact O-N 2.99Å; M455-A458 VanDerWaalsContact O-N 3.08Å; A458-G460 VanDerWaalsContact C-N 3.3Å; A458-G460 PolarHBondContact O-N 3.29Å |
| 459 | E | 70.4 | Confident | 75.3 | Confident | 96 Ų | 96 | 66.8 Ų | 66.8 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -8.8 | -174.8 | -71.2 | -176.9 | 164.3 | 0 | 0 | 114.8 | M455 K463 | M455-E459 PolarHBondContact O-N 3.01Å; M455-E459 VanDerWaalsContact O-N 3.13Å; E459-K463 HydrophobicContact CB-CB 4.46Å |
| 460 | G | 58.9 | Low | 75.2 | Confident | 35 Ų | 35 | 68.3 Ų | 68.3 | 36% | 0.361 | 35% | 0.347 | S | S | . | . | trans | 75.4 | 159 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A458 E462 K463 | A458-G460 VanDerWaalsContact C-N 3.3Å; A458-G460 PolarHBondContact O-N 3.29Å; G460-E462 PolarHBondContact O-N 3.4Å; G460-K463 PolarHBondContact O-N 3.1Å | ||
| 461 | A | 51 | Low | 75.3 | Confident | 72 Ų | 72 | 69 Ų | 69 | 60% | 0.595 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -63.6 | -23.6 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 462 | E | 47 | Very low | 75.5 | Confident | 199 Ų | 199 | 66.4 Ų | 66.4 | 93% | 0.93 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -82.1 | -10.9 | -175 | -65.9 | -173.1 | 162.5 | 0 | 0 | 114.2 | G460 | G460-E462 PolarHBondContact O-N 3.4Š|
| 463 | K | 50.4 | Low | 75.7 | Confident | 152 Ų | 152 | 66.5 Ų | 66.5 | 66% | 0.661 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -109.3 | 14.8 | 176.6 | -72.9 | -177.8 | 178.8 | 176.3 | 0 | 114.1 | E459 G460 E465 | E459-K463 HydrophobicContact CB-CB 4.46Å; G460-K463 PolarHBondContact O-N 3.1Å; K463-E465 PolarHBondContact O-N 2.8Å |
| 464 | R | 54.8 | Low | 75.9 | Confident | 115 Ų | 115 | 68 Ų | 68 | 43% | 0.434 | 35% | 0.347 | S | S | . | . | trans | -70 | 60.1 | -179.2 | -71.4 | 179.4 | 178.5 | -173 | -3.5 | 113.2 | L466 E520 | R464-L466 VanDerWaalsContact C-N 3.31Å; R464-E520 IonicContact CZ-OE1 2.68Å; R464-E520 IonicContact NH2-OE1 2.78Å; R464-E520 PolarHBondContact NH2-OE1 3.31Å | ||
| 465 | E | 54.9 | Low | 76.3 | Confident | 148 Ų | 148 | 64.6 Ų | 64.6 | 69% | 0.692 | 33% | 0.33 | S | S | * | . | trans | -80.3 | -18.6 | 171 | -68.9 | -168.8 | 162.7 | 0 | 0 | 111.9 | K463 | K463-E465 PolarHBondContact O-N 2.8Š| ||
| 466 | L | 63.8 | Low | 76.8 | Confident | 40 Ų | 40 | 63.1 Ų | 63.1 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | trans | -117 | 104.5 | -172.9 | -75 | 151.8 | 0 | 0 | 0 | 111.2 | V380 C384 R464 L468 | V380-L466 HydrophobicContact CG1-CD1 3.69Å; V380-L466 HydrophobicContact CG1-CD2 3.58Å; V380-L466 HydrophobicContact CG1-CG 4.23Å; C384-L466 HydrophobicContact CB-CD2 4.46Å; C384-L466 WeakPolarHBondContact SG-CD2 3.38Å; R464-L466 VanDerWaalsContact C-N 3.31Å; L466-L468 PolarHBondContact O-N 2.82Å; L466-L468 VanDerWaalsContact O-N 3.1Å | ||
| 467 | Y | 79.6 | Confident | 77.3 | Confident | 153 Ų | 153 | 62.5 Ų | 62.5 | 60% | 0.6 | 32% | 0.32 | S | S | * | . | trans | -83.5 | 50.3 | 172.6 | -62.7 | -86.4 | 0 | 0 | 0 | 111.1 | D470 T471 | Y467-D470 WeakPolarHBondContact CD1-OD2 3.11Å; Y467-T471 WeakPolarHBondContact O-CB 3.42Å; Y467-T471 PolarHBondContact O-N 3.05Å; Y467-T471 VanDerWaalsContact O-N 3.1Å; Y467-T471 PolarHBondContact O-OG1 2.89Å | ||
| 468 | L | 89.2 | Confident | 78 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.1 | -48.8 | -172.2 | 179.6 | 61.3 | 0 | 0 | 0 | 110.6 | I358 C361 L362 L387 A452 E456 L466 D470 T471 L472 | I358-L468 HydrophobicContact CG2-CD2 4.48Å; C361-L468 HydrophobicContact CB-CD2 3.8Å; L362-L468 HydrophobicContact CD2-CD2 3.72Å; L362-L468 HydrophobicContact CG-CD2 3.97Å; L387-L468 HydrophobicContact CD1-CD1 3.65Å; A452-L468 HydrophobicContact CB-CD2 4.12Å; A452-L468 HydrophobicContact CB-CG 4.18Å; E456-L468 PolarHBondContact OE1-N 3.47Å; L466-L468 PolarHBondContact O-N 2.82Å; L466-L468 VanDerWaalsContact O-N 3.1Å; L468-D470 VanDerWaalsContact C-N 3.28Å; L468-D470 PolarHBondContact O-N 3.07Å; L468-T471 WeakPolarHBondContact O-CB 3.34Å; L468-T471 PolarHBondContact O-N 3.47Å; L468-T471 VanDerWaalsContact O-N 3.13Å; L468-L472 HydrophobicContact CD1-CD1 4.37Å; L468-L472 HydrophobicContact CD1-CG 4.27Å; L468-L472 HydrophobicContact CG-CD1 4.21Å; L468-L472 HydrophobicContact CG-CG 4.46Å; L468-L472 VanDerWaalsContact O-CG 3.31Å; L468-L472 WeakPolarHBondContact O-CG 3.37Å; L468-L472 PolarHBondContact O-N 2.9Å |
| 469 | A | 90.3 | Very high | 78.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59 | -41.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L449 A452 E456 T471 L472 L473 | L449-A469 HydrophobicContact CD1-CB 4.37Å; A452-A469 HydrophobicContact CB-CB 4.23Å; E456-A469 WeakPolarHBondContact OE1-CB 3.47Å; E456-A469 PolarHBondContact OE1-N 2.75Å; E456-A469 VanDerWaalsContact OE2-CB 3.31Å; E456-A469 WeakPolarHBondContact OE2-CB 3.45Å; A469-T471 PolarHBondContact O-N 3.34Å; A469-L472 PolarHBondContact O-N 3.5Å; A469-L473 WeakPolarHBondContact O-CB 3.48Å; A469-L473 VanDerWaalsContact O-CG 3.28Å; A469-L473 WeakPolarHBondContact O-CG 3.25Å; A469-L473 PolarHBondContact O-N 3.43Å |
| 470 | D | 90.9 | Very high | 79.8 | Confident | 35 Ų | 35 | 49.4 Ų | 49.4 | 19% | 0.187 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 175.5 | -66.2 | -56 | 0 | 0 | 0 | 111.9 | Y467 L468 L472 L473 D474 R524 | Y467-D470 WeakPolarHBondContact CD1-OD2 3.11Å; L468-D470 VanDerWaalsContact C-N 3.28Å; L468-D470 PolarHBondContact O-N 3.07Å; D470-L472 VanDerWaalsContact C-N 3.32Å; D470-L472 PolarHBondContact O-N 3.2Å; D470-L473 PolarHBondContact O-N 3.35Å; D470-D474 WeakPolarHBondContact O-CB 3.5Å; D470-D474 PolarHBondContact O-N 3.4Å; D470-R524 WeakPolarHBondContact OD1-CB 3.49Å; D470-R524 WeakPolarHBondContact OD1-CD 3.36Å |
| 471 | T | 92.3 | Very high | 81.4 | Confident | 33 Ų | 33 | 47.8 Ų | 47.8 | 20% | 0.202 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62 | -40.8 | 176.7 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | L387 L391 Y467 L468 A469 L475 | L387-T471 HydrophobicContact CB-CG2 4.11Å; L391-T471 HydrophobicContact CD2-CG2 4.11Å; Y467-T471 WeakPolarHBondContact O-CB 3.42Å; Y467-T471 PolarHBondContact O-N 3.05Å; Y467-T471 VanDerWaalsContact O-N 3.1Å; Y467-T471 PolarHBondContact O-OG1 2.89Å; L468-T471 WeakPolarHBondContact O-CB 3.34Å; L468-T471 PolarHBondContact O-N 3.47Å; L468-T471 VanDerWaalsContact O-N 3.13Å; A469-T471 PolarHBondContact O-N 3.34Å; T471-L475 WeakPolarHBondContact O-CB 3.13Å; T471-L475 PolarHBondContact O-N 2.77Å |
| 472 | L | 94.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.1 | -36.9 | 177.5 | -63.6 | -178.2 | 0 | 0 | 0 | 112.7 | I358 L445 L449 A452 L468 A469 D470 L475 L476 | I358-L472 HydrophobicContact CD1-CD2 3.43Å; I358-L472 VanDerWaalsContact CD1-CD2 3.43Å; I358-L472 HydrophobicContact CG1-CD2 3.81Å; I358-L472 HydrophobicContact CG2-CD1 4Å; L445-L472 HydrophobicContact CD1-CD2 3.81Å; L449-L472 HydrophobicContact CB-CB 4.32Å; L449-L472 HydrophobicContact CB-CD1 4.39Å; L449-L472 HydrophobicContact CD1-CB 3.87Å; A452-L472 HydrophobicContact CB-CD1 4.06Å; L468-L472 HydrophobicContact CD1-CD1 4.37Å; L468-L472 HydrophobicContact CD1-CG 4.27Å; L468-L472 HydrophobicContact CG-CD1 4.21Å; L468-L472 HydrophobicContact CG-CG 4.46Å; L468-L472 VanDerWaalsContact O-CG 3.31Å; L468-L472 WeakPolarHBondContact O-CG 3.37Å; L468-L472 PolarHBondContact O-N 2.9Å; A469-L472 PolarHBondContact O-N 3.5Å; D470-L472 VanDerWaalsContact C-N 3.32Å; D470-L472 PolarHBondContact O-N 3.2Å; L472-L475 WeakPolarHBondContact O-CB 3.45Å; L472-L475 PolarHBondContact O-N 2.89Å; L472-L476 WeakPolarHBondContact O-CB 3.4Å; L472-L476 PolarHBondContact O-N 2.96Å |
| 473 | L | 94.2 | Very high | 85.5 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 173 | -78.8 | 175 | 0 | 0 | 0 | 111.8 | L449 A469 D470 L476 S477 L521 R524 V525 | L449-L473 HydrophobicContact CD1-CD2 3.95Å; L449-L473 HydrophobicContact CD1-CG 3.73Å; L449-L473 HydrophobicContact CD2-CD2 3.63Å; L449-L473 HydrophobicContact CD2-CG 4.33Å; L449-L473 HydrophobicContact CG-CD2 4.39Å; A469-L473 WeakPolarHBondContact O-CB 3.48Å; A469-L473 VanDerWaalsContact O-CG 3.28Å; A469-L473 WeakPolarHBondContact O-CG 3.25Å; A469-L473 PolarHBondContact O-N 3.43Å; D470-L473 PolarHBondContact O-N 3.35Å; L473-L476 PolarHBondContact O-N 3.23Å; L473-S477 VanDerWaalsContact O-CB 3.25Å; L473-S477 WeakPolarHBondContact O-CB 3.42Å; L473-S477 PolarHBondContact O-N 3.09Å; L473-S477 PolarHBondContact O-OG 2.94Å; L473-L521 HydrophobicContact CD1-CD1 4.14Å; L473-L521 HydrophobicContact CD2-CD1 4.08Å; L473-L521 HydrophobicContact CG-CD1 4.37Å; L473-R524 HydrophobicContact CD1-CB 3.56Å; L473-V525 HydrophobicContact CD2-CG2 4.02Å |
| 474 | D | 93.6 | Very high | 87.4 | Confident | 36 Ų | 36 | 27.8 Ų | 27.8 | 19% | 0.193 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.6 | -41.9 | 174.3 | -94.8 | 12.6 | 0 | 0 | 0 | 111.1 | L391 K395 D470 S477 V478 H526 | L391-D474 HydrophobicContact CD1-CB 4.08Å; L391-D474 HydrophobicContact CD2-CB 3.64Å; L391-D474 HydrophobicContact CG-CB 4.48Å; K395-D474 IonicContact NZ-OD2 3.35Å; K395-D474 PolarHBondContact NZ-OD2 3.13Å; D470-D474 WeakPolarHBondContact O-CB 3.5Å; D470-D474 PolarHBondContact O-N 3.4Å; D474-S477 WeakPolarHBondContact O-CB 3.33Å; D474-S477 PolarHBondContact O-N 3.47Å; D474-V478 WeakPolarHBondContact O-CG2 3.32Å; D474-V478 PolarHBondContact O-N 3.48Å; D474-H526 IonicContact OD1-ND1 3.25Å; D474-H526 PolarHBondContact OD1-ND1 3.47Å |
| 475 | L | 95.1 | Very high | 88.9 | Confident | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.042 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.6 | -52.4 | 174.4 | -179.4 | 62.2 | 0 | 0 | 0 | 110.7 | L391 L394 F428 L445 T471 L472 S477 V478 L479 | L391-L475 HydrophobicContact CD1-CB 4.28Å; L394-L475 HydrophobicContact CD1-CD1 3.27Å; F428-L475 HydrophobicContact CE1-CD2 4.45Å; F428-L475 HydrophobicContact CE2-CD1 4.46Å; F428-L475 HydrophobicContact CZ-CD1 4Å; F428-L475 HydrophobicContact CZ-CD2 4.06Å; F428-L475 HydrophobicContact CZ-CG 4.28Å; L445-L475 HydrophobicContact CD1-CD2 3.86Å; L445-L475 HydrophobicContact CD2-CD2 3.99Å; L445-L475 HydrophobicContact CD2-CG 4.07Å; T471-L475 WeakPolarHBondContact O-CB 3.13Å; T471-L475 PolarHBondContact O-N 2.77Å; L472-L475 WeakPolarHBondContact O-CB 3.45Å; L472-L475 PolarHBondContact O-N 2.89Å; L475-S477 VanDerWaalsContact C-N 3.27Å; L475-S477 PolarHBondContact O-N 3.37Å; L475-V478 PolarHBondContact O-N 3.28Å; L475-V478 VanDerWaalsContact O-N 3.15Å; L475-L479 HydrophobicContact CG-CD1 4.38Å; L475-L479 VanDerWaalsContact O-CG 3.3Å; L475-L479 WeakPolarHBondContact O-CG 3.26Å; L475-L479 PolarHBondContact O-N 2.82Å |
| 476 | L | 96 | Very high | 90.3 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.9 | -41.3 | 176.6 | -179.3 | 63.7 | 0 | 0 | 0 | 111.6 | V442 L445 L446 L449 L472 L473 V478 L479 V480 L530 | V442-L476 HydrophobicContact CG1-CD1 4.4Å; L445-L476 HydrophobicContact CD2-CB 4.39Å; L446-L476 HydrophobicContact CD2-CD1 4.03Å; L446-L476 HydrophobicContact CD2-CD2 3.48Å; L446-L476 VanDerWaalsContact CD2-CD2 3.48Å; L446-L476 HydrophobicContact CD2-CG 4.42Å; L449-L476 HydrophobicContact CD2-CD2 4.06Å; L472-L476 WeakPolarHBondContact O-CB 3.4Å; L472-L476 PolarHBondContact O-N 2.96Å; L473-L476 PolarHBondContact O-N 3.23Å; L476-V478 PolarHBondContact O-N 3.39Å; L476-L479 PolarHBondContact O-N 3.39Å; L476-V480 HydrophobicContact CD1-CG2 4.06Å; L476-V480 HydrophobicContact CG-CG2 4.35Å; L476-V480 WeakPolarHBondContact O-CB 3.32Å; L476-V480 VanDerWaalsContact O-CG2 3.31Å; L476-V480 WeakPolarHBondContact O-CG2 3.35Å; L476-V480 PolarHBondContact O-N 3.02Å; L476-L530 HydrophobicContact CB-CD2 4.32Å; L476-L530 HydrophobicContact CD2-CD1 4.19Å; L476-L530 HydrophobicContact CD2-CD2 3.88Å; L476-L530 HydrophobicContact CG-CD1 4.36Å; L476-L530 HydrophobicContact CG-CD2 3.84Å |
| 477 | S | 95.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.014 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 176.4 | -67.1 | 0 | 0 | 0 | 0 | 112 | L236 L473 D474 L475 E481 S527 L530 | L236-S477 WeakPolarHBondContact CD1-O 3.07Å; L473-S477 VanDerWaalsContact O-CB 3.25Å; L473-S477 WeakPolarHBondContact O-CB 3.42Å; L473-S477 PolarHBondContact O-N 3.09Å; L473-S477 PolarHBondContact O-OG 2.94Å; D474-S477 WeakPolarHBondContact O-CB 3.33Å; D474-S477 PolarHBondContact O-N 3.47Å; L475-S477 VanDerWaalsContact C-N 3.27Å; L475-S477 PolarHBondContact O-N 3.37Å; S477-E481 VanDerWaalsContact O-CB 3.3Å; S477-E481 WeakPolarHBondContact O-CB 3.43Å; S477-E481 PolarHBondContact O-N 3.49Å; S477-S527 WeakPolarHBondContact OG-CB 3.19Å; S477-L530 WeakPolarHBondContact OG-CD2 3.14Å |
| 478 | V | 94.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.006 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 175.9 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | F238 L391 L394 K395 L398 I424 D474 L475 L476 E481 F482 | F238-V478 HydrophobicContact CE2-CG2 4.46Å; F238-V478 HydrophobicContact CZ-CG2 4.1Å; L391-V478 HydrophobicContact CD1-CG2 4.28Å; L394-V478 HydrophobicContact CB-CG1 4.09Å; K395-V478 HydrophobicContact CG-CG2 3.67Å; L398-V478 HydrophobicContact CB-CG1 4.12Å; L398-V478 HydrophobicContact CD2-CB 4.3Å; L398-V478 HydrophobicContact CD2-CG1 4.01Å; L398-V478 HydrophobicContact CD2-CG2 4.35Å; I424-V478 HydrophobicContact CD1-CG1 4.42Å; D474-V478 WeakPolarHBondContact O-CG2 3.32Å; D474-V478 PolarHBondContact O-N 3.48Å; L475-V478 PolarHBondContact O-N 3.28Å; L475-V478 VanDerWaalsContact O-N 3.15Å; L476-V478 PolarHBondContact O-N 3.39Å; V478-E481 PolarHBondContact O-N 3.1Å; V478-F482 WeakPolarHBondContact O-CB 3.4Å; V478-F482 PolarHBondContact O-N 2.9Å |
| 479 | L | 95 | Very high | 90.8 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.3 | -48.6 | -179.7 | -66.1 | 179 | 0 | 0 | 0 | 112.4 | I424 F428 W429 V442 L445 L475 L476 F482 W483 | I424-L479 HydrophobicContact CG2-CD2 3.66Å; F428-L479 HydrophobicContact CB-CD2 4.38Å; F428-L479 HydrophobicContact CD1-CD1 3.53Å; F428-L479 HydrophobicContact CD1-CD2 4.25Å; F428-L479 HydrophobicContact CD2-CD1 4.19Å; F428-L479 HydrophobicContact CD2-CD2 3.37Å; F428-L479 HydrophobicContact CD2-CG 4.41Å; F428-L479 HydrophobicContact CE1-CD1 3.52Å; F428-L479 HydrophobicContact CE1-CD2 4.41Å; F428-L479 HydrophobicContact CE2-CD1 4.2Å; F428-L479 HydrophobicContact CE2-CD2 3.59Å; F428-L479 HydrophobicContact CE2-CG 4.44Å; F428-L479 HydrophobicContact CG-CD1 3.89Å; F428-L479 HydrophobicContact CG-CD2 3.74Å; F428-L479 HydrophobicContact CG-CG 4.48Å; F428-L479 HydrophobicContact CZ-CD1 3.89Å; F428-L479 HydrophobicContact CZ-CD2 4.12Å; W429-L479 HydrophobicContact CH2-CB 4.12Å; W429-L479 HydrophobicContact CH2-CD2 4.21Å; W429-L479 HydrophobicContact CZ3-CD2 4.05Å; V442-L479 HydrophobicContact CG2-CD1 4.5Å; L445-L479 HydrophobicContact CD2-CD1 3.61Å; L475-L479 HydrophobicContact CG-CD1 4.38Å; L475-L479 VanDerWaalsContact O-CG 3.3Å; L475-L479 WeakPolarHBondContact O-CG 3.26Å; L475-L479 PolarHBondContact O-N 2.82Å; L476-L479 PolarHBondContact O-N 3.39Å; L479-F482 PolarHBondContact O-N 3.47Å; L479-W483 WeakPolarHBondContact O-CB 3.44Å; L479-W483 PolarHBondContact O-N 3.41Å |
| 480 | V | 94.6 | Very high | 90 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 179 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | L437 L476 C484 L499 L502 L530 | L437-V480 HydrophobicContact CD1-CG2 4.33Å; L437-V480 HydrophobicContact CD2-CG2 4.36Å; L476-V480 HydrophobicContact CD1-CG2 4.06Å; L476-V480 HydrophobicContact CG-CG2 4.35Å; L476-V480 WeakPolarHBondContact O-CB 3.32Å; L476-V480 VanDerWaalsContact O-CG2 3.31Å; L476-V480 WeakPolarHBondContact O-CG2 3.35Å; L476-V480 PolarHBondContact O-N 3.02Å; V480-C484 VanDerWaalsContact O-CB 3.31Å; V480-C484 WeakPolarHBondContact O-CB 3.45Å; V480-C484 PolarHBondContact O-N 2.99Å; V480-C484 PolarHBondContact O-SG 3.39Å; V480-L499 HydrophobicContact CG1-CD2 3.79Å; V480-L502 HydrophobicContact CG2-CD2 3.72Å; V480-L530 HydrophobicContact CG2-CD1 4.25Å |
| 481 | E | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.5 | -47.3 | 178.5 | -170.3 | 60.6 | -152 | 0 | 0 | 111.4 | P234 R235 L236 L398 S477 V478 W483 C484 Q485 R529 | P234-E481 WeakPolarHBondContact CA-OE1 3.46Å; R235-E481 PolarHBondContact N-OE1 3.35Å; L236-E481 HydrophobicContact CB-CG 4.32Å; L236-E481 HydrophobicContact CD1-CB 3.94Å; L236-E481 HydrophobicContact CD1-CG 4.34Å; L236-E481 HydrophobicContact CG-CB 4.39Å; L236-E481 HydrophobicContact CG-CG 4.29Å; L398-E481 HydrophobicContact CD1-CG 4.22Å; L398-E481 HydrophobicContact CD2-CB 3.87Å; L398-E481 HydrophobicContact CD2-CG 3.98Å; S477-E481 VanDerWaalsContact O-CB 3.3Å; S477-E481 WeakPolarHBondContact O-CB 3.43Å; S477-E481 PolarHBondContact O-N 3.49Å; V478-E481 PolarHBondContact O-N 3.1Å; E481-W483 PolarHBondContact O-N 3.28Å; E481-C484 PolarHBondContact O-N 2.59Å; E481-Q485 HydrophobicContact CG-CG 4.46Å; E481-Q485 VanDerWaalsContact O-CG 3.28Å; E481-Q485 WeakPolarHBondContact O-CG 3.29Å; E481-Q485 PolarHBondContact O-N 3.06Å; E481-Q485 PolarHBondContact OE1-NE2 3.16Å; E481-R529 IonicContact OE1-CZ 3.43Å; E481-R529 IonicContact OE1-NH1 3.89Å; E481-R529 PolarHBondContact OE1-NH1 3.34Å; E481-R529 VanDerWaalsContact OE1-NH1 3.08Å; E481-R529 IonicContact OE2-CZ 3.03Å; E481-R529 IonicContact OE2-NH1 2.66Å; E481-R529 PolarHBondContact OE2-NH1 2.98Å |
| 482 | F | 91.4 | Very high | 89 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.7 | -51.5 | 177.7 | 175.6 | -93.9 | 0 | 0 | 0 | 111.8 | L398 V401 S422 I424 Y425 V478 L479 C484 Q485 Q486 | L398-F482 HydrophobicContact CD1-CB 4.01Å; L398-F482 HydrophobicContact CD1-CD2 4.45Å; V401-F482 HydrophobicContact CG2-CD2 4.08Å; V401-F482 HydrophobicContact CG2-CE2 3.78Å; S422-F482 WeakPolarHBondContact OG-CZ 3.49Å; I424-F482 HydrophobicContact CB-CD1 4.19Å; I424-F482 HydrophobicContact CB-CE1 4.02Å; I424-F482 HydrophobicContact CB-CZ 4.2Å; I424-F482 HydrophobicContact CD1-CB 4.16Å; I424-F482 HydrophobicContact CD1-CD1 4.27Å; I424-F482 HydrophobicContact CD1-CD2 3.51Å; I424-F482 HydrophobicContact CD1-CE2 3.87Å; I424-F482 HydrophobicContact CD1-CG 3.73Å; I424-F482 HydrophobicContact CD1-CZ 4.39Å; I424-F482 HydrophobicContact CG2-CD1 3.5Å; I424-F482 HydrophobicContact CG2-CE1 3.69Å; I424-F482 HydrophobicContact CG2-CG 4.03Å; I424-F482 HydrophobicContact CG2-CZ 4.36Å; Y425-F482 AromaticContact CD2-CE1 3.53Å; Y425-F482 HydrophobicContact CD2-CE1 3.53Å; Y425-F482 AromaticContact CD2-CZ 3.71Å; Y425-F482 HydrophobicContact CD2-CZ 3.71Å; Y425-F482 HydrophobicContact CE1-CE1 4.48Å; Y425-F482 AromaticContact CE2-CE1 3.4Å; Y425-F482 HydrophobicContact CE2-CE1 3.4Å; Y425-F482 AromaticContact CE2-CZ 3.73Å; Y425-F482 HydrophobicContact CE2-CZ 3.73Å; Y425-F482 HydrophobicContact CG-CE1 4.15Å; Y425-F482 AromaticContact CZ-CE1 3.91Å; V478-F482 WeakPolarHBondContact O-CB 3.4Å; V478-F482 PolarHBondContact O-N 2.9Å; L479-F482 PolarHBondContact O-N 3.47Å; F482-C484 PolarHBondContact O-N 3.5Å; F482-Q485 PolarHBondContact O-N 2.89Å; F482-Q486 HydrophobicContact CD1-CG 4.34Å; F482-Q486 HydrophobicContact CE1-CG 4.01Å; F482-Q486 HydrophobicContact CE2-CG 4.32Å; F482-Q486 HydrophobicContact CZ-CG 3.99Å; F482-Q486 WeakPolarHBondContact O-CG 3.34Å; F482-Q486 PolarHBondContact O-N 2.93Å |
| 483 | W | 92.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.4 | -42.9 | -178.2 | -174.4 | 92.7 | 0 | 0 | 0 | 111.4 | W429 R434 L437 L479 E481 Q485 Q486 H487 L494 V495 | W429-W483 HydrophobicContact CH2-CB 4.35Å; W429-W483 HydrophobicContact CZ2-CB 4.36Å; W429-W483 AromaticContact CZ2-CD1 3.93Å; W429-W483 HydrophobicContact CZ2-CG 4.32Å; R434-W483 PolarHBondContact O-NE1 2.95Å; L437-W483 HydrophobicContact CB-CD2 3.9Å; L437-W483 HydrophobicContact CB-CE3 3.83Å; L437-W483 HydrophobicContact CB-CH2 4.1Å; L437-W483 HydrophobicContact CB-CZ2 4.2Å; L437-W483 HydrophobicContact CB-CZ3 3.9Å; L437-W483 HydrophobicContact CD1-CB 3.65Å; L437-W483 HydrophobicContact CD1-CD2 3.72Å; L437-W483 HydrophobicContact CD1-CE3 3.76Å; L437-W483 HydrophobicContact CD1-CG 3.66Å; L437-W483 HydrophobicContact CD2-CE3 4.33Å; L437-W483 HydrophobicContact CG-CD2 4.37Å; L437-W483 HydrophobicContact CG-CE3 4.19Å; L479-W483 WeakPolarHBondContact O-CB 3.44Å; L479-W483 PolarHBondContact O-N 3.41Å; E481-W483 PolarHBondContact O-N 3.28Å; W483-Q485 PolarHBondContact O-N 2.9Å; W483-Q486 PolarHBondContact O-N 3.36Å; W483-H487 AromaticContact CD1-CD2 3.67Å; W483-H487 AromaticContact CD1-NE2 3.88Å; W483-H487 AromaticContact CD2-CD2 3.8Å; W483-H487 AromaticContact CE2-CD2 3.44Å; W483-H487 VanDerWaalsContact CE2-CD2 3.44Å; W483-H487 AromaticContact CE2-NE2 3.98Å; W483-H487 AromaticContact CG-CD2 3.92Å; W483-H487 AromaticContact CZ2-CD2 3.97Å; W483-H487 AromaticContact NE1-CD2 3.33Å; W483-H487 PolarHBondContact NE1-CD2 3.09Å; W483-H487 VanDerWaalsContact NE1-CD2 3.33Å; W483-H487 AromaticContact NE1-NE2 3.44Å; W483-H487 PolarHBondContact NE1-NE2 3.2Å; W483-H487 PolarHBondContact O-CD2 2.95Å; W483-H487 VanDerWaalsContact O-CD2 3.31Å; W483-H487 PolarHBondContact O-N 3.49Å; W483-L494 HydrophobicContact CH2-CG 4.14Å; W483-L494 WeakPolarHBondContact CH2-O 3.43Å; W483-L494 HydrophobicContact CZ2-CD2 4.4Å; W483-L494 HydrophobicContact CZ2-CG 4.28Å; W483-V495 HydrophobicContact CZ3-CB 4.3Å; W483-V495 HydrophobicContact CZ3-CG1 4.36Å; W483-V495 HydrophobicContact CZ3-CG2 4.18Å |
| 484 | C | 90.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 175.3 | -70 | 0 | 0 | 0 | 0 | 111.4 | V480 E481 F482 Q486 H487 F488 V495 R529 | V480-C484 VanDerWaalsContact O-CB 3.31Å; V480-C484 WeakPolarHBondContact O-CB 3.45Å; V480-C484 PolarHBondContact O-N 2.99Å; V480-C484 PolarHBondContact O-SG 3.39Å; E481-C484 PolarHBondContact O-N 2.59Å; F482-C484 PolarHBondContact O-N 3.5Å; C484-Q486 VanDerWaalsContact C-N 3.34Å; C484-Q486 PolarHBondContact O-N 2.95Å; C484-H487 PolarHBondContact O-N 3.49Å; C484-F488 WeakPolarHBondContact O-CB 3.42Å; C484-F488 PolarHBondContact O-N 3.23Å; C484-V495 HydrophobicContact CB-CG1 4.08Å; C484-R529 VanDerWaalsContact CB-NH1 3.26Å |
| 485 | Q | 86.5 | Confident | 88 | Confident | 13 Ų | 13 | 31.6 Ų | 31.6 | 6% | 0.061 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.4 | -37.6 | 179.7 | -68.5 | -56.4 | -31.9 | 0 | 0 | 113.1 | G232 R233 V401 E481 F482 W483 | G232-Q485 PolarHBondContact O-OE1 3.04Å; R233-Q485 PolarHBondContact O-NE2 3.35Å; V401-Q485 HydrophobicContact CG1-CB 4.26Å; E481-Q485 HydrophobicContact CG-CG 4.46Å; E481-Q485 VanDerWaalsContact O-CG 3.28Å; E481-Q485 WeakPolarHBondContact O-CG 3.29Å; E481-Q485 PolarHBondContact O-N 3.06Å; E481-Q485 PolarHBondContact OE1-NE2 3.16Å; F482-Q485 PolarHBondContact O-N 2.89Å; W483-Q485 PolarHBondContact O-N 2.9Å |
| 486 | Q | 84.9 | Confident | 87.6 | Confident | 58 Ų | 58 | 35.7 Ų | 35.7 | 27% | 0.271 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -68.4 | -42.2 | 178 | -67.4 | -61 | -34.3 | 0 | 0 | 112.2 | Y425 F482 W483 C484 | Y425-Q486 HydrophobicContact CE2-CG 4.08Å; Y425-Q486 WeakPolarHBondContact OH-CB 3.3Å; F482-Q486 HydrophobicContact CD1-CG 4.34Å; F482-Q486 HydrophobicContact CE1-CG 4.01Å; F482-Q486 HydrophobicContact CE2-CG 4.32Å; F482-Q486 HydrophobicContact CZ-CG 3.99Å; F482-Q486 WeakPolarHBondContact O-CG 3.34Å; F482-Q486 PolarHBondContact O-N 2.93Å; W483-Q486 PolarHBondContact O-N 3.36Å; C484-Q486 VanDerWaalsContact C-N 3.34Å; C484-Q486 PolarHBondContact O-N 2.95Å |
| 487 | H | 86 | Confident | 87.3 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -92.6 | -21.1 | -173.4 | -70.4 | -78.4 | 0 | 0 | 0 | 113.9 | Y425 R434 W483 C484 K489 L490 N491 L494 V495 | Y425-H487 PolarHBondContact OH-CD2 3.48Å; Y425-H487 PolarHBondContact OH-NE2 2.81Å; R434-H487 PolarHBondContact O-CE1 3.24Å; R434-H487 PolarHBondContact O-NE2 3.17Å; W483-H487 AromaticContact CD1-CD2 3.67Å; W483-H487 AromaticContact CD1-NE2 3.88Å; W483-H487 AromaticContact CD2-CD2 3.8Å; W483-H487 AromaticContact CE2-CD2 3.44Å; W483-H487 VanDerWaalsContact CE2-CD2 3.44Å; W483-H487 AromaticContact CE2-NE2 3.98Å; W483-H487 AromaticContact CG-CD2 3.92Å; W483-H487 AromaticContact CZ2-CD2 3.97Å; W483-H487 AromaticContact NE1-CD2 3.33Å; W483-H487 PolarHBondContact NE1-CD2 3.09Å; W483-H487 VanDerWaalsContact NE1-CD2 3.33Å; W483-H487 AromaticContact NE1-NE2 3.44Å; W483-H487 PolarHBondContact NE1-NE2 3.2Å; W483-H487 PolarHBondContact O-CD2 2.95Å; W483-H487 VanDerWaalsContact O-CD2 3.31Å; W483-H487 PolarHBondContact O-N 3.49Å; C484-H487 PolarHBondContact O-N 3.49Å; H487-K489 VanDerWaalsContact C-N 3.29Å; H487-K489 PolarHBondContact O-N 2.9Å; H487-L490 PolarHBondContact O-N 3.37Å; H487-N491 CarbonylContact O-C 3.31Å; H487-N491 PolarHBondContact O-N 2.82Å; H487-L494 HydrophobicContact CB-CD2 4.49Å; H487-V495 HydrophobicContact CB-CG2 3.82Å |
| 488 | F | 82.9 | Confident | 87.1 | Confident | 24 Ų | 24 | 41.7 Ų | 41.7 | 11% | 0.105 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.3 | -37.6 | -178.9 | -174 | -93.3 | 0 | 0 | 0 | 112.8 | V228 E231 C484 L490 Q492 V495 | V228-F488 HydrophobicContact CG1-CE1 4.29Å; V228-F488 HydrophobicContact CG1-CZ 4.29Å; V228-F488 WeakPolarHBondContact O-CZ 3.38Å; E231-F488 HydrophobicContact CB-CE2 3.57Å; E231-F488 HydrophobicContact CB-CZ 3.68Å; C484-F488 WeakPolarHBondContact O-CB 3.42Å; C484-F488 PolarHBondContact O-N 3.23Å; F488-L490 VanDerWaalsContact C-N 3.3Å; F488-Q492 HydrophobicContact CD2-CG 3.97Å; F488-Q492 HydrophobicContact CE1-CG 4.45Å; F488-Q492 HydrophobicContact CE2-CG 3.82Å; F488-Q492 HydrophobicContact CG-CG 4.35Å; F488-Q492 HydrophobicContact CZ-CG 4.08Å; F488-Q492 VanDerWaalsContact O-CG 3.3Å; F488-Q492 WeakPolarHBondContact O-CG 3.05Å; F488-V495 HydrophobicContact CB-CG2 4.31Å |
| 489 | K | 72.9 | Confident | 87 | Confident | 146 Ų | 146 | 43 Ų | 43 | 64% | 0.635 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -20.9 | 176.6 | -66.3 | 179.4 | -177.1 | 172 | 0 | 112.8 | D405 H487 | D405-K489 IonicContact OD1-NZ 3.77Å; D405-K489 IonicContact OD2-NZ 3.53Å; D405-K489 PolarHBondContact OD2-NZ 3.09Å; H487-K489 VanDerWaalsContact C-N 3.29Å; H487-K489 PolarHBondContact O-N 2.9Å |
| 490 | L | 74.1 | Confident | 86.8 | Confident | 139 Ų | 139 | 48.5 Ų | 48.5 | 73% | 0.728 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -48.3 | -176.1 | -66.4 | 171.8 | 0 | 0 | 0 | 112.2 | H487 F488 | H487-L490 PolarHBondContact O-N 3.37Å; F488-L490 VanDerWaalsContact C-N 3.3Å |
| 491 | N | 80.8 | Confident | 86.7 | Confident | 71 Ų | 71 | 50.8 Ų | 50.8 | 38% | 0.38 | 25% | 0.25 | S | S | . | . | trans | -158.1 | 108.2 | -179.6 | -174 | -12.9 | 0 | 0 | 0 | 110.5 | H487 S493 L494 | H487-N491 CarbonylContact O-C 3.31Å; H487-N491 PolarHBondContact O-N 2.82Å; N491-S493 PolarHBondContact OD1-N 3.36Å; N491-S493 VanDerWaalsContact OD1-N 3.1Å; N491-S493 PolarHBondContact OD1-OG 3.01Å; N491-L494 HydrophobicContact CB-CB 3.94Å; N491-L494 WeakPolarHBondContact O-CB 3.42Å; N491-L494 PolarHBondContact O-N 3.01Å; N491-L494 PolarHBondContact OD1-N 3.05Å | ||
| 492 | Q | 80.9 | Confident | 86.8 | Confident | 53 Ų | 53 | 50.8 Ų | 50.8 | 25% | 0.248 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.1 | -37.8 | -179.6 | -66.2 | 171.8 | -9.7 | 0 | 0 | 112.9 | F488 L494 V495 E496 | F488-Q492 HydrophobicContact CD2-CG 3.97Å; F488-Q492 HydrophobicContact CE1-CG 4.45Å; F488-Q492 HydrophobicContact CE2-CG 3.82Å; F488-Q492 HydrophobicContact CG-CG 4.35Å; F488-Q492 HydrophobicContact CZ-CG 4.08Å; F488-Q492 VanDerWaalsContact O-CG 3.3Å; F488-Q492 WeakPolarHBondContact O-CG 3.05Å; Q492-L494 PolarHBondContact O-N 2.87Å; Q492-V495 WeakPolarHBondContact O-CA 3.4Å; Q492-V495 WeakPolarHBondContact O-CB 3.41Å; Q492-V495 PolarHBondContact O-N 3.27Å; Q492-E496 PolarHBondContact O-N 2.89Å; Q492-E496 VanDerWaalsContact O-N 3.08Å |
| 493 | S | 84.1 | Confident | 86.8 | Confident | 74 Ų | 74 | 50.9 Ų | 50.9 | 52% | 0.517 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.9 | -31.1 | 177.3 | 69.1 | 0 | 0 | 0 | 0 | 112.2 | N491 V495 K497 | N491-S493 PolarHBondContact OD1-N 3.36Å; N491-S493 VanDerWaalsContact OD1-N 3.1Å; N491-S493 PolarHBondContact OD1-OG 3.01Å; S493-V495 VanDerWaalsContact C-N 3.34Å; S493-K497 WeakPolarHBondContact O-CB 3.48Å; S493-K497 PolarHBondContact O-N 2.85Å |
| 494 | L | 88.3 | Confident | 86.7 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 173.6 | -171.9 | 66.6 | 0 | 0 | 0 | 111.1 | T435 W483 H487 N491 Q492 K497 G498 | T435-L494 WeakPolarHBondContact O-CD1 3.31Å; W483-L494 HydrophobicContact CH2-CG 4.14Å; W483-L494 WeakPolarHBondContact CH2-O 3.43Å; W483-L494 HydrophobicContact CZ2-CD2 4.4Å; W483-L494 HydrophobicContact CZ2-CG 4.28Å; H487-L494 HydrophobicContact CB-CD2 4.49Å; N491-L494 HydrophobicContact CB-CB 3.94Å; N491-L494 WeakPolarHBondContact O-CB 3.42Å; N491-L494 PolarHBondContact O-N 3.01Å; N491-L494 PolarHBondContact OD1-N 3.05Å; Q492-L494 PolarHBondContact O-N 2.87Å; L494-K497 PolarHBondContact O-N 2.96Å; L494-G498 PolarHBondContact O-N 2.75Å |
| 495 | V | 88.8 | Confident | 86.8 | Confident | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.055 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.6 | -46 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | W483 C484 H487 F488 Q492 S493 K497 G498 L499 | W483-V495 HydrophobicContact CZ3-CB 4.3Å; W483-V495 HydrophobicContact CZ3-CG1 4.36Å; W483-V495 HydrophobicContact CZ3-CG2 4.18Å; C484-V495 HydrophobicContact CB-CG1 4.08Å; H487-V495 HydrophobicContact CB-CG2 3.82Å; F488-V495 HydrophobicContact CB-CG2 4.31Å; Q492-V495 WeakPolarHBondContact O-CA 3.4Å; Q492-V495 WeakPolarHBondContact O-CB 3.41Å; Q492-V495 PolarHBondContact O-N 3.27Å; S493-V495 VanDerWaalsContact C-N 3.34Å; V495-K497 VanDerWaalsContact C-N 3.35Å; V495-K497 PolarHBondContact O-N 3.48Å; V495-G498 PolarHBondContact O-N 3.03Å; V495-L499 HydrophobicContact CG1-CD1 4.15Å; V495-L499 HydrophobicContact CG1-CG 4.48Å; V495-L499 WeakPolarHBondContact O-CG 3.37Å; V495-L499 PolarHBondContact O-N 3.4Å |
| 496 | E | 86.7 | Confident | 87 | Confident | 94 Ų | 94 | 56.9 Ų | 56.9 | 44% | 0.439 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 175.9 | -68 | -179 | 165.8 | 0 | 0 | 111.7 | Q492 L499 K500 | Q492-E496 PolarHBondContact O-N 2.89Å; Q492-E496 VanDerWaalsContact O-N 3.08Å; E496-L499 PolarHBondContact O-N 3.37Å; E496-K500 WeakPolarHBondContact O-CB 3.35Å; E496-K500 PolarHBondContact O-N 2.93Å |
| 497 | K | 90.3 | Very high | 87.2 | Confident | 127 Ų | 127 | 54.9 Ų | 54.9 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60.9 | -46.8 | 175.3 | -175.7 | 178.6 | 177 | -179.1 | 0 | 111.9 | S493 L494 V495 L499 K500 D501 | S493-K497 WeakPolarHBondContact O-CB 3.48Å; S493-K497 PolarHBondContact O-N 2.85Å; L494-K497 PolarHBondContact O-N 2.96Å; V495-K497 VanDerWaalsContact C-N 3.35Å; V495-K497 PolarHBondContact O-N 3.48Å; K497-L499 VanDerWaalsContact C-N 3.32Å; K497-L499 PolarHBondContact O-N 2.85Å; K497-K500 WeakPolarHBondContact O-CB 3.15Å; K497-K500 PolarHBondContact O-N 2.99Å; K497-K500 VanDerWaalsContact O-N 3.11Å; K497-D501 VanDerWaalsContact O-CG 3.25Å; K497-D501 PolarHBondContact O-N 2.97Å |
| 498 | G | 91.8 | Very high | 87.3 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L437 L494 V495 L502 | L437-G498 WeakPolarHBondContact CD2-O 3.35Å; L494-G498 PolarHBondContact O-N 2.75Å; V495-G498 PolarHBondContact O-N 3.03Å; G498-L502 WeakPolarHBondContact O-CB 3.26Å; G498-L502 PolarHBondContact O-N 3.03Å |
| 499 | L | 92.2 | Very high | 87.5 | Confident | 29 Ų | 29 | 60.1 Ų | 60.1 | 15% | 0.152 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.5 | -36.6 | 174.6 | -67 | 174 | 0 | 0 | 0 | 112 | L437 V480 V495 E496 K497 L502 S503 R529 V533 | L437-L499 HydrophobicContact CD2-CD2 3.95Å; V480-L499 HydrophobicContact CG1-CD2 3.79Å; V495-L499 HydrophobicContact CG1-CD1 4.15Å; V495-L499 HydrophobicContact CG1-CG 4.48Å; V495-L499 WeakPolarHBondContact O-CG 3.37Å; V495-L499 PolarHBondContact O-N 3.4Å; E496-L499 PolarHBondContact O-N 3.37Å; K497-L499 VanDerWaalsContact C-N 3.32Å; K497-L499 PolarHBondContact O-N 2.85Å; L499-L502 PolarHBondContact O-N 3.21Å; L499-S503 WeakPolarHBondContact O-CB 3.32Å; L499-S503 PolarHBondContact O-N 2.82Å; L499-R529 HydrophobicContact CD1-CG 4.46Å; L499-V533 HydrophobicContact CB-CG2 4.19Å; L499-V533 HydrophobicContact CD2-CG2 4.24Å; L499-V533 WeakPolarHBondContact O-CG1 3.35Å |
| 500 | K | 90.4 | Very high | 88.2 | Confident | 116 Ų | 116 | 53.3 Ų | 53.3 | 50% | 0.504 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.5 | -49.4 | 173.8 | -179 | 174.9 | 171.5 | 172.6 | 0 | 111.5 | E496 K497 L502 S503 E504 | E496-K500 WeakPolarHBondContact O-CB 3.35Å; E496-K500 PolarHBondContact O-N 2.93Å; K497-K500 WeakPolarHBondContact O-CB 3.15Å; K497-K500 PolarHBondContact O-N 2.99Å; K497-K500 VanDerWaalsContact O-N 3.11Å; K500-L502 VanDerWaalsContact C-N 3.27Å; K500-L502 PolarHBondContact O-N 3.49Å; K500-S503 WeakPolarHBondContact O-CA 3.49Å; K500-S503 VanDerWaalsContact O-CB 3.31Å; K500-S503 WeakPolarHBondContact O-CB 3.37Å; K500-S503 PolarHBondContact O-N 3.07Å; K500-S503 PolarHBondContact O-OG 3.08Å; K500-E504 WeakPolarHBondContact CE-OE1 3.34Å; K500-E504 IonicContact NZ-OE1 3.9Å; K500-E504 PolarHBondContact O-N 2.98Å |
| 501 | D | 92.4 | Very high | 88.7 | Confident | 49 Ų | 49 | 51.3 Ų | 51.3 | 26% | 0.262 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 178.3 | -63.1 | -12.2 | 0 | 0 | 0 | 111.1 | K497 E504 H505 | K497-D501 VanDerWaalsContact O-CG 3.25Å; K497-D501 PolarHBondContact O-N 2.97Å; D501-E504 PolarHBondContact O-N 3.48Å; D501-H505 PolarHBondContact O-N 3.44Å; D501-H505 VanDerWaalsContact O-N 3.08Å |
| 502 | L | 94.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 172.7 | 176.1 | 64.8 | 0 | 0 | 0 | 111.9 | L437 L438 L446 V480 G498 L499 K500 H505 L506 L530 | L437-L502 HydrophobicContact CD2-CB 4.09Å; L437-L502 HydrophobicContact CD2-CD2 3.85Å; L438-L502 HydrophobicContact CD1-CD1 3.98Å; L446-L502 HydrophobicContact CD1-CD1 3.48Å; L446-L502 VanDerWaalsContact CD1-CD1 3.48Å; L446-L502 HydrophobicContact CD2-CD1 4.17Å; L446-L502 HydrophobicContact CG-CD1 4.43Å; V480-L502 HydrophobicContact CG2-CD2 3.72Å; G498-L502 WeakPolarHBondContact O-CB 3.26Å; G498-L502 PolarHBondContact O-N 3.03Å; L499-L502 PolarHBondContact O-N 3.21Å; K500-L502 VanDerWaalsContact C-N 3.27Å; K500-L502 PolarHBondContact O-N 3.49Å; L502-H505 PolarHBondContact O-N 2.9Å; L502-L506 HydrophobicContact CD1-CD1 4.23Å; L502-L506 HydrophobicContact CG-CD1 4.1Å; L502-L506 WeakPolarHBondContact O-CB 3.27Å; L502-L506 PolarHBondContact O-N 2.95Å; L502-L530 HydrophobicContact CD2-CD1 4.12Å |
| 503 | S | 91.4 | Very high | 88.9 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 178 | 88.4 | 0 | 0 | 0 | 0 | 111.9 | L499 K500 L506 A507 A537 R540 | L499-S503 WeakPolarHBondContact O-CB 3.32Å; L499-S503 PolarHBondContact O-N 2.82Å; K500-S503 WeakPolarHBondContact O-CA 3.49Å; K500-S503 VanDerWaalsContact O-CB 3.31Å; K500-S503 WeakPolarHBondContact O-CB 3.37Å; K500-S503 PolarHBondContact O-N 3.07Å; K500-S503 PolarHBondContact O-OG 3.08Å; S503-L506 PolarHBondContact O-N 3.45Å; S503-A507 WeakPolarHBondContact O-CB 3.39Å; S503-A507 PolarHBondContact O-N 3.11Å; S503-A537 WeakPolarHBondContact O-CB 3.25Å; S503-R540 PolarHBondContact OG-NH2 2.81Å |
| 504 | E | 90.6 | Very high | 89 | Confident | 90 Ų | 90 | 50.5 Ų | 50.5 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67 | -41 | 180 | -70.8 | 174.1 | -177.5 | 0 | 0 | 110.9 | K500 D501 A507 I508 | K500-E504 WeakPolarHBondContact CE-OE1 3.34Å; K500-E504 IonicContact NZ-OE1 3.9Å; K500-E504 PolarHBondContact O-N 2.98Å; D501-E504 PolarHBondContact O-N 3.48Å; E504-A507 WeakPolarHBondContact O-CB 3.26Å; E504-A507 PolarHBondContact O-N 3.39Å; E504-I508 WeakPolarHBondContact O-CG1 3.39Å; E504-I508 PolarHBondContact O-N 3.33Å; E504-I508 VanDerWaalsContact O-N 3.13Å |
| 505 | H | 92.6 | Very high | 88.9 | Confident | 38 Ų | 38 | 50.3 Ų | 50.3 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 177.1 | -166.9 | 63.9 | 0 | 0 | 0 | 112.9 | L438 D501 L502 A507 I508 L509 | L438-H505 HydrophobicContact CD1-CB 4.09Å; L438-H505 HydrophobicContact CD2-CB 3.64Å; D501-H505 PolarHBondContact O-N 3.44Å; D501-H505 VanDerWaalsContact O-N 3.08Å; L502-H505 PolarHBondContact O-N 2.9Å; H505-A507 VanDerWaalsContact C-N 3.32Å; H505-A507 PolarHBondContact O-N 3.25Å; H505-I508 WeakPolarHBondContact O-CB 3.49Å; H505-I508 PolarHBondContact O-N 3.14Å; H505-L509 WeakPolarHBondContact O-CG 3.31Å; H505-L509 PolarHBondContact O-N 3.39Å |
| 506 | L | 90.9 | Very high | 88.7 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 173.5 | -85.4 | 165 | 0 | 0 | 0 | 112 | L446 L502 S503 I508 L509 S510 V534 A537 | L446-L506 HydrophobicContact CD2-CD2 3.71Å; L446-L506 HydrophobicContact CD2-CG 4.1Å; L502-L506 HydrophobicContact CD1-CD1 4.23Å; L502-L506 HydrophobicContact CG-CD1 4.1Å; L502-L506 WeakPolarHBondContact O-CB 3.27Å; L502-L506 PolarHBondContact O-N 2.95Å; S503-L506 PolarHBondContact O-N 3.45Å; L506-I508 VanDerWaalsContact C-N 3.27Å; L506-I508 PolarHBondContact O-N 3.03Å; L506-L509 PolarHBondContact O-N 2.8Å; L506-S510 WeakPolarHBondContact O-CB 3.31Å; L506-S510 PolarHBondContact O-N 3.48Å; L506-S510 PolarHBondContact O-OG 2.99Å; L506-S510 VanDerWaalsContact O-OG 3.11Å; L506-V534 HydrophobicContact CD1-CB 4.43Å; L506-V534 HydrophobicContact CD1-CG2 3.63Å; L506-A537 HydrophobicContact CB-CB 4.4Å |
| 507 | A | 88.6 | Confident | 88.8 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 13% | 0.132 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.5 | -37.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S503 E504 H505 S510 Q511 A537 N541 | S503-A507 WeakPolarHBondContact O-CB 3.39Å; S503-A507 PolarHBondContact O-N 3.11Å; E504-A507 WeakPolarHBondContact O-CB 3.26Å; E504-A507 PolarHBondContact O-N 3.39Å; H505-A507 VanDerWaalsContact C-N 3.32Å; H505-A507 PolarHBondContact O-N 3.25Å; A507-S510 WeakPolarHBondContact CA-OG 3.44Å; A507-S510 PolarHBondContact O-OG 3.43Å; A507-Q511 PolarHBondContact O-N 3.15Å; A507-A537 HydrophobicContact CB-CB 4.24Å; A507-N541 HydrophobicContact CB-CB 4.14Å; A507-N541 VanDerWaalsContact O-CG 3.31Å; A507-N541 PolarHBondContact O-ND2 2.93Å |
| 508 | I | 88.8 | Confident | 88.7 | Confident | 107 Ų | 107 | 42.2 Ų | 42.2 | 55% | 0.549 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.7 | -47.9 | 175.2 | -65.6 | 164.3 | 0 | 0 | 0 | 110.3 | E504 H505 L506 S510 Q511 | E504-I508 WeakPolarHBondContact O-CG1 3.39Å; E504-I508 PolarHBondContact O-N 3.33Å; E504-I508 VanDerWaalsContact O-N 3.13Å; H505-I508 WeakPolarHBondContact O-CB 3.49Å; H505-I508 PolarHBondContact O-N 3.14Å; L506-I508 VanDerWaalsContact C-N 3.27Å; L506-I508 PolarHBondContact O-N 3.03Å; I508-S510 VanDerWaalsContact C-N 3.26Å; I508-S510 PolarHBondContact O-N 3.22Å; I508-Q511 WeakPolarHBondContact O-CB 3.38Å; I508-Q511 PolarHBondContact O-N 3.08Å; I508-Q511 VanDerWaalsContact O-N 3.14Å |
| 509 | L | 87.3 | Confident | 88.6 | Confident | 42 Ų | 42 | 43 Ų | 43 | 22% | 0.22 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65 | -29 | 179.8 | -67.2 | 175.5 | 0 | 0 | 0 | 112.9 | L446 H505 L506 Q511 | L446-L509 HydrophobicContact CB-CD1 3.57Å; H505-L509 WeakPolarHBondContact O-CG 3.31Å; H505-L509 PolarHBondContact O-N 3.39Å; L506-L509 PolarHBondContact O-N 2.8Å; L509-Q511 VanDerWaalsContact C-N 3.28Å; L509-Q511 PolarHBondContact O-N 3.06Å |
| 510 | S | 85.9 | Confident | 88.3 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -80.3 | -4.9 | 177 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | L506 A507 I508 D512 L513 N541 R545 | L506-S510 WeakPolarHBondContact O-CB 3.31Å; L506-S510 PolarHBondContact O-N 3.48Å; L506-S510 PolarHBondContact O-OG 2.99Å; L506-S510 VanDerWaalsContact O-OG 3.11Å; A507-S510 WeakPolarHBondContact CA-OG 3.44Å; A507-S510 PolarHBondContact O-OG 3.43Å; I508-S510 VanDerWaalsContact C-N 3.26Å; I508-S510 PolarHBondContact O-N 3.22Å; S510-D512 PolarHBondContact O-N 3.36Å; S510-D512 VanDerWaalsContact O-N 3.15Å; S510-L513 PolarHBondContact O-N 3.26Å; S510-N541 PolarHBondContact OG-OD1 2.67Å; S510-R545 PolarHBondContact O-NH1 2.82Å |
| 511 | Q | 85 | Confident | 88.3 | Confident | 97 Ų | 97 | 39.2 Ų | 39.2 | 45% | 0.453 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -63.9 | -22.6 | -168.9 | -177.3 | 172.1 | -2.4 | 0 | 0 | 114.2 | A507 I508 L509 R545 | A507-Q511 PolarHBondContact O-N 3.15Å; I508-Q511 WeakPolarHBondContact O-CB 3.38Å; I508-Q511 PolarHBondContact O-N 3.08Å; I508-Q511 VanDerWaalsContact O-N 3.14Å; L509-Q511 VanDerWaalsContact C-N 3.28Å; L509-Q511 PolarHBondContact O-N 3.06Å; Q511-R545 HydrophobicContact CG-CG 4.41Å; Q511-R545 VanDerWaalsContact O-CD 3.28Å; Q511-R545 WeakPolarHBondContact O-CD 3.48Å; Q511-R545 PolarHBondContact O-NE 2.9Å; Q511-R545 PolarHBondContact O-NH1 3.5Å; Q511-R545 VanDerWaalsContact O-NH1 3.08Å; Q511-R545 PolarHBondContact O-NH2 3.34Å |
| 512 | D | 80.6 | Confident | 88.2 | Confident | 117 Ų | 117 | 37 Ų | 37 | 63% | 0.626 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -112.3 | 1.3 | -179.3 | -62.7 | -46.4 | 0 | 0 | 0 | 113 | S510 Y580 | S510-D512 PolarHBondContact O-N 3.36Å; S510-D512 VanDerWaalsContact O-N 3.15Å; D512-Y580 PolarHBondContact O-OH 3.35Å |
| 513 | L | 84.9 | Confident | 87.9 | Confident | 15 Ų | 15 | 39.4 Ų | 39.4 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -80.1 | 147.8 | -177.7 | -57.1 | -179.6 | 0 | 0 | 0 | 111.6 | T450 I454 S510 V517 L518 R545 | T450-L513 HydrophobicContact CG2-CD1 3.73Å; T450-L513 HydrophobicContact CG2-CD2 3.91Å; T450-L513 HydrophobicContact CG2-CG 4.31Å; I454-L513 HydrophobicContact CD1-CD2 3.61Å; I454-L513 HydrophobicContact CG1-CD2 3.69Å; S510-L513 PolarHBondContact O-N 3.26Å; L513-V517 HydrophobicContact CD1-CG1 4.49Å; L513-L518 HydrophobicContact CB-CD1 4.34Å; L513-L518 HydrophobicContact CB-CD2 3.84Å; L513-L518 HydrophobicContact CB-CG 3.93Å; L513-L518 HydrophobicContact CD1-CD2 3.73Å; L513-L518 HydrophobicContact CG-CD2 4.37Å; L513-R545 PolarHBondContact O-NH1 3.21Å |
| 514 | C | 86.2 | Confident | 87.8 | Confident | 48 Ų | 48 | 40.4 Ų | 40.4 | 32% | 0.324 | 22% | 0.222 | S | C | . | . | trans | -73.9 | 151.5 | 173.3 | 73.5 | 0 | 0 | 0 | 0 | 110.8 | A516 V517 L518 | C514-A516 PolarHBondContact O-N 3.1Å; C514-A516 VanDerWaalsContact O-N 3.15Å; C514-V517 PolarHBondContact O-N 2.93Å; C514-V517 WeakPolarHBondContact SG-CG2 3.11Å; C514-L518 WeakPolarHBondContact O-CG 3.32Å; C514-L518 PolarHBondContact O-N 3.15Å | ||
| 515 | P | 86.6 | Confident | 87.8 | Confident | 39 Ų | 39 | 36.1 Ų | 36.1 | 25% | 0.253 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -56.4 | -32.7 | -178.4 | -26.5 | 34.7 | 0 | 0 | 0 | 114.2 | L518 V519 L542 L766 A769 | P515-L518 PolarHBondContact O-N 2.89Å; P515-V519 VanDerWaalsContact O-CG2 3.29Å; P515-V519 WeakPolarHBondContact O-CG2 3.5Å; P515-V519 PolarHBondContact O-N 2.78Å; P515-L542 HydrophobicContact CG-CD1 4.27Å; P515-L766 HydrophobicContact CG-CD1 4.15Å; P515-A769 HydrophobicContact CB-CB 3.49Å; P515-A769 VanDerWaalsContact CB-CB 3.49Å |
| 516 | A | 85.7 | Confident | 87.4 | Confident | 49 Ų | 49 | 40.3 Ų | 40.3 | 41% | 0.405 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65 | -45.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | F457 C514 L518 V519 E520 | F457-A516 HydrophobicContact CE2-CB 3.82Å; F457-A516 HydrophobicContact CZ-CB 3.69Å; C514-A516 PolarHBondContact O-N 3.1Å; C514-A516 VanDerWaalsContact O-N 3.15Å; A516-L518 VanDerWaalsContact C-N 3.28Å; A516-L518 PolarHBondContact O-N 3.49Å; A516-V519 PolarHBondContact O-N 2.89Å; A516-E520 WeakPolarHBondContact O-CB 3.44Å; A516-E520 PolarHBondContact O-N 3.44Å |
| 517 | V | 87.8 | Confident | 87.4 | Confident | 8 Ų | 8 | 39.8 Ų | 39.8 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -39.7 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | A453 F457 L513 C514 E520 L521 | A453-V517 HydrophobicContact CB-CG1 4.35Å; F457-V517 HydrophobicContact CB-CG2 3.75Å; F457-V517 HydrophobicContact CD1-CG2 3.45Å; F457-V517 VanDerWaalsContact CD1-CG2 3.45Å; F457-V517 HydrophobicContact CD2-CG2 3.81Å; F457-V517 HydrophobicContact CE1-CG2 3.96Å; F457-V517 HydrophobicContact CE2-CG2 4.27Å; F457-V517 HydrophobicContact CG-CG2 3.37Å; F457-V517 HydrophobicContact CZ-CG2 4.34Å; L513-V517 HydrophobicContact CD1-CG1 4.49Å; C514-V517 PolarHBondContact O-N 2.93Å; C514-V517 WeakPolarHBondContact SG-CG2 3.11Å; V517-E520 PolarHBondContact O-N 3.33Å; V517-L521 WeakPolarHBondContact O-CB 3.37Å; V517-L521 PolarHBondContact O-N 3.49Å |
| 518 | L | 89.1 | Confident | 87.4 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | -179.9 | -67.4 | 172 | 0 | 0 | 0 | 112.7 | L513 C514 P515 A516 V522 I538 | L513-L518 HydrophobicContact CB-CD1 4.34Å; L513-L518 HydrophobicContact CB-CD2 3.84Å; L513-L518 HydrophobicContact CB-CG 3.93Å; L513-L518 HydrophobicContact CD1-CD2 3.73Å; L513-L518 HydrophobicContact CG-CD2 4.37Å; C514-L518 WeakPolarHBondContact O-CG 3.32Å; C514-L518 PolarHBondContact O-N 3.15Å; P515-L518 PolarHBondContact O-N 2.89Å; A516-L518 VanDerWaalsContact C-N 3.28Å; A516-L518 PolarHBondContact O-N 3.49Å; L518-V522 WeakPolarHBondContact O-CG2 3.29Å; L518-V522 PolarHBondContact O-N 3.32Å; L518-V522 VanDerWaalsContact O-N 3.12Å; L518-I538 HydrophobicContact CB-CG2 3.92Å; L518-I538 HydrophobicContact CD1-CG2 4.03Å; L518-I538 HydrophobicContact CD2-CD1 4.1Å; L518-I538 HydrophobicContact CD2-CG1 4.3Å; L518-I538 HydrophobicContact CD2-CG2 4.11Å; L518-I538 HydrophobicContact CG-CG2 4.24Å |
| 519 | V | 88.6 | Confident | 87.5 | Confident | 19 Ų | 19 | 35.6 Ų | 35.6 | 12% | 0.115 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.1 | -48.2 | 176.4 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | P515 A516 L521 V522 C523 A769 S772 L773 | P515-V519 VanDerWaalsContact O-CG2 3.29Å; P515-V519 WeakPolarHBondContact O-CG2 3.5Å; P515-V519 PolarHBondContact O-N 2.78Å; A516-V519 PolarHBondContact O-N 2.89Å; V519-L521 VanDerWaalsContact C-N 3.31Å; V519-L521 PolarHBondContact O-N 3.45Å; V519-V522 WeakPolarHBondContact O-CB 3.49Å; V519-V522 PolarHBondContact O-N 3.19Å; V519-V522 VanDerWaalsContact O-N 3.11Å; V519-C523 PolarHBondContact O-N 3.24Å; V519-C523 PolarHBondContact O-SG 3.38Å; V519-A769 HydrophobicContact CG2-CB 3.58Å; V519-S772 WeakPolarHBondContact CG1-OG 3.34Å; V519-L773 HydrophobicContact CG2-CG 4.48Å |
| 520 | E | 87.4 | Confident | 87.8 | Confident | 57 Ų | 57 | 33.6 Ų | 33.6 | 27% | 0.266 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.7 | -43.5 | 179.3 | -175.8 | 69.1 | 177.7 | 0 | 0 | 111.4 | R464 A516 V517 V522 C523 R524 | R464-E520 IonicContact CZ-OE1 2.68Å; R464-E520 IonicContact NH2-OE1 2.78Å; R464-E520 PolarHBondContact NH2-OE1 3.31Å; A516-E520 WeakPolarHBondContact O-CB 3.44Å; A516-E520 PolarHBondContact O-N 3.44Å; V517-E520 PolarHBondContact O-N 3.33Å; E520-V522 PolarHBondContact O-N 3.31Å; E520-C523 PolarHBondContact O-N 3.23Å; E520-R524 VanDerWaalsContact CG-CZ 3.45Å; E520-R524 VanDerWaalsContact CG-NH2 3.29Å; E520-R524 WeakPolarHBondContact O-CG 3.21Å; E520-R524 PolarHBondContact O-N 3.06Å; E520-R524 IonicContact OE1-CZ 2.96Å; E520-R524 VanDerWaalsContact OE1-CZ 3.25Å; E520-R524 IonicContact OE1-NE 3.72Å; E520-R524 PolarHBondContact OE1-NE 3.41Å; E520-R524 VanDerWaalsContact OE1-NE 3.12Å; E520-R524 IonicContact OE1-NH2 3.46Å; E520-R524 PolarHBondContact OE1-NH2 3.25Å |
| 521 | L | 89.7 | Confident | 88.2 | Confident | 10 Ų | 10 | 34.8 Ų | 34.8 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 175.3 | -177.6 | 70.6 | 0 | 0 | 0 | 111.8 | L449 A453 L473 V517 V519 R524 V525 | L449-L521 HydrophobicContact CD1-CD1 4.1Å; L449-L521 HydrophobicContact CG-CD1 4.31Å; A453-L521 HydrophobicContact CB-CD1 4.05Å; L473-L521 HydrophobicContact CD1-CD1 4.14Å; L473-L521 HydrophobicContact CD2-CD1 4.08Å; L473-L521 HydrophobicContact CG-CD1 4.37Å; V517-L521 WeakPolarHBondContact O-CB 3.37Å; V517-L521 PolarHBondContact O-N 3.49Å; V519-L521 VanDerWaalsContact C-N 3.31Å; V519-L521 PolarHBondContact O-N 3.45Å; L521-R524 PolarHBondContact O-N 3.05Å; L521-V525 WeakPolarHBondContact O-CG2 3.43Å |
| 522 | V | 91 | Very high | 88.5 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.6 | -43.4 | 179.3 | 158.4 | 0 | 0 | 0 | 0 | 112.1 | L518 V519 E520 R524 V525 K531 V534 V535 I538 L773 H776 | L518-V522 WeakPolarHBondContact O-CG2 3.29Å; L518-V522 PolarHBondContact O-N 3.32Å; L518-V522 VanDerWaalsContact O-N 3.12Å; V519-V522 WeakPolarHBondContact O-CB 3.49Å; V519-V522 PolarHBondContact O-N 3.19Å; V519-V522 VanDerWaalsContact O-N 3.11Å; E520-V522 PolarHBondContact O-N 3.31Å; V522-R524 PolarHBondContact O-N 2.83Å; V522-V525 PolarHBondContact O-N 2.93Å; V522-V525 VanDerWaalsContact O-N 3.17Å; V522-K531 WeakPolarHBondContact O-CE 3.47Å; V522-V534 HydrophobicContact CG2-CG1 3.96Å; V522-V535 HydrophobicContact CB-CG2 4.17Å; V522-V535 HydrophobicContact CG1-CG2 3.32Å; V522-V535 HydrophobicContact CG2-CG2 3.74Å; V522-I538 HydrophobicContact CG2-CD1 3.7Å; V522-L773 HydrophobicContact CB-CD2 4.16Å; V522-L773 HydrophobicContact CG1-CD2 4.26Å; V522-L773 HydrophobicContact CG2-CD2 3.69Å; V522-H776 HydrophobicContact CG1-CB 4.02Å |
| 523 | C | 87.9 | Confident | 89.1 | Confident | 51 Ų | 51 | 26.1 Ų | 26.1 | 35% | 0.345 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -56.7 | -40.8 | -179.6 | -71.8 | 0 | 0 | 0 | 0 | 111.1 | V519 E520 V525 K531 H776 | V519-C523 PolarHBondContact O-N 3.24Å; V519-C523 PolarHBondContact O-SG 3.38Å; E520-C523 PolarHBondContact O-N 3.23Å; C523-V525 VanDerWaalsContact C-N 3.32Å; C523-V525 PolarHBondContact O-N 3.46Å; C523-K531 PolarHBondContact O-NZ 2.85Å; C523-H776 VanDerWaalsContact SG-CE1 3.52Å |
| 524 | R | 88.3 | Confident | 89.4 | Confident | 27 Ų | 27 | 25.6 Ų | 25.6 | 10% | 0.102 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -12.2 | -178.6 | -66.4 | 174.8 | -169.4 | 176.2 | -4 | 115.3 | E456 D470 L473 E520 L521 V522 H526 | E456-R524 IonicContact OE2-CZ 3.64Å; E456-R524 IonicContact OE2-NH1 3.62Å; E456-R524 PolarHBondContact OE2-NH1 3.4Å; D470-R524 WeakPolarHBondContact OD1-CB 3.49Å; D470-R524 WeakPolarHBondContact OD1-CD 3.36Å; L473-R524 HydrophobicContact CD1-CB 3.56Å; E520-R524 VanDerWaalsContact CG-CZ 3.45Å; E520-R524 VanDerWaalsContact CG-NH2 3.29Å; E520-R524 WeakPolarHBondContact O-CG 3.21Å; E520-R524 PolarHBondContact O-N 3.06Å; E520-R524 IonicContact OE1-CZ 2.96Å; E520-R524 VanDerWaalsContact OE1-CZ 3.25Å; E520-R524 IonicContact OE1-NE 3.72Å; E520-R524 PolarHBondContact OE1-NE 3.41Å; E520-R524 VanDerWaalsContact OE1-NE 3.12Å; E520-R524 IonicContact OE1-NH2 3.46Å; E520-R524 PolarHBondContact OE1-NH2 3.25Å; L521-R524 PolarHBondContact O-N 3.05Å; V522-R524 PolarHBondContact O-N 2.83Å; R524-H526 PolarHBondContact O-CE1 3.44Å; R524-H526 PolarHBondContact O-N 2.99Å; R524-H526 PolarHBondContact O-ND1 3.09Å |
| 525 | V | 90.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | trans | -71.2 | 117.8 | 178.3 | -174.7 | 0 | 0 | 0 | 0 | 110.6 | L473 L521 V522 C523 L530 K531 | L473-V525 HydrophobicContact CD2-CG2 4.02Å; L521-V525 WeakPolarHBondContact O-CG2 3.43Å; V522-V525 PolarHBondContact O-N 2.93Å; V522-V525 VanDerWaalsContact O-N 3.17Å; C523-V525 VanDerWaalsContact C-N 3.32Å; C523-V525 PolarHBondContact O-N 3.46Å; V525-L530 HydrophobicContact CG1-CB 4.04Å; V525-L530 HydrophobicContact CG1-CD2 4.07Å; V525-L530 HydrophobicContact CG1-CG 3.99Å; V525-K531 HydrophobicContact CB-CB 4.14Å; V525-K531 HydrophobicContact CG1-CB 3.85Å; V525-K531 WeakPolarHBondContact O-CE 3.43Å; V525-K531 PolarHBondContact O-NZ 3.36Å | ||
| 526 | H | 85.3 | Confident | 90.1 | Very high | 125 Ų | 125 | 22.2 Ų | 22.2 | 58% | 0.579 | 12% | 0.12 | S | C | * | . | trans | -85.5 | -32.4 | 177.7 | -61.8 | 102.5 | 0 | 0 | 0 | 113.7 | D474 R524 T528 | D474-H526 IonicContact OD1-ND1 3.25Å; D474-H526 PolarHBondContact OD1-ND1 3.47Å; R524-H526 PolarHBondContact O-CE1 3.44Å; R524-H526 PolarHBondContact O-N 2.99Å; R524-H526 PolarHBondContact O-ND1 3.09Å; H526-T528 PolarHBondContact O-N 2.87Å | ||
| 527 | S | 89.9 | Confident | 90.4 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.007 | 10% | 0.101 | C | C | . | . | trans | -73 | 120.5 | 179.6 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | S477 R529 L530 K531 | S477-S527 WeakPolarHBondContact OG-CB 3.19Å; S527-R529 VanDerWaalsContact C-N 3.34Å; S527-R529 PolarHBondContact O-N 3.35Å; S527-L530 PolarHBondContact O-N 3.28Å; S527-L530 PolarHBondContact OG-N 2.9Å; S527-K531 VanDerWaalsContact O-CB 3.25Å; S527-K531 WeakPolarHBondContact O-CB 3.28Å; S527-K531 PolarHBondContact O-N 3.32Å | ||
| 528 | T | 89.7 | Confident | 90.7 | Very high | 16 Ų | 16 | 19.7 Ų | 19.7 | 10% | 0.098 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.8 | -35.8 | -178.4 | 45.5 | 0 | 0 | 0 | 0 | 113.1 | H526 L532 K783 E784 | H526-T528 PolarHBondContact O-N 2.87Å; T528-L532 WeakPolarHBondContact O-CB 3.4Å; T528-L532 PolarHBondContact O-N 3.38Å; T528-K783 HydrophobicContact CG2-CD 3.54Å; T528-K783 HydrophobicContact CG2-CG 4.15Å; T528-E784 WeakPolarHBondContact CB-OE1 3.3Å; T528-E784 PolarHBondContact OG1-OE1 3.37Å |
| 529 | R | 90.6 | Very high | 90.9 | Very high | 18 Ų | 18 | 19.6 Ų | 19.6 | 7% | 0.068 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66 | -47.6 | 174.9 | 179.6 | -176.5 | -71.3 | 155.4 | -9.3 | 111.1 | E231 R235 E481 C484 L499 S527 L532 V533 E784 | E231-R529 PolarHBondContact O-NH2 2.94Å; R235-R529 HydrophobicContact CG-CB 4.36Å; E481-R529 IonicContact OE1-CZ 3.43Å; E481-R529 IonicContact OE1-NH1 3.89Å; E481-R529 PolarHBondContact OE1-NH1 3.34Å; E481-R529 VanDerWaalsContact OE1-NH1 3.08Å; E481-R529 IonicContact OE2-CZ 3.03Å; E481-R529 IonicContact OE2-NH1 2.66Å; E481-R529 PolarHBondContact OE2-NH1 2.98Å; C484-R529 VanDerWaalsContact CB-NH1 3.26Å; L499-R529 HydrophobicContact CD1-CG 4.46Å; S527-R529 VanDerWaalsContact C-N 3.34Å; S527-R529 PolarHBondContact O-N 3.35Å; R529-L532 PolarHBondContact O-N 3.17Å; R529-V533 WeakPolarHBondContact O-CG2 3.47Å; R529-V533 PolarHBondContact O-N 3.49Å; R529-E784 PolarHBondContact N-OE1 2.9Å; R529-E784 VanDerWaalsContact N-OE1 3.16Å |
| 530 | L | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.8 | -44.2 | 178.5 | -179.2 | 59.2 | 0 | 0 | 0 | 110.7 | L476 S477 V480 L502 V525 S527 L532 V533 V534 | L476-L530 HydrophobicContact CB-CD2 4.32Å; L476-L530 HydrophobicContact CD2-CD1 4.19Å; L476-L530 HydrophobicContact CD2-CD2 3.88Å; L476-L530 HydrophobicContact CG-CD1 4.36Å; L476-L530 HydrophobicContact CG-CD2 3.84Å; S477-L530 WeakPolarHBondContact OG-CD2 3.14Å; V480-L530 HydrophobicContact CG2-CD1 4.25Å; L502-L530 HydrophobicContact CD2-CD1 4.12Å; V525-L530 HydrophobicContact CG1-CB 4.04Å; V525-L530 HydrophobicContact CG1-CD2 4.07Å; V525-L530 HydrophobicContact CG1-CG 3.99Å; S527-L530 PolarHBondContact O-N 3.28Å; S527-L530 PolarHBondContact OG-N 2.9Å; L530-L532 VanDerWaalsContact C-N 3.29Å; L530-L532 PolarHBondContact O-N 3.39Å; L530-V533 PolarHBondContact O-N 2.9Å; L530-V533 VanDerWaalsContact O-N 3.1Å; L530-V534 HydrophobicContact CD1-CG2 3.73Å; L530-V534 HydrophobicContact CG-CG2 3.9Å; L530-V534 WeakPolarHBondContact O-CB 3.27Å; L530-V534 VanDerWaalsContact O-CG2 3.22Å; L530-V534 WeakPolarHBondContact O-CG2 3.43Å; L530-V534 PolarHBondContact O-N 3.32Å |
| 531 | K | 93.9 | Very high | 91 | Very high | 30 Ų | 30 | 19 Ų | 19 | 13% | 0.13 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.3 | -46.1 | 176.9 | -176.5 | 168.9 | -72.8 | -173.8 | 0 | 110.9 | V522 C523 V525 S527 V533 V534 V535 S780 | V522-K531 WeakPolarHBondContact O-CE 3.47Å; C523-K531 PolarHBondContact O-NZ 2.85Å; V525-K531 HydrophobicContact CB-CB 4.14Å; V525-K531 HydrophobicContact CG1-CB 3.85Å; V525-K531 WeakPolarHBondContact O-CE 3.43Å; V525-K531 PolarHBondContact O-NZ 3.36Å; S527-K531 VanDerWaalsContact O-CB 3.25Å; S527-K531 WeakPolarHBondContact O-CB 3.28Å; S527-K531 PolarHBondContact O-N 3.32Å; K531-V533 VanDerWaalsContact C-N 3.32Å; K531-V533 PolarHBondContact O-N 2.91Å; K531-V534 PolarHBondContact O-N 3.06Å; K531-V535 HydrophobicContact CG-CG2 3.92Å; K531-V535 VanDerWaalsContact O-CB 3.28Å; K531-V535 WeakPolarHBondContact O-CB 3.4Å; K531-V535 WeakPolarHBondContact O-CG2 3.26Å; K531-V535 PolarHBondContact O-N 2.82Å; K531-S780 VanDerWaalsContact CD-OG 3.25Å; K531-S780 WeakPolarHBondContact CD-OG 3.47Å; K531-S780 WeakPolarHBondContact CG-OG 3.46Å |
| 532 | L | 92.7 | Very high | 90.9 | Very high | 15 Ų | 15 | 18.7 Ų | 18.7 | 8% | 0.079 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -55.6 | -46.8 | 176.9 | -168 | 76 | 0 | 0 | 0 | 112.3 | T528 R529 L530 D536 L555 L777 Y781 E784 | T528-L532 WeakPolarHBondContact O-CB 3.4Å; T528-L532 PolarHBondContact O-N 3.38Å; R529-L532 PolarHBondContact O-N 3.17Å; L530-L532 VanDerWaalsContact C-N 3.29Å; L530-L532 PolarHBondContact O-N 3.39Å; L532-D536 WeakPolarHBondContact O-CB 3.35Å; L532-D536 PolarHBondContact O-N 3.43Å; L532-L555 HydrophobicContact CD1-CD2 3.79Å; L532-L555 HydrophobicContact CD2-CD2 4.07Å; L532-L555 HydrophobicContact CG-CD2 3.74Å; L532-L777 HydrophobicContact CD1-CD1 3.97Å; L532-Y781 HydrophobicContact CD1-CD2 4.09Å; L532-Y781 HydrophobicContact CD1-CG 4.47Å; L532-E784 HydrophobicContact CD2-CB 4.39Å; L532-E784 HydrophobicContact CD2-CG 4.35Å |
| 533 | V | 91.8 | Very high | 90.7 | Very high | 17 Ų | 17 | 18.6 Ų | 18.6 | 10% | 0.103 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.1 | -44.2 | -178.1 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | L499 R529 L530 K531 A537 | L499-V533 HydrophobicContact CB-CG2 4.19Å; L499-V533 HydrophobicContact CD2-CG2 4.24Å; L499-V533 WeakPolarHBondContact O-CG1 3.35Å; R529-V533 WeakPolarHBondContact O-CG2 3.47Å; R529-V533 PolarHBondContact O-N 3.49Å; L530-V533 PolarHBondContact O-N 2.9Å; L530-V533 VanDerWaalsContact O-N 3.1Å; K531-V533 VanDerWaalsContact C-N 3.32Å; K531-V533 PolarHBondContact O-N 2.91Å; V533-A537 WeakPolarHBondContact O-CB 3.23Å; V533-A537 PolarHBondContact O-N 3.08Å; V533-A537 VanDerWaalsContact O-N 3.12Å |
| 534 | V | 92.6 | Very high | 90.6 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.024 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.5 | -48.9 | -179.5 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | L506 V522 L530 K531 D536 A537 I538 | L506-V534 HydrophobicContact CD1-CB 4.43Å; L506-V534 HydrophobicContact CD1-CG2 3.63Å; V522-V534 HydrophobicContact CG2-CG1 3.96Å; L530-V534 HydrophobicContact CD1-CG2 3.73Å; L530-V534 HydrophobicContact CG-CG2 3.9Å; L530-V534 WeakPolarHBondContact O-CB 3.27Å; L530-V534 VanDerWaalsContact O-CG2 3.22Å; L530-V534 WeakPolarHBondContact O-CG2 3.43Å; L530-V534 PolarHBondContact O-N 3.32Å; K531-V534 PolarHBondContact O-N 3.06Å; V534-D536 PolarHBondContact O-N 2.73Å; V534-A537 PolarHBondContact O-N 3.06Å; V534-I538 HydrophobicContact CG1-CD1 3.51Å; V534-I538 HydrophobicContact CG1-CG1 4.28Å; V534-I538 WeakPolarHBondContact O-CB 3.31Å; V534-I538 VanDerWaalsContact O-CG1 3.27Å; V534-I538 WeakPolarHBondContact O-CG1 3.22Å; V534-I538 PolarHBondContact O-N 3.42Å |
| 535 | V | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.6 | -44.3 | -177.1 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | V522 K531 A537 I538 F539 L773 H776 L777 | V522-V535 HydrophobicContact CB-CG2 4.17Å; V522-V535 HydrophobicContact CG1-CG2 3.32Å; V522-V535 HydrophobicContact CG2-CG2 3.74Å; K531-V535 HydrophobicContact CG-CG2 3.92Å; K531-V535 VanDerWaalsContact O-CB 3.28Å; K531-V535 WeakPolarHBondContact O-CB 3.4Å; K531-V535 WeakPolarHBondContact O-CG2 3.26Å; K531-V535 PolarHBondContact O-N 2.82Å; V535-A537 VanDerWaalsContact C-N 3.33Å; V535-A537 PolarHBondContact O-N 3.32Å; V535-I538 PolarHBondContact O-N 3.16Å; V535-F539 WeakPolarHBondContact O-CB 3.34Å; V535-F539 PolarHBondContact O-N 2.65Å; V535-L773 HydrophobicContact CG1-CB 4.2Å; V535-L773 HydrophobicContact CG1-CD2 4.39Å; V535-L773 WeakPolarHBondContact CG1-O 3.26Å; V535-H776 HydrophobicContact CG2-CB 4.27Å; V535-L777 HydrophobicContact CB-CD1 4.21Å; V535-L777 HydrophobicContact CG1-CB 3.64Å; V535-L777 HydrophobicContact CG1-CD1 3.98Å; V535-L777 HydrophobicContact CG1-CG 4.31Å |
| 536 | D | 92.9 | Very high | 89.8 | Confident | 16 Ų | 16 | 24.8 Ų | 24.8 | 9% | 0.086 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.2 | -41.7 | 177 | 180 | 41.4 | 0 | 0 | 0 | 111.7 | L532 V534 R540 L555 Y564 L777 | L532-D536 WeakPolarHBondContact O-CB 3.35Å; L532-D536 PolarHBondContact O-N 3.43Å; V534-D536 PolarHBondContact O-N 2.73Å; D536-R540 WeakPolarHBondContact O-CG 3.47Å; D536-R540 PolarHBondContact O-N 3.01Å; D536-R540 IonicContact OD1-CZ 2.76Å; D536-R540 IonicContact OD1-NH1 3.88Å; D536-R540 PolarHBondContact OD1-NH1 2.99Å; D536-R540 IonicContact OD2-CZ 2.82Å; D536-R540 IonicContact OD2-NH1 3.7Å; D536-R540 PolarHBondContact OD2-NH1 2.94Å; D536-R540 IonicContact OD2-NH2 2.87Å; D536-L555 HydrophobicContact CB-CD2 4.21Å; D536-Y564 PolarHBondContact OD1-OH 3.13Å; D536-L777 HydrophobicContact CB-CD1 4.07Å |
| 537 | A | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.6 | -50.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S503 L506 A507 V533 V534 V535 R540 N541 | S503-A537 WeakPolarHBondContact O-CB 3.25Å; L506-A537 HydrophobicContact CB-CB 4.4Å; A507-A537 HydrophobicContact CB-CB 4.24Å; V533-A537 WeakPolarHBondContact O-CB 3.23Å; V533-A537 PolarHBondContact O-N 3.08Å; V533-A537 VanDerWaalsContact O-N 3.12Å; V534-A537 PolarHBondContact O-N 3.06Å; V535-A537 VanDerWaalsContact C-N 3.33Å; V535-A537 PolarHBondContact O-N 3.32Å; A537-R540 PolarHBondContact O-N 3.43Å; A537-N541 WeakPolarHBondContact O-CB 3.27Å; A537-N541 PolarHBondContact O-N 3.32Å |
| 538 | I | 92.6 | Very high | 89 | Confident | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.7 | -43.4 | -177.5 | -70.6 | 174.9 | 0 | 0 | 0 | 110.6 | L518 V522 V534 V535 N541 L542 L773 | L518-I538 HydrophobicContact CB-CG2 3.92Å; L518-I538 HydrophobicContact CD1-CG2 4.03Å; L518-I538 HydrophobicContact CD2-CD1 4.1Å; L518-I538 HydrophobicContact CD2-CG1 4.3Å; L518-I538 HydrophobicContact CD2-CG2 4.11Å; L518-I538 HydrophobicContact CG-CG2 4.24Å; V522-I538 HydrophobicContact CG2-CD1 3.7Å; V534-I538 HydrophobicContact CG1-CD1 3.51Å; V534-I538 HydrophobicContact CG1-CG1 4.28Å; V534-I538 WeakPolarHBondContact O-CB 3.31Å; V534-I538 VanDerWaalsContact O-CG1 3.27Å; V534-I538 WeakPolarHBondContact O-CG1 3.22Å; V534-I538 PolarHBondContact O-N 3.42Å; V535-I538 PolarHBondContact O-N 3.16Å; I538-N541 PolarHBondContact O-N 3.42Å; I538-L542 WeakPolarHBondContact O-CB 3.29Å; I538-L542 PolarHBondContact O-N 3.36Å; I538-L773 HydrophobicContact CG2-CD1 3.74Å; I538-L773 HydrophobicContact CG2-CD2 3.96Å |
| 539 | F | 93 | Very high | 88.4 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.7 | -43 | 179.4 | -171.2 | -92 | 0 | 0 | 0 | 111.9 | V535 N541 L542 C543 Y564 A567 L568 L571 L773 L774 | V535-F539 WeakPolarHBondContact O-CB 3.34Å; V535-F539 PolarHBondContact O-N 2.65Å; F539-N541 VanDerWaalsContact C-N 3.35Å; F539-N541 PolarHBondContact O-N 3.06Å; F539-L542 WeakPolarHBondContact O-CB 3.42Å; F539-L542 PolarHBondContact O-N 3.21Å; F539-C543 WeakPolarHBondContact CE1-SG 3.44Å; F539-C543 PolarHBondContact O-N 2.88Å; F539-C543 PolarHBondContact O-SG 3.48Å; F539-Y564 AromaticContact CD1-CD1 3.86Å; F539-Y564 HydrophobicContact CD1-CD1 3.86Å; F539-Y564 AromaticContact CD1-CD2 3.8Å; F539-Y564 HydrophobicContact CD1-CD2 3.8Å; F539-Y564 HydrophobicContact CD1-CE1 4.12Å; F539-Y564 HydrophobicContact CD1-CE2 4.07Å; F539-Y564 AromaticContact CD1-CG 3.72Å; F539-Y564 HydrophobicContact CD1-CG 3.72Å; F539-Y564 AromaticContact CE1-CD1 3.7Å; F539-Y564 HydrophobicContact CE1-CD1 3.7Å; F539-Y564 HydrophobicContact CE1-CD2 4.07Å; F539-Y564 HydrophobicContact CE1-CE1 4.38Å; F539-Y564 AromaticContact CE1-CG 3.54Å; F539-Y564 HydrophobicContact CE1-CG 3.54Å; F539-A567 HydrophobicContact CE1-CB 4.47Å; F539-L568 HydrophobicContact CZ-CB 4.46Å; F539-L571 HydrophobicContact CE2-CD1 4.37Å; F539-L571 HydrophobicContact CZ-CD1 4.34Å; F539-L773 HydrophobicContact CD2-CB 4.08Å; F539-L773 HydrophobicContact CD2-CD1 4.29Å; F539-L774 HydrophobicContact CD1-CD2 4.02Å; F539-L774 HydrophobicContact CD2-CD2 3.7Å; F539-L774 HydrophobicContact CD2-CG 3.92Å; F539-L774 HydrophobicContact CE1-CD2 3.94Å; F539-L774 HydrophobicContact CE2-CD1 3.83Å; F539-L774 HydrophobicContact CE2-CD2 3.6Å; F539-L774 HydrophobicContact CE2-CG 3.49Å; F539-L774 VanDerWaalsContact CE2-CG 3.49Å; F539-L774 HydrophobicContact CG-CD2 3.92Å; F539-L774 HydrophobicContact CZ-CD1 3.78Å; F539-L774 HydrophobicContact CZ-CD2 3.73Å; F539-L774 HydrophobicContact CZ-CG 3.87Å |
| 540 | R | 90.3 | Very high | 88 | Confident | 47 Ų | 47 | 30.6 Ų | 30.6 | 18% | 0.177 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 172.8 | -75.2 | -165.9 | -56.2 | -99.1 | 2 | 111.8 | S503 D536 A537 L542 C543 C544 Y564 | S503-R540 PolarHBondContact OG-NH2 2.81Å; D536-R540 WeakPolarHBondContact O-CG 3.47Å; D536-R540 PolarHBondContact O-N 3.01Å; D536-R540 IonicContact OD1-CZ 2.76Å; D536-R540 IonicContact OD1-NH1 3.88Å; D536-R540 PolarHBondContact OD1-NH1 2.99Å; D536-R540 IonicContact OD2-CZ 2.82Å; D536-R540 IonicContact OD2-NH1 3.7Å; D536-R540 PolarHBondContact OD2-NH1 2.94Å; D536-R540 IonicContact OD2-NH2 2.87Å; A537-R540 PolarHBondContact O-N 3.43Å; R540-L542 VanDerWaalsContact C-N 3.32Å; R540-L542 PolarHBondContact O-N 3.39Å; R540-C543 WeakPolarHBondContact O-CB 3.26Å; R540-C543 PolarHBondContact O-N 2.81Å; R540-C544 WeakPolarHBondContact O-CB 3.39Å; R540-C544 PolarHBondContact O-N 2.94Å; R540-C544 PolarHBondContact O-SG 2.73Å; R540-Y564 HydrophobicContact CG-CE1 4.37Å; R540-Y564 WeakPolarHBondContact CG-OH 3.28Å |
| 541 | N | 87.8 | Confident | 87.2 | Confident | 16 Ų | 16 | 32.6 Ų | 32.6 | 9% | 0.086 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 177.3 | -179.9 | -102 | 0 | 0 | 0 | 111.4 | A507 S510 A537 I538 F539 C543 C544 R545 | A507-N541 HydrophobicContact CB-CB 4.14Å; A507-N541 VanDerWaalsContact O-CG 3.31Å; A507-N541 PolarHBondContact O-ND2 2.93Å; S510-N541 PolarHBondContact OG-OD1 2.67Å; A537-N541 WeakPolarHBondContact O-CB 3.27Å; A537-N541 PolarHBondContact O-N 3.32Å; I538-N541 PolarHBondContact O-N 3.42Å; F539-N541 VanDerWaalsContact C-N 3.35Å; F539-N541 PolarHBondContact O-N 3.06Å; N541-C543 VanDerWaalsContact C-N 3.33Å; N541-C543 PolarHBondContact O-N 3.3Å; N541-C544 PolarHBondContact O-N 2.94Å; N541-R545 WeakPolarHBondContact O-CB 3.43Å; N541-R545 VanDerWaalsContact O-CG 3.27Å; N541-R545 WeakPolarHBondContact O-CG 3.26Å; N541-R545 PolarHBondContact O-N 2.88Å; N541-R545 WeakPolarHBondContact OD1-CD 3.27Å |
| 542 | L | 88.3 | Confident | 86.3 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.2 | -43.2 | 176.5 | -166.4 | 67.6 | 0 | 0 | 0 | 111.6 | P515 I538 F539 R540 N546 L571 L766 L773 | P515-L542 HydrophobicContact CG-CD1 4.27Å; I538-L542 WeakPolarHBondContact O-CB 3.29Å; I538-L542 PolarHBondContact O-N 3.36Å; F539-L542 WeakPolarHBondContact O-CB 3.42Å; F539-L542 PolarHBondContact O-N 3.21Å; R540-L542 VanDerWaalsContact C-N 3.32Å; R540-L542 PolarHBondContact O-N 3.39Å; L542-N546 PolarHBondContact O-N 2.94Å; L542-N546 PolarHBondContact O-ND2 3.36Å; L542-L571 HydrophobicContact CD2-CD1 4.2Å; L542-L571 HydrophobicContact CG-CD1 4.38Å; L542-L766 HydrophobicContact CD1-CD1 3.44Å; L542-L766 VanDerWaalsContact CD1-CD1 3.44Å; L542-L766 HydrophobicContact CD2-CD1 3.79Å; L542-L766 HydrophobicContact CG-CD1 3.67Å; L542-L773 HydrophobicContact CD2-CD1 4.06Å |
| 543 | C | 87.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.5 | -52.9 | 173.3 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | F539 R540 N541 R545 N546 G547 F548 V550 | F539-C543 WeakPolarHBondContact CE1-SG 3.44Å; F539-C543 PolarHBondContact O-N 2.88Å; F539-C543 PolarHBondContact O-SG 3.48Å; R540-C543 WeakPolarHBondContact O-CB 3.26Å; R540-C543 PolarHBondContact O-N 2.81Å; N541-C543 VanDerWaalsContact C-N 3.33Å; N541-C543 PolarHBondContact O-N 3.3Å; C543-R545 VanDerWaalsContact C-N 3.33Å; C543-R545 PolarHBondContact O-N 3.22Å; C543-N546 CarbonylContact O-C 3.58Å; C543-N546 PolarHBondContact O-N 3.4Å; C543-G547 PolarHBondContact O-N 2.84Å; C543-F548 CarbonylContact C-O 3.55Å; C543-F548 HydrophobicContact CB-CB 4.34Å; C543-F548 WeakPolarHBondContact CB-O 3.4Å; C543-F548 PolarHBondContact O-N 2.93Å; C543-F548 VanDerWaalsContact O-O 3.05Å; C543-V550 HydrophobicContact CB-CG2 4.02Å |
| 544 | C | 84.6 | Confident | 85.5 | Confident | 68 Ų | 68 | 44.5 Ų | 44.5 | 46% | 0.459 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | -175.4 | -70.3 | 0 | 0 | 0 | 0 | 112.4 | R540 N541 N546 G547 F548 | R540-C544 WeakPolarHBondContact O-CB 3.39Å; R540-C544 PolarHBondContact O-N 2.94Å; R540-C544 PolarHBondContact O-SG 2.73Å; N541-C544 PolarHBondContact O-N 2.94Å; C544-N546 PolarHBondContact O-N 2.52Å; C544-G547 PolarHBondContact O-N 3.39Å; C544-G547 VanDerWaalsContact O-N 3.1Å; C544-F548 VanDerWaalsContact CA-O 3.27Å; C544-F548 WeakPolarHBondContact CA-O 3.34Å; C544-F548 PolarHBondContact N-O 2.81Å |
| 545 | R | 82.5 | Confident | 85.4 | Confident | 85 Ų | 85 | 45.3 Ų | 45.3 | 32% | 0.321 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64 | -25.6 | 177.5 | -73.4 | 174.3 | 65.9 | -178.7 | 7.6 | 113.4 | S510 Q511 L513 N541 C543 | S510-R545 PolarHBondContact O-NH1 2.82Å; Q511-R545 HydrophobicContact CG-CG 4.41Å; Q511-R545 VanDerWaalsContact O-CD 3.28Å; Q511-R545 WeakPolarHBondContact O-CD 3.48Å; Q511-R545 PolarHBondContact O-NE 2.9Å; Q511-R545 PolarHBondContact O-NH1 3.5Å; Q511-R545 VanDerWaalsContact O-NH1 3.08Å; Q511-R545 PolarHBondContact O-NH2 3.34Å; L513-R545 PolarHBondContact O-NH1 3.21Å; N541-R545 WeakPolarHBondContact O-CB 3.43Å; N541-R545 VanDerWaalsContact O-CG 3.27Å; N541-R545 WeakPolarHBondContact O-CG 3.26Å; N541-R545 PolarHBondContact O-N 2.88Å; N541-R545 WeakPolarHBondContact OD1-CD 3.27Å; C543-R545 VanDerWaalsContact C-N 3.33Å; C543-R545 PolarHBondContact O-N 3.22Å |
| 546 | N | 80.2 | Confident | 85.2 | Confident | 56 Ų | 56 | 45.6 Ų | 45.6 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 13.8 | 177.3 | -69.6 | -78.8 | 0 | 0 | 0 | 112.5 | L542 C543 C544 F548 L571 | L542-N546 PolarHBondContact O-N 2.94Å; L542-N546 PolarHBondContact O-ND2 3.36Å; C543-N546 CarbonylContact O-C 3.58Å; C543-N546 PolarHBondContact O-N 3.4Å; C544-N546 PolarHBondContact O-N 2.52Å; N546-F548 HydrophobicContact CB-CD2 4.11Å; N546-F548 HydrophobicContact CB-CE2 4.28Å; N546-F548 VanDerWaalsContact O-CD2 3.23Å; N546-F548 WeakPolarHBondContact O-CD2 3.34Å; N546-F548 WeakPolarHBondContact O-CE2 3.41Å; N546-L571 HydrophobicContact CB-CD2 3.67Å |
| 547 | G | 77.8 | Confident | 85.1 | Confident | 66 Ų | 66 | 44.9 Ų | 44.9 | 68% | 0.68 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 9.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | C543 C544 | C543-G547 PolarHBondContact O-N 2.84Å; C544-G547 PolarHBondContact O-N 3.39Å; C544-G547 VanDerWaalsContact O-N 3.1Å |
| 548 | F | 79.7 | Confident | 85 | Confident | 68 Ų | 68 | 48.9 Ų | 48.9 | 30% | 0.298 | 28% | 0.282 | S | S | . | . | trans | -112.9 | 120.5 | -179.1 | -55.6 | -71 | 0 | 0 | 0 | 110.8 | C543 C544 N546 T570 L571 | C543-F548 CarbonylContact C-O 3.55Å; C543-F548 HydrophobicContact CB-CB 4.34Å; C543-F548 WeakPolarHBondContact CB-O 3.4Å; C543-F548 PolarHBondContact O-N 2.93Å; C543-F548 VanDerWaalsContact O-O 3.05Å; C544-F548 VanDerWaalsContact CA-O 3.27Å; C544-F548 WeakPolarHBondContact CA-O 3.34Å; C544-F548 PolarHBondContact N-O 2.81Å; N546-F548 HydrophobicContact CB-CD2 4.11Å; N546-F548 HydrophobicContact CB-CE2 4.28Å; N546-F548 VanDerWaalsContact O-CD2 3.23Å; N546-F548 WeakPolarHBondContact O-CD2 3.34Å; N546-F548 WeakPolarHBondContact O-CE2 3.41Å; F548-T570 HydrophobicContact CD1-CG2 3.92Å; F548-T570 HydrophobicContact CD2-CG2 4.47Å; F548-T570 HydrophobicContact CE1-CG2 3.24Å; F548-T570 HydrophobicContact CE2-CG2 3.86Å; F548-T570 HydrophobicContact CZ-CG2 3.22Å; F548-L571 HydrophobicContact CD2-CD2 4.42Å | ||
| 549 | T | 77.9 | Confident | 85 | Confident | 129 Ų | 129 | 48.8 Ų | 48.8 | 79% | 0.791 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -97.7 | 124.5 | 174.1 | 51.6 | 0 | 0 | 0 | 0 | 109.2 | ||
| 550 | V | 82.9 | Confident | 85 | Confident | 19 Ų | 19 | 48.8 Ų | 48.8 | 12% | 0.115 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 139.9 | 169 | -167.7 | 0 | 0 | 0 | 0 | 108.5 | C543 Y564 A567 | C543-V550 HydrophobicContact CB-CG2 4.02Å; V550-Y564 HydrophobicContact CB-CD1 4.29Å; V550-Y564 HydrophobicContact CB-CE1 3.88Å; V550-Y564 HydrophobicContact CG1-CD1 3.69Å; V550-Y564 HydrophobicContact CG1-CE1 3.46Å; V550-Y564 VanDerWaalsContact CG1-CE1 3.46Å; V550-Y564 HydrophobicContact CG2-CD1 4.08Å; V550-Y564 HydrophobicContact CG2-CE1 4.04Å; V550-A567 HydrophobicContact CG2-CB 4.2Å |
| 551 | G | 75.1 | Confident | 85 | Confident | 42 Ų | 42 | 46.6 Ų | 46.6 | 43% | 0.433 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 150.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E553 K559 | G551-E553 PolarHBondContact O-N 2.73Å; G551-E553 VanDerWaalsContact O-N 3.08Å; G551-K559 VanDerWaalsContact O-CE 3.29Å; G551-K559 WeakPolarHBondContact O-CE 3.22Å; G551-K559 PolarHBondContact O-NZ 3.02Å |
| 552 | D | 75.7 | Confident | 85 | Confident | 157 Ų | 157 | 47.9 Ų | 47.9 | 84% | 0.84 | 28% | 0.283 | S | S | * | . | trans | -74.4 | 10.1 | 179.5 | -72.4 | -27.3 | 0 | 0 | 0 | 114 | ||||
| 553 | E | 83.8 | Confident | 85.1 | Confident | 78 Ų | 78 | 49.2 Ų | 49.2 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 145.9 | 176.8 | 66.9 | -170.1 | 166.2 | 0 | 0 | 111.2 | G551 K559 S563 | G551-E553 PolarHBondContact O-N 2.73Å; G551-E553 VanDerWaalsContact O-N 3.08Å; E553-K559 HydrophobicContact CG-CB 4.35Å; E553-K559 HydrophobicContact CG-CD 3.73Å; E553-K559 HydrophobicContact CG-CG 4Å; E553-K559 PolarHBondContact O-NZ 2.78Å; E553-K559 WeakPolarHBondContact OE1-CG 3.24Å; E553-S563 PolarHBondContact OE1-OG 3.3Å |
| 554 | P | 84.1 | Confident | 85.4 | Confident | 76 Ų | 76 | 49.2 Ų | 49.2 | 49% | 0.494 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 145.2 | -179.7 | 26.7 | -34.7 | 0 | 0 | 0 | 110.7 | S556 | P554-S556 PolarHBondContact O-N 2.97Å; P554-S556 VanDerWaalsContact O-N 3.11Å |
| 555 | L | 89.5 | Confident | 85.8 | Confident | 21 Ų | 21 | 46.2 Ų | 46.2 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 119.1 | 179.4 | -177.8 | 67.4 | 0 | 0 | 0 | 111 | L532 D536 I560 Y564 L777 Y781 | L532-L555 HydrophobicContact CD1-CD2 3.79Å; L532-L555 HydrophobicContact CD2-CD2 4.07Å; L532-L555 HydrophobicContact CG-CD2 3.74Å; D536-L555 HydrophobicContact CB-CD2 4.21Å; L555-I560 HydrophobicContact CD1-CD1 4.27Å; L555-I560 HydrophobicContact CD1-CG1 4Å; L555-Y564 HydrophobicContact CD1-CE2 4.2Å; L555-L777 HydrophobicContact CD1-CD1 4.36Å; L555-L777 HydrophobicContact CD1-CD2 4.16Å; L555-L777 HydrophobicContact CD2-CD1 4.03Å; L555-Y781 HydrophobicContact CD2-CD2 4.03Å; L555-Y781 HydrophobicContact CD2-CE2 4.43Å; L555-Y781 HydrophobicContact CG-CD2 4.03Å; L555-Y781 HydrophobicContact CG-CE2 4.06Å |
| 556 | S | 91.2 | Very high | 86.1 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | trans | -139.1 | 163.6 | 177.5 | 65.3 | 0 | 0 | 0 | 0 | 110.3 | P554 K558 K559 I560 Y781 | P554-S556 PolarHBondContact O-N 2.97Å; P554-S556 VanDerWaalsContact O-N 3.11Å; S556-K558 PolarHBondContact O-N 3.49Å; S556-K559 WeakPolarHBondContact O-CB 3.42Å; S556-K559 PolarHBondContact O-N 3.27Å; S556-K559 VanDerWaalsContact O-N 3.14Å; S556-K559 PolarHBondContact OG-N 2.74Å; S556-I560 WeakPolarHBondContact O-CG1 3.35Å; S556-I560 PolarHBondContact O-N 2.92Å; S556-I560 VanDerWaalsContact O-N 3.08Å; S556-Y781 WeakPolarHBondContact CA-OH 3.25Å | ||
| 557 | L | 91.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.8 | -36.2 | 173.4 | -174 | 64.9 | 0 | 0 | 0 | 110.8 | K559 I560 V561 Y781 L787 D831 T834 L835 L869 | L557-K559 VanDerWaalsContact C-N 3.35Å; L557-K559 PolarHBondContact O-N 2.95Å; L557-I560 PolarHBondContact O-N 3.04Å; L557-V561 HydrophobicContact CD1-CG2 4.28Å; L557-V561 HydrophobicContact CG-CG2 4.3Å; L557-V561 WeakPolarHBondContact O-CB 3.12Å; L557-V561 VanDerWaalsContact O-CG2 3.31Å; L557-V561 WeakPolarHBondContact O-CG2 3.25Å; L557-V561 PolarHBondContact O-N 2.81Å; L557-Y781 HydrophobicContact CB-CE1 4.05Å; L557-L787 HydrophobicContact CD2-CD1 4.24Å; L557-D831 HydrophobicContact CB-CB 4.19Å; L557-D831 VanDerWaalsContact CB-OD1 3.3Å; L557-D831 WeakPolarHBondContact CB-OD1 3.3Å; L557-D831 PolarHBondContact N-OD1 3.33Å; L557-T834 HydrophobicContact CD2-CG2 4.2Å; L557-T834 HydrophobicContact CG-CG2 4.03Å; L557-L835 HydrophobicContact CD2-CD1 4.43Å; L557-L835 HydrophobicContact CD2-CD2 3.61Å; L557-L835 HydrophobicContact CD2-CG 3.56Å; L557-L869 HydrophobicContact CD1-CD1 4.16Å; L557-L869 HydrophobicContact CD1-CD2 4.11Å; L557-L869 HydrophobicContact CD2-CD2 4.39Å |
| 558 | K | 90.3 | Very high | 87.2 | Confident | 84 Ų | 84 | 39.2 Ų | 39.2 | 37% | 0.365 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.2 | -45.4 | 172.7 | -177.1 | 179.8 | 168 | -173.7 | 0 | 111.7 | S556 V561 C562 E830 | S556-K558 PolarHBondContact O-N 3.49Å; K558-V561 PolarHBondContact O-N 2.88Å; K558-C562 WeakPolarHBondContact O-CB 3.44Å; K558-C562 PolarHBondContact O-N 2.89Å; K558-E830 IonicContact NZ-OE1 2.77Å |
| 559 | K | 91.7 | Very high | 87.4 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 176 | -176.3 | -179.8 | -161.9 | 172.2 | 0 | 111.8 | G551 E553 S556 L557 V561 S563 Y564 | G551-K559 VanDerWaalsContact O-CE 3.29Å; G551-K559 WeakPolarHBondContact O-CE 3.22Å; G551-K559 PolarHBondContact O-NZ 3.02Å; E553-K559 HydrophobicContact CG-CB 4.35Å; E553-K559 HydrophobicContact CG-CD 3.73Å; E553-K559 HydrophobicContact CG-CG 4Å; E553-K559 PolarHBondContact O-NZ 2.78Å; E553-K559 WeakPolarHBondContact OE1-CG 3.24Å; S556-K559 WeakPolarHBondContact O-CB 3.42Å; S556-K559 PolarHBondContact O-N 3.27Å; S556-K559 VanDerWaalsContact O-N 3.14Å; S556-K559 PolarHBondContact OG-N 2.74Å; L557-K559 VanDerWaalsContact C-N 3.35Å; L557-K559 PolarHBondContact O-N 2.95Å; K559-V561 VanDerWaalsContact C-N 3.33Å; K559-V561 PolarHBondContact O-N 3.39Å; K559-S563 WeakPolarHBondContact O-CA 3.42Å; K559-S563 VanDerWaalsContact O-CB 3.27Å; K559-S563 WeakPolarHBondContact O-CB 3.19Å; K559-S563 PolarHBondContact O-N 3.12Å; K559-Y564 HydrophobicContact CD-CE1 4.28Å; K559-Y564 WeakPolarHBondContact CE-OH 3.47Å; K559-Y564 HydrophobicContact CG-CE1 4.25Å; K559-Y564 PolarHBondContact O-N 3.12Å |
| 560 | I | 92.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -59.6 | -48 | 179.2 | -63.9 | 169.2 | 0 | 0 | 0 | 109.9 | L555 S556 L557 Y564 L565 L777 I778 Y781 | L555-I560 HydrophobicContact CD1-CD1 4.27Å; L555-I560 HydrophobicContact CD1-CG1 4Å; S556-I560 WeakPolarHBondContact O-CG1 3.35Å; S556-I560 PolarHBondContact O-N 2.92Å; S556-I560 VanDerWaalsContact O-N 3.08Å; L557-I560 PolarHBondContact O-N 3.04Å; I560-Y564 HydrophobicContact CG1-CD2 4.42Å; I560-Y564 WeakPolarHBondContact O-CB 3.24Å; I560-Y564 PolarHBondContact O-N 2.98Å; I560-L565 PolarHBondContact O-N 3.39Å; I560-L565 VanDerWaalsContact O-N 3.09Å; I560-L777 HydrophobicContact CD1-CD2 4.09Å; I560-L777 HydrophobicContact CD1-CG 4.01Å; I560-L777 HydrophobicContact CG1-CD2 3.84Å; I560-L777 HydrophobicContact CG1-CG 4.33Å; I560-I778 HydrophobicContact CG2-CD1 4.32Å; I560-I778 HydrophobicContact CG2-CG1 3.8Å; I560-Y781 HydrophobicContact CD1-CD1 4.47Å; I560-Y781 HydrophobicContact CD1-CD2 4.26Å; I560-Y781 HydrophobicContact CD1-CG 4.04Å |
| 561 | V | 90.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -75 | -51.6 | -174.9 | 172 | 0 | 0 | 0 | 0 | 111.6 | L557 K558 K559 L565 P566 T834 L838 H843 Q846 | L557-V561 HydrophobicContact CD1-CG2 4.28Å; L557-V561 HydrophobicContact CG-CG2 4.3Å; L557-V561 WeakPolarHBondContact O-CB 3.12Å; L557-V561 VanDerWaalsContact O-CG2 3.31Å; L557-V561 WeakPolarHBondContact O-CG2 3.25Å; L557-V561 PolarHBondContact O-N 2.81Å; K558-V561 PolarHBondContact O-N 2.88Å; K559-V561 VanDerWaalsContact C-N 3.33Å; K559-V561 PolarHBondContact O-N 3.39Å; V561-L565 HydrophobicContact CB-CD1 4.48Å; V561-L565 HydrophobicContact CG1-CD1 4.47Å; V561-L565 WeakPolarHBondContact O-CB 3.19Å; V561-P566 WeakPolarHBondContact O-CD 3.31Å; V561-T834 HydrophobicContact CB-CG2 4.2Å; V561-T834 HydrophobicContact CG1-CG2 4.4Å; V561-T834 HydrophobicContact CG2-CG2 4.12Å; V561-L838 HydrophobicContact CG1-CD2 4.17Å; V561-L838 HydrophobicContact CG2-CD1 4.04Å; V561-H843 HydrophobicContact CG1-CB 3.87Å; V561-Q846 PolarHBondContact O-OE1 3.46Å |
| 562 | C | 88.2 | Confident | 87.9 | Confident | 42 Ų | 42 | 29.4 Ų | 29.4 | 28% | 0.284 | 17% | 0.168 | S | C | . | . | I | π-helix | trans | -86.4 | -20.3 | -171.4 | -61.9 | 0 | 0 | 0 | 0 | 114.8 | K558 P566 Q846 | K558-C562 WeakPolarHBondContact O-CB 3.44Å; K558-C562 PolarHBondContact O-N 2.89Å; C562-P566 WeakPolarHBondContact O-CG 3.5Å; C562-Q846 PolarHBondContact SG-NE2 3.32Å; C562-Q846 VanDerWaalsContact SG-NE2 3.36Å |
| 563 | S | 90.6 | Very high | 87.9 | Confident | 33 Ų | 33 | 26 Ų | 26 | 23% | 0.231 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -119.1 | -44.6 | -175.2 | -49.4 | 0 | 0 | 0 | 0 | 111.8 | E553 K559 A567 | E553-S563 PolarHBondContact OE1-OG 3.3Å; K559-S563 WeakPolarHBondContact O-CA 3.42Å; K559-S563 VanDerWaalsContact O-CB 3.27Å; K559-S563 WeakPolarHBondContact O-CB 3.19Å; K559-S563 PolarHBondContact O-N 3.12Å; S563-A567 WeakPolarHBondContact O-CB 3.48Å; S563-A567 PolarHBondContact O-N 2.95Å |
| 564 | Y | 93.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -78.3 | -39.3 | -178.6 | -69.4 | -5.7 | 0 | 0 | 0 | 114.2 | D536 F539 R540 V550 L555 K559 I560 A567 L568 L774 L777 | D536-Y564 PolarHBondContact OD1-OH 3.13Å; F539-Y564 AromaticContact CD1-CD1 3.86Å; F539-Y564 HydrophobicContact CD1-CD1 3.86Å; F539-Y564 AromaticContact CD1-CD2 3.8Å; F539-Y564 HydrophobicContact CD1-CD2 3.8Å; F539-Y564 HydrophobicContact CD1-CE1 4.12Å; F539-Y564 HydrophobicContact CD1-CE2 4.07Å; F539-Y564 AromaticContact CD1-CG 3.72Å; F539-Y564 HydrophobicContact CD1-CG 3.72Å; F539-Y564 AromaticContact CE1-CD1 3.7Å; F539-Y564 HydrophobicContact CE1-CD1 3.7Å; F539-Y564 HydrophobicContact CE1-CD2 4.07Å; F539-Y564 HydrophobicContact CE1-CE1 4.38Å; F539-Y564 AromaticContact CE1-CG 3.54Å; F539-Y564 HydrophobicContact CE1-CG 3.54Å; R540-Y564 HydrophobicContact CG-CE1 4.37Å; R540-Y564 WeakPolarHBondContact CG-OH 3.28Å; V550-Y564 HydrophobicContact CB-CD1 4.29Å; V550-Y564 HydrophobicContact CB-CE1 3.88Å; V550-Y564 HydrophobicContact CG1-CD1 3.69Å; V550-Y564 HydrophobicContact CG1-CE1 3.46Å; V550-Y564 VanDerWaalsContact CG1-CE1 3.46Å; V550-Y564 HydrophobicContact CG2-CD1 4.08Å; V550-Y564 HydrophobicContact CG2-CE1 4.04Å; L555-Y564 HydrophobicContact CD1-CE2 4.2Å; K559-Y564 HydrophobicContact CD-CE1 4.28Å; K559-Y564 WeakPolarHBondContact CE-OH 3.47Å; K559-Y564 HydrophobicContact CG-CE1 4.25Å; K559-Y564 PolarHBondContact O-N 3.12Å; I560-Y564 HydrophobicContact CG1-CD2 4.42Å; I560-Y564 WeakPolarHBondContact O-CB 3.24Å; I560-Y564 PolarHBondContact O-N 2.98Å; Y564-A567 PolarHBondContact O-N 3.18Å; Y564-L568 PolarHBondContact O-N 2.73Å; Y564-L774 HydrophobicContact CD2-CD2 3.71Å; Y564-L774 HydrophobicContact CG-CD2 4.06Å; Y564-L777 HydrophobicContact CD2-CD2 3.52Å; Y564-L777 HydrophobicContact CE2-CD2 3.53Å |
| 565 | L | 91.6 | Very high | 86.4 | Confident | 5 Ų | 5 | 23.1 Ų | 23.1 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63 | -43.8 | 176.4 | -65.2 | 171.8 | 0 | 0 | 0 | 112.9 | I560 V561 A567 L568 G569 L774 Q846 V847 L862 L866 | I560-L565 PolarHBondContact O-N 3.39Å; I560-L565 VanDerWaalsContact O-N 3.09Å; V561-L565 HydrophobicContact CB-CD1 4.48Å; V561-L565 HydrophobicContact CG1-CD1 4.47Å; V561-L565 WeakPolarHBondContact O-CB 3.19Å; L565-A567 PolarHBondContact O-N 2.97Å; L565-L568 WeakPolarHBondContact O-CB 3.05Å; L565-L568 PolarHBondContact O-N 2.8Å; L565-G569 PolarHBondContact O-N 3.12Å; L565-L774 HydrophobicContact CD2-CD1 4.07Å; L565-Q846 CarbonylContact C-O 3.57Å; L565-V847 HydrophobicContact CD1-CG2 4Å; L565-L862 HydrophobicContact CD2-CD2 4.31Å; L565-L866 HydrophobicContact CD1-CD1 4.31Å; L565-L866 HydrophobicContact CD1-CD2 3.95Å; L565-L866 HydrophobicContact CD2-CD1 4.06Å; L565-L866 HydrophobicContact CD2-CD2 4.38Å |
| 566 | P | 89.3 | Confident | 84.7 | Confident | 46 Ų | 46 | 26 Ų | 26 | 30% | 0.299 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 172.7 | -26.9 | 38.1 | 0 | 0 | 0 | 112.5 | V561 C562 L568 G569 T570 Q846 | V561-P566 WeakPolarHBondContact O-CD 3.31Å; C562-P566 WeakPolarHBondContact O-CG 3.5Å; P566-L568 VanDerWaalsContact C-N 3.28Å; P566-L568 PolarHBondContact O-N 2.7Å; P566-G569 WeakPolarHBondContact O-CA 3.32Å; P566-G569 PolarHBondContact O-N 2.99Å; P566-T570 PolarHBondContact O-N 3.44Å; P566-T570 VanDerWaalsContact O-N 3.15Å; P566-T570 PolarHBondContact O-OG1 3.06Å; P566-Q846 HydrophobicContact CG-CB 4.23Å |
| 567 | A | 89.9 | Confident | 82.3 | Confident | 11 Ų | 11 | 34.1 Ų | 34.1 | 9% | 0.091 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.2 | -37.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F539 V550 S563 Y564 L565 G569 T570 L571 | F539-A567 HydrophobicContact CE1-CB 4.47Å; V550-A567 HydrophobicContact CG2-CB 4.2Å; S563-A567 WeakPolarHBondContact O-CB 3.48Å; S563-A567 PolarHBondContact O-N 2.95Å; Y564-A567 PolarHBondContact O-N 3.18Å; L565-A567 PolarHBondContact O-N 2.97Å; A567-G569 VanDerWaalsContact C-N 3.31Å; A567-G569 PolarHBondContact O-N 3.25Å; A567-T570 PolarHBondContact O-N 3.01Å; A567-L571 WeakPolarHBondContact O-CG 3.49Å; A567-L571 PolarHBondContact O-N 3.39Å |
| 568 | L | 90.5 | Very high | 79.7 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60 | -41.3 | 173.1 | -179 | 66.6 | 0 | 0 | 0 | 112.1 | F539 Y564 L565 P566 T570 L571 A572 L767 L774 L862 | F539-L568 HydrophobicContact CZ-CB 4.46Å; Y564-L568 PolarHBondContact O-N 2.73Å; L565-L568 WeakPolarHBondContact O-CB 3.05Å; L565-L568 PolarHBondContact O-N 2.8Å; P566-L568 VanDerWaalsContact C-N 3.28Å; P566-L568 PolarHBondContact O-N 2.7Å; L568-T570 VanDerWaalsContact C-N 3.3Å; L568-T570 PolarHBondContact O-N 2.61Å; L568-L571 WeakPolarHBondContact O-CB 3.2Å; L568-L571 PolarHBondContact O-N 3.16Å; L568-A572 PolarHBondContact O-N 3.27Å; L568-L767 HydrophobicContact CD1-CD1 3.97Å; L568-L767 HydrophobicContact CD2-CD1 4.14Å; L568-L767 HydrophobicContact CG-CD1 3.87Å; L568-L774 HydrophobicContact CB-CD1 4.02Å; L568-L774 HydrophobicContact CD2-CD1 4.03Å; L568-L862 HydrophobicContact CD2-CD2 3.5Å; L568-L862 VanDerWaalsContact CD2-CD2 3.5Å |
| 569 | G | 84.3 | Confident | 76.8 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59 | -41.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L565 P566 A567 A572 Q573 S848 | L565-G569 PolarHBondContact O-N 3.12Å; P566-G569 WeakPolarHBondContact O-CA 3.32Å; P566-G569 PolarHBondContact O-N 2.99Å; A567-G569 VanDerWaalsContact C-N 3.31Å; A567-G569 PolarHBondContact O-N 3.25Å; G569-A572 WeakPolarHBondContact O-CB 3.17Å; G569-A572 PolarHBondContact O-N 3Å; G569-Q573 PolarHBondContact O-N 3.45Å; G569-S848 WeakPolarHBondContact CA-OG 3.46Å |
| 570 | T | 84.1 | Confident | 73.9 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -73 | -33.2 | 177.8 | -35.4 | 0 | 0 | 0 | 0 | 112.7 | F548 P566 A567 L568 A572 Q573 S574 | F548-T570 HydrophobicContact CD1-CG2 3.92Å; F548-T570 HydrophobicContact CD2-CG2 4.47Å; F548-T570 HydrophobicContact CE1-CG2 3.24Å; F548-T570 HydrophobicContact CE2-CG2 3.86Å; F548-T570 HydrophobicContact CZ-CG2 3.22Å; P566-T570 PolarHBondContact O-N 3.44Å; P566-T570 VanDerWaalsContact O-N 3.15Å; P566-T570 PolarHBondContact O-OG1 3.06Å; A567-T570 PolarHBondContact O-N 3.01Å; L568-T570 VanDerWaalsContact C-N 3.3Å; L568-T570 PolarHBondContact O-N 2.61Å; T570-A572 VanDerWaalsContact C-N 3.31Å; T570-A572 PolarHBondContact O-N 3.02Å; T570-Q573 CarbonylContact O-C 3.59Å; T570-Q573 PolarHBondContact O-N 3.12Å; T570-Q573 VanDerWaalsContact O-N 3.16Å; T570-S574 PolarHBondContact O-N 3.28Å; T570-S574 VanDerWaalsContact O-N 3.15Å; T570-S574 PolarHBondContact O-OG 3.15Å; T570-S574 VanDerWaalsContact O-OG 3.08Å |
| 571 | L | 83 | Confident | 70.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.5 | -41 | 170.7 | -72.9 | 174.7 | 0 | 0 | 0 | 111.4 | F539 L542 N546 F548 A567 L568 Q573 S574 L766 | F539-L571 HydrophobicContact CE2-CD1 4.37Å; F539-L571 HydrophobicContact CZ-CD1 4.34Å; L542-L571 HydrophobicContact CD2-CD1 4.2Å; L542-L571 HydrophobicContact CG-CD1 4.38Å; N546-L571 HydrophobicContact CB-CD2 3.67Å; F548-L571 HydrophobicContact CD2-CD2 4.42Å; A567-L571 WeakPolarHBondContact O-CG 3.49Å; A567-L571 PolarHBondContact O-N 3.39Å; L568-L571 WeakPolarHBondContact O-CB 3.2Å; L568-L571 PolarHBondContact O-N 3.16Å; L571-Q573 PolarHBondContact O-N 3.2Å; L571-S574 VanDerWaalsContact O-CB 3.31Å; L571-S574 WeakPolarHBondContact O-CB 3.19Å; L571-S574 PolarHBondContact O-N 2.84Å; L571-S574 PolarHBondContact O-OG 3.43Å; L571-L766 HydrophobicContact CB-CD2 4.1Å; L571-L766 HydrophobicContact CB-CG 4.13Å; L571-L766 HydrophobicContact CD2-CD2 3.92Å; L571-L766 HydrophobicContact CD2-CG 4.34Å; L571-L766 WeakPolarHBondContact O-CD2 3.41Å |
| 572 | A | 79.3 | Confident | 68.1 | Low | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61 | -28.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L568 G569 T570 V761 L762 N763 L767 A850 | L568-A572 PolarHBondContact O-N 3.27Å; G569-A572 WeakPolarHBondContact O-CB 3.17Å; G569-A572 PolarHBondContact O-N 3Å; T570-A572 VanDerWaalsContact C-N 3.31Å; T570-A572 PolarHBondContact O-N 3.02Å; A572-V761 HydrophobicContact CB-CG1 4.46Å; A572-L762 PolarHBondContact O-N 3.23Å; A572-N763 PolarHBondContact O-N 3.47Å; A572-N763 VanDerWaalsContact O-N 3.07Å; A572-L767 HydrophobicContact CB-CB 4.05Å; A572-L767 HydrophobicContact CB-CD1 4.09Å; A572-L767 HydrophobicContact CB-CD2 4.17Å; A572-L767 HydrophobicContact CB-CG 4.32Å; A572-A850 HydrophobicContact CB-CB 4.47Å |
| 573 | Q | 76.4 | Confident | 65 | Low | 84 Ų | 84 | 62.7 Ų | 62.7 | 39% | 0.393 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -1.7 | 178.9 | -65.2 | 174.4 | -11.5 | 0 | 0 | 113.1 | G569 T570 L571 L762 | G569-Q573 PolarHBondContact O-N 3.45Å; T570-Q573 CarbonylContact O-C 3.59Å; T570-Q573 PolarHBondContact O-N 3.12Å; T570-Q573 VanDerWaalsContact O-N 3.16Å; L571-Q573 PolarHBondContact O-N 3.2Å; Q573-L762 VanDerWaalsContact O-CD1 3.27Å; Q573-L762 WeakPolarHBondContact O-CD1 3.36Å |
| 574 | S | 72.3 | Confident | 62.1 | Low | 8 Ų | 8 | 71.4 Ų | 71.4 | 6% | 0.056 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -70.7 | 133.4 | 177.8 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | T570 L571 S576 N763 | T570-S574 PolarHBondContact O-N 3.28Å; T570-S574 VanDerWaalsContact O-N 3.15Å; T570-S574 PolarHBondContact O-OG 3.15Å; T570-S574 VanDerWaalsContact O-OG 3.08Å; L571-S574 VanDerWaalsContact O-CB 3.31Å; L571-S574 WeakPolarHBondContact O-CB 3.19Å; L571-S574 PolarHBondContact O-N 2.84Å; L571-S574 PolarHBondContact O-OG 3.43Å; S574-S576 PolarHBondContact O-N 3.47Å; S574-N763 VanDerWaalsContact O-CB 3.25Å; S574-N763 WeakPolarHBondContact O-CB 3.43Å |
| 575 | P | 64.9 | Low | 58.9 | Low | 87 Ų | 87 | 77.9 Ų | 77.9 | 57% | 0.565 | 44% | 0.439 | S | S | * | . | trans | -65.1 | 136.4 | -175.4 | 27.3 | -34.6 | 0 | 0 | 0 | 110.6 | F577 | P575-F577 HydrophobicContact CB-CD2 3.78Å; P575-F577 HydrophobicContact CB-CE2 4.09Å; P575-F577 HydrophobicContact CG-CD2 4.26Å; P575-F577 PolarHBondContact O-N 3.23Å | ||
| 576 | S | 52.2 | Low | 55.8 | Low | 81 Ų | 81 | 82.8 Ų | 82.8 | 57% | 0.566 | 47% | 0.474 | S | S | * | . | trans | -73.8 | 76.7 | 176.5 | -164.4 | 0 | 0 | 0 | 0 | 109.8 | S574 | S574-S576 PolarHBondContact O-N 3.47Š| ||
| 577 | F | 41.3 | Very low | 52.9 | Low | 176 Ų | 176 | 89.6 Ų | 89.6 | 77% | 0.772 | 50% | 0.501 | S | S | * | . | trans | -109.2 | 107.8 | 173.1 | -82.8 | -69.2 | 0 | 0 | 0 | 111.8 | P575 S579 | P575-F577 HydrophobicContact CB-CD2 3.78Å; P575-F577 HydrophobicContact CB-CE2 4.09Å; P575-F577 HydrophobicContact CG-CD2 4.26Å; P575-F577 PolarHBondContact O-N 3.23Å; F577-S579 VanDerWaalsContact C-N 3.3Å; F577-S579 PolarHBondContact O-N 3.42Å | ||
| 578 | A | 36.2 | Very low | 49.8 | Very low | 105 Ų | 105 | 94.4 Ų | 94.4 | 87% | 0.868 | 53% | 0.534 | S | S | * | . | trans | -63.3 | 92.8 | 148.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 579 | S | 30.1 | Very low | 46.6 | Very low | 79 Ų | 79 | 100.4 Ų | 100.4 | 55% | 0.552 | 57% | 0.574 | S | S | * | * | trans | -154.6 | 101.7 | 150.4 | -173.4 | 0 | 0 | 0 | 0 | 107 | F577 K581 | F577-S579 VanDerWaalsContact C-N 3.3Å; F577-S579 PolarHBondContact O-N 3.42Å; S579-K581 PolarHBondContact O-N 3.18Å | ||
| 580 | Y | 30.4 | Very low | 43.8 | Very low | 165 Ų | 165 | 106.8 Ų | 106.8 | 65% | 0.647 | 61% | 0.613 | S | S | * | * | trans | -61.1 | 81.3 | 157.8 | -78.5 | -87.9 | 0 | 0 | 0 | 107.4 | D512 T582 | D512-Y580 PolarHBondContact O-OH 3.35Å; Y580-T582 VanDerWaalsContact C-N 3.27Å; Y580-T582 PolarHBondContact O-N 3.24Å | ||
| 581 | K | 28 | Very low | 41 | Very low | 182 Ų | 182 | 110.2 Ų | 110.2 | 79% | 0.791 | 64% | 0.639 | S | S | * | * | trans | -69.2 | 97.9 | 159.4 | -84.1 | -173.7 | 177.8 | 176.6 | 0 | 105.9 | S579 G583 | S579-K581 PolarHBondContact O-N 3.18Å; K581-G583 PolarHBondContact O-N 2.93Å | ||
| 582 | T | 32.9 | Very low | 38.3 | Very low | 144 Ų | 144 | 119.7 Ų | 119.7 | 88% | 0.883 | 68% | 0.683 | S | S | * | * | trans | -56.2 | 75.2 | 151.6 | 37.3 | 0 | 0 | 0 | 0 | 108.8 | Y580 | Y580-T582 VanDerWaalsContact C-N 3.27Å; Y580-T582 PolarHBondContact O-N 3.24Å | ||
| 583 | G | 24.7 | Very low | 35.6 | Very low | 56 Ų | 56 | 122.8 Ų | 122.8 | 58% | 0.577 | 72% | 0.715 | S | S | * | * | trans | -97.4 | 100.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | K581 T585 | K581-G583 PolarHBondContact O-N 2.93Å; G583-T585 PolarHBondContact O-N 3.44Å; G583-T585 VanDerWaalsContact O-N 3.09Å | ||
| 584 | K | 29.5 | Very low | 33.1 | Very low | 215 Ų | 215 | 125.2 Ų | 125.2 | 94% | 0.935 | 74% | 0.735 | S | S | * | * | trans | -51.8 | 114.3 | 166.3 | -72.5 | 176 | 176.1 | 176.3 | 0 | 108.9 | ||||
| 585 | T | 26 | Very low | 30.8 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | trans | -88.7 | 131.1 | 156.1 | 43.1 | 0 | 0 | 0 | 0 | 108.7 | G583 | G583-T585 PolarHBondContact O-N 3.44Å; G583-T585 VanDerWaalsContact O-N 3.09Å | ||
| 586 | S | 26.7 | Very low | 28.8 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -66.1 | 121.3 | -169.2 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 587 | H | 28.1 | Very low | 27.4 | Very low | 189 Ų | 189 | 138.3 Ų | 138.3 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | trans | -125 | 122.8 | 144 | -76.7 | -63.1 | 0 | 0 | 0 | 109.3 | ||||
| 588 | S | 25.7 | Very low | 26.5 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -56.4 | 132.1 | 174.7 | 54.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 589 | C | 23.8 | Very low | 25.9 | Very low | 128 Ų | 128 | 136 Ų | 136 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | -164.1 | 128.6 | 136.7 | -100.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 590 | T | 23.4 | Very low | 25.4 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | trans | -69.1 | 130.9 | 179.7 | 41.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 591 | S | 27.3 | Very low | 25.5 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -171 | 129.7 | 131.9 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 592 | Q | 25.6 | Very low | 25.3 | Very low | 200 Ų | 200 | 131.1 Ų | 131.1 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | trans | -41.8 | 147.4 | 166.6 | -61.9 | 154.9 | -22.7 | 0 | 0 | 111.6 | ||||
| 593 | G | 22 | Very low | 24.8 | Very low | 65 Ų | 65 | 129.8 Ų | 129.8 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | cis | 120.5 | 105.4 | 21.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 594 | T | 24.4 | Very low | 24.7 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | 169 | 104.1 | 151.5 | 42 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 595 | S | 22.8 | Very low | 24.4 | Very low | 94 Ų | 94 | 133 Ų | 133 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | 87.8 | 118 | 70.9 | 78.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 596 | R | 23.6 | Very low | 24.3 | Very low | 221 Ų | 221 | 132 Ų | 132 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | 128.5 | 121.8 | 127.3 | -77.2 | -176.9 | 176.4 | 179.4 | -1.5 | 117.1 | |||||
| 597 | T | 22.6 | Very low | 24.6 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | 60.3 | 135.8 | 134.6 | 61.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 598 | G | 22.8 | Very low | 24.6 | Very low | 65 Ų | 65 | 132.1 Ų | 132.1 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | cis | 161.8 | 169.6 | 12.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 599 | N | 23.2 | Very low | 24.7 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | 85.5 | 106.2 | 162.7 | -55.5 | -8.7 | 0 | 0 | 0 | 118.9 | ||||
| 600 | A | 20.6 | Very low | 25 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | -65.9 | 171.7 | 140.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 601 | P | 32.9 | Very low | 25.4 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | cis | -148.5 | 168.1 | 26.2 | 40.5 | -18.8 | 0 | 0 | 0 | 118.5 | ||||
| 602 | V | 23.9 | Very low | 25.6 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | 67.8 | 134.4 | 142.5 | 176.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 603 | T | 21.5 | Very low | 26 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | cis | -171.2 | 168 | 44.4 | -5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 604 | E | 22.5 | Very low | 26.9 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | 77.9 | 101 | 153.8 | -74.9 | 177.6 | -156 | 0 | 0 | 117.9 | ||||
| 605 | E | 23.4 | Very low | 28.1 | Very low | 178 Ų | 178 | 138.8 Ų | 138.8 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | 96.4 | 114.6 | 75.5 | -89.1 | -167.9 | -175 | 0 | 0 | 110.5 | |||||
| 606 | S | 24 | Very low | 29.5 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -139.4 | 127 | 164.8 | -49.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 607 | P | 33.2 | Very low | 31.1 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | trans | -84.4 | -176.9 | -176.8 | 35 | -32.3 | 0 | 0 | 0 | 111.4 | ||||
| 608 | E | 26.8 | Very low | 33.3 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | trans | 92.6 | 65.5 | 172.8 | -54.1 | -178.3 | -171 | 0 | 0 | 115.9 | ||||
| 609 | R | 28.7 | Very low | 36.2 | Very low | 251 Ų | 251 | 136.6 Ų | 136.6 | 95% | 0.947 | 72% | 0.724 | S | S | * | * | trans | -111.6 | 101.6 | 141.6 | -79.5 | -174.7 | 178.5 | 179.5 | -0.2 | 108.2 | N611 | R609-N611 PolarHBondContact O-N 3.22Š| ||
| 610 | E | 29.8 | Very low | 39.1 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | trans | -69.8 | 125.3 | 165.3 | -78.9 | -173.1 | 141.6 | 0 | 0 | 110.2 | ||||
| 611 | N | 32.8 | Very low | 42.2 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 81% | 0.807 | 70% | 0.7 | S | S | * | * | trans | 62.1 | 55.8 | 148.7 | -58.6 | -21.4 | 0 | 0 | 0 | 120 | R609 | R609-N611 PolarHBondContact O-N 3.22Š| ||
| 612 | A | 30.6 | Very low | 44.6 | Very low | 81 Ų | 81 | 128.8 Ų | 128.8 | 67% | 0.669 | 69% | 0.685 | S | S | * | * | trans | -96.7 | 132.6 | 146.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | R614 | A612-R614 PolarHBondContact O-N 3.15Š| ||
| 613 | P | 34.8 | Very low | 47.6 | Very low | 84 Ų | 84 | 122.9 Ų | 122.9 | 55% | 0.545 | 65% | 0.649 | S | S | . | * | trans | -60.2 | 112.4 | 176.9 | 23.1 | -30.2 | 0 | 0 | 0 | 109.8 | G615 L645 | P613-G615 PolarHBondContact O-N 3.29Å; P613-L645 HydrophobicContact CG-CD1 4.31Å; P613-L645 HydrophobicContact CG-CD2 4.31Å | ||
| 614 | R | 40.6 | Very low | 50.9 | Low | 255 Ų | 255 | 118.3 Ų | 118.3 | 96% | 0.962 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 106.4 | 179.6 | -70.9 | -177.9 | -178.2 | -162.9 | 0.3 | 109.4 | A612 | A612-R614 PolarHBondContact O-N 3.15Š|
| 615 | G | 49.2 | Very low | 54.2 | Low | 38 Ų | 38 | 111.2 Ų | 111.2 | 39% | 0.392 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 156.1 | -17.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | P613 N617 R618 | P613-G615 PolarHBondContact O-N 3.29Å; G615-N617 PolarHBondContact O-N 3.48Å; G615-R618 WeakPolarHBondContact O-CB 3.47Å; G615-R618 PolarHBondContact O-N 3.31Å; G615-R618 VanDerWaalsContact O-N 3.14Å |
| 616 | M | 52.7 | Low | 57.3 | Low | 44 Ų | 44 | 106.7 Ų | 106.7 | 22% | 0.217 | 57% | 0.569 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -58.6 | -39.5 | -171.7 | -143.2 | 87 | 173.4 | 0 | 0 | 115.2 | R618 I642 L645 | M616-R618 VanDerWaalsContact C-N 3.32Å; M616-I642 VanDerWaalsContact CE-CA 3.5Å; M616-I642 HydrophobicContact CE-CB 3.52Å; M616-I642 HydrophobicContact CE-CG1 3.4Å; M616-I642 VanDerWaalsContact CE-CG1 3.4Å; M616-I642 HydrophobicContact CE-CG2 3.34Å; M616-L645 HydrophobicContact CE-CD1 3.21Å; M616-L645 HydrophobicContact CE-CG 4.45Å; M616-L645 HydrophobicContact SD-CD1 3.54Å; M616-L645 VanDerWaalsContact SD-CD1 3.54Å |
| 617 | N | 57.3 | Low | 60.6 | Low | 150 Ų | 150 | 101.5 Ų | 101.5 | 80% | 0.802 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 8 | -176.6 | -62.8 | -17.2 | 0 | 0 | 0 | 112.8 | G615 V619 | G615-N617 PolarHBondContact O-N 3.48Å; N617-V619 PolarHBondContact O-N 3.34Å |
| 618 | R | 68.6 | Low | 63.5 | Low | 203 Ų | 203 | 95.9 Ų | 95.9 | 77% | 0.766 | 50% | 0.495 | S | S | * | . | trans | -76.4 | 122.4 | 173 | -70.9 | -174.3 | 174.2 | -176.4 | -1.5 | 108.6 | G615 M616 | G615-R618 WeakPolarHBondContact O-CB 3.47Å; G615-R618 PolarHBondContact O-N 3.31Å; G615-R618 VanDerWaalsContact O-N 3.14Å; M616-R618 VanDerWaalsContact C-N 3.32Å | ||
| 619 | V | 82.8 | Confident | 66.7 | Low | 75 Ų | 75 | 91.7 Ų | 91.7 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | trans | -97.3 | 151.5 | 173.7 | -65.4 | 0 | 0 | 0 | 0 | 110.4 | N617 G623 E624 T625 | N617-V619 PolarHBondContact O-N 3.34Å; V619-G623 WeakPolarHBondContact CG1-O 3.41Å; V619-E624 WeakPolarHBondContact CA-O 3.35Å; V619-T625 HydrophobicContact CG1-CG2 3.82Å | ||
| 620 | N | 84.9 | Confident | 69.8 | Low | 51 Ų | 51 | 79.7 Ų | 79.7 | 27% | 0.273 | 43% | 0.426 | S | S | . | . | trans | -80.3 | -173.6 | 169.5 | 70.1 | 8.9 | 0 | 0 | 0 | 111.3 | A622 G623 E624 | N620-A622 PolarHBondContact O-N 2.94Å; N620-A622 VanDerWaalsContact O-N 3.12Å; N620-A622 WeakPolarHBondContact OD1-CA 3.25Å; N620-A622 WeakPolarHBondContact OD1-CB 3.44Å; N620-A622 PolarHBondContact OD1-N 3.47Å; N620-G623 PolarHBondContact O-N 3.35Å; N620-G623 PolarHBondContact OD1-N 2.92Å; N620-E624 PolarHBondContact N-O 2.86Å; N620-E624 VanDerWaalsContact N-O 3.12Å; N620-E624 PolarHBondContact ND2-OE2 3.11Å; N620-E624 WeakPolarHBondContact OD1-CB 3.43Å; N620-E624 PolarHBondContact OD1-N 3.1Å | ||
| 621 | A | 84.6 | Confident | 72.9 | Confident | 104 Ų | 104 | 71.3 Ų | 71.3 | 86% | 0.86 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | H655 | A621-H655 PolarHBondContact O-ND1 3.49Š|
| 622 | A | 83.6 | Confident | 75.8 | Confident | 45 Ų | 45 | 67.5 Ų | 67.5 | 37% | 0.372 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -1.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N620 E624 H655 | N620-A622 PolarHBondContact O-N 2.94Å; N620-A622 VanDerWaalsContact O-N 3.12Å; N620-A622 WeakPolarHBondContact OD1-CA 3.25Å; N620-A622 WeakPolarHBondContact OD1-CB 3.44Å; N620-A622 PolarHBondContact OD1-N 3.47Å; A622-E624 VanDerWaalsContact C-N 3.3Å; A622-E624 HydrophobicContact CB-CG 4.19Å; A622-H655 VanDerWaalsContact O-CB 3.31Å; A622-H655 WeakPolarHBondContact O-CB 3.36Å; A622-H655 PolarHBondContact O-N 3.27Å |
| 623 | G | 87.8 | Confident | 78.8 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | trans | 83.3 | 2.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V619 N620 T625 H655 | V619-G623 WeakPolarHBondContact CG1-O 3.41Å; N620-G623 PolarHBondContact O-N 3.35Å; N620-G623 PolarHBondContact OD1-N 2.92Å; G623-T625 PolarHBondContact O-N 3.36Å; G623-H655 WeakPolarHBondContact CA-NE2 3.31Å; G623-H655 PolarHBondContact N-ND1 2.97Å | ||
| 624 | E | 89.7 | Confident | 81.6 | Confident | 20 Ų | 20 | 70 Ų | 70 | 9% | 0.093 | 35% | 0.35 | C | S | . | . | trans | -71.7 | 124.2 | -178.6 | -61.7 | 173.7 | 152 | 0 | 0 | 110.6 | V619 N620 A622 H628 R629 K632 | V619-E624 WeakPolarHBondContact CA-O 3.35Å; N620-E624 PolarHBondContact N-O 2.86Å; N620-E624 VanDerWaalsContact N-O 3.12Å; N620-E624 PolarHBondContact ND2-OE2 3.11Å; N620-E624 WeakPolarHBondContact OD1-CB 3.43Å; N620-E624 PolarHBondContact OD1-N 3.1Å; A622-E624 VanDerWaalsContact C-N 3.3Å; A622-E624 HydrophobicContact CB-CG 4.19Å; E624-H628 HydrophobicContact CB-CB 3.91Å; E624-H628 HydrophobicContact CG-CB 4.32Å; E624-R629 HydrophobicContact CB-CG 4.07Å; E624-R629 IonicContact OE2-NE 3.67Å; E624-K632 IonicContact OE1-NZ 2.74Å; E624-K632 PolarHBondContact OE1-NZ 3.09Å | ||
| 625 | T | 91.4 | Very high | 84.1 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | trans | -75.2 | 170.6 | 167.8 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | V619 G623 L627 H628 R629 V652 | V619-T625 HydrophobicContact CG1-CG2 3.82Å; G623-T625 PolarHBondContact O-N 3.36Å; T625-L627 PolarHBondContact O-N 2.67Å; T625-L627 PolarHBondContact OG1-N 3.18Å; T625-H628 PolarHBondContact N-ND1 3.49Å; T625-H628 VanDerWaalsContact N-ND1 3.15Å; T625-H628 WeakPolarHBondContact O-CB 3.49Å; T625-H628 PolarHBondContact O-N 2.86Å; T625-H628 PolarHBondContact OG1-N 3.46Å; T625-H628 PolarHBondContact OG1-ND1 3.03Å; T625-R629 PolarHBondContact O-N 2.91Å; T625-V652 HydrophobicContact CG2-CG1 4.01Å; T625-V652 HydrophobicContact CG2-CG2 3.78Å | ||
| 626 | L | 89.4 | Confident | 86.1 | Confident | 84 Ų | 84 | 61.8 Ų | 61.8 | 44% | 0.44 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.9 | -35.3 | 173.5 | -169.7 | 68.4 | 0 | 0 | 0 | 112.1 | R629 A630 I642 | L626-R629 PolarHBondContact O-N 2.76Å; L626-A630 WeakPolarHBondContact O-CB 3.5Å; L626-A630 PolarHBondContact O-N 3.46Å; L626-I642 HydrophobicContact CB-CD1 4.29Å; L626-I642 HydrophobicContact CD2-CD1 3.92Å; L626-I642 HydrophobicContact CD2-CG1 4.24Å; L626-I642 HydrophobicContact CG-CD1 3.88Å |
| 627 | L | 93.2 | Very high | 87.8 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 177.9 | -172.4 | 54.3 | 0 | 0 | 0 | 111.8 | T625 R629 A630 C631 V639 I642 L643 T648 V650 P660 L676 | T625-L627 PolarHBondContact O-N 2.67Å; T625-L627 PolarHBondContact OG1-N 3.18Å; L627-R629 VanDerWaalsContact C-N 3.34Å; L627-R629 PolarHBondContact O-N 3.25Å; L627-A630 PolarHBondContact O-N 3.44Å; L627-C631 WeakPolarHBondContact O-CB 3.31Å; L627-C631 PolarHBondContact O-N 2.96Å; L627-C631 PolarHBondContact O-SG 3.05Å; L627-V639 HydrophobicContact CD1-CG1 4.14Å; L627-V639 HydrophobicContact CD1-CG2 4.24Å; L627-I642 HydrophobicContact CB-CD1 4.4Å; L627-I642 HydrophobicContact CB-CG2 4.15Å; L627-I642 HydrophobicContact CD1-CB 4.37Å; L627-I642 HydrophobicContact CD1-CD1 4.28Å; L627-I642 HydrophobicContact CD1-CG2 3.86Å; L627-I642 HydrophobicContact CD2-CG2 4.27Å; L627-I642 HydrophobicContact CG-CG2 4.3Å; L627-L643 HydrophobicContact CD2-CD2 4.41Å; L627-T648 HydrophobicContact CD2-CG2 4.31Å; L627-V650 HydrophobicContact CD2-CG1 4.28Å; L627-P660 HydrophobicContact CB-CG 4.18Å; L627-P660 HydrophobicContact CD2-CB 4.2Å; L627-P660 HydrophobicContact CD2-CG 3.9Å; L627-P660 HydrophobicContact CG-CB 3.79Å; L627-P660 HydrophobicContact CG-CG 3.78Å; L627-L676 HydrophobicContact CD1-CD2 4.44Å; L627-L676 HydrophobicContact CD2-CD2 4.44Å |
| 628 | H | 94.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56 | -49.2 | 173.5 | -70.2 | 90.6 | 0 | 0 | 0 | 111.4 | E624 T625 A630 C631 K632 V652 W658 P660 | E624-H628 HydrophobicContact CB-CB 3.91Å; E624-H628 HydrophobicContact CG-CB 4.32Å; T625-H628 PolarHBondContact N-ND1 3.49Å; T625-H628 VanDerWaalsContact N-ND1 3.15Å; T625-H628 WeakPolarHBondContact O-CB 3.49Å; T625-H628 PolarHBondContact O-N 2.86Å; T625-H628 PolarHBondContact OG1-N 3.46Å; T625-H628 PolarHBondContact OG1-ND1 3.03Å; H628-A630 PolarHBondContact O-N 3.11Å; H628-C631 PolarHBondContact O-N 3.36Å; H628-K632 VanDerWaalsContact O-CB 3.23Å; H628-K632 WeakPolarHBondContact O-CB 3.31Å; H628-K632 PolarHBondContact O-N 3.41Å; H628-V652 PolarHBondContact CE1-O 2.8Å; H628-V652 PolarHBondContact NE2-O 3.24Å; H628-W658 PolarHBondContact NE2-O 3.17Å; H628-P660 WeakPolarHBondContact NE2-CD 3.46Å |
| 629 | R | 93.3 | Very high | 90.3 | Very high | 93 Ų | 93 | 50.6 Ų | 50.6 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69 | -35.4 | -176.6 | -57.4 | -166.9 | 80.5 | 179 | 7.2 | 112.5 | E624 T625 L626 L627 R633 | E624-R629 HydrophobicContact CB-CG 4.07Å; E624-R629 IonicContact OE2-NE 3.67Å; T625-R629 PolarHBondContact O-N 2.91Å; L626-R629 PolarHBondContact O-N 2.76Å; L627-R629 VanDerWaalsContact C-N 3.34Å; L627-R629 PolarHBondContact O-N 3.25Å; R629-R633 VanDerWaalsContact O-CB 3.3Å; R629-R633 WeakPolarHBondContact O-CB 3.35Å; R629-R633 VanDerWaalsContact O-CG 3.26Å; R629-R633 WeakPolarHBondContact O-CG 3.28Å; R629-R633 PolarHBondContact O-N 3.35Å; R629-R633 VanDerWaalsContact O-N 3.1Å |
| 630 | A | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.1 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L626 L627 H628 R633 N634 Q635 T638 V639 I642 | L626-A630 WeakPolarHBondContact O-CB 3.5Å; L626-A630 PolarHBondContact O-N 3.46Å; L627-A630 PolarHBondContact O-N 3.44Å; H628-A630 PolarHBondContact O-N 3.11Å; A630-R633 CarbonylContact O-C 2.92Å; A630-R633 PolarHBondContact O-N 3.2Å; A630-N634 PolarHBondContact O-N 3.12Å; A630-N634 VanDerWaalsContact O-N 3.09Å; A630-Q635 HydrophobicContact CB-CB 4.21Å; A630-Q635 PolarHBondContact O-N 3.46Å; A630-T638 HydrophobicContact CB-CG2 4.1Å; A630-V639 HydrophobicContact CB-CG2 3.64Å; A630-I642 HydrophobicContact CB-CD1 4.23Å |
| 631 | C | 95.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 173.6 | -73.9 | 0 | 0 | 0 | 0 | 112.4 | L627 H628 R633 N634 P660 E663 A664 S669 | L627-C631 WeakPolarHBondContact O-CB 3.31Å; L627-C631 PolarHBondContact O-N 2.96Å; L627-C631 PolarHBondContact O-SG 3.05Å; H628-C631 PolarHBondContact O-N 3.36Å; C631-R633 PolarHBondContact O-N 3.47Å; C631-N634 PolarHBondContact O-N 3.05Å; C631-P660 HydrophobicContact CB-CB 4.39Å; C631-P660 WeakPolarHBondContact CB-O 3.28Å; C631-E663 HydrophobicContact CB-CB 4.44Å; C631-A664 HydrophobicContact CB-CB 3.99Å; C631-S669 VanDerWaalsContact O-CB 3.27Å; C631-S669 WeakPolarHBondContact O-CB 3.47Å; C631-S669 PolarHBondContact O-OG 3.39Å |
| 632 | K | 93.6 | Very high | 90.1 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.9 | -30.1 | 177.5 | -171.7 | 172.3 | -156.1 | 141.4 | 0 | 113.9 | E624 H628 E663 | E624-K632 IonicContact OE1-NZ 2.74Å; E624-K632 PolarHBondContact OE1-NZ 3.09Å; H628-K632 VanDerWaalsContact O-CB 3.23Å; H628-K632 WeakPolarHBondContact O-CB 3.31Å; H628-K632 PolarHBondContact O-N 3.41Å; K632-E663 HydrophobicContact CB-CB 4.34Å; K632-E663 WeakPolarHBondContact CD-OE2 3.34Å; K632-E663 WeakPolarHBondContact CE-OE2 3.49Å; K632-E663 WeakPolarHBondContact CG-OE2 3.46Å; K632-E663 IonicContact NZ-OE1 3.05Å; K632-E663 PolarHBondContact NZ-OE1 3.43Å; K632-E663 IonicContact NZ-OE2 3.92Å; K632-E663 PolarHBondContact NZ-OE2 3.14Å |
| 633 | R | 93.3 | Very high | 90 | Very high | 143 Ų | 143 | 48 Ų | 48 | 54% | 0.54 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 7.4 | -177.6 | -66 | 174.4 | 174.1 | -173.8 | -5.7 | 113.5 | R629 A630 C631 Q635 | R629-R633 VanDerWaalsContact O-CB 3.3Å; R629-R633 WeakPolarHBondContact O-CB 3.35Å; R629-R633 VanDerWaalsContact O-CG 3.26Å; R629-R633 WeakPolarHBondContact O-CG 3.28Å; R629-R633 PolarHBondContact O-N 3.35Å; R629-R633 VanDerWaalsContact O-N 3.1Å; A630-R633 CarbonylContact O-C 2.92Å; A630-R633 PolarHBondContact O-N 3.2Å; C631-R633 PolarHBondContact O-N 3.47Å; R633-Q635 VanDerWaalsContact C-N 3.26Å; R633-Q635 HydrophobicContact CB-CG 3.93Å; R633-Q635 PolarHBondContact O-N 3.42Å |
| 634 | N | 93 | Very high | 89.5 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 38.8 | -174.9 | -161.1 | 32.9 | 0 | 0 | 0 | 114.3 | A630 C631 V636 S669 | A630-N634 PolarHBondContact O-N 3.12Å; A630-N634 VanDerWaalsContact O-N 3.09Å; C631-N634 PolarHBondContact O-N 3.05Å; N634-V636 VanDerWaalsContact C-N 3.32Å; N634-V636 PolarHBondContact O-N 3.35Å; N634-V636 VanDerWaalsContact O-N 3.07Å; N634-S669 WeakPolarHBondContact CB-OG 3.46Å; N634-S669 WeakPolarHBondContact OD1-CA 3.44Å; N634-S669 WeakPolarHBondContact OD1-CB 3.5Å |
| 635 | Q | 94.8 | Very high | 88.6 | Confident | 78 Ų | 78 | 53.6 Ų | 53.6 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | trans | -84.7 | 72.8 | 179.5 | -66.8 | -178.1 | -25.5 | 0 | 0 | 110.9 | A630 R633 E637 T638 V639 | A630-Q635 HydrophobicContact CB-CB 4.21Å; A630-Q635 PolarHBondContact O-N 3.46Å; R633-Q635 VanDerWaalsContact C-N 3.26Å; R633-Q635 HydrophobicContact CB-CG 3.93Å; R633-Q635 PolarHBondContact O-N 3.42Å; Q635-E637 VanDerWaalsContact C-N 3.35Å; Q635-E637 PolarHBondContact O-N 2.96Å; Q635-T638 WeakPolarHBondContact O-CB 3.25Å; Q635-T638 PolarHBondContact O-N 3.34Å; Q635-T638 VanDerWaalsContact O-N 3.11Å; Q635-V639 PolarHBondContact O-N 3.38Å | ||
| 636 | V | 90.8 | Very high | 87.2 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 26% | 0.261 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -52.4 | -48.3 | -172.6 | -172.4 | 0 | 0 | 0 | 0 | 112.9 | N634 T638 V639 L640 E671 | N634-V636 VanDerWaalsContact C-N 3.32Å; N634-V636 PolarHBondContact O-N 3.35Å; N634-V636 VanDerWaalsContact O-N 3.07Å; V636-T638 VanDerWaalsContact C-N 3.32Å; V636-T638 PolarHBondContact O-N 2.86Å; V636-V639 WeakPolarHBondContact O-CB 3.31Å; V636-V639 PolarHBondContact O-N 2.88Å; V636-V639 VanDerWaalsContact O-N 3.13Å; V636-L640 HydrophobicContact CG1-CD1 4.26Å; V636-L640 HydrophobicContact CG1-CG 4.48Å; V636-L640 WeakPolarHBondContact O-CG 3.43Å; V636-L640 PolarHBondContact O-N 2.95Å; V636-E671 HydrophobicContact CB-CB 4.39Å; V636-E671 HydrophobicContact CG1-CB 4.02Å; V636-E671 HydrophobicContact CG2-CB 3.43Å; V636-E671 VanDerWaalsContact CG2-CB 3.43Å; V636-E671 HydrophobicContact CG2-CG 4.32Å |
| 637 | E | 88.2 | Confident | 86.1 | Confident | 119 Ų | 119 | 59.1 Ų | 59.1 | 56% | 0.556 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.1 | -40.5 | -178.6 | -174.4 | 57.9 | -154.4 | 0 | 0 | 112 | Q635 L640 Q641 | Q635-E637 VanDerWaalsContact C-N 3.35Å; Q635-E637 PolarHBondContact O-N 2.96Å; E637-L640 PolarHBondContact O-N 3.13Å; E637-Q641 WeakPolarHBondContact O-CB 3.2Å; E637-Q641 VanDerWaalsContact O-CG 3.26Å; E637-Q641 WeakPolarHBondContact O-CG 3.46Å; E637-Q641 PolarHBondContact O-N 3.07Å; E637-Q641 PolarHBondContact OE1-NE2 3.29Å; E637-Q641 VanDerWaalsContact OE1-NE2 3.14Å |
| 638 | T | 88 | Confident | 85.3 | Confident | 42 Ų | 42 | 59.9 Ų | 59.9 | 26% | 0.258 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 175.2 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | A630 Q635 V636 Q641 I642 | A630-T638 HydrophobicContact CB-CG2 4.1Å; Q635-T638 WeakPolarHBondContact O-CB 3.25Å; Q635-T638 PolarHBondContact O-N 3.34Å; Q635-T638 VanDerWaalsContact O-N 3.11Å; V636-T638 VanDerWaalsContact C-N 3.32Å; V636-T638 PolarHBondContact O-N 2.86Å; T638-Q641 PolarHBondContact O-N 3.11Å; T638-I642 HydrophobicContact CG2-CD1 3.87Å; T638-I642 HydrophobicContact CG2-CG1 4.43Å; T638-I642 WeakPolarHBondContact O-CB 3.37Å; T638-I642 WeakPolarHBondContact O-CD1 3.32Å; T638-I642 WeakPolarHBondContact O-CG1 3.49Å; T638-I642 PolarHBondContact O-N 3.27Å |
| 639 | V | 89.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.8 | -48.5 | 173.1 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | L627 A630 Q635 V636 Q641 I642 L643 C672 A675 | L627-V639 HydrophobicContact CD1-CG1 4.14Å; L627-V639 HydrophobicContact CD1-CG2 4.24Å; A630-V639 HydrophobicContact CB-CG2 3.64Å; Q635-V639 PolarHBondContact O-N 3.38Å; V636-V639 WeakPolarHBondContact O-CB 3.31Å; V636-V639 PolarHBondContact O-N 2.88Å; V636-V639 VanDerWaalsContact O-N 3.13Å; V639-Q641 VanDerWaalsContact C-N 3.35Å; V639-Q641 PolarHBondContact O-N 3.12Å; V639-I642 WeakPolarHBondContact O-CB 3.47Å; V639-I642 PolarHBondContact O-N 3.4Å; V639-I642 VanDerWaalsContact O-N 3.12Å; V639-L643 HydrophobicContact CG1-CD1 3.62Å; V639-L643 HydrophobicContact CG1-CG 4.04Å; V639-L643 WeakPolarHBondContact O-CB 3.5Å; V639-L643 WeakPolarHBondContact O-CG 3.42Å; V639-L643 PolarHBondContact O-N 3.29Å; V639-C672 HydrophobicContact CG2-CB 4.33Å; V639-A675 HydrophobicContact CG1-CB 4.08Å |
| 640 | L | 85.3 | Confident | 84.5 | Confident | 84 Ų | 84 | 60.1 Ų | 60.1 | 44% | 0.44 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 178.7 | -68.5 | 174.7 | 0 | 0 | 0 | 112.4 | V636 E637 I642 L643 A644 A675 | V636-L640 HydrophobicContact CG1-CD1 4.26Å; V636-L640 HydrophobicContact CG1-CG 4.48Å; V636-L640 WeakPolarHBondContact O-CG 3.43Å; V636-L640 PolarHBondContact O-N 2.95Å; E637-L640 PolarHBondContact O-N 3.13Å; L640-I642 VanDerWaalsContact C-N 3.31Å; L640-I642 PolarHBondContact O-N 2.76Å; L640-L643 PolarHBondContact O-N 3.16Å; L640-A644 WeakPolarHBondContact O-CB 3.38Å; L640-A644 PolarHBondContact O-N 2.96Å; L640-A675 HydrophobicContact CD2-CB 3.89Å |
| 641 | Q | 80.8 | Confident | 84.2 | Confident | 111 Ų | 111 | 61.8 Ų | 61.8 | 52% | 0.519 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 175.2 | -71.9 | 172 | 12 | 0 | 0 | 112.4 | E637 T638 V639 | E637-Q641 WeakPolarHBondContact O-CB 3.2Å; E637-Q641 VanDerWaalsContact O-CG 3.26Å; E637-Q641 WeakPolarHBondContact O-CG 3.46Å; E637-Q641 PolarHBondContact O-N 3.07Å; E637-Q641 PolarHBondContact OE1-NE2 3.29Å; E637-Q641 VanDerWaalsContact OE1-NE2 3.14Å; T638-Q641 PolarHBondContact O-N 3.11Å; V639-Q641 VanDerWaalsContact C-N 3.35Å; V639-Q641 PolarHBondContact O-N 3.12Å |
| 642 | I | 82.3 | Confident | 83.9 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 4% | 0.036 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.4 | -44.6 | 176.1 | -68.6 | 163.6 | 0 | 0 | 0 | 111.4 | M616 L626 L627 A630 T638 V639 L640 A644 L645 T648 | M616-I642 VanDerWaalsContact CE-CA 3.5Å; M616-I642 HydrophobicContact CE-CB 3.52Å; M616-I642 HydrophobicContact CE-CG1 3.4Å; M616-I642 VanDerWaalsContact CE-CG1 3.4Å; M616-I642 HydrophobicContact CE-CG2 3.34Å; L626-I642 HydrophobicContact CB-CD1 4.29Å; L626-I642 HydrophobicContact CD2-CD1 3.92Å; L626-I642 HydrophobicContact CD2-CG1 4.24Å; L626-I642 HydrophobicContact CG-CD1 3.88Å; L627-I642 HydrophobicContact CB-CD1 4.4Å; L627-I642 HydrophobicContact CB-CG2 4.15Å; L627-I642 HydrophobicContact CD1-CB 4.37Å; L627-I642 HydrophobicContact CD1-CD1 4.28Å; L627-I642 HydrophobicContact CD1-CG2 3.86Å; L627-I642 HydrophobicContact CD2-CG2 4.27Å; L627-I642 HydrophobicContact CG-CG2 4.3Å; A630-I642 HydrophobicContact CB-CD1 4.23Å; T638-I642 HydrophobicContact CG2-CD1 3.87Å; T638-I642 HydrophobicContact CG2-CG1 4.43Å; T638-I642 WeakPolarHBondContact O-CB 3.37Å; T638-I642 WeakPolarHBondContact O-CD1 3.32Å; T638-I642 WeakPolarHBondContact O-CG1 3.49Å; T638-I642 PolarHBondContact O-N 3.27Å; V639-I642 WeakPolarHBondContact O-CB 3.47Å; V639-I642 PolarHBondContact O-N 3.4Å; V639-I642 VanDerWaalsContact O-N 3.12Å; L640-I642 VanDerWaalsContact C-N 3.31Å; L640-I642 PolarHBondContact O-N 2.76Å; I642-A644 VanDerWaalsContact C-N 3.27Å; I642-A644 PolarHBondContact O-N 3.25Å; I642-L645 PolarHBondContact O-N 2.84Å; I642-T648 HydrophobicContact CG2-CG2 3.86Å; I642-T648 PolarHBondContact O-OG1 3.36Å |
| 643 | L | 81.8 | Confident | 83.8 | Confident | 18 Ų | 18 | 65.2 Ų | 65.2 | 9% | 0.094 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.3 | -24 | -179.8 | -68.2 | -178 | 0 | 0 | 0 | 112.6 | L627 V639 L640 L645 T648 V650 A675 L676 H679 | L627-L643 HydrophobicContact CD2-CD2 4.41Å; V639-L643 HydrophobicContact CG1-CD1 3.62Å; V639-L643 HydrophobicContact CG1-CG 4.04Å; V639-L643 WeakPolarHBondContact O-CB 3.5Å; V639-L643 WeakPolarHBondContact O-CG 3.42Å; V639-L643 PolarHBondContact O-N 3.29Å; L640-L643 PolarHBondContact O-N 3.16Å; L643-L645 PolarHBondContact O-N 2.95Å; L643-T648 HydrophobicContact CD2-CG2 4.31Å; L643-V650 HydrophobicContact CD2-CG1 3.44Å; L643-V650 VanDerWaalsContact CD2-CG1 3.44Å; L643-A675 HydrophobicContact CD1-CB 4.08Å; L643-L676 HydrophobicContact CD1-CD2 4.39Å; L643-L676 HydrophobicContact CD2-CD2 4.17Å; L643-H679 HydrophobicContact CD1-CB 4.25Å; L643-H679 HydrophobicContact CD2-CB 4.29Å; L643-H679 PolarHBondContact O-NE2 3.13Å |
| 644 | A | 76.8 | Confident | 83.7 | Confident | 83 Ų | 83 | 59.2 Ų | 59.2 | 69% | 0.686 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -9.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | L640 I642 | L640-A644 WeakPolarHBondContact O-CB 3.38Å; L640-A644 PolarHBondContact O-N 2.96Å; I642-A644 VanDerWaalsContact C-N 3.27Å; I642-A644 PolarHBondContact O-N 3.25Å |
| 645 | L | 71 | Confident | 83.6 | Confident | 57 Ų | 57 | 62.5 Ų | 62.5 | 30% | 0.298 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -85.6 | 135.9 | -177.5 | -71.5 | 163.3 | 0 | 0 | 0 | 112.1 | P613 M616 I642 L643 G647 T648 | P613-L645 HydrophobicContact CG-CD1 4.31Å; P613-L645 HydrophobicContact CG-CD2 4.31Å; M616-L645 HydrophobicContact CE-CD1 3.21Å; M616-L645 HydrophobicContact CE-CG 4.45Å; M616-L645 HydrophobicContact SD-CD1 3.54Å; M616-L645 VanDerWaalsContact SD-CD1 3.54Å; I642-L645 PolarHBondContact O-N 2.84Å; L643-L645 PolarHBondContact O-N 2.95Å; L645-G647 PolarHBondContact O-N 3.36Å; L645-T648 PolarHBondContact O-N 3.42Å; L645-T648 PolarHBondContact O-OG1 2.93Å; L645-T648 VanDerWaalsContact O-OG1 3.13Å |
| 646 | P | 61.9 | Low | 83.3 | Confident | 130 Ų | 130 | 61.9 Ų | 61.9 | 84% | 0.844 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 130.3 | 179.1 | -21.5 | 31.3 | 0 | 0 | 0 | 112.5 | ||
| 647 | G | 65.9 | Low | 83.2 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 85% | 0.845 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 14.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L645 D649 | L645-G647 PolarHBondContact O-N 3.36Å; G647-D649 PolarHBondContact O-N 3.17Å |
| 648 | T | 77.5 | Confident | 83.5 | Confident | 23 Ų | 23 | 58 Ų | 58 | 14% | 0.141 | 35% | 0.347 | C | S | . | . | trans | -62.7 | 119.6 | 172.6 | -66.2 | 0 | 0 | 0 | 0 | 111.3 | L627 I642 L643 L645 | L627-T648 HydrophobicContact CD2-CG2 4.31Å; I642-T648 HydrophobicContact CG2-CG2 3.86Å; I642-T648 PolarHBondContact O-OG1 3.36Å; L643-T648 HydrophobicContact CD2-CG2 4.31Å; L645-T648 PolarHBondContact O-N 3.42Å; L645-T648 PolarHBondContact O-OG1 2.93Å; L645-T648 VanDerWaalsContact O-OG1 3.13Å | ||
| 649 | D | 81.8 | Confident | 83.8 | Confident | 96 Ų | 96 | 56 Ų | 56 | 51% | 0.513 | 34% | 0.335 | S | S | . | . | trans | -88.1 | 109.1 | 173.1 | -176.1 | 5.4 | 0 | 0 | 0 | 110.7 | G647 N651 V652 | G647-D649 PolarHBondContact O-N 3.17Å; D649-N651 VanDerWaalsContact C-N 3.28Å; D649-N651 PolarHBondContact O-N 3.3Å; D649-N651 PolarHBondContact OD1-N 3.25Å; D649-V652 WeakPolarHBondContact O-CG1 3.45Å | ||
| 650 | V | 88.1 | Confident | 84 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -9.3 | 178.6 | -62.4 | 0 | 0 | 0 | 0 | 113.6 | L627 L643 L676 H679 P683 | L627-V650 HydrophobicContact CD2-CG1 4.28Å; L643-V650 HydrophobicContact CD2-CG1 3.44Å; L643-V650 VanDerWaalsContact CD2-CG1 3.44Å; V650-L676 HydrophobicContact CB-CD2 4.31Å; V650-L676 HydrophobicContact CG1-CD2 4.17Å; V650-H679 WeakPolarHBondContact CG1-ND1 3.26Å; V650-P683 HydrophobicContact CG2-CB 4.11Å |
| 651 | N | 88.8 | Confident | 84.5 | Confident | 36 Ų | 36 | 52 Ų | 52 | 19% | 0.193 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 11.7 | -179.2 | -61.7 | -56.6 | 0 | 0 | 0 | 112.9 | D649 K653 P683 V684 | D649-N651 VanDerWaalsContact C-N 3.28Å; D649-N651 PolarHBondContact O-N 3.3Å; D649-N651 PolarHBondContact OD1-N 3.25Å; N651-K653 PolarHBondContact O-N 2.99Å; N651-P683 WeakPolarHBondContact OD1-CA 3.42Å; N651-V684 PolarHBondContact OD1-N 3.18Å |
| 652 | V | 88.3 | Confident | 85.2 | Confident | 38 Ų | 38 | 46.8 Ų | 46.8 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | trans | -54.7 | 138.3 | 174.8 | 59.8 | 0 | 0 | 0 | 0 | 110.6 | T625 H628 D649 T659 P660 | T625-V652 HydrophobicContact CG2-CG1 4.01Å; T625-V652 HydrophobicContact CG2-CG2 3.78Å; H628-V652 PolarHBondContact CE1-O 2.8Å; H628-V652 PolarHBondContact NE2-O 3.24Å; D649-V652 WeakPolarHBondContact O-CG1 3.45Å; V652-T659 WeakPolarHBondContact O-CA 3.19Å; V652-P660 HydrophobicContact CG1-CG 4.01Å; V652-P660 VanDerWaalsContact O-CD 3.26Å; V652-P660 WeakPolarHBondContact O-CD 3.3Å | ||
| 653 | K | 91.4 | Very high | 85.9 | Confident | 104 Ų | 104 | 46.7 Ų | 46.7 | 45% | 0.452 | 29% | 0.289 | S | S | . | . | trans | -107.4 | 138.2 | -179.1 | -67.5 | -175.5 | 179.3 | -176.1 | 0 | 111.3 | N651 W658 T659 D687 | N651-K653 PolarHBondContact O-N 2.99Å; K653-W658 CarbonylContact C-O 3.53Å; K653-W658 VanDerWaalsContact CA-O 3.29Å; K653-W658 WeakPolarHBondContact CA-O 3.34Å; K653-T659 HydrophobicContact CG-CG2 3.97Å; K653-D687 WeakPolarHBondContact CE-OD2 3.37Å; K653-D687 IonicContact NZ-OD2 3.76Å; K653-D687 PolarHBondContact NZ-OD2 2.84Å | ||
| 654 | D | 91.5 | Very high | 86.6 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 10% | 0.096 | 29% | 0.285 | C | S | . | . | trans | -75.6 | -176.2 | 167.5 | 79.8 | -3 | 0 | 0 | 0 | 111.7 | A656 G657 W658 | D654-A656 PolarHBondContact O-N 3.33Å; D654-A656 WeakPolarHBondContact OD1-CA 3.48Å; D654-A656 WeakPolarHBondContact OD1-CB 3.42Å; D654-A656 PolarHBondContact OD1-N 3.36Å; D654-G657 PolarHBondContact O-N 3.23Å; D654-G657 PolarHBondContact OD1-N 2.82Å; D654-W658 PolarHBondContact N-O 3.26Å; D654-W658 WeakPolarHBondContact OD1-CB 3.3Å; D654-W658 PolarHBondContact OD1-N 3.49Å | ||
| 655 | H | 91.8 | Very high | 87.5 | Confident | 142 Ų | 142 | 41.9 Ų | 41.9 | 66% | 0.657 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -19.3 | -179.2 | -63.3 | 166.7 | 0 | 0 | 0 | 113.6 | A621 A622 G623 G657 | A621-H655 PolarHBondContact O-ND1 3.49Å; A622-H655 VanDerWaalsContact O-CB 3.31Å; A622-H655 WeakPolarHBondContact O-CB 3.36Å; A622-H655 PolarHBondContact O-N 3.27Å; G623-H655 WeakPolarHBondContact CA-NE2 3.31Å; G623-H655 PolarHBondContact N-ND1 2.97Å; H655-G657 VanDerWaalsContact C-N 3.35Å |
| 656 | A | 87.7 | Confident | 88.6 | Confident | 66 Ų | 66 | 41 Ų | 41 | 55% | 0.545 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -4.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | D654 V689 | D654-A656 PolarHBondContact O-N 3.33Å; D654-A656 WeakPolarHBondContact OD1-CA 3.48Å; D654-A656 WeakPolarHBondContact OD1-CB 3.42Å; D654-A656 PolarHBondContact OD1-N 3.36Å; A656-V689 WeakPolarHBondContact O-CG1 3.34Å |
| 657 | G | 89.6 | Confident | 90.2 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 21% | 0.206 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 88.9 | 0.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D654 H655 V689 | D654-G657 PolarHBondContact O-N 3.23Å; D654-G657 PolarHBondContact OD1-N 2.82Å; H655-G657 VanDerWaalsContact C-N 3.35Å; G657-V689 WeakPolarHBondContact O-CG2 3.26Å |
| 658 | W | 93.3 | Very high | 91.6 | Very high | 59 Ų | 59 | 35.6 Ų | 35.6 | 22% | 0.223 | 19% | 0.193 | C | C | . | . | trans | -68.8 | 140.1 | 180 | -75.5 | 58.4 | 0 | 0 | 0 | 110.6 | H628 K653 D654 H662 E663 N666 V689 | H628-W658 PolarHBondContact NE2-O 3.17Å; K653-W658 CarbonylContact C-O 3.53Å; K653-W658 VanDerWaalsContact CA-O 3.29Å; K653-W658 WeakPolarHBondContact CA-O 3.34Å; D654-W658 PolarHBondContact N-O 3.26Å; D654-W658 WeakPolarHBondContact OD1-CB 3.3Å; D654-W658 PolarHBondContact OD1-N 3.49Å; W658-H662 HydrophobicContact CB-CB 4.42Å; W658-H662 HydrophobicContact CD2-CB 4.05Å; W658-H662 HydrophobicContact CE3-CB 3.47Å; W658-H662 VanDerWaalsContact CE3-CB 3.47Å; W658-H662 HydrophobicContact CG-CB 4.49Å; W658-H662 HydrophobicContact CZ3-CB 3.95Å; W658-E663 HydrophobicContact CE3-CG 4.18Å; W658-N666 HydrophobicContact CH2-CB 3.97Å; W658-N666 HydrophobicContact CZ3-CB 3.61Å; W658-V689 HydrophobicContact CG-CG1 4.49Å | ||
| 659 | T | 93.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | trans | -99.1 | 163.6 | 171.1 | 70.4 | 0 | 0 | 0 | 0 | 110.3 | V652 K653 L661 H662 E663 | V652-T659 WeakPolarHBondContact O-CA 3.19Å; K653-T659 HydrophobicContact CG-CG2 3.97Å; T659-L661 PolarHBondContact O-N 3.39Å; T659-L661 VanDerWaalsContact O-N 3.1Å; T659-L661 PolarHBondContact OG1-N 3.38Å; T659-H662 PolarHBondContact N-ND1 3.13Å; T659-H662 WeakPolarHBondContact O-CB 3.45Å; T659-H662 PolarHBondContact O-N 3.43Å; T659-H662 PolarHBondContact OG1-N 2.72Å; T659-H662 PolarHBondContact OG1-ND1 3.31Å; T659-E663 PolarHBondContact O-N 3.49Å; T659-E663 VanDerWaalsContact O-N 3.11Å | ||
| 660 | P | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.6 | -28.7 | 173.1 | -26.4 | 34.2 | 0 | 0 | 0 | 113.6 | L627 H628 C631 V652 A664 | L627-P660 HydrophobicContact CB-CG 4.18Å; L627-P660 HydrophobicContact CD2-CB 4.2Å; L627-P660 HydrophobicContact CD2-CG 3.9Å; L627-P660 HydrophobicContact CG-CB 3.79Å; L627-P660 HydrophobicContact CG-CG 3.78Å; H628-P660 WeakPolarHBondContact NE2-CD 3.46Å; C631-P660 HydrophobicContact CB-CB 4.39Å; C631-P660 WeakPolarHBondContact CB-O 3.28Å; V652-P660 HydrophobicContact CG1-CG 4.01Å; V652-P660 VanDerWaalsContact O-CD 3.26Å; V652-P660 WeakPolarHBondContact O-CD 3.3Å; P660-A664 WeakPolarHBondContact O-CB 3.4Å; P660-A664 PolarHBondContact O-N 3.12Å |
| 661 | L | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.7 | -41.6 | 174.5 | -177 | 67.3 | 0 | 0 | 0 | 112.5 | T659 E663 A664 C665 V673 L676 P683 L685 P694 L710 | T659-L661 PolarHBondContact O-N 3.39Å; T659-L661 VanDerWaalsContact O-N 3.1Å; T659-L661 PolarHBondContact OG1-N 3.38Å; L661-E663 VanDerWaalsContact C-N 3.31Å; L661-E663 PolarHBondContact O-N 3.02Å; L661-A664 PolarHBondContact O-N 3.38Å; L661-C665 WeakPolarHBondContact O-CB 3.21Å; L661-C665 PolarHBondContact O-N 2.97Å; L661-C665 PolarHBondContact O-SG 3.36Å; L661-V673 HydrophobicContact CD1-CG1 4.17Å; L661-V673 HydrophobicContact CD1-CG2 4.4Å; L661-L676 HydrophobicContact CB-CD1 4.31Å; L661-L676 HydrophobicContact CD1-CD1 4.17Å; L661-P683 HydrophobicContact CD2-CB 4.19Å; L661-P683 HydrophobicContact CD2-CG 4.42Å; L661-L685 HydrophobicContact CD2-CD2 3.24Å; L661-P694 HydrophobicContact CD2-CB 4.01Å; L661-P694 HydrophobicContact CD2-CG 3.91Å; L661-P694 HydrophobicContact CG-CB 4.07Å; L661-P694 HydrophobicContact CG-CG 4.23Å; L661-L710 HydrophobicContact CD1-CD2 4.47Å |
| 662 | H | 95.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59 | -46.5 | 173.3 | -70.5 | 80.7 | 0 | 0 | 0 | 110 | W658 T659 A664 C665 N666 D687 P694 D697 | W658-H662 HydrophobicContact CB-CB 4.42Å; W658-H662 HydrophobicContact CD2-CB 4.05Å; W658-H662 HydrophobicContact CE3-CB 3.47Å; W658-H662 VanDerWaalsContact CE3-CB 3.47Å; W658-H662 HydrophobicContact CG-CB 4.49Å; W658-H662 HydrophobicContact CZ3-CB 3.95Å; T659-H662 PolarHBondContact N-ND1 3.13Å; T659-H662 WeakPolarHBondContact O-CB 3.45Å; T659-H662 PolarHBondContact O-N 3.43Å; T659-H662 PolarHBondContact OG1-N 2.72Å; T659-H662 PolarHBondContact OG1-ND1 3.31Å; H662-A664 PolarHBondContact O-N 2.61Å; H662-C665 PolarHBondContact O-N 2.76Å; H662-N666 WeakPolarHBondContact O-CB 3.39Å; H662-N666 PolarHBondContact O-N 3.44Å; H662-D687 PolarHBondContact CE1-O 3.34Å; H662-D687 PolarHBondContact NE2-O 3.31Å; H662-P694 WeakPolarHBondContact NE2-CD 3.33Å; H662-D697 IonicContact CD2-OD2 3.61Å; H662-D697 PolarHBondContact CD2-OD2 2.95Å; H662-D697 IonicContact CG-OD2 2.91Å |
| 663 | E | 95.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 176.8 | -76.2 | -71.4 | -169.1 | 0 | 0 | 112.6 | C631 K632 W658 T659 L661 H667 | C631-E663 HydrophobicContact CB-CB 4.44Å; K632-E663 HydrophobicContact CB-CB 4.34Å; K632-E663 WeakPolarHBondContact CD-OE2 3.34Å; K632-E663 WeakPolarHBondContact CE-OE2 3.49Å; K632-E663 WeakPolarHBondContact CG-OE2 3.46Å; K632-E663 IonicContact NZ-OE1 3.05Å; K632-E663 PolarHBondContact NZ-OE1 3.43Å; K632-E663 IonicContact NZ-OE2 3.92Å; K632-E663 PolarHBondContact NZ-OE2 3.14Å; W658-E663 HydrophobicContact CE3-CG 4.18Å; T659-E663 PolarHBondContact O-N 3.49Å; T659-E663 VanDerWaalsContact O-N 3.11Å; L661-E663 VanDerWaalsContact C-N 3.31Å; L661-E663 PolarHBondContact O-N 3.02Å; E663-H667 WeakPolarHBondContact O-CB 3.48Å; E663-H667 PolarHBondContact O-N 3.46Å; E663-H667 VanDerWaalsContact O-N 3.16Å; E663-H667 PolarHBondContact O-ND1 3.21Å; E663-H667 IonicContact OE2-CE1 3.84Å; E663-H667 PolarHBondContact OE2-CE1 3.36Å; E663-H667 IonicContact OE2-ND1 2.78Å; E663-H667 PolarHBondContact OE2-ND1 2.96Å; E663-H667 VanDerWaalsContact OE2-ND1 3.15Å |
| 664 | A | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.1 | -40 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C631 P660 L661 H662 G668 S669 C672 V673 L676 | C631-A664 HydrophobicContact CB-CB 3.99Å; P660-A664 WeakPolarHBondContact O-CB 3.4Å; P660-A664 PolarHBondContact O-N 3.12Å; L661-A664 PolarHBondContact O-N 3.38Å; H662-A664 PolarHBondContact O-N 2.61Å; A664-G668 PolarHBondContact O-N 2.89Å; A664-S669 PolarHBondContact O-N 2.72Å; A664-C672 HydrophobicContact CB-CB 4.39Å; A664-V673 HydrophobicContact CB-CG2 3.6Å; A664-L676 HydrophobicContact CB-CD1 4.31Å |
| 665 | C | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -71 | -42 | 179.3 | -65.9 | 0 | 0 | 0 | 0 | 111.7 | L661 H662 H667 P694 D697 A698 H703 I706 | L661-C665 WeakPolarHBondContact O-CB 3.21Å; L661-C665 PolarHBondContact O-N 2.97Å; L661-C665 PolarHBondContact O-SG 3.36Å; H662-C665 PolarHBondContact O-N 2.76Å; C665-H667 VanDerWaalsContact C-N 3.33Å; C665-H667 PolarHBondContact O-N 3.07Å; C665-P694 HydrophobicContact CB-CB 4.4Å; C665-P694 WeakPolarHBondContact CB-O 3.47Å; C665-D697 HydrophobicContact CB-CB 4.09Å; C665-A698 HydrophobicContact CB-CB 4.28Å; C665-H703 PolarHBondContact O-CD2 3.37Å; C665-I706 HydrophobicContact CB-CG2 4.38Å |
| 666 | N | 95.1 | Very high | 94 | Very high | 39 Ų | 39 | 25.1 Ų | 25.1 | 21% | 0.209 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.7 | -30.4 | 179 | -175.9 | 78.1 | 0 | 0 | 0 | 113.2 | W658 H662 D697 N701 | W658-N666 HydrophobicContact CH2-CB 3.97Å; W658-N666 HydrophobicContact CZ3-CB 3.61Å; H662-N666 WeakPolarHBondContact O-CB 3.39Å; H662-N666 PolarHBondContact O-N 3.44Å; N666-D697 HydrophobicContact CB-CB 4.23Å; N666-N701 PolarHBondContact OD1-ND2 3.4Å |
| 667 | H | 95.1 | Very high | 94 | Very high | 79 Ų | 79 | 22.2 Ų | 22.2 | 37% | 0.366 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 9.5 | -178 | -64.6 | 84.1 | 0 | 0 | 0 | 114.1 | E663 C665 S669 | E663-H667 WeakPolarHBondContact O-CB 3.48Å; E663-H667 PolarHBondContact O-N 3.46Å; E663-H667 VanDerWaalsContact O-N 3.16Å; E663-H667 PolarHBondContact O-ND1 3.21Å; E663-H667 IonicContact OE2-CE1 3.84Å; E663-H667 PolarHBondContact OE2-CE1 3.36Å; E663-H667 IonicContact OE2-ND1 2.78Å; E663-H667 PolarHBondContact OE2-ND1 2.96Å; E663-H667 VanDerWaalsContact OE2-ND1 3.15Å; C665-H667 VanDerWaalsContact C-N 3.33Å; C665-H667 PolarHBondContact O-N 3.07Å; H667-S669 VanDerWaalsContact C-N 3.3Å; H667-S669 PolarHBondContact O-N 3.03Å |
| 668 | G | 95.1 | Very high | 93.7 | Very high | 18 Ų | 18 | 27.7 Ų | 27.7 | 19% | 0.186 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 26.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A664 T670 H703 | A664-G668 PolarHBondContact O-N 2.89Å; G668-T670 VanDerWaalsContact C-N 3.26Å; G668-T670 PolarHBondContact O-N 3.29Å; G668-H703 VanDerWaalsContact CA-CD2 3.45Å; G668-H703 WeakPolarHBondContact CA-CD2 3.46Å; G668-H703 VanDerWaalsContact CA-CE1 3.42Å; G668-H703 WeakPolarHBondContact CA-CE1 3.3Å; G668-H703 VanDerWaalsContact CA-NE2 3.33Å; G668-H703 WeakPolarHBondContact CA-NE2 3.4Å; G668-H703 PolarHBondContact N-CD2 3.32Å; G668-H703 PolarHBondContact N-NE2 3.39Å; G668-H703 VanDerWaalsContact N-NE2 3.17Å |
| 669 | S | 96.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | trans | -83.7 | 66.7 | -175.2 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | C631 N634 A664 H667 E671 C672 V673 | C631-S669 VanDerWaalsContact O-CB 3.27Å; C631-S669 WeakPolarHBondContact O-CB 3.47Å; C631-S669 PolarHBondContact O-OG 3.39Å; N634-S669 WeakPolarHBondContact CB-OG 3.46Å; N634-S669 WeakPolarHBondContact OD1-CA 3.44Å; N634-S669 WeakPolarHBondContact OD1-CB 3.5Å; A664-S669 PolarHBondContact O-N 2.72Å; H667-S669 VanDerWaalsContact C-N 3.3Å; H667-S669 PolarHBondContact O-N 3.03Å; S669-E671 VanDerWaalsContact C-N 3.32Å; S669-E671 PolarHBondContact O-N 3.42Å; S669-C672 WeakPolarHBondContact O-CA 3.37Å; S669-C672 WeakPolarHBondContact O-CB 3.43Å; S669-C672 PolarHBondContact O-N 2.96Å; S669-V673 PolarHBondContact O-N 3.13Å | ||
| 670 | T | 95.5 | Very high | 91.7 | Very high | 42 Ų | 42 | 33 Ų | 33 | 26% | 0.258 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -52.1 | -43.5 | -170.4 | -54.2 | 0 | 0 | 0 | 0 | 114 | G668 V673 R674 I706 M709 | G668-T670 VanDerWaalsContact C-N 3.26Å; G668-T670 PolarHBondContact O-N 3.29Å; T670-V673 PolarHBondContact O-N 3.3Å; T670-R674 PolarHBondContact O-N 2.83Å; T670-I706 HydrophobicContact CG2-CG1 4.38Å; T670-M709 HydrophobicContact CG2-CE 3.63Å |
| 671 | E | 93.5 | Very high | 90.3 | Very high | 80 Ų | 80 | 37.3 Ų | 37.3 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -72.2 | -34.5 | -179.2 | -65.2 | -57.5 | 129.5 | 0 | 0 | 112 | V636 S669 R674 A675 | V636-E671 HydrophobicContact CB-CB 4.39Å; V636-E671 HydrophobicContact CG1-CB 4.02Å; V636-E671 HydrophobicContact CG2-CB 3.43Å; V636-E671 VanDerWaalsContact CG2-CB 3.43Å; V636-E671 HydrophobicContact CG2-CG 4.32Å; S669-E671 VanDerWaalsContact C-N 3.32Å; S669-E671 PolarHBondContact O-N 3.42Å; E671-R674 PolarHBondContact O-N 3.21Å; E671-R674 IonicContact OE1-CZ 2.8Å; E671-R674 IonicContact OE1-NH1 3.12Å; E671-R674 PolarHBondContact OE1-NH1 3.01Å; E671-R674 IonicContact OE1-NH2 3.43Å; E671-R674 PolarHBondContact OE1-NH2 3.44Å; E671-R674 IonicContact OE2-CZ 3.77Å; E671-R674 IonicContact OE2-NH1 3.17Å; E671-R674 PolarHBondContact OE2-NH1 2.98Å; E671-A675 WeakPolarHBondContact O-CB 2.8Å; E671-A675 PolarHBondContact O-N 3.3Å |
| 672 | C | 94.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.7 | -41 | 171 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | V639 A664 S669 R674 A675 L676 | V639-C672 HydrophobicContact CG2-CB 4.33Å; A664-C672 HydrophobicContact CB-CB 4.39Å; S669-C672 WeakPolarHBondContact O-CA 3.37Å; S669-C672 WeakPolarHBondContact O-CB 3.43Å; S669-C672 PolarHBondContact O-N 2.96Å; C672-R674 VanDerWaalsContact C-N 3.34Å; C672-A675 PolarHBondContact O-N 3.42Å; C672-L676 WeakPolarHBondContact O-CB 3.2Å; C672-L676 VanDerWaalsContact O-CG 3.26Å; C672-L676 WeakPolarHBondContact O-CG 3.44Å; C672-L676 PolarHBondContact O-N 3.48Å |
| 673 | V | 95.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.9 | -46.1 | 173.2 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | L661 A664 S669 T670 A675 L676 L677 I706 M709 L710 | L661-V673 HydrophobicContact CD1-CG1 4.17Å; L661-V673 HydrophobicContact CD1-CG2 4.4Å; A664-V673 HydrophobicContact CB-CG2 3.6Å; S669-V673 PolarHBondContact O-N 3.13Å; T670-V673 PolarHBondContact O-N 3.3Å; V673-A675 VanDerWaalsContact C-N 3.35Å; V673-A675 PolarHBondContact O-N 2.92Å; V673-L676 PolarHBondContact O-N 3.34Å; V673-L677 HydrophobicContact CG1-CD1 3.77Å; V673-L677 HydrophobicContact CG1-CG 4.12Å; V673-L677 WeakPolarHBondContact O-CB 3.42Å; V673-L677 VanDerWaalsContact O-CG 3.29Å; V673-L677 WeakPolarHBondContact O-CG 3.34Å; V673-L677 PolarHBondContact O-N 3.38Å; V673-I706 HydrophobicContact CG1-CG2 4.2Å; V673-I706 HydrophobicContact CG2-CD1 4.17Å; V673-I706 HydrophobicContact CG2-CG2 4Å; V673-M709 HydrophobicContact CG1-SD 4.08Å; V673-L710 HydrophobicContact CG1-CD2 4.3Å |
| 674 | R | 92.3 | Very high | 88.3 | Confident | 97 Ų | 97 | 42.1 Ų | 42.1 | 37% | 0.366 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.1 | -46.4 | 177 | -167.4 | -178.9 | -57.3 | 129.1 | 14.2 | 111.7 | T670 E671 C672 L677 H678 M709 | T670-R674 PolarHBondContact O-N 2.83Å; E671-R674 PolarHBondContact O-N 3.21Å; E671-R674 IonicContact OE1-CZ 2.8Å; E671-R674 IonicContact OE1-NH1 3.12Å; E671-R674 PolarHBondContact OE1-NH1 3.01Å; E671-R674 IonicContact OE1-NH2 3.43Å; E671-R674 PolarHBondContact OE1-NH2 3.44Å; E671-R674 IonicContact OE2-CZ 3.77Å; E671-R674 IonicContact OE2-NH1 3.17Å; E671-R674 PolarHBondContact OE2-NH1 2.98Å; C672-R674 VanDerWaalsContact C-N 3.34Å; R674-L677 PolarHBondContact O-N 3.46Å; R674-H678 PolarHBondContact O-N 3.19Å; R674-H678 VanDerWaalsContact O-N 3.1Å; R674-H678 PolarHBondContact O-ND1 3.37Å; R674-M709 HydrophobicContact CB-CE 4.26Å; R674-M709 HydrophobicContact CB-SD 3.8Å; R674-M709 HydrophobicContact CG-SD 4.24Å |
| 675 | A | 90 | Very high | 87.9 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 13% | 0.132 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V639 L640 L643 E671 C672 V673 H678 H679 | V639-A675 HydrophobicContact CG1-CB 4.08Å; L640-A675 HydrophobicContact CD2-CB 3.89Å; L643-A675 HydrophobicContact CD1-CB 4.08Å; E671-A675 WeakPolarHBondContact O-CB 2.8Å; E671-A675 PolarHBondContact O-N 3.3Å; C672-A675 PolarHBondContact O-N 3.42Å; V673-A675 VanDerWaalsContact C-N 3.35Å; V673-A675 PolarHBondContact O-N 2.92Å; A675-H678 PolarHBondContact O-N 3.29Å; A675-H679 PolarHBondContact O-N 2.9Å |
| 676 | L | 89.8 | Confident | 87.5 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 175.9 | -71.6 | 172.1 | 0 | 0 | 0 | 111.8 | L627 L643 V650 L661 A664 C672 V673 H678 H679 P683 | L627-L676 HydrophobicContact CD1-CD2 4.44Å; L627-L676 HydrophobicContact CD2-CD2 4.44Å; L643-L676 HydrophobicContact CD1-CD2 4.39Å; L643-L676 HydrophobicContact CD2-CD2 4.17Å; V650-L676 HydrophobicContact CB-CD2 4.31Å; V650-L676 HydrophobicContact CG1-CD2 4.17Å; L661-L676 HydrophobicContact CB-CD1 4.31Å; L661-L676 HydrophobicContact CD1-CD1 4.17Å; A664-L676 HydrophobicContact CB-CD1 4.31Å; C672-L676 WeakPolarHBondContact O-CB 3.2Å; C672-L676 VanDerWaalsContact O-CG 3.26Å; C672-L676 WeakPolarHBondContact O-CG 3.44Å; C672-L676 PolarHBondContact O-N 3.48Å; V673-L676 PolarHBondContact O-N 3.34Å; L676-H678 VanDerWaalsContact C-N 3.26Å; L676-H678 PolarHBondContact O-N 3.06Å; L676-H679 WeakPolarHBondContact O-CB 3.5Å; L676-H679 PolarHBondContact O-N 2.94Å; L676-H679 VanDerWaalsContact O-N 3.16Å; L676-P683 HydrophobicContact CB-CG 4.4Å; L676-P683 WeakPolarHBondContact O-CD 2.97Å |
| 677 | L | 87.5 | Confident | 87 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.6 | -25.9 | 179.1 | -70.2 | 176.3 | 0 | 0 | 0 | 113.5 | V673 R674 P683 L685 M709 L710 H713 | V673-L677 HydrophobicContact CG1-CD1 3.77Å; V673-L677 HydrophobicContact CG1-CG 4.12Å; V673-L677 WeakPolarHBondContact O-CB 3.42Å; V673-L677 VanDerWaalsContact O-CG 3.29Å; V673-L677 WeakPolarHBondContact O-CG 3.34Å; V673-L677 PolarHBondContact O-N 3.38Å; R674-L677 PolarHBondContact O-N 3.46Å; L677-P683 HydrophobicContact CD2-CG 4.18Å; L677-L685 HydrophobicContact CD2-CD1 3.94Å; L677-L685 HydrophobicContact CD2-CD2 3.62Å; L677-L685 HydrophobicContact CD2-CG 4.4Å; L677-M709 HydrophobicContact CD1-CG 3.75Å; L677-M709 HydrophobicContact CD1-SD 3.95Å; L677-L710 HydrophobicContact CD1-CD2 4.27Å; L677-L710 HydrophobicContact CD2-CD2 4.2Å; L677-H713 HydrophobicContact CD1-CB 4.36Å; L677-H713 HydrophobicContact CD2-CB 4.39Å; L677-H713 PolarHBondContact O-CE1 2.82Å |
| 678 | H | 83.6 | Confident | 86.6 | Confident | 135 Ų | 135 | 46.7 Ų | 46.7 | 63% | 0.625 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 2.9 | 176.7 | -70.5 | 78.9 | 0 | 0 | 0 | 113.4 | R674 A675 L676 | R674-H678 PolarHBondContact O-N 3.19Å; R674-H678 VanDerWaalsContact O-N 3.1Å; R674-H678 PolarHBondContact O-ND1 3.37Å; A675-H678 PolarHBondContact O-N 3.29Å; L676-H678 VanDerWaalsContact C-N 3.26Å; L676-H678 PolarHBondContact O-N 3.06Å |
| 679 | H | 75.6 | Confident | 86.2 | Confident | 25 Ų | 25 | 46.7 Ų | 46.7 | 12% | 0.116 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -83.3 | 149.7 | 177.1 | -174.3 | -98.7 | 0 | 0 | 0 | 112.1 | L643 V650 A675 L676 P681 A682 | L643-H679 HydrophobicContact CD1-CB 4.25Å; L643-H679 HydrophobicContact CD2-CB 4.29Å; L643-H679 PolarHBondContact O-NE2 3.13Å; V650-H679 WeakPolarHBondContact CG1-ND1 3.26Å; A675-H679 PolarHBondContact O-N 2.9Å; L676-H679 WeakPolarHBondContact O-CB 3.5Å; L676-H679 PolarHBondContact O-N 2.94Å; L676-H679 VanDerWaalsContact O-N 3.16Å; H679-P681 PolarHBondContact ND1-O 2.98Å; H679-P681 CarbonylContact O-C 3.55Å; H679-P681 VanDerWaalsContact O-C 3.31Å; H679-A682 VanDerWaalsContact O-CA 3.32Å; H679-A682 WeakPolarHBondContact O-CA 3.49Å; H679-A682 PolarHBondContact O-N 3.15Å |
| 680 | H | 69.3 | Low | 85.7 | Confident | 146 Ų | 146 | 51.3 Ų | 51.3 | 68% | 0.676 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -122.3 | 119.8 | 176.2 | -69.8 | -72.7 | 0 | 0 | 0 | 110.9 | ||
| 681 | P | 67.2 | Low | 85.2 | Confident | 90 Ų | 90 | 50.2 Ų | 50.2 | 58% | 0.584 | 28% | 0.282 | S | S | * | . | S | Bend | cis | -68.8 | 149.9 | 2.6 | 29.5 | -35.2 | 0 | 0 | 0 | 113.3 | H679 | H679-P681 PolarHBondContact ND1-O 2.98Å; H679-P681 CarbonylContact O-C 3.55Å; H679-P681 VanDerWaalsContact O-C 3.31Å |
| 682 | A | 73.9 | Confident | 85 | Confident | 46 Ų | 46 | 48 Ų | 48 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 150.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H679 | H679-A682 VanDerWaalsContact O-CA 3.32Å; H679-A682 WeakPolarHBondContact O-CA 3.49Å; H679-A682 PolarHBondContact O-N 3.15Å |
| 683 | P | 83.4 | Confident | 84.9 | Confident | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.058 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 148.1 | 177.4 | 29.1 | -35.3 | 0 | 0 | 0 | 111.6 | V650 N651 L661 L676 L677 L685 | V650-P683 HydrophobicContact CG2-CB 4.11Å; N651-P683 WeakPolarHBondContact OD1-CA 3.42Å; L661-P683 HydrophobicContact CD2-CB 4.19Å; L661-P683 HydrophobicContact CD2-CG 4.42Å; L676-P683 HydrophobicContact CB-CG 4.4Å; L676-P683 WeakPolarHBondContact O-CD 2.97Å; L677-P683 HydrophobicContact CD2-CG 4.18Å; P683-L685 HydrophobicContact CG-CD2 4.08Å; P683-L685 PolarHBondContact O-N 2.95Å |
| 684 | V | 86.4 | Confident | 84.9 | Confident | 53 Ų | 53 | 48.1 Ų | 48.1 | 32% | 0.321 | 28% | 0.275 | S | S | . | . | trans | -75.8 | 112.1 | 175 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | N651 D687 | N651-V684 PolarHBondContact OD1-N 3.18Å; V684-D687 HydrophobicContact CG1-CB 4.13Å; V684-D687 WeakPolarHBondContact CG1-OD1 3.2Å | ||
| 685 | L | 89.7 | Confident | 85.1 | Confident | 17 Ų | 17 | 43.5 Ų | 43.5 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -85.6 | -13.3 | -175.5 | -54.3 | -175.2 | 0 | 0 | 0 | 113.4 | L661 L677 P683 L710 A714 L718 | L661-L685 HydrophobicContact CD2-CD2 3.24Å; L677-L685 HydrophobicContact CD2-CD1 3.94Å; L677-L685 HydrophobicContact CD2-CD2 3.62Å; L677-L685 HydrophobicContact CD2-CG 4.4Å; P683-L685 HydrophobicContact CG-CD2 4.08Å; P683-L685 PolarHBondContact O-N 2.95Å; L685-L710 HydrophobicContact CD2-CD2 4.06Å; L685-A714 HydrophobicContact CD1-CB 3.69Å; L685-L718 HydrophobicContact CB-CD1 4.31Å; L685-L718 HydrophobicContact CB-CD2 3.96Å |
| 686 | T | 86.4 | Confident | 85.3 | Confident | 69 Ų | 69 | 42.8 Ų | 42.8 | 42% | 0.423 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -98.5 | -7.3 | -174.9 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | Q688 L718 Q721 | T686-Q688 PolarHBondContact O-N 3.47Å; T686-L718 HydrophobicContact CG2-CD2 3.88Å; T686-Q721 VanDerWaalsContact CA-NE2 3.25Å; T686-Q721 PolarHBondContact O-NE2 2.97Å |
| 687 | D | 84.6 | Confident | 85.5 | Confident | 44 Ų | 44 | 43 Ų | 43 | 24% | 0.235 | 25% | 0.253 | C | S | . | . | trans | -62.6 | 134.4 | -179 | -98.3 | 20.4 | 0 | 0 | 0 | 110 | K653 H662 V684 P694 | K653-D687 WeakPolarHBondContact CE-OD2 3.37Å; K653-D687 IonicContact NZ-OD2 3.76Å; K653-D687 PolarHBondContact NZ-OD2 2.84Å; H662-D687 PolarHBondContact CE1-O 3.34Å; H662-D687 PolarHBondContact NE2-O 3.31Å; V684-D687 HydrophobicContact CG1-CB 4.13Å; V684-D687 WeakPolarHBondContact CG1-OD1 3.2Å; D687-P694 VanDerWaalsContact O-CD 3.28Å; D687-P694 WeakPolarHBondContact O-CD 3.42Å | ||
| 688 | Q | 86.9 | Confident | 85.9 | Confident | 84 Ų | 84 | 42.8 Ų | 42.8 | 39% | 0.393 | 25% | 0.251 | S | S | . | . | trans | -113.7 | 136.6 | 179.4 | -71.3 | -178.4 | -29.2 | 0 | 0 | 110.4 | T686 G691 V692 T722 | T686-Q688 PolarHBondContact O-N 3.47Å; Q688-G691 VanDerWaalsContact CD-O 3.27Å; Q688-G691 PolarHBondContact NE2-O 2.87Å; Q688-V692 CarbonylContact C-O 3.55Å; Q688-V692 VanDerWaalsContact CA-O 3.24Å; Q688-V692 WeakPolarHBondContact CA-O 3.44Å; Q688-T722 PolarHBondContact NE2-O 3.13Å | ||
| 689 | V | 87.9 | Confident | 86.4 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 12% | 0.115 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -114.4 | 117.2 | 172.6 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | A656 G657 W658 G691 V692 | A656-V689 WeakPolarHBondContact O-CG1 3.34Å; G657-V689 WeakPolarHBondContact O-CG2 3.26Å; W658-V689 HydrophobicContact CG-CG1 4.49Å; V689-G691 PolarHBondContact O-N 2.94Å; V689-G691 VanDerWaalsContact O-N 3.13Å; V689-V692 PolarHBondContact N-O 3.36Å; V689-V692 PolarHBondContact O-N 2.89Å |
| 690 | A | 84.8 | Confident | 87.2 | Confident | 99 Ų | 99 | 40.5 Ų | 40.5 | 82% | 0.818 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 32.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V692 | A690-V692 VanDerWaalsContact C-N 3.33Š|
| 691 | G | 85 | Confident | 88.4 | Confident | 18 Ų | 18 | 37 Ų | 37 | 19% | 0.186 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -17.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q688 V689 D723 | Q688-G691 VanDerWaalsContact CD-O 3.27Å; Q688-G691 PolarHBondContact NE2-O 2.87Å; V689-G691 PolarHBondContact O-N 2.94Å; V689-G691 VanDerWaalsContact O-N 3.13Å; G691-D723 VanDerWaalsContact O-CA 3.3Å; G691-D723 WeakPolarHBondContact O-CA 3.45Å |
| 692 | V | 90.3 | Very high | 89.6 | Confident | 35 Ų | 35 | 35.6 Ų | 35.6 | 21% | 0.212 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -85.5 | 130.5 | -178.6 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | Q688 V689 A690 H696 D697 L700 | Q688-V692 CarbonylContact C-O 3.55Å; Q688-V692 VanDerWaalsContact CA-O 3.24Å; Q688-V692 WeakPolarHBondContact CA-O 3.44Å; V689-V692 PolarHBondContact N-O 3.36Å; V689-V692 PolarHBondContact O-N 2.89Å; A690-V692 VanDerWaalsContact C-N 3.33Å; V692-H696 HydrophobicContact CG1-CB 3.58Å; V692-D697 WeakPolarHBondContact CG1-OD1 3.45Å; V692-L700 HydrophobicContact CG1-CD1 4.17Å |
| 693 | S | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -100.8 | 165.9 | 175.1 | 77 | 0 | 0 | 0 | 0 | 111.6 | L695 H696 D697 Q721 | S693-L695 PolarHBondContact O-N 3.32Å; S693-L695 VanDerWaalsContact O-N 3.08Å; S693-H696 PolarHBondContact N-ND1 3.24Å; S693-H696 CarbonylContact O-C 3.3Å; S693-H696 WeakPolarHBondContact O-CA 3.49Å; S693-H696 WeakPolarHBondContact O-CB 3.33Å; S693-H696 PolarHBondContact O-N 3.41Å; S693-H696 PolarHBondContact OG-ND1 3.08Å; S693-D697 PolarHBondContact O-N 2.82Å; S693-Q721 PolarHBondContact OG-OE1 3.29Å | ||
| 694 | P | 94.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.7 | -31.2 | 178.2 | -27.4 | 34.7 | 0 | 0 | 0 | 113.8 | L661 H662 C665 D687 D697 A698 L710 | L661-P694 HydrophobicContact CD2-CB 4.01Å; L661-P694 HydrophobicContact CD2-CG 3.91Å; L661-P694 HydrophobicContact CG-CB 4.07Å; L661-P694 HydrophobicContact CG-CG 4.23Å; H662-P694 WeakPolarHBondContact NE2-CD 3.33Å; C665-P694 HydrophobicContact CB-CB 4.4Å; C665-P694 WeakPolarHBondContact CB-O 3.47Å; D687-P694 VanDerWaalsContact O-CD 3.28Å; D687-P694 WeakPolarHBondContact O-CD 3.42Å; P694-D697 PolarHBondContact O-N 2.67Å; P694-A698 PolarHBondContact O-N 3.25Å; P694-L710 HydrophobicContact CB-CD1 4.47Å |
| 695 | L | 96.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.4 | -39.8 | 174.1 | -178.5 | 60.5 | 0 | 0 | 0 | 111.8 | S693 A698 L699 A707 L710 L711 L718 L719 P729 | S693-L695 PolarHBondContact O-N 3.32Å; S693-L695 VanDerWaalsContact O-N 3.08Å; L695-A698 PolarHBondContact O-N 2.94Å; L695-L699 HydrophobicContact CD1-CD1 4.23Å; L695-L699 HydrophobicContact CD1-CG 4.4Å; L695-L699 HydrophobicContact CG-CD1 4.2Å; L695-L699 VanDerWaalsContact O-CG 3.31Å; L695-L699 WeakPolarHBondContact O-CG 3.32Å; L695-L699 PolarHBondContact O-N 3.44Å; L695-L699 VanDerWaalsContact O-N 3.11Å; L695-A707 HydrophobicContact CD1-CB 3.64Å; L695-L710 HydrophobicContact CB-CD1 4.35Å; L695-L710 HydrophobicContact CD1-CB 4.49Å; L695-L710 HydrophobicContact CD1-CD1 4.31Å; L695-L711 HydrophobicContact CD1-CG 4.34Å; L695-L711 HydrophobicContact CD2-CD2 3.88Å; L695-L711 HydrophobicContact CD2-CG 4.33Å; L695-L718 HydrophobicContact CD2-CB 3.57Å; L695-L718 HydrophobicContact CD2-CD1 4.49Å; L695-L719 HydrophobicContact CD2-CD2 4.19Å; L695-P729 HydrophobicContact CD2-CB 3.75Å; L695-P729 HydrophobicContact CD2-CG 3.72Å; L695-P729 HydrophobicContact CG-CB 4.04Å; L695-P729 HydrophobicContact CG-CG 4.17Å |
| 696 | H | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 172.8 | -64.7 | 94.7 | 0 | 0 | 0 | 110.8 | V692 S693 A698 L699 L700 Q727 P729 L732 | V692-H696 HydrophobicContact CG1-CB 3.58Å; S693-H696 PolarHBondContact N-ND1 3.24Å; S693-H696 CarbonylContact O-C 3.3Å; S693-H696 WeakPolarHBondContact O-CA 3.49Å; S693-H696 WeakPolarHBondContact O-CB 3.33Å; S693-H696 PolarHBondContact O-N 3.41Å; S693-H696 PolarHBondContact OG-ND1 3.08Å; H696-A698 VanDerWaalsContact C-N 3.32Å; H696-A698 PolarHBondContact O-N 2.97Å; H696-L699 PolarHBondContact O-N 3.39Å; H696-L699 VanDerWaalsContact O-N 3.15Å; H696-L700 WeakPolarHBondContact O-CB 3.31Å; H696-L700 VanDerWaalsContact O-CG 3.27Å; H696-L700 WeakPolarHBondContact O-CG 3.44Å; H696-L700 PolarHBondContact O-N 3.3Å; H696-Q727 PolarHBondContact NE2-O 3.12Å; H696-P729 WeakPolarHBondContact NE2-CD 3.49Å; H696-L732 HydrophobicContact CB-CD1 4.21Å |
| 697 | D | 94.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.8 | -45.1 | 176.2 | -74 | -30.5 | 0 | 0 | 0 | 112 | H662 C665 N666 V692 S693 P694 L699 N701 | H662-D697 IonicContact CD2-OD2 3.61Å; H662-D697 PolarHBondContact CD2-OD2 2.95Å; H662-D697 IonicContact CG-OD2 2.91Å; C665-D697 HydrophobicContact CB-CB 4.09Å; N666-D697 HydrophobicContact CB-CB 4.23Å; V692-D697 WeakPolarHBondContact CG1-OD1 3.45Å; S693-D697 PolarHBondContact O-N 2.82Å; P694-D697 PolarHBondContact O-N 2.67Å; D697-L699 PolarHBondContact O-N 2.76Å; D697-N701 WeakPolarHBondContact O-CB 3.34Å; D697-N701 PolarHBondContact O-N 3.2Å; D697-N701 PolarHBondContact O-ND2 3.47Å |
| 698 | A | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | C665 P694 L695 H696 G702 H703 I706 A707 | C665-A698 HydrophobicContact CB-CB 4.28Å; P694-A698 PolarHBondContact O-N 3.25Å; L695-A698 PolarHBondContact O-N 2.94Å; H696-A698 VanDerWaalsContact C-N 3.32Å; H696-A698 PolarHBondContact O-N 2.97Å; A698-G702 PolarHBondContact O-N 3.37Å; A698-H703 HydrophobicContact CB-CB 4.45Å; A698-H703 WeakPolarHBondContact O-CA 3.44Å; A698-H703 WeakPolarHBondContact O-CB 3.5Å; A698-H703 PolarHBondContact O-N 3.18Å; A698-I706 HydrophobicContact CB-CB 4.17Å; A698-I706 HydrophobicContact CB-CG2 3.82Å; A698-A707 HydrophobicContact CB-CB 4.31Å |
| 699 | L | 94.9 | Very high | 93.3 | Very high | 17 Ų | 17 | 32.1 Ų | 32.1 | 9% | 0.089 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -76 | -42.6 | -177.6 | -67.7 | 174.2 | 0 | 0 | 0 | 113.1 | L695 H696 D697 N701 G702 L704 A707 P729 L732 V733 L742 | L695-L699 HydrophobicContact CD1-CD1 4.23Å; L695-L699 HydrophobicContact CD1-CG 4.4Å; L695-L699 HydrophobicContact CG-CD1 4.2Å; L695-L699 VanDerWaalsContact O-CG 3.31Å; L695-L699 WeakPolarHBondContact O-CG 3.32Å; L695-L699 PolarHBondContact O-N 3.44Å; L695-L699 VanDerWaalsContact O-N 3.11Å; H696-L699 PolarHBondContact O-N 3.39Å; H696-L699 VanDerWaalsContact O-N 3.15Å; D697-L699 PolarHBondContact O-N 2.76Å; L699-N701 PolarHBondContact O-N 3.49Å; L699-G702 PolarHBondContact O-N 2.84Å; L699-L704 HydrophobicContact CD2-CD1 4.24Å; L699-A707 HydrophobicContact CD2-CB 3.5Å; L699-A707 HydrophobicContact CG-CB 3.96Å; L699-P729 HydrophobicContact CD1-CB 3.61Å; L699-P729 VanDerWaalsContact CD1-O 3.24Å; L699-P729 WeakPolarHBondContact CD1-O 3.37Å; L699-L732 HydrophobicContact CB-CB 4.35Å; L699-L732 HydrophobicContact CB-CD1 4.15Å; L699-V733 HydrophobicContact CD1-CG2 4.35Å; L699-V733 HydrophobicContact CD2-CG2 3.95Å; L699-L742 HydrophobicContact CD1-CD1 4.41Å; L699-L742 HydrophobicContact CD2-CD1 3.89Å; L699-L742 HydrophobicContact CD2-CD2 4.49Å |
| 700 | L | 92.9 | Very high | 93.6 | Very high | 96 Ų | 96 | 31.3 Ų | 31.3 | 50% | 0.503 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.8 | -34.8 | 176.3 | -73.6 | 172.7 | 0 | 0 | 0 | 111.8 | V692 H696 L732 | V692-L700 HydrophobicContact CG1-CD1 4.17Å; H696-L700 WeakPolarHBondContact O-CB 3.31Å; H696-L700 VanDerWaalsContact O-CG 3.27Å; H696-L700 WeakPolarHBondContact O-CG 3.44Å; H696-L700 PolarHBondContact O-N 3.3Å; L700-L732 HydrophobicContact CD2-CD1 3.83Å; L700-L732 HydrophobicContact CD2-CD2 3.71Å; L700-L732 HydrophobicContact CD2-CG 4.35Å; L700-L732 HydrophobicContact CG-CD1 3.78Å |
| 701 | N | 93.4 | Very high | 94 | Very high | 73 Ų | 73 | 26.6 Ų | 26.6 | 39% | 0.39 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 7.1 | 178.4 | -65.3 | -72.9 | 0 | 0 | 0 | 113.7 | N666 D697 L699 H703 | N666-N701 PolarHBondContact OD1-ND2 3.4Å; D697-N701 WeakPolarHBondContact O-CB 3.34Å; D697-N701 PolarHBondContact O-N 3.2Å; D697-N701 PolarHBondContact O-ND2 3.47Å; L699-N701 PolarHBondContact O-N 3.49Å; N701-H703 PolarHBondContact O-N 3.24Å |
| 702 | G | 93 | Very high | 94.4 | Very high | 60 Ų | 60 | 30.3 Ų | 30.3 | 62% | 0.619 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 15.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | A698 L699 L704 | A698-G702 PolarHBondContact O-N 3.37Å; L699-G702 PolarHBondContact O-N 2.84Å; G702-L704 VanDerWaalsContact C-N 3.31Å; G702-L704 PolarHBondContact O-N 3.3Å; G702-L704 VanDerWaalsContact O-N 3.07Å |
| 703 | H | 96.1 | Very high | 94.2 | Very high | 58 Ų | 58 | 31.6 Ų | 31.6 | 27% | 0.269 | 17% | 0.173 | S | C | . | . | trans | -85.5 | 66.5 | 179.6 | -56.9 | -50.2 | 0 | 0 | 0 | 112 | C665 G668 A698 N701 D705 I706 A707 | C665-H703 PolarHBondContact O-CD2 3.37Å; G668-H703 VanDerWaalsContact CA-CD2 3.45Å; G668-H703 WeakPolarHBondContact CA-CD2 3.46Å; G668-H703 VanDerWaalsContact CA-CE1 3.42Å; G668-H703 WeakPolarHBondContact CA-CE1 3.3Å; G668-H703 VanDerWaalsContact CA-NE2 3.33Å; G668-H703 WeakPolarHBondContact CA-NE2 3.4Å; G668-H703 PolarHBondContact N-CD2 3.32Å; G668-H703 PolarHBondContact N-NE2 3.39Å; G668-H703 VanDerWaalsContact N-NE2 3.17Å; A698-H703 HydrophobicContact CB-CB 4.45Å; A698-H703 WeakPolarHBondContact O-CA 3.44Å; A698-H703 WeakPolarHBondContact O-CB 3.5Å; A698-H703 PolarHBondContact O-N 3.18Å; N701-H703 PolarHBondContact O-N 3.24Å; H703-D705 VanDerWaalsContact C-N 3.28Å; H703-D705 PolarHBondContact O-N 3.43Å; H703-I706 HydrophobicContact CB-CB 4.14Å; H703-I706 HydrophobicContact CB-CD1 3.96Å; H703-I706 HydrophobicContact CB-CG1 4.2Å; H703-I706 WeakPolarHBondContact O-CB 3.3Å; H703-I706 PolarHBondContact O-N 3.14Å; H703-I706 VanDerWaalsContact O-N 3.11Å; H703-A707 PolarHBondContact O-N 2.95Å; H703-A707 VanDerWaalsContact O-N 3.1Å | ||
| 704 | L | 94.2 | Very high | 93.8 | Very high | 26 Ų | 26 | 32.2 Ų | 32.2 | 14% | 0.136 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.8 | -35.6 | -175.4 | -168.4 | 73.1 | 0 | 0 | 0 | 113.3 | L699 G702 I706 A707 K708 Q738 L742 | L699-L704 HydrophobicContact CD2-CD1 4.24Å; G702-L704 VanDerWaalsContact C-N 3.31Å; G702-L704 PolarHBondContact O-N 3.3Å; G702-L704 VanDerWaalsContact O-N 3.07Å; L704-I706 VanDerWaalsContact C-N 3.33Å; L704-I706 PolarHBondContact O-N 3.12Å; L704-A707 WeakPolarHBondContact O-CB 3.12Å; L704-A707 PolarHBondContact O-N 3.05Å; L704-K708 WeakPolarHBondContact O-CG 3.44Å; L704-K708 PolarHBondContact O-N 3.46Å; L704-Q738 HydrophobicContact CD1-CB 4.17Å; L704-Q738 HydrophobicContact CD1-CG 4.44Å; L704-Q738 HydrophobicContact CD2-CB 4.23Å; L704-Q738 HydrophobicContact CD2-CG 3.78Å; L704-L742 HydrophobicContact CD1-CD1 4.15Å; L704-L742 HydrophobicContact CD1-CD2 3.94Å; L704-L742 HydrophobicContact CD1-CG 4.08Å |
| 705 | D | 94.6 | Very high | 93.6 | Very high | 104 Ų | 104 | 32.1 Ų | 32.1 | 56% | 0.556 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -68.6 | -32.8 | 179.6 | -61.1 | -34.8 | 0 | 0 | 0 | 112.3 | H703 K708 M709 | H703-D705 VanDerWaalsContact C-N 3.28Å; H703-D705 PolarHBondContact O-N 3.43Å; D705-K708 IonicContact OD1-NZ 3.71Å; D705-K708 PolarHBondContact OD1-NZ 3.06Å; D705-M709 WeakPolarHBondContact O-CB 3.49Å; D705-M709 PolarHBondContact O-N 3.42Å |
| 706 | I | 96.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.5 | -43.5 | 171.7 | -65.4 | -179.1 | 0 | 0 | 0 | 109.7 | C665 T670 V673 A698 H703 L704 K708 M709 L710 | C665-I706 HydrophobicContact CB-CG2 4.38Å; T670-I706 HydrophobicContact CG2-CG1 4.38Å; V673-I706 HydrophobicContact CG1-CG2 4.2Å; V673-I706 HydrophobicContact CG2-CD1 4.17Å; V673-I706 HydrophobicContact CG2-CG2 4Å; A698-I706 HydrophobicContact CB-CB 4.17Å; A698-I706 HydrophobicContact CB-CG2 3.82Å; H703-I706 HydrophobicContact CB-CB 4.14Å; H703-I706 HydrophobicContact CB-CD1 3.96Å; H703-I706 HydrophobicContact CB-CG1 4.2Å; H703-I706 WeakPolarHBondContact O-CB 3.3Å; H703-I706 PolarHBondContact O-N 3.14Å; H703-I706 VanDerWaalsContact O-N 3.11Å; L704-I706 VanDerWaalsContact C-N 3.33Å; L704-I706 PolarHBondContact O-N 3.12Å; I706-K708 PolarHBondContact O-N 3.37Å; I706-M709 WeakPolarHBondContact O-CB 3.36Å; I706-M709 PolarHBondContact O-N 2.78Å; I706-M709 VanDerWaalsContact O-N 3.17Å; I706-L710 HydrophobicContact CG2-CD1 4.13Å; I706-L710 HydrophobicContact CG2-CG 4.36Å; I706-L710 WeakPolarHBondContact O-CG 3.33Å; I706-L710 PolarHBondContact O-N 3.14Å |
| 707 | A | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -43.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L695 A698 L699 H703 L704 L710 L711 L742 | L695-A707 HydrophobicContact CD1-CB 3.64Å; A698-A707 HydrophobicContact CB-CB 4.31Å; L699-A707 HydrophobicContact CD2-CB 3.5Å; L699-A707 HydrophobicContact CG-CB 3.96Å; H703-A707 PolarHBondContact O-N 2.95Å; H703-A707 VanDerWaalsContact O-N 3.1Å; L704-A707 WeakPolarHBondContact O-CB 3.12Å; L704-A707 PolarHBondContact O-N 3.05Å; A707-L710 PolarHBondContact O-N 3.29Å; A707-L711 VanDerWaalsContact O-CG 3.29Å; A707-L711 WeakPolarHBondContact O-CG 3.41Å; A707-L711 PolarHBondContact O-N 3.23Å; A707-L742 HydrophobicContact CB-CD2 3.76Å |
| 708 | K | 95.6 | Very high | 93 | Very high | 28 Ų | 28 | 36.8 Ų | 36.8 | 12% | 0.122 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.4 | -46 | 172.6 | -69.4 | 175.6 | -146.9 | 171.6 | 0 | 111.8 | L704 D705 I706 L710 L711 E712 E741 L742 | L704-K708 WeakPolarHBondContact O-CG 3.44Å; L704-K708 PolarHBondContact O-N 3.46Å; D705-K708 IonicContact OD1-NZ 3.71Å; D705-K708 PolarHBondContact OD1-NZ 3.06Å; I706-K708 PolarHBondContact O-N 3.37Å; K708-L710 VanDerWaalsContact C-N 3.34Å; K708-L710 PolarHBondContact O-N 2.92Å; K708-L711 PolarHBondContact O-N 3.17Å; K708-L711 VanDerWaalsContact O-N 3.16Å; K708-E712 WeakPolarHBondContact O-CB 3.25Å; K708-E712 WeakPolarHBondContact O-CG 3.48Å; K708-E712 PolarHBondContact O-N 2.66Å; K708-E741 HydrophobicContact CD-CG 3.93Å; K708-E741 VanDerWaalsContact CE-OE1 3.26Å; K708-E741 WeakPolarHBondContact CE-OE1 3.44Å; K708-E741 WeakPolarHBondContact CE-OE2 3.31Å; K708-E741 IonicContact NZ-OE1 2.94Å; K708-E741 PolarHBondContact NZ-OE1 2.73Å; K708-E741 IonicContact NZ-OE2 3.15Å; K708-E741 PolarHBondContact NZ-OE2 3.15Å; K708-L742 HydrophobicContact CG-CD2 4.17Å |
| 709 | M | 94.9 | Very high | 92.8 | Very high | 32 Ų | 32 | 37.6 Ų | 37.6 | 16% | 0.158 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 179.6 | -168.1 | -175.2 | -56.3 | 0 | 0 | 112.2 | T670 V673 R674 L677 D705 I706 H713 | T670-M709 HydrophobicContact CG2-CE 3.63Å; V673-M709 HydrophobicContact CG1-SD 4.08Å; R674-M709 HydrophobicContact CB-CE 4.26Å; R674-M709 HydrophobicContact CB-SD 3.8Å; R674-M709 HydrophobicContact CG-SD 4.24Å; L677-M709 HydrophobicContact CD1-CG 3.75Å; L677-M709 HydrophobicContact CD1-SD 3.95Å; D705-M709 WeakPolarHBondContact O-CB 3.49Å; D705-M709 PolarHBondContact O-N 3.42Å; I706-M709 WeakPolarHBondContact O-CB 3.36Å; I706-M709 PolarHBondContact O-N 2.78Å; I706-M709 VanDerWaalsContact O-N 3.17Å; M709-H713 WeakPolarHBondContact O-CB 3.28Å; M709-H713 PolarHBondContact O-N 3.07Å; M709-H713 VanDerWaalsContact O-N 3.16Å |
| 710 | L | 94.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 174.9 | -68 | 172.6 | 0 | 0 | 0 | 111.7 | L661 V673 L677 L685 P694 L695 I706 A707 K708 H713 A714 L718 | L661-L710 HydrophobicContact CD1-CD2 4.47Å; V673-L710 HydrophobicContact CG1-CD2 4.3Å; L677-L710 HydrophobicContact CD1-CD2 4.27Å; L677-L710 HydrophobicContact CD2-CD2 4.2Å; L685-L710 HydrophobicContact CD2-CD2 4.06Å; P694-L710 HydrophobicContact CB-CD1 4.47Å; L695-L710 HydrophobicContact CB-CD1 4.35Å; L695-L710 HydrophobicContact CD1-CB 4.49Å; L695-L710 HydrophobicContact CD1-CD1 4.31Å; I706-L710 HydrophobicContact CG2-CD1 4.13Å; I706-L710 HydrophobicContact CG2-CG 4.36Å; I706-L710 WeakPolarHBondContact O-CG 3.33Å; I706-L710 PolarHBondContact O-N 3.14Å; A707-L710 PolarHBondContact O-N 3.29Å; K708-L710 VanDerWaalsContact C-N 3.34Å; K708-L710 PolarHBondContact O-N 2.92Å; L710-H713 PolarHBondContact O-N 3.14Å; L710-A714 PolarHBondContact O-N 2.67Å; L710-L718 HydrophobicContact CB-CD1 4.08Å |
| 711 | L | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.5 | -36.1 | 179.2 | -70.6 | 171.5 | 0 | 0 | 0 | 113.2 | L695 A707 K708 H713 G715 L718 L719 L742 A746 | L695-L711 HydrophobicContact CD1-CG 4.34Å; L695-L711 HydrophobicContact CD2-CD2 3.88Å; L695-L711 HydrophobicContact CD2-CG 4.33Å; A707-L711 VanDerWaalsContact O-CG 3.29Å; A707-L711 WeakPolarHBondContact O-CG 3.41Å; A707-L711 PolarHBondContact O-N 3.23Å; K708-L711 PolarHBondContact O-N 3.17Å; K708-L711 VanDerWaalsContact O-N 3.16Å; L711-H713 PolarHBondContact O-N 2.75Å; L711-G715 WeakPolarHBondContact O-CA 3.37Å; L711-G715 PolarHBondContact O-N 2.98Å; L711-L718 HydrophobicContact CD2-CB 4.04Å; L711-L719 HydrophobicContact CD1-CD2 3.95Å; L711-L719 HydrophobicContact CD2-CD1 4.38Å; L711-L719 HydrophobicContact CD2-CD2 3.67Å; L711-L719 HydrophobicContact CD2-CG 3.69Å; L711-L719 HydrophobicContact CG-CD2 4.46Å; L711-L742 HydrophobicContact CD1-CB 3.69Å; L711-L742 HydrophobicContact CD1-CD2 3.57Å; L711-L742 HydrophobicContact CD1-CG 4.17Å; L711-L742 WeakPolarHBondContact CD1-O 3.46Å; L711-A746 HydrophobicContact CB-CB 4.34Å; L711-A746 HydrophobicContact CD2-CB 4.16Å |
| 712 | E | 92 | Very high | 92 | Very high | 97 Ų | 97 | 40.1 Ų | 40.1 | 45% | 0.453 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.7 | -27.7 | 171.7 | -78.5 | 161.3 | -158.5 | 0 | 0 | 111.8 | K708 S745 G749 | K708-E712 WeakPolarHBondContact O-CB 3.25Å; K708-E712 WeakPolarHBondContact O-CG 3.48Å; K708-E712 PolarHBondContact O-N 2.66Å; E712-S745 PolarHBondContact OE1-OG 2.86Å; E712-G749 VanDerWaalsContact O-CA 3.23Å; E712-G749 WeakPolarHBondContact O-CA 3.4Å |
| 713 | H | 87 | Confident | 91.7 | Very high | 62 Ų | 62 | 38 Ų | 38 | 29% | 0.287 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -84.8 | -44.3 | 178.3 | -160.1 | 92.6 | 0 | 0 | 0 | 113.4 | L677 M709 L710 L711 | L677-H713 HydrophobicContact CD1-CB 4.36Å; L677-H713 HydrophobicContact CD2-CB 4.39Å; L677-H713 PolarHBondContact O-CE1 2.82Å; M709-H713 WeakPolarHBondContact O-CB 3.28Å; M709-H713 PolarHBondContact O-N 3.07Å; M709-H713 VanDerWaalsContact O-N 3.16Å; L710-H713 PolarHBondContact O-N 3.14Å; L711-H713 PolarHBondContact O-N 2.75Å |
| 714 | A | 85.3 | Confident | 91.1 | Very high | 12 Ų | 12 | 38 Ų | 38 | 10% | 0.099 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -107 | -10.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L685 L710 V717 L718 R753 | L685-A714 HydrophobicContact CD1-CB 3.69Å; L710-A714 PolarHBondContact O-N 2.67Å; A714-V717 HydrophobicContact CB-CG1 4.34Å; A714-V717 WeakPolarHBondContact O-CG1 3.37Å; A714-L718 HydrophobicContact CB-CD1 3.62Å; A714-L718 HydrophobicContact CB-CD2 4.2Å; A714-L718 HydrophobicContact CB-CG 3.67Å; A714-R753 VanDerWaalsContact O-CD 3.26Å; A714-R753 WeakPolarHBondContact O-CD 3.43Å; A714-R753 PolarHBondContact O-NH1 3.18Å |
| 715 | G | 90.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | 72.5 | -161.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | L711 V717 A746 D750 | L711-G715 WeakPolarHBondContact O-CA 3.37Å; L711-G715 PolarHBondContact O-N 2.98Å; G715-V717 PolarHBondContact O-N 3.02Å; G715-V717 VanDerWaalsContact O-N 3.14Å; G715-A746 WeakPolarHBondContact CA-O 3.49Å; G715-D750 WeakPolarHBondContact CA-OD1 3.31Å |
| 716 | S | 91.6 | Very high | 90.3 | Very high | 43 Ų | 43 | 48.5 Ų | 48.5 | 30% | 0.301 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -69.3 | -10.6 | -172.1 | 58.6 | 0 | 0 | 0 | 0 | 114.8 | L718 L719 D750 | S716-L718 PolarHBondContact O-N 3.48Å; S716-L719 WeakPolarHBondContact O-CB 3.23Å; S716-L719 PolarHBondContact O-N 3.06Å; S716-D750 WeakPolarHBondContact CB-OD2 3.38Å; S716-D750 PolarHBondContact N-OD1 3.03Å; S716-D750 PolarHBondContact N-OD2 3.13Å; S716-D750 PolarHBondContact OG-OD1 3.25Å; S716-D750 PolarHBondContact OG-OD2 2.91Å |
| 717 | V | 89.1 | Confident | 89.8 | Confident | 61 Ų | 61 | 52.3 Ų | 52.3 | 37% | 0.37 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -58.2 | -34.1 | 178.1 | 76.5 | 0 | 0 | 0 | 0 | 112.4 | A714 G715 L719 Q720 | A714-V717 HydrophobicContact CB-CG1 4.34Å; A714-V717 WeakPolarHBondContact O-CG1 3.37Å; G715-V717 PolarHBondContact O-N 3.02Å; G715-V717 VanDerWaalsContact O-N 3.14Å; V717-L719 VanDerWaalsContact C-N 3.29Å; V717-L719 PolarHBondContact O-N 3.31Å; V717-Q720 PolarHBondContact O-N 2.95Å |
| 718 | L | 91.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -71.4 | -26 | 179.2 | -60.7 | -176.1 | 0 | 0 | 0 | 112.4 | L685 T686 L695 L710 L711 A714 S716 Q720 Q721 P729 | L685-L718 HydrophobicContact CB-CD1 4.31Å; L685-L718 HydrophobicContact CB-CD2 3.96Å; T686-L718 HydrophobicContact CG2-CD2 3.88Å; L695-L718 HydrophobicContact CD2-CB 3.57Å; L695-L718 HydrophobicContact CD2-CD1 4.49Å; L710-L718 HydrophobicContact CB-CD1 4.08Å; L711-L718 HydrophobicContact CD2-CB 4.04Å; A714-L718 HydrophobicContact CB-CD1 3.62Å; A714-L718 HydrophobicContact CB-CD2 4.2Å; A714-L718 HydrophobicContact CB-CG 3.67Å; S716-L718 PolarHBondContact O-N 3.48Å; L718-Q720 PolarHBondContact O-N 3.24Å; L718-Q721 WeakPolarHBondContact O-CG 3.47Å; L718-Q721 PolarHBondContact O-N 3.08Å; L718-P729 WeakPolarHBondContact O-CG 3.42Å |
| 719 | L | 90.4 | Very high | 89.3 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 9% | 0.089 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -73.4 | -15.4 | 178.7 | -61.5 | 178.6 | 0 | 0 | 0 | 113.3 | L695 L711 S716 V717 P729 L730 L743 A746 | L695-L719 HydrophobicContact CD2-CD2 4.19Å; L711-L719 HydrophobicContact CD1-CD2 3.95Å; L711-L719 HydrophobicContact CD2-CD1 4.38Å; L711-L719 HydrophobicContact CD2-CD2 3.67Å; L711-L719 HydrophobicContact CD2-CG 3.69Å; L711-L719 HydrophobicContact CG-CD2 4.46Å; S716-L719 WeakPolarHBondContact O-CB 3.23Å; S716-L719 PolarHBondContact O-N 3.06Å; V717-L719 VanDerWaalsContact C-N 3.29Å; V717-L719 PolarHBondContact O-N 3.31Å; L719-P729 HydrophobicContact CD2-CB 4.2Å; L719-L730 HydrophobicContact CD1-CD1 4.46Å; L719-L730 HydrophobicContact CD1-CD2 4.4Å; L719-L730 HydrophobicContact CD2-CD2 3.78Å; L719-L730 HydrophobicContact CD2-CG 4.04Å; L719-L743 HydrophobicContact CD1-CD2 3.96Å; L719-A746 HydrophobicContact CD1-CB 3.69Å; L719-A746 HydrophobicContact CG-CB 4.48Å |
| 720 | Q | 88.3 | Confident | 89.2 | Confident | 151 Ų | 151 | 52 Ų | 52 | 71% | 0.706 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -87.6 | -8.8 | 178.2 | -60.6 | -176 | 3.1 | 0 | 0 | 112.9 | V717 L718 | V717-Q720 PolarHBondContact O-N 2.95Å; L718-Q720 PolarHBondContact O-N 3.24Å |
| 721 | Q | 87.2 | Confident | 89 | Confident | 25 Ų | 25 | 56 Ų | 56 | 12% | 0.117 | 29% | 0.294 | C | S | . | . | trans | -68.3 | 147.2 | 176.9 | -59 | -164.9 | -64 | 0 | 0 | 109.9 | T686 S693 L718 P729 | T686-Q721 VanDerWaalsContact CA-NE2 3.25Å; T686-Q721 PolarHBondContact O-NE2 2.97Å; S693-Q721 PolarHBondContact OG-OE1 3.29Å; L718-Q721 WeakPolarHBondContact O-CG 3.47Å; L718-Q721 PolarHBondContact O-N 3.08Å; Q721-P729 WeakPolarHBondContact O-CD 3.41Å | ||
| 722 | T | 88.9 | Confident | 88.7 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 39% | 0.393 | 30% | 0.304 | S | S | . | . | trans | -120.7 | 140.4 | 173.2 | 57.9 | 0 | 0 | 0 | 0 | 109.6 | Q688 Q727 T728 | Q688-T722 PolarHBondContact NE2-O 3.13Å; T722-Q727 CarbonylContact C-O 3.51Å; T722-Q727 VanDerWaalsContact CA-O 3.26Å; T722-Q727 WeakPolarHBondContact CA-O 3.26Å; T722-T728 HydrophobicContact CG2-CG2 4.15Å | ||
| 723 | D | 88 | Confident | 88.6 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 9% | 0.086 | 29% | 0.286 | C | S | . | . | trans | -74.9 | -174.9 | 173.2 | 72 | 5.9 | 0 | 0 | 0 | 113.2 | G691 D725 R726 Q727 | G691-D723 VanDerWaalsContact O-CA 3.3Å; G691-D723 WeakPolarHBondContact O-CA 3.45Å; D723-D725 PolarHBondContact O-N 3.08Å; D723-D725 WeakPolarHBondContact OD1-CA 3.35Å; D723-D725 PolarHBondContact OD1-N 3.35Å; D723-R726 PolarHBondContact O-N 3.03Å; D723-R726 PolarHBondContact OD1-N 3.39Å; D723-Q727 PolarHBondContact N-O 3.46Å; D723-Q727 WeakPolarHBondContact OD1-CB 3.49Å; D723-Q727 PolarHBondContact OD1-N 2.85Å | ||
| 724 | G | 82.5 | Confident | 88.4 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 60% | 0.598 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 725 | D | 85.8 | Confident | 88.6 | Confident | 136 Ų | 136 | 58 Ų | 58 | 73% | 0.727 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 9.7 | 177.9 | -68.3 | -41.1 | 0 | 0 | 0 | 112.6 | D723 Q727 | D723-D725 PolarHBondContact O-N 3.08Å; D723-D725 WeakPolarHBondContact OD1-CA 3.35Å; D723-D725 PolarHBondContact OD1-N 3.35Å; D725-Q727 HydrophobicContact CB-CG 4.27Å; D725-Q727 PolarHBondContact O-N 3.3Å |
| 726 | R | 85.5 | Confident | 88.4 | Confident | 213 Ų | 213 | 64.5 Ų | 64.5 | 80% | 0.804 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 63.7 | 22.1 | -177.6 | -54.3 | -177.4 | 175.8 | 175.6 | -0.9 | 114.3 | D723 | D723-R726 PolarHBondContact O-N 3.03Å; D723-R726 PolarHBondContact OD1-N 3.39Å |
| 727 | Q | 87.8 | Confident | 88.2 | Confident | 82 Ų | 82 | 66.1 Ų | 66.1 | 38% | 0.383 | 37% | 0.369 | S | S | . | . | trans | -83.9 | 138.9 | 174.2 | -57.6 | -170.8 | -14.8 | 0 | 0 | 109.6 | H696 T722 D723 D725 D731 L732 | H696-Q727 PolarHBondContact NE2-O 3.12Å; T722-Q727 CarbonylContact C-O 3.51Å; T722-Q727 VanDerWaalsContact CA-O 3.26Å; T722-Q727 WeakPolarHBondContact CA-O 3.26Å; D723-Q727 PolarHBondContact N-O 3.46Å; D723-Q727 WeakPolarHBondContact OD1-CB 3.49Å; D723-Q727 PolarHBondContact OD1-N 2.85Å; D725-Q727 HydrophobicContact CB-CG 4.27Å; D725-Q727 PolarHBondContact O-N 3.3Å; Q727-D731 HydrophobicContact CB-CB 4.23Å; Q727-L732 VanDerWaalsContact OE1-CD2 3.24Å | ||
| 728 | T | 91.3 | Very high | 88.3 | Confident | 34 Ų | 34 | 66.8 Ų | 66.8 | 21% | 0.209 | 37% | 0.368 | C | S | . | . | trans | -82.7 | 160.6 | 170.2 | 66.9 | 0 | 0 | 0 | 0 | 110.3 | T722 L730 D731 | T722-T728 HydrophobicContact CG2-CG2 4.15Å; T728-L730 PolarHBondContact O-N 2.82Å; T728-D731 WeakPolarHBondContact CB-OD2 3.42Å; T728-D731 PolarHBondContact N-OD2 3Å; T728-D731 WeakPolarHBondContact O-CB 3.26Å; T728-D731 PolarHBondContact O-N 3.44Å; T728-D731 PolarHBondContact OG1-OD2 3.21Å | ||
| 729 | P | 90 | Very high | 88.3 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -34.1 | 173.7 | -31.6 | 36.1 | 0 | 0 | 0 | 113.4 | L695 H696 L699 L718 L719 Q721 D731 L732 | L695-P729 HydrophobicContact CD2-CB 3.75Å; L695-P729 HydrophobicContact CD2-CG 3.72Å; L695-P729 HydrophobicContact CG-CB 4.04Å; L695-P729 HydrophobicContact CG-CG 4.17Å; H696-P729 WeakPolarHBondContact NE2-CD 3.49Å; L699-P729 HydrophobicContact CD1-CB 3.61Å; L699-P729 VanDerWaalsContact CD1-O 3.24Å; L699-P729 WeakPolarHBondContact CD1-O 3.37Å; L718-P729 WeakPolarHBondContact O-CG 3.42Å; L719-P729 HydrophobicContact CD2-CB 4.2Å; Q721-P729 WeakPolarHBondContact O-CD 3.41Å; P729-D731 VanDerWaalsContact C-N 3.29Å; P729-D731 PolarHBondContact O-N 2.97Å; P729-L732 PolarHBondContact O-N 3.06Å |
| 730 | L | 91.4 | Very high | 88.3 | Confident | 19 Ų | 19 | 75.8 Ų | 75.8 | 10% | 0.099 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -22 | 178.8 | -60.7 | -179.9 | 0 | 0 | 0 | 113.3 | L719 T728 L732 V733 R739 L742 L743 | L719-L730 HydrophobicContact CD1-CD1 4.46Å; L719-L730 HydrophobicContact CD1-CD2 4.4Å; L719-L730 HydrophobicContact CD2-CD2 3.78Å; L719-L730 HydrophobicContact CD2-CG 4.04Å; T728-L730 PolarHBondContact O-N 2.82Å; L730-L732 VanDerWaalsContact C-N 3.34Å; L730-V733 PolarHBondContact O-N 3.25Å; L730-R739 HydrophobicContact CB-CG 4.42Å; L730-R739 HydrophobicContact CD2-CG 4.05Å; L730-R739 PolarHBondContact O-NH1 2.76Å; L730-L742 HydrophobicContact CD2-CB 4.28Å; L730-L742 HydrophobicContact CD2-CD1 4.39Å; L730-L743 HydrophobicContact CD1-CD2 4.09Å |
| 731 | D | 90.2 | Very high | 88.5 | Confident | 84 Ų | 84 | 71.4 Ų | 71.4 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -22.2 | 178.5 | -57.8 | -37.4 | 0 | 0 | 0 | 112 | Q727 T728 P729 V733 R739 | Q727-D731 HydrophobicContact CB-CB 4.23Å; T728-D731 WeakPolarHBondContact CB-OD2 3.42Å; T728-D731 PolarHBondContact N-OD2 3Å; T728-D731 WeakPolarHBondContact O-CB 3.26Å; T728-D731 PolarHBondContact O-N 3.44Å; T728-D731 PolarHBondContact OG1-OD2 3.21Å; P729-D731 VanDerWaalsContact C-N 3.29Å; P729-D731 PolarHBondContact O-N 2.97Å; D731-V733 PolarHBondContact O-N 3.45Å; D731-R739 IonicContact OD1-NH1 2.74Å |
| 732 | L | 88.2 | Confident | 88.9 | Confident | 40 Ų | 40 | 70.2 Ų | 70.2 | 21% | 0.209 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -10.3 | 172.6 | -60.5 | -177.9 | 0 | 0 | 0 | 113.5 | H696 L699 L700 Q727 P729 L730 | H696-L732 HydrophobicContact CB-CD1 4.21Å; L699-L732 HydrophobicContact CB-CB 4.35Å; L699-L732 HydrophobicContact CB-CD1 4.15Å; L700-L732 HydrophobicContact CD2-CD1 3.83Å; L700-L732 HydrophobicContact CD2-CD2 3.71Å; L700-L732 HydrophobicContact CD2-CG 4.35Å; L700-L732 HydrophobicContact CG-CD1 3.78Å; Q727-L732 VanDerWaalsContact OE1-CD2 3.24Å; P729-L732 PolarHBondContact O-N 3.06Å; L730-L732 VanDerWaalsContact C-N 3.34Å |
| 733 | V | 90.1 | Very high | 89.1 | Confident | 14 Ų | 14 | 71 Ų | 71 | 9% | 0.085 | 38% | 0.381 | C | S | . | . | trans | -109.1 | 113.4 | -175.5 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | L699 L730 D731 Q738 L742 | L699-V733 HydrophobicContact CD1-CG2 4.35Å; L699-V733 HydrophobicContact CD2-CG2 3.95Å; L730-V733 PolarHBondContact O-N 3.25Å; D731-V733 PolarHBondContact O-N 3.45Å; V733-Q738 HydrophobicContact CG1-CB 3.47Å; V733-Q738 VanDerWaalsContact CG1-CB 3.47Å; V733-L742 HydrophobicContact CG2-CD1 3.85Å | ||
| 734 | S | 82.5 | Confident | 89.3 | Confident | 125 Ų | 125 | 77.3 Ų | 77.3 | 87% | 0.874 | 40% | 0.404 | S | S | * | . | trans | -83.9 | -24.2 | -177.7 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 735 | A | 89.1 | Confident | 89.8 | Confident | 35 Ų | 35 | 75 Ų | 75 | 29% | 0.289 | 38% | 0.378 | S | S | . | . | trans | -90 | 125.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S737 Q738 R739 | A735-S737 VanDerWaalsContact C-N 3.28Å; A735-S737 PolarHBondContact O-N 3.38Å; A735-Q738 HydrophobicContact CB-CB 4.37Å; A735-Q738 HydrophobicContact CB-CG 4.12Å; A735-Q738 PolarHBondContact O-N 3.42Å; A735-R739 PolarHBondContact O-N 3.5Å; A735-R739 VanDerWaalsContact O-N 3.16Å | ||
| 736 | L | 86.5 | Confident | 90.1 | Very high | 136 Ų | 136 | 68.6 Ų | 68.6 | 71% | 0.712 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -57.5 | -38.1 | 179.2 | -72.4 | 174.2 | 0 | 0 | 0 | 113.2 | Q738 R739 E740 | L736-Q738 PolarHBondContact O-N 3.43Å; L736-R739 WeakPolarHBondContact O-CB 3.48Å; L736-R739 PolarHBondContact O-N 3.13Å; L736-E740 WeakPolarHBondContact O-CG 3.4Å; L736-E740 PolarHBondContact O-N 2.74Å |
| 737 | S | 89.2 | Confident | 90.3 | Very high | 78 Ų | 78 | 64.7 Ų | 64.7 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 179.4 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | A735 E741 | A735-S737 VanDerWaalsContact C-N 3.28Å; A735-S737 PolarHBondContact O-N 3.38Å; S737-E741 WeakPolarHBondContact O-CB 3.08Å; S737-E741 PolarHBondContact O-N 2.68Å; S737-E741 VanDerWaalsContact O-N 3.11Å |
| 738 | Q | 90.1 | Very high | 90.3 | Very high | 74 Ų | 74 | 63.3 Ų | 63.3 | 35% | 0.346 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.7 | -38.7 | 176.6 | -66.6 | -179.2 | -27.3 | 0 | 0 | 110.8 | L704 V733 A735 L736 E741 L742 | L704-Q738 HydrophobicContact CD1-CB 4.17Å; L704-Q738 HydrophobicContact CD1-CG 4.44Å; L704-Q738 HydrophobicContact CD2-CB 4.23Å; L704-Q738 HydrophobicContact CD2-CG 3.78Å; V733-Q738 HydrophobicContact CG1-CB 3.47Å; V733-Q738 VanDerWaalsContact CG1-CB 3.47Å; A735-Q738 HydrophobicContact CB-CB 4.37Å; A735-Q738 HydrophobicContact CB-CG 4.12Å; A735-Q738 PolarHBondContact O-N 3.42Å; L736-Q738 PolarHBondContact O-N 3.43Å; Q738-E741 PolarHBondContact O-N 3.28Å; Q738-L742 WeakPolarHBondContact O-CG 3.17Å; Q738-L742 PolarHBondContact O-N 2.93Å |
| 739 | R | 91.7 | Very high | 90 | Very high | 86 Ų | 86 | 61.7 Ų | 61.7 | 33% | 0.325 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 175.3 | -163 | 179 | -178.6 | 119 | -2.7 | 111.7 | L730 D731 A735 L736 E741 L742 L743 | L730-R739 HydrophobicContact CB-CG 4.42Å; L730-R739 HydrophobicContact CD2-CG 4.05Å; L730-R739 PolarHBondContact O-NH1 2.76Å; D731-R739 IonicContact OD1-NH1 2.74Å; A735-R739 PolarHBondContact O-N 3.5Å; A735-R739 VanDerWaalsContact O-N 3.16Å; L736-R739 WeakPolarHBondContact O-CB 3.48Å; L736-R739 PolarHBondContact O-N 3.13Å; R739-E741 VanDerWaalsContact C-N 3.32Å; R739-E741 PolarHBondContact O-N 3.1Å; R739-L742 PolarHBondContact O-N 3.36Å; R739-L743 WeakPolarHBondContact O-CG 3.26Å; R739-L743 PolarHBondContact O-N 3.29Å; R739-L743 VanDerWaalsContact O-N 3.08Å |
| 740 | E | 91.2 | Very high | 89.6 | Confident | 122 Ų | 122 | 64.1 Ų | 64.1 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.1 | -35.4 | 175 | -73.2 | 177.5 | 173 | 0 | 0 | 112.9 | L736 R744 | L736-E740 WeakPolarHBondContact O-CG 3.4Å; L736-E740 PolarHBondContact O-N 2.74Å; E740-R744 WeakPolarHBondContact O-CG 3.38Å; E740-R744 PolarHBondContact O-N 2.97Å; E740-R744 PolarHBondContact O-NE 3.02Å |
| 741 | E | 92.3 | Very high | 89.1 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 27% | 0.271 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.2 | -43.4 | 177.6 | -164.6 | 169.9 | -162.8 | 0 | 0 | 112.3 | K708 S737 Q738 R739 L743 R744 S745 | K708-E741 HydrophobicContact CD-CG 3.93Å; K708-E741 VanDerWaalsContact CE-OE1 3.26Å; K708-E741 WeakPolarHBondContact CE-OE1 3.44Å; K708-E741 WeakPolarHBondContact CE-OE2 3.31Å; K708-E741 IonicContact NZ-OE1 2.94Å; K708-E741 PolarHBondContact NZ-OE1 2.73Å; K708-E741 IonicContact NZ-OE2 3.15Å; K708-E741 PolarHBondContact NZ-OE2 3.15Å; S737-E741 WeakPolarHBondContact O-CB 3.08Å; S737-E741 PolarHBondContact O-N 2.68Å; S737-E741 VanDerWaalsContact O-N 3.11Å; Q738-E741 PolarHBondContact O-N 3.28Å; R739-E741 VanDerWaalsContact C-N 3.32Å; R739-E741 PolarHBondContact O-N 3.1Å; E741-L743 VanDerWaalsContact C-N 3.34Å; E741-L743 PolarHBondContact O-N 3.39Å; E741-R744 PolarHBondContact O-N 3.44Å; E741-S745 PolarHBondContact O-N 3.09Å |
| 742 | L | 93.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 174.2 | -66.4 | 172.9 | 0 | 0 | 0 | 111.8 | L699 L704 A707 K708 L711 L730 V733 Q738 R739 R744 S745 A746 | L699-L742 HydrophobicContact CD1-CD1 4.41Å; L699-L742 HydrophobicContact CD2-CD1 3.89Å; L699-L742 HydrophobicContact CD2-CD2 4.49Å; L704-L742 HydrophobicContact CD1-CD1 4.15Å; L704-L742 HydrophobicContact CD1-CD2 3.94Å; L704-L742 HydrophobicContact CD1-CG 4.08Å; A707-L742 HydrophobicContact CB-CD2 3.76Å; K708-L742 HydrophobicContact CG-CD2 4.17Å; L711-L742 HydrophobicContact CD1-CB 3.69Å; L711-L742 HydrophobicContact CD1-CD2 3.57Å; L711-L742 HydrophobicContact CD1-CG 4.17Å; L711-L742 WeakPolarHBondContact CD1-O 3.46Å; L730-L742 HydrophobicContact CD2-CB 4.28Å; L730-L742 HydrophobicContact CD2-CD1 4.39Å; V733-L742 HydrophobicContact CG2-CD1 3.85Å; Q738-L742 WeakPolarHBondContact O-CG 3.17Å; Q738-L742 PolarHBondContact O-N 2.93Å; R739-L742 PolarHBondContact O-N 3.36Å; L742-R744 PolarHBondContact O-N 2.96Å; L742-S745 PolarHBondContact O-N 2.78Å; L742-A746 WeakPolarHBondContact O-CB 3.39Å; L742-A746 PolarHBondContact O-N 3.36Å |
| 743 | L | 93.3 | Very high | 87.3 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 42% | 0.424 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 174.7 | -73.8 | 170.5 | 0 | 0 | 0 | 112.2 | L719 L730 R739 E741 A746 Q747 | L719-L743 HydrophobicContact CD1-CD2 3.96Å; L730-L743 HydrophobicContact CD1-CD2 4.09Å; R739-L743 WeakPolarHBondContact O-CG 3.26Å; R739-L743 PolarHBondContact O-N 3.29Å; R739-L743 VanDerWaalsContact O-N 3.08Å; E741-L743 VanDerWaalsContact C-N 3.34Å; E741-L743 PolarHBondContact O-N 3.39Å; L743-A746 PolarHBondContact O-N 3.09Å; L743-Q747 WeakPolarHBondContact O-CB 3.41Å; L743-Q747 PolarHBondContact O-N 3.4Å |
| 744 | R | 92.5 | Very high | 85.8 | Confident | 148 Ų | 148 | 70 Ų | 70 | 56% | 0.558 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.5 | -45.4 | 174.5 | -77.5 | -177.8 | -71.9 | 140.8 | -4.2 | 112.1 | E740 E741 L742 A746 Q747 A748 | E740-R744 WeakPolarHBondContact O-CG 3.38Å; E740-R744 PolarHBondContact O-N 2.97Å; E740-R744 PolarHBondContact O-NE 3.02Å; E741-R744 PolarHBondContact O-N 3.44Å; L742-R744 PolarHBondContact O-N 2.96Å; R744-A746 VanDerWaalsContact C-N 3.34Å; R744-A746 PolarHBondContact O-N 2.9Å; R744-Q747 PolarHBondContact O-N 3.43Å; R744-A748 WeakPolarHBondContact O-CB 3.29Å; R744-A748 PolarHBondContact O-N 3.13Å |
| 745 | S | 93.5 | Very high | 84.5 | Confident | 9 Ų | 9 | 69.1 Ų | 69.1 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 175.3 | -74.2 | 0 | 0 | 0 | 0 | 111.8 | E712 E741 L742 A748 G749 | E712-S745 PolarHBondContact OE1-OG 2.86Å; E741-S745 PolarHBondContact O-N 3.09Å; L742-S745 PolarHBondContact O-N 2.78Å; S745-A748 PolarHBondContact O-N 3.38Å; S745-G749 PolarHBondContact O-N 3.32Å |
| 746 | A | 92 | Very high | 82.8 | Confident | 2 Ų | 2 | 71.6 Ų | 71.6 | 2% | 0.017 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L711 G715 L719 L742 L743 R744 G749 D750 | L711-A746 HydrophobicContact CB-CB 4.34Å; L711-A746 HydrophobicContact CD2-CB 4.16Å; G715-A746 WeakPolarHBondContact CA-O 3.49Å; L719-A746 HydrophobicContact CD1-CB 3.69Å; L719-A746 HydrophobicContact CG-CB 4.48Å; L742-A746 WeakPolarHBondContact O-CB 3.39Å; L742-A746 PolarHBondContact O-N 3.36Å; L743-A746 PolarHBondContact O-N 3.09Å; R744-A746 VanDerWaalsContact C-N 3.34Å; R744-A746 PolarHBondContact O-N 2.9Å; A746-G749 PolarHBondContact O-N 3.34Å; A746-D750 PolarHBondContact O-N 2.68Å |
| 747 | Q | 89.4 | Confident | 81.1 | Confident | 132 Ų | 132 | 69.3 Ų | 69.3 | 62% | 0.617 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66 | -37.7 | 176.4 | -172.7 | 178.3 | 6.5 | 0 | 0 | 112.1 | L743 R744 G749 D750 S751 | L743-Q747 WeakPolarHBondContact O-CB 3.41Å; L743-Q747 PolarHBondContact O-N 3.4Å; R744-Q747 PolarHBondContact O-N 3.43Å; Q747-G749 VanDerWaalsContact C-N 3.34Å; Q747-D750 PolarHBondContact O-N 3.28Å; Q747-S751 WeakPolarHBondContact O-CB 3.47Å; Q747-S751 PolarHBondContact O-N 2.91Å; Q747-S751 PolarHBondContact O-OG 3.08Å |
| 748 | A | 87.4 | Confident | 79.3 | Confident | 53 Ų | 53 | 72.4 Ų | 72.4 | 44% | 0.438 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | R744 S745 S751 A752 | R744-A748 WeakPolarHBondContact O-CB 3.29Å; R744-A748 PolarHBondContact O-N 3.13Å; S745-A748 PolarHBondContact O-N 3.38Å; A748-S751 PolarHBondContact O-N 2.99Å; A748-A752 WeakPolarHBondContact O-CB 3.48Å; A748-A752 PolarHBondContact O-N 3.22Å |
| 749 | G | 84.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63 | -42.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | E712 S745 A746 Q747 S751 A752 R753 | E712-G749 VanDerWaalsContact O-CA 3.23Å; E712-G749 WeakPolarHBondContact O-CA 3.4Å; S745-G749 PolarHBondContact O-N 3.32Å; A746-G749 PolarHBondContact O-N 3.34Å; Q747-G749 VanDerWaalsContact C-N 3.34Å; G749-S751 VanDerWaalsContact C-N 3.33Å; G749-S751 PolarHBondContact O-N 3.38Å; G749-A752 PolarHBondContact O-N 3.11Å; G749-R753 WeakPolarHBondContact O-CB 3.25Å; G749-R753 VanDerWaalsContact O-CG 3.32Å; G749-R753 WeakPolarHBondContact O-CG 3.46Å; G749-R753 PolarHBondContact O-N 2.79Å |
| 750 | D | 82.9 | Confident | 76.2 | Confident | 50 Ų | 50 | 69.5 Ų | 69.5 | 27% | 0.267 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 175.5 | -69.8 | -25.7 | 0 | 0 | 0 | 112 | G715 S716 A746 Q747 T754 | G715-D750 WeakPolarHBondContact CA-OD1 3.31Å; S716-D750 WeakPolarHBondContact CB-OD2 3.38Å; S716-D750 PolarHBondContact N-OD1 3.03Å; S716-D750 PolarHBondContact N-OD2 3.13Å; S716-D750 PolarHBondContact OG-OD1 3.25Å; S716-D750 PolarHBondContact OG-OD2 2.91Å; A746-D750 PolarHBondContact O-N 2.68Å; Q747-D750 PolarHBondContact O-N 3.28Å; D750-T754 WeakPolarHBondContact O-CB 3.31Å; D750-T754 WeakPolarHBondContact O-CG2 3.49Å; D750-T754 PolarHBondContact O-N 2.94Å; D750-T754 PolarHBondContact O-OG1 3.35Å |
| 751 | S | 80.8 | Confident | 75.1 | Confident | 61 Ų | 61 | 65.6 Ų | 65.6 | 43% | 0.427 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.9 | -37.5 | 175.9 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | Q747 A748 G749 T754 N755 | Q747-S751 WeakPolarHBondContact O-CB 3.47Å; Q747-S751 PolarHBondContact O-N 2.91Å; Q747-S751 PolarHBondContact O-OG 3.08Å; A748-S751 PolarHBondContact O-N 2.99Å; G749-S751 VanDerWaalsContact C-N 3.33Å; G749-S751 PolarHBondContact O-N 3.38Å; S751-T754 WeakPolarHBondContact CA-OG1 3.45Å; S751-T754 PolarHBondContact O-OG1 3.44Å; S751-T754 VanDerWaalsContact O-OG1 3.07Å; S751-N755 PolarHBondContact O-N 2.91Å; S751-N755 PolarHBondContact O-ND2 3.07Å |
| 752 | A | 72.8 | Confident | 74.1 | Confident | 51 Ų | 51 | 67.2 Ų | 67.2 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68 | -44.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A748 G749 N755 K756 | A748-A752 WeakPolarHBondContact O-CB 3.48Å; A748-A752 PolarHBondContact O-N 3.22Å; G749-A752 PolarHBondContact O-N 3.11Å; A752-N755 PolarHBondContact O-N 3.38Å; A752-K756 WeakPolarHBondContact O-CB 3.4Å; A752-K756 PolarHBondContact O-N 3Å |
| 753 | R | 67.1 | Low | 73.3 | Confident | 90 Ų | 90 | 68.2 Ų | 68.2 | 34% | 0.34 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 177.4 | -77.5 | -178.1 | 65.2 | -163.1 | -3.2 | 113 | A714 G749 N755 K756 D757 | A714-R753 VanDerWaalsContact O-CD 3.26Å; A714-R753 WeakPolarHBondContact O-CD 3.43Å; A714-R753 PolarHBondContact O-NH1 3.18Å; G749-R753 WeakPolarHBondContact O-CB 3.25Å; G749-R753 VanDerWaalsContact O-CG 3.32Å; G749-R753 WeakPolarHBondContact O-CG 3.46Å; G749-R753 PolarHBondContact O-N 2.79Å; R753-N755 PolarHBondContact O-N 2.94Å; R753-K756 PolarHBondContact O-N 3.18Å; R753-K756 VanDerWaalsContact O-N 3.14Å; R753-D757 WeakPolarHBondContact O-CB 3.47Å; R753-D757 PolarHBondContact O-N 3.46Å |
| 754 | T | 58.8 | Low | 72.7 | Confident | 80 Ų | 80 | 68.6 Ų | 68.6 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -24.9 | 176.7 | 45.5 | 0 | 0 | 0 | 0 | 113.8 | D750 S751 K758 | D750-T754 WeakPolarHBondContact O-CB 3.31Å; D750-T754 WeakPolarHBondContact O-CG2 3.49Å; D750-T754 PolarHBondContact O-N 2.94Å; D750-T754 PolarHBondContact O-OG1 3.35Å; S751-T754 WeakPolarHBondContact CA-OG1 3.45Å; S751-T754 PolarHBondContact O-OG1 3.44Å; S751-T754 VanDerWaalsContact O-OG1 3.07Å; T754-K758 WeakPolarHBondContact O-CG 3.22Å |
| 755 | N | 54.9 | Low | 72.3 | Confident | 106 Ų | 106 | 65.7 Ų | 65.7 | 57% | 0.567 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -86.1 | -38.4 | 170.6 | -74.7 | -31.1 | 0 | 0 | 0 | 112.4 | S751 A752 R753 K758 T759 | S751-N755 PolarHBondContact O-N 2.91Å; S751-N755 PolarHBondContact O-ND2 3.07Å; A752-N755 PolarHBondContact O-N 3.38Å; R753-N755 PolarHBondContact O-N 2.94Å; N755-K758 PolarHBondContact O-N 3.12Å; N755-T759 PolarHBondContact O-N 3.41Å; N755-T759 PolarHBondContact O-OG1 3.46Å |
| 756 | K | 53.3 | Low | 72 | Confident | 86 Ų | 86 | 65.5 Ų | 65.5 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71.4 | -41.1 | 179.9 | -157.4 | -177.6 | -177.4 | -143.9 | 0 | 112.3 | A752 R753 K758 T759 E760 | A752-K756 WeakPolarHBondContact O-CB 3.4Å; A752-K756 PolarHBondContact O-N 3Å; R753-K756 PolarHBondContact O-N 3.18Å; R753-K756 VanDerWaalsContact O-N 3.14Å; K756-K758 PolarHBondContact O-N 3.22Å; K756-K758 VanDerWaalsContact O-N 3.08Å; K756-T759 CarbonylContact O-C 3.59Å; K756-T759 PolarHBondContact O-N 3.22Å; K756-E760 VanDerWaalsContact CE-CD 3.46Å; K756-E760 WeakPolarHBondContact CE-OE1 3.35Å; K756-E760 WeakPolarHBondContact CE-OE2 3.45Å; K756-E760 HydrophobicContact CG-CB 4.13Å; K756-E760 WeakPolarHBondContact CG-OE2 3.49Å; K756-E760 IonicContact NZ-OE1 3.65Å; K756-E760 PolarHBondContact NZ-OE1 3.12Å; K756-E760 IonicContact NZ-OE2 3.54Å; K756-E760 PolarHBondContact NZ-OE2 3.14Å; K756-E760 WeakPolarHBondContact O-CA 2.94Å; K756-E760 WeakPolarHBondContact O-CB 3.39Å; K756-E760 PolarHBondContact O-N 2.98Å |
| 757 | D | 51.8 | Low | 71.9 | Confident | 89 Ų | 89 | 65.4 Ų | 65.4 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.5 | -18.9 | 173.7 | -69.7 | -21.6 | 0 | 0 | 0 | 112.5 | R753 | R753-D757 WeakPolarHBondContact O-CB 3.47Å; R753-D757 PolarHBondContact O-N 3.46Å |
| 758 | K | 51.2 | Low | 71.9 | Confident | 143 Ų | 143 | 60.3 Ų | 60.3 | 62% | 0.622 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -88.2 | -23.4 | 173.7 | -71.2 | 178.5 | -177.7 | 173.2 | 0 | 113.6 | T754 N755 K756 | T754-K758 WeakPolarHBondContact O-CG 3.22Å; N755-K758 PolarHBondContact O-N 3.12Å; K756-K758 PolarHBondContact O-N 3.22Å; K756-K758 VanDerWaalsContact O-N 3.08Å |
| 759 | T | 54.3 | Low | 72 | Confident | 44 Ų | 44 | 58 Ų | 58 | 27% | 0.27 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -120 | -15.4 | -171.2 | 52 | 0 | 0 | 0 | 0 | 114.3 | N755 K756 V761 A849 E853 | N755-T759 PolarHBondContact O-N 3.41Å; N755-T759 PolarHBondContact O-OG1 3.46Å; K756-T759 CarbonylContact O-C 3.59Å; K756-T759 PolarHBondContact O-N 3.22Å; T759-V761 PolarHBondContact O-N 3.4Å; T759-A849 HydrophobicContact CG2-CB 4.08Å; T759-E853 WeakPolarHBondContact CB-OE2 3.45Å; T759-E853 WeakPolarHBondContact CG2-OE1 3.44Å; T759-E853 WeakPolarHBondContact CG2-OE2 3.42Å |
| 760 | E | 63.2 | Low | 72.4 | Confident | 54 Ų | 54 | 58 Ų | 58 | 25% | 0.252 | 31% | 0.312 | S | S | . | . | trans | -75.9 | 111.1 | -176.2 | -167.9 | 160.8 | -149 | 0 | 0 | 110.5 | K756 L762 | K756-E760 VanDerWaalsContact CE-CD 3.46Å; K756-E760 WeakPolarHBondContact CE-OE1 3.35Å; K756-E760 WeakPolarHBondContact CE-OE2 3.45Å; K756-E760 HydrophobicContact CG-CB 4.13Å; K756-E760 WeakPolarHBondContact CG-OE2 3.49Å; K756-E760 IonicContact NZ-OE1 3.65Å; K756-E760 PolarHBondContact NZ-OE1 3.12Å; K756-E760 IonicContact NZ-OE2 3.54Å; K756-E760 PolarHBondContact NZ-OE2 3.14Å; K756-E760 WeakPolarHBondContact O-CA 2.94Å; K756-E760 WeakPolarHBondContact O-CB 3.39Å; K756-E760 PolarHBondContact O-N 2.98Å; E760-L762 HydrophobicContact CG-CD2 4.15Å; E760-L762 PolarHBondContact O-N 3.49Å | ||
| 761 | V | 67 | Low | 73 | Confident | 40 Ų | 40 | 55.6 Ų | 55.6 | 24% | 0.242 | 30% | 0.3 | C | S | . | . | trans | -77.8 | 101.8 | 171.4 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | A572 T759 N763 L764 L767 A850 | A572-V761 HydrophobicContact CB-CG1 4.46Å; T759-V761 PolarHBondContact O-N 3.4Å; V761-N763 VanDerWaalsContact C-N 3.34Å; V761-L764 HydrophobicContact CG1-CB 3.99Å; V761-L764 HydrophobicContact CG1-CD1 4.13Å; V761-L767 HydrophobicContact CB-CD2 4.34Å; V761-L767 HydrophobicContact CG1-CB 4.16Å; V761-L767 HydrophobicContact CG1-CD2 3.65Å; V761-L767 HydrophobicContact CG2-CD2 3.63Å; V761-A850 HydrophobicContact CG2-CB 3.73Å | ||
| 762 | L | 71.7 | Confident | 73.6 | Confident | 92 Ų | 92 | 52.8 Ų | 52.8 | 48% | 0.482 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -75.5 | -23.9 | 179 | -66.2 | 173.9 | 0 | 0 | 0 | 112.8 | A572 Q573 E760 | A572-L762 PolarHBondContact O-N 3.23Å; Q573-L762 VanDerWaalsContact O-CD1 3.27Å; Q573-L762 WeakPolarHBondContact O-CD1 3.36Å; E760-L762 HydrophobicContact CG-CD2 4.15Å; E760-L762 PolarHBondContact O-N 3.49Å |
| 763 | N | 76 | Confident | 74.6 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | trans | -138.9 | 80.3 | 179.3 | -165.5 | -24.3 | 0 | 0 | 0 | 111.6 | A572 S574 V761 P765 L766 L767 | A572-N763 PolarHBondContact O-N 3.47Å; A572-N763 VanDerWaalsContact O-N 3.07Å; S574-N763 VanDerWaalsContact O-CB 3.25Å; S574-N763 WeakPolarHBondContact O-CB 3.43Å; V761-N763 VanDerWaalsContact C-N 3.34Å; N763-P765 WeakPolarHBondContact OD1-CD 3.34Å; N763-L766 HydrophobicContact CB-CB 4.05Å; N763-L766 PolarHBondContact O-N 3Å; N763-L766 VanDerWaalsContact OD1-CB 3.26Å; N763-L766 WeakPolarHBondContact OD1-CB 3.22Å; N763-L766 PolarHBondContact OD1-N 3.22Å; N763-L767 PolarHBondContact O-N 3.35Å | ||
| 764 | L | 82.4 | Confident | 76 | Confident | 88 Ų | 88 | 46.1 Ų | 46.1 | 46% | 0.461 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.2 | -42.9 | -180 | -177.9 | 65.6 | 0 | 0 | 0 | 113.4 | V761 L766 L767 E768 C854 | V761-L764 HydrophobicContact CG1-CB 3.99Å; V761-L764 HydrophobicContact CG1-CD1 4.13Å; L764-L766 VanDerWaalsContact C-N 3.29Å; L764-L766 PolarHBondContact O-N 2.94Å; L764-L767 PolarHBondContact O-N 3.11Å; L764-E768 HydrophobicContact CD1-CG 4.17Å; L764-E768 HydrophobicContact CG-CG 4.42Å; L764-E768 WeakPolarHBondContact O-CB 3.47Å; L764-E768 PolarHBondContact O-N 3.03Å; L764-C854 WeakPolarHBondContact CD1-SG 3.26Å |
| 765 | P | 83.8 | Confident | 77.7 | Confident | 88 Ų | 88 | 42.4 Ų | 42.4 | 57% | 0.571 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -59.2 | -38.6 | 176.2 | -25.8 | 35.1 | 0 | 0 | 0 | 113.4 | N763 A769 | N763-P765 WeakPolarHBondContact OD1-CD 3.34Å; P765-A769 VanDerWaalsContact O-CB 3.27Å; P765-A769 WeakPolarHBondContact O-CB 3.39Å; P765-A769 PolarHBondContact O-N 2.9Å |
| 766 | L | 86.4 | Confident | 79.5 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -73.8 | -38.4 | 179.9 | -171.6 | 62.6 | 0 | 0 | 0 | 111.9 | P515 L542 L571 N763 L764 G770 | P515-L766 HydrophobicContact CG-CD1 4.15Å; L542-L766 HydrophobicContact CD1-CD1 3.44Å; L542-L766 VanDerWaalsContact CD1-CD1 3.44Å; L542-L766 HydrophobicContact CD2-CD1 3.79Å; L542-L766 HydrophobicContact CG-CD1 3.67Å; L571-L766 HydrophobicContact CB-CD2 4.1Å; L571-L766 HydrophobicContact CB-CG 4.13Å; L571-L766 HydrophobicContact CD2-CD2 3.92Å; L571-L766 HydrophobicContact CD2-CG 4.34Å; L571-L766 WeakPolarHBondContact O-CD2 3.41Å; N763-L766 HydrophobicContact CB-CB 4.05Å; N763-L766 PolarHBondContact O-N 3Å; N763-L766 VanDerWaalsContact OD1-CB 3.26Å; N763-L766 WeakPolarHBondContact OD1-CB 3.22Å; N763-L766 PolarHBondContact OD1-N 3.22Å; L764-L766 VanDerWaalsContact C-N 3.29Å; L764-L766 PolarHBondContact O-N 2.94Å; L766-G770 PolarHBondContact O-N 3.43Å |
| 767 | L | 89.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.5 | -52.1 | 171.3 | 173 | 58.8 | 0 | 0 | 0 | 110.6 | L568 A572 V761 N763 L764 A769 G770 S771 A851 C854 | L568-L767 HydrophobicContact CD1-CD1 3.97Å; L568-L767 HydrophobicContact CD2-CD1 4.14Å; L568-L767 HydrophobicContact CG-CD1 3.87Å; A572-L767 HydrophobicContact CB-CB 4.05Å; A572-L767 HydrophobicContact CB-CD1 4.09Å; A572-L767 HydrophobicContact CB-CD2 4.17Å; A572-L767 HydrophobicContact CB-CG 4.32Å; V761-L767 HydrophobicContact CB-CD2 4.34Å; V761-L767 HydrophobicContact CG1-CB 4.16Å; V761-L767 HydrophobicContact CG1-CD2 3.65Å; V761-L767 HydrophobicContact CG2-CD2 3.63Å; N763-L767 PolarHBondContact O-N 3.35Å; L764-L767 PolarHBondContact O-N 3.11Å; L767-A769 VanDerWaalsContact C-N 3.35Å; L767-A769 PolarHBondContact O-N 3.03Å; L767-G770 PolarHBondContact O-N 3Å; L767-S771 VanDerWaalsContact O-CB 3.31Å; L767-S771 WeakPolarHBondContact O-CB 3.17Å; L767-S771 PolarHBondContact O-N 3.41Å; L767-S771 PolarHBondContact O-OG 3.21Å; L767-A851 HydrophobicContact CD1-CB 4.18Å; L767-C854 HydrophobicContact CD2-CB 3.92Å |
| 768 | E | 89.6 | Confident | 83.5 | Confident | 25 Ų | 25 | 30.7 Ų | 30.7 | 12% | 0.117 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.9 | -44 | 179.6 | -80.1 | -65.7 | 117.9 | 0 | 0 | 112.2 | L764 S771 S772 G856 E857 N858 T859 | L764-E768 HydrophobicContact CD1-CG 4.17Å; L764-E768 HydrophobicContact CG-CG 4.42Å; L764-E768 WeakPolarHBondContact O-CB 3.47Å; L764-E768 PolarHBondContact O-N 3.03Å; E768-S771 PolarHBondContact O-N 3.16Å; E768-S772 WeakPolarHBondContact O-CB 3.36Å; E768-S772 PolarHBondContact O-N 3.23Å; E768-G856 WeakPolarHBondContact OE1-CA 3.37Å; E768-E857 PolarHBondContact OE2-N 3.42Å; E768-N858 VanDerWaalsContact O-CB 3.24Å; E768-N858 WeakPolarHBondContact O-CB 3.48Å; E768-N858 WeakPolarHBondContact OE2-CA 3.4Å; E768-N858 WeakPolarHBondContact OE2-CB 3.41Å; E768-N858 PolarHBondContact OE2-N 3.48Å; E768-N858 PolarHBondContact OE2-ND2 3.21Å; E768-T859 VanDerWaalsContact OE1-CB 3.25Å; E768-T859 WeakPolarHBondContact OE1-CB 3.13Å; E768-T859 PolarHBondContact OE1-N 3.44Å; E768-T859 PolarHBondContact OE1-OG1 3.44Å |
| 769 | A | 90.8 | Very high | 85.4 | Confident | 5 Ų | 5 | 29 Ų | 29 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65 | -46.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P515 V519 P765 L767 S771 S772 L773 | P515-A769 HydrophobicContact CB-CB 3.49Å; P515-A769 VanDerWaalsContact CB-CB 3.49Å; V519-A769 HydrophobicContact CG2-CB 3.58Å; P765-A769 VanDerWaalsContact O-CB 3.27Å; P765-A769 WeakPolarHBondContact O-CB 3.39Å; P765-A769 PolarHBondContact O-N 2.9Å; L767-A769 VanDerWaalsContact C-N 3.35Å; L767-A769 PolarHBondContact O-N 3.03Å; A769-S771 VanDerWaalsContact C-N 3.33Å; A769-S771 PolarHBondContact O-N 2.96Å; A769-S772 PolarHBondContact O-N 3Å; A769-L773 VanDerWaalsContact O-CG 3.26Å; A769-L773 WeakPolarHBondContact O-CG 3.5Å; A769-L773 PolarHBondContact O-N 2.84Å |
| 770 | G | 92.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L766 L767 L773 L774 | L766-G770 PolarHBondContact O-N 3.43Å; L767-G770 PolarHBondContact O-N 3Å; G770-L773 PolarHBondContact O-N 3.41Å; G770-L774 WeakPolarHBondContact O-CG 3.35Å; G770-L774 PolarHBondContact O-N 3.39Å |
| 771 | S | 93.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 175.4 | -69.1 | 0 | 0 | 0 | 0 | 111.3 | L767 E768 A769 L773 L774 A775 T859 | L767-S771 VanDerWaalsContact O-CB 3.31Å; L767-S771 WeakPolarHBondContact O-CB 3.17Å; L767-S771 PolarHBondContact O-N 3.41Å; L767-S771 PolarHBondContact O-OG 3.21Å; E768-S771 PolarHBondContact O-N 3.16Å; A769-S771 VanDerWaalsContact C-N 3.33Å; A769-S771 PolarHBondContact O-N 2.96Å; S771-L773 PolarHBondContact O-N 3.48Å; S771-L774 PolarHBondContact O-N 2.86Å; S771-A775 WeakPolarHBondContact O-CB 3.47Å; S771-A775 PolarHBondContact O-N 2.86Å; S771-T859 PolarHBondContact OG-OG1 3.27Å |
| 772 | S | 94.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.007 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 177.6 | -160.8 | 0 | 0 | 0 | 0 | 111.9 | V519 E768 A769 A775 H776 N858 | V519-S772 WeakPolarHBondContact CG1-OG 3.34Å; E768-S772 WeakPolarHBondContact O-CB 3.36Å; E768-S772 PolarHBondContact O-N 3.23Å; A769-S772 PolarHBondContact O-N 3Å; S772-A775 PolarHBondContact O-N 3.47Å; S772-H776 PolarHBondContact O-N 3.33Å; S772-H776 PolarHBondContact O-ND1 2.88Å; S772-N858 VanDerWaalsContact CB-OD1 3.24Å; S772-N858 WeakPolarHBondContact CB-OD1 3.27Å; S772-N858 PolarHBondContact OG-OD1 3.3Å |
| 773 | L | 95.1 | Very high | 90 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.5 | -48.1 | 177.2 | -68.7 | 171.1 | 0 | 0 | 0 | 111.1 | V519 V522 V535 I538 F539 L542 A769 G770 S771 A775 H776 L777 | V519-L773 HydrophobicContact CG2-CG 4.48Å; V522-L773 HydrophobicContact CB-CD2 4.16Å; V522-L773 HydrophobicContact CG1-CD2 4.26Å; V522-L773 HydrophobicContact CG2-CD2 3.69Å; V535-L773 HydrophobicContact CG1-CB 4.2Å; V535-L773 HydrophobicContact CG1-CD2 4.39Å; V535-L773 WeakPolarHBondContact CG1-O 3.26Å; I538-L773 HydrophobicContact CG2-CD1 3.74Å; I538-L773 HydrophobicContact CG2-CD2 3.96Å; F539-L773 HydrophobicContact CD2-CB 4.08Å; F539-L773 HydrophobicContact CD2-CD1 4.29Å; L542-L773 HydrophobicContact CD2-CD1 4.06Å; A769-L773 VanDerWaalsContact O-CG 3.26Å; A769-L773 WeakPolarHBondContact O-CG 3.5Å; A769-L773 PolarHBondContact O-N 2.84Å; G770-L773 PolarHBondContact O-N 3.41Å; S771-L773 PolarHBondContact O-N 3.48Å; L773-A775 PolarHBondContact O-N 3.3Å; L773-H776 PolarHBondContact O-N 2.88Å; L773-L777 WeakPolarHBondContact O-CB 3.47Å; L773-L777 PolarHBondContact O-N 2.81Å |
| 774 | L | 95.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.9 | -37.5 | -180 | -68.5 | -172.6 | 0 | 0 | 0 | 113.2 | F539 Y564 L565 L568 G770 S771 L777 I778 L862 | F539-L774 HydrophobicContact CD1-CD2 4.02Å; F539-L774 HydrophobicContact CD2-CD2 3.7Å; F539-L774 HydrophobicContact CD2-CG 3.92Å; F539-L774 HydrophobicContact CE1-CD2 3.94Å; F539-L774 HydrophobicContact CE2-CD1 3.83Å; F539-L774 HydrophobicContact CE2-CD2 3.6Å; F539-L774 HydrophobicContact CE2-CG 3.49Å; F539-L774 VanDerWaalsContact CE2-CG 3.49Å; F539-L774 HydrophobicContact CG-CD2 3.92Å; F539-L774 HydrophobicContact CZ-CD1 3.78Å; F539-L774 HydrophobicContact CZ-CD2 3.73Å; F539-L774 HydrophobicContact CZ-CG 3.87Å; Y564-L774 HydrophobicContact CD2-CD2 3.71Å; Y564-L774 HydrophobicContact CG-CD2 4.06Å; L565-L774 HydrophobicContact CD2-CD1 4.07Å; L568-L774 HydrophobicContact CB-CD1 4.02Å; L568-L774 HydrophobicContact CD2-CD1 4.03Å; G770-L774 WeakPolarHBondContact O-CG 3.35Å; G770-L774 PolarHBondContact O-N 3.39Å; S771-L774 PolarHBondContact O-N 2.86Å; L774-L777 HydrophobicContact CD2-CD2 4.12Å; L774-L777 WeakPolarHBondContact O-CB 3.26Å; L774-L777 PolarHBondContact O-N 3.1Å; L774-I778 VanDerWaalsContact O-CG1 3.31Å; L774-I778 WeakPolarHBondContact O-CG1 3.47Å; L774-I778 PolarHBondContact O-N 3.19Å; L774-L862 HydrophobicContact CB-CD1 3.86Å; L774-L862 HydrophobicContact CB-CD2 4.44Å |
| 775 | A | 94.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S771 S772 L773 L777 I778 F779 F861 L862 | S771-A775 WeakPolarHBondContact O-CB 3.47Å; S771-A775 PolarHBondContact O-N 2.86Å; S772-A775 PolarHBondContact O-N 3.47Å; L773-A775 PolarHBondContact O-N 3.3Å; A775-L777 VanDerWaalsContact C-N 3.3Å; A775-L777 PolarHBondContact O-N 3.39Å; A775-I778 PolarHBondContact O-N 3.25Å; A775-F779 PolarHBondContact O-N 3.01Å; A775-F779 VanDerWaalsContact O-N 3.1Å; A775-F861 HydrophobicContact CB-CD1 3.38Å; A775-F861 HydrophobicContact CB-CE1 3.5Å; A775-F861 HydrophobicContact CB-CG 4.34Å; A775-L862 HydrophobicContact CB-CB 4.27Å; A775-L862 HydrophobicContact CB-CD1 4.29Å |
| 776 | H | 94.1 | Very high | 89.6 | Confident | 33 Ų | 33 | 19.8 Ų | 19.8 | 15% | 0.153 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63 | -35.9 | 174.7 | -77.1 | 94.5 | 0 | 0 | 0 | 112.8 | V522 C523 V535 S772 L773 S780 | V522-H776 HydrophobicContact CG1-CB 4.02Å; C523-H776 VanDerWaalsContact SG-CE1 3.52Å; V535-H776 HydrophobicContact CG2-CB 4.27Å; S772-H776 PolarHBondContact O-N 3.33Å; S772-H776 PolarHBondContact O-ND1 2.88Å; L773-H776 PolarHBondContact O-N 2.88Å; H776-S780 VanDerWaalsContact O-CB 3.22Å; H776-S780 WeakPolarHBondContact O-CB 3.41Å; H776-S780 PolarHBondContact O-N 3.04Å; H776-S780 PolarHBondContact O-OG 3.07Å |
| 777 | L | 94.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.4 | -49.1 | 176.1 | -170.2 | 63.4 | 0 | 0 | 0 | 111 | L532 V535 D536 L555 I560 Y564 L773 L774 A775 F779 S780 Y781 | L532-L777 HydrophobicContact CD1-CD1 3.97Å; V535-L777 HydrophobicContact CB-CD1 4.21Å; V535-L777 HydrophobicContact CG1-CB 3.64Å; V535-L777 HydrophobicContact CG1-CD1 3.98Å; V535-L777 HydrophobicContact CG1-CG 4.31Å; D536-L777 HydrophobicContact CB-CD1 4.07Å; L555-L777 HydrophobicContact CD1-CD1 4.36Å; L555-L777 HydrophobicContact CD1-CD2 4.16Å; L555-L777 HydrophobicContact CD2-CD1 4.03Å; I560-L777 HydrophobicContact CD1-CD2 4.09Å; I560-L777 HydrophobicContact CD1-CG 4.01Å; I560-L777 HydrophobicContact CG1-CD2 3.84Å; I560-L777 HydrophobicContact CG1-CG 4.33Å; Y564-L777 HydrophobicContact CD2-CD2 3.52Å; Y564-L777 HydrophobicContact CE2-CD2 3.53Å; L773-L777 WeakPolarHBondContact O-CB 3.47Å; L773-L777 PolarHBondContact O-N 2.81Å; L774-L777 HydrophobicContact CD2-CD2 4.12Å; L774-L777 WeakPolarHBondContact O-CB 3.26Å; L774-L777 PolarHBondContact O-N 3.1Å; A775-L777 VanDerWaalsContact C-N 3.3Å; A775-L777 PolarHBondContact O-N 3.39Å; L777-F779 PolarHBondContact O-N 3.18Å; L777-S780 PolarHBondContact O-N 3.22Å; L777-Y781 WeakPolarHBondContact O-CB 3.39Å; L777-Y781 PolarHBondContact O-N 3.1Å |
| 778 | I | 93.3 | Very high | 86.8 | Confident | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56.5 | -52.6 | 178.7 | -73.3 | 164.5 | 0 | 0 | 0 | 110.3 | I560 L774 A775 S780 Y781 Q782 L862 A865 L866 L869 | I560-I778 HydrophobicContact CG2-CD1 4.32Å; I560-I778 HydrophobicContact CG2-CG1 3.8Å; L774-I778 VanDerWaalsContact O-CG1 3.31Å; L774-I778 WeakPolarHBondContact O-CG1 3.47Å; L774-I778 PolarHBondContact O-N 3.19Å; A775-I778 PolarHBondContact O-N 3.25Å; I778-S780 PolarHBondContact O-N 2.85Å; I778-Y781 PolarHBondContact O-N 3.36Å; I778-Q782 WeakPolarHBondContact O-CG 3.49Å; I778-Q782 PolarHBondContact O-N 3.48Å; I778-L862 HydrophobicContact CD1-CD1 3.81Å; I778-A865 HydrophobicContact CD1-CB 4.44Å; I778-A865 HydrophobicContact CG2-CB 4.32Å; I778-L866 HydrophobicContact CD1-CD2 3.85Å; I778-L866 HydrophobicContact CD1-CG 4.4Å; I778-L869 HydrophobicContact CB-CD1 4.48Å; I778-L869 HydrophobicContact CD1-CD1 4.14Å; I778-L869 HydrophobicContact CG1-CD1 4.19Å; I778-L869 HydrophobicContact CG2-CD1 3.48Å; I778-L869 VanDerWaalsContact CG2-CD1 3.48Å; I778-L869 HydrophobicContact CG2-CD2 4.47Å; I778-L869 HydrophobicContact CG2-CG 3.93Å |
| 779 | F | 90.1 | Very high | 84.8 | Confident | 108 Ų | 108 | 22.4 Ų | 22.4 | 47% | 0.474 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -63.2 | -44.8 | -177.6 | -173.8 | -95.4 | 0 | 0 | 0 | 112 | A775 L777 Y781 Q782 K783 | A775-F779 PolarHBondContact O-N 3.01Å; A775-F779 VanDerWaalsContact O-N 3.1Å; L777-F779 PolarHBondContact O-N 3.18Å; F779-Y781 VanDerWaalsContact C-N 3.34Å; F779-Y781 PolarHBondContact O-N 3.46Å; F779-Q782 PolarHBondContact O-N 3.04Å; F779-K783 HydrophobicContact CE1-CD 4.43Å; F779-K783 WeakPolarHBondContact O-CB 3.5Å; F779-K783 PolarHBondContact O-N 3.23Å; F779-K783 VanDerWaalsContact O-N 3.09Å |
| 780 | S | 91.3 | Very high | 82.2 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.7 | -40 | 178.3 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | K531 H776 L777 I778 K783 E784 | K531-S780 VanDerWaalsContact CD-OG 3.25Å; K531-S780 WeakPolarHBondContact CD-OG 3.47Å; K531-S780 WeakPolarHBondContact CG-OG 3.46Å; H776-S780 VanDerWaalsContact O-CB 3.22Å; H776-S780 WeakPolarHBondContact O-CB 3.41Å; H776-S780 PolarHBondContact O-N 3.04Å; H776-S780 PolarHBondContact O-OG 3.07Å; L777-S780 PolarHBondContact O-N 3.22Å; I778-S780 PolarHBondContact O-N 2.85Å; S780-K783 PolarHBondContact O-N 2.97Å; S780-E784 WeakPolarHBondContact O-CB 3.43Å; S780-E784 WeakPolarHBondContact O-CG 3.39Å; S780-E784 PolarHBondContact O-N 3.44Å |
| 781 | Y | 91.3 | Very high | 79.6 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.5 | -48.2 | 178 | -171 | -91.4 | 0 | 0 | 0 | 111.4 | L532 L555 S556 L557 I560 L777 I778 F779 K783 E784 R785 L787 D831 | L532-Y781 HydrophobicContact CD1-CD2 4.09Å; L532-Y781 HydrophobicContact CD1-CG 4.47Å; L555-Y781 HydrophobicContact CD2-CD2 4.03Å; L555-Y781 HydrophobicContact CD2-CE2 4.43Å; L555-Y781 HydrophobicContact CG-CD2 4.03Å; L555-Y781 HydrophobicContact CG-CE2 4.06Å; S556-Y781 WeakPolarHBondContact CA-OH 3.25Å; L557-Y781 HydrophobicContact CB-CE1 4.05Å; I560-Y781 HydrophobicContact CD1-CD1 4.47Å; I560-Y781 HydrophobicContact CD1-CD2 4.26Å; I560-Y781 HydrophobicContact CD1-CG 4.04Å; L777-Y781 WeakPolarHBondContact O-CB 3.39Å; L777-Y781 PolarHBondContact O-N 3.1Å; I778-Y781 PolarHBondContact O-N 3.36Å; F779-Y781 VanDerWaalsContact C-N 3.34Å; F779-Y781 PolarHBondContact O-N 3.46Å; Y781-K783 VanDerWaalsContact C-N 3.33Å; Y781-K783 PolarHBondContact O-N 3.21Å; Y781-E784 PolarHBondContact O-N 3.08Å; Y781-R785 HydrophobicContact CD1-CG 4.15Å; Y781-R785 HydrophobicContact CD2-CG 4.15Å; Y781-R785 HydrophobicContact CE1-CB 4.25Å; Y781-R785 HydrophobicContact CE1-CG 3.79Å; Y781-R785 HydrophobicContact CE2-CG 3.8Å; Y781-R785 HydrophobicContact CG-CG 4.3Å; Y781-R785 WeakPolarHBondContact O-CB 3.31Å; Y781-R785 WeakPolarHBondContact O-CG 3.5Å; Y781-R785 PolarHBondContact O-N 3.33Å; Y781-L787 HydrophobicContact CD1-CD1 4.04Å; Y781-L787 HydrophobicContact CE1-CD1 3.8Å; Y781-D831 WeakPolarHBondContact CE1-OD2 3.29Å; Y781-D831 VanDerWaalsContact OH-CG 3.26Å; Y781-D831 PolarHBondContact OH-OD1 3.14Å; Y781-D831 PolarHBondContact OH-OD2 2.84Å |
| 782 | Q | 86.6 | Confident | 76.9 | Confident | 29 Ų | 29 | 44.3 Ų | 44.3 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.2 | -45.4 | 176.3 | -73.7 | 177.6 | -46.8 | 0 | 0 | 111.7 | I778 F779 G786 L869 | I778-Q782 WeakPolarHBondContact O-CG 3.49Å; I778-Q782 PolarHBondContact O-N 3.48Å; F779-Q782 PolarHBondContact O-N 3.04Å; Q782-G786 WeakPolarHBondContact O-CA 3.3Å; Q782-G786 PolarHBondContact O-N 3.4Å; Q782-L869 HydrophobicContact CG-CD2 4.18Å |
| 783 | K | 84.9 | Confident | 74.3 | Confident | 117 Ų | 117 | 48.6 Ų | 48.6 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.7 | -43.7 | -179.1 | -173 | 162.4 | 169.3 | -165.3 | 0 | 112.6 | K230 T528 F779 S780 Y781 | K230-K783 WeakPolarHBondContact CE-O 3.2Å; K230-K783 PolarHBondContact NZ-O 2.89Å; T528-K783 HydrophobicContact CG2-CD 3.54Å; T528-K783 HydrophobicContact CG2-CG 4.15Å; F779-K783 HydrophobicContact CE1-CD 4.43Å; F779-K783 WeakPolarHBondContact O-CB 3.5Å; F779-K783 PolarHBondContact O-N 3.23Å; F779-K783 VanDerWaalsContact O-N 3.09Å; S780-K783 PolarHBondContact O-N 2.97Å; Y781-K783 VanDerWaalsContact C-N 3.33Å; Y781-K783 PolarHBondContact O-N 3.21Å |
| 784 | E | 84.9 | Confident | 71.8 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 7% | 0.07 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.2 | -45.7 | 180 | -76.3 | -61.7 | 134.1 | 0 | 0 | 112.6 | K230 R235 T528 R529 L532 S780 Y781 | K230-E784 VanDerWaalsContact CE-O 3.26Å; K230-E784 WeakPolarHBondContact CE-O 3.25Å; K230-E784 WeakPolarHBondContact CG-O 3.43Å; R235-E784 VanDerWaalsContact CG-OE1 3.31Å; R235-E784 WeakPolarHBondContact CG-OE1 3.4Å; R235-E784 IonicContact CZ-OE2 2.79Å; R235-E784 IonicContact NE-OE1 3.17Å; R235-E784 PolarHBondContact NE-OE1 3.34Å; R235-E784 IonicContact NE-OE2 2.94Å; R235-E784 PolarHBondContact NE-OE2 3.3Å; R235-E784 IonicContact NH2-OE2 3.77Å; R235-E784 PolarHBondContact NH2-OE2 2.93Å; T528-E784 WeakPolarHBondContact CB-OE1 3.3Å; T528-E784 PolarHBondContact OG1-OE1 3.37Å; R529-E784 PolarHBondContact N-OE1 2.9Å; R529-E784 VanDerWaalsContact N-OE1 3.16Å; L532-E784 HydrophobicContact CD2-CB 4.39Å; L532-E784 HydrophobicContact CD2-CG 4.35Å; S780-E784 WeakPolarHBondContact O-CB 3.43Å; S780-E784 WeakPolarHBondContact O-CG 3.39Å; S780-E784 PolarHBondContact O-N 3.44Å; Y781-E784 PolarHBondContact O-N 3.08Å |
| 785 | R | 81 | Confident | 69.4 | Low | 53 Ų | 53 | 57.5 Ų | 57.5 | 20% | 0.2 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -84.5 | -19.8 | -177.1 | -59.9 | -58.7 | -177.3 | -172.5 | -1.8 | 113.7 | E231 Y781 | E231-R785 IonicContact OE1-CZ 3.73Å; E231-R785 IonicContact OE1-NH1 3.39Å; E231-R785 PolarHBondContact OE1-NH1 3Å; Y781-R785 HydrophobicContact CD1-CG 4.15Å; Y781-R785 HydrophobicContact CD2-CG 4.15Å; Y781-R785 HydrophobicContact CE1-CB 4.25Å; Y781-R785 HydrophobicContact CE1-CG 3.79Å; Y781-R785 HydrophobicContact CE2-CG 3.8Å; Y781-R785 HydrophobicContact CG-CG 4.3Å; Y781-R785 WeakPolarHBondContact O-CB 3.31Å; Y781-R785 WeakPolarHBondContact O-CG 3.5Å; Y781-R785 PolarHBondContact O-N 3.33Å |
| 786 | G | 68.1 | Low | 67.3 | Low | 19 Ų | 19 | 64.3 Ų | 64.3 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 34.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q782 | Q782-G786 WeakPolarHBondContact O-CA 3.3Å; Q782-G786 PolarHBondContact O-N 3.4Å |
| 787 | L | 65.5 | Low | 64.8 | Low | 13 Ų | 13 | 67.6 Ų | 67.6 | 7% | 0.068 | 38% | 0.377 | C | S | . | . | trans | -62.4 | 147.9 | 168.3 | -68.9 | 170.8 | 0 | 0 | 0 | 109.8 | L557 Y781 G789 D831 V832 L835 | L557-L787 HydrophobicContact CD2-CD1 4.24Å; Y781-L787 HydrophobicContact CD1-CD1 4.04Å; Y781-L787 HydrophobicContact CE1-CD1 3.8Å; L787-G789 PolarHBondContact O-N 3.24Å; L787-D831 HydrophobicContact CD1-CB 4.18Å; L787-D831 HydrophobicContact CD2-CB 3.83Å; L787-V832 HydrophobicContact CD2-CG2 4.49Å; L787-L835 HydrophobicContact CB-CD1 4.35Å; L787-L835 HydrophobicContact CD1-CD1 4.46Å; L787-L835 HydrophobicContact CD2-CD1 4.08Å | ||
| 788 | P | 50.2 | Low | 62.6 | Low | 27 Ų | 27 | 74.7 Ų | 74.7 | 18% | 0.175 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -60 | 134.1 | -174.8 | 22 | -30.1 | 0 | 0 | 0 | 110.8 | V801 L835 N872 L876 | P788-V801 HydrophobicContact CG-CG1 3.96Å; P788-L835 HydrophobicContact CG-CD1 4.42Å; P788-N872 WeakPolarHBondContact O-CB 3.4Å; P788-N872 VanDerWaalsContact O-CG 3.32Å; P788-N872 PolarHBondContact O-ND2 2.66Å; P788-L876 HydrophobicContact CG-CD1 4.18Å |
| 789 | G | 47.7 | Very low | 61.5 | Low | 44 Ų | 44 | 77.4 Ų | 77.4 | 45% | 0.454 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 160.2 | -16.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L787 N872 | L787-G789 PolarHBondContact O-N 3.24Å; G789-N872 WeakPolarHBondContact CA-OD1 3.36Å |
| 790 | L | 37.6 | Very low | 61 | Low | 146 Ų | 146 | 73.5 Ų | 73.5 | 76% | 0.764 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -147.8 | 15.6 | -174.5 | -101.7 | 142.2 | 0 | 0 | 0 | 116.6 | ||
| 791 | T | 36.7 | Very low | 60.4 | Low | 130 Ų | 130 | 74.6 Ų | 74.6 | 80% | 0.798 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -111.7 | 118.5 | 177.5 | 47.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 792 | Q | 39 | Very low | 59.8 | Low | 189 Ų | 189 | 76.3 Ų | 76.3 | 88% | 0.883 | 42% | 0.424 | S | S | * | . | trans | -23.8 | 135.6 | 179.1 | -72.6 | 169.6 | -16.5 | 0 | 0 | 117.8 | G794 | Q792-G794 PolarHBondContact O-N 2.93Š| ||
| 793 | S | 38 | Very low | 59.6 | Low | 92 Ų | 92 | 79.7 Ų | 79.7 | 64% | 0.643 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -53.2 | 118.2 | 165.2 | 54.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 794 | G | 43 | Very low | 59.7 | Low | 63 Ų | 63 | 74.2 Ų | 74.2 | 65% | 0.649 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -177 | -30.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q792 | Q792-G794 PolarHBondContact O-N 2.93Š|
| 795 | N | 44.6 | Very low | 59.8 | Low | 126 Ų | 126 | 73.5 Ų | 73.5 | 67% | 0.674 | 41% | 0.411 | S | S | * | . | trans | -153.9 | 70.5 | 178.5 | -90.7 | -33.4 | 0 | 0 | 0 | 111.2 | ||||
| 796 | R | 50.4 | Low | 60 | Low | 143 Ų | 143 | 72.4 Ų | 72.4 | 54% | 0.54 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -70.6 | -46.7 | -170.2 | -66.3 | -176.7 | -175.2 | 172.9 | 2.2 | 115.5 | H798 T799 | R796-H798 VanDerWaalsContact C-N 3.27Å; R796-H798 PolarHBondContact O-N 3.36Å; R796-H798 VanDerWaalsContact O-N 3.14Å; R796-T799 PolarHBondContact O-OG1 3.47Å |
| 797 | P | 41.3 | Very low | 60.9 | Low | 102 Ų | 102 | 72.2 Ų | 72.2 | 66% | 0.662 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -80.1 | 5.6 | -172.5 | 30.5 | -34.9 | 0 | 0 | 0 | 115.6 | ||
| 798 | H | 50.3 | Low | 62 | Low | 149 Ų | 149 | 72.4 Ų | 72.4 | 69% | 0.69 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -117.9 | 7.1 | -179.4 | -64.8 | -23.8 | 0 | 0 | 0 | 113.7 | R796 | R796-H798 VanDerWaalsContact C-N 3.27Å; R796-H798 PolarHBondContact O-N 3.36Å; R796-H798 VanDerWaalsContact O-N 3.14Å |
| 799 | T | 70.2 | Confident | 63.8 | Low | 60 Ų | 60 | 74.6 Ų | 74.6 | 37% | 0.368 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -81.8 | 141.5 | 178.8 | 53.5 | 0 | 0 | 0 | 0 | 111.1 | R796 V801 Y802 K803 | R796-T799 PolarHBondContact O-OG1 3.47Å; T799-V801 PolarHBondContact O-N 3.04Å; T799-V801 VanDerWaalsContact O-N 3.15Å; T799-Y802 PolarHBondContact O-N 3.16Å; T799-Y802 WeakPolarHBondContact OG1-CD2 3.49Å; T799-Y802 WeakPolarHBondContact OG1-CE2 3.34Å; T799-K803 PolarHBondContact O-N 3.21Å |
| 800 | L | 77.7 | Confident | 65.6 | Low | 25 Ų | 25 | 80.5 Ų | 80.5 | 13% | 0.131 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -53.5 | -35.4 | -174.9 | -176 | 65.3 | 0 | 0 | 0 | 114 | L219 E222 L223 F226 K803 L804 | L219-L800 HydrophobicContact CD1-CD1 3.85Å; E222-L800 HydrophobicContact CB-CD1 3.36Å; E222-L800 HydrophobicContact CB-CD2 4.28Å; E222-L800 HydrophobicContact CB-CG 4.47Å; E222-L800 HydrophobicContact CG-CD1 4.31Å; E222-L800 WeakPolarHBondContact O-CD2 3.47Å; E222-L800 WeakPolarHBondContact OE2-CD1 3.47Å; L223-L800 HydrophobicContact CB-CD2 4.42Å; L223-L800 HydrophobicContact CD2-CD1 4.45Å; L223-L800 HydrophobicContact CD2-CD2 3.62Å; L223-L800 HydrophobicContact CD2-CG 3.7Å; L223-L800 HydrophobicContact CG-CD1 4.32Å; L223-L800 HydrophobicContact CG-CD2 4Å; L223-L800 HydrophobicContact CG-CG 4.08Å; F226-L800 HydrophobicContact CB-CD2 3.52Å; F226-L800 HydrophobicContact CG-CD2 3.99Å; L800-K803 PolarHBondContact O-N 3.24Å; L800-L804 PolarHBondContact O-N 3.35Å; L800-L804 VanDerWaalsContact O-N 3.1Å |
| 801 | V | 78.6 | Confident | 68.1 | Low | 24 Ų | 24 | 77 Ų | 77 | 15% | 0.145 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66 | -37.8 | 179.1 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | P788 T799 L804 A805 V832 L876 | P788-V801 HydrophobicContact CG-CG1 3.96Å; T799-V801 PolarHBondContact O-N 3.04Å; T799-V801 VanDerWaalsContact O-N 3.15Å; V801-L804 PolarHBondContact O-N 3.37Å; V801-A805 WeakPolarHBondContact O-CB 3.27Å; V801-A805 PolarHBondContact O-N 2.76Å; V801-V832 HydrophobicContact CG1-CG2 3.97Å; V801-L876 HydrophobicContact CG1-CD1 4.12Å |
| 802 | Y | 79.9 | Confident | 70.6 | Confident | 37 Ų | 37 | 74.2 Ų | 74.2 | 15% | 0.145 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -70.1 | -38.4 | 176.6 | -76.6 | -101.2 | 0 | 0 | 0 | 111.7 | T799 L804 A805 A806 L876 D879 | T799-Y802 PolarHBondContact O-N 3.16Å; T799-Y802 WeakPolarHBondContact OG1-CD2 3.49Å; T799-Y802 WeakPolarHBondContact OG1-CE2 3.34Å; Y802-L804 VanDerWaalsContact C-N 3.26Å; Y802-L804 PolarHBondContact O-N 2.99Å; Y802-A805 PolarHBondContact O-N 3.45Å; Y802-A806 WeakPolarHBondContact O-CB 3.21Å; Y802-A806 PolarHBondContact O-N 2.79Å; Y802-L876 HydrophobicContact CD1-CD1 4.1Å; Y802-L876 HydrophobicContact CD2-CD1 4.12Å; Y802-L876 HydrophobicContact CE1-CD1 4.06Å; Y802-L876 HydrophobicContact CE2-CD1 4.18Å; Y802-L876 HydrophobicContact CG-CD1 4.18Å; Y802-D879 HydrophobicContact CD1-CB 4.41Å; Y802-D879 HydrophobicContact CE1-CB 3.55Å; Y802-D879 PolarHBondContact OH-OD2 3.49Å |
| 803 | K | 82.6 | Confident | 73 | Confident | 100 Ų | 100 | 66.3 Ų | 66.3 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.1 | -42.5 | 172.6 | -64.2 | -175.1 | -173.1 | 173.9 | 0 | 111.3 | L219 E222 T799 L800 A807 | L219-K803 HydrophobicContact CD1-CB 4.16Å; E222-K803 IonicContact OE1-NZ 3.49Å; E222-K803 PolarHBondContact OE1-NZ 3.38Å; E222-K803 IonicContact OE2-NZ 2.78Å; E222-K803 PolarHBondContact OE2-NZ 3.37Å; T799-K803 PolarHBondContact O-N 3.21Å; L800-K803 PolarHBondContact O-N 3.24Å; K803-A807 PolarHBondContact O-N 3.11Å; K803-A807 VanDerWaalsContact O-N 3.16Å |
| 804 | L | 86.9 | Confident | 75.4 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.5 | -44.3 | 177.1 | 176.3 | 60.2 | 0 | 0 | 0 | 111.8 | L219 L223 L800 V801 Y802 A806 A807 L808 V816 W820 A829 V832 | L219-L804 HydrophobicContact CD2-CB 4.36Å; L219-L804 HydrophobicContact CD2-CD1 3.91Å; L223-L804 HydrophobicContact CD1-CD1 4.17Å; L223-L804 HydrophobicContact CD1-CD2 3.83Å; L223-L804 HydrophobicContact CD1-CG 4.43Å; L223-L804 HydrophobicContact CD2-CD2 3.98Å; L800-L804 PolarHBondContact O-N 3.35Å; L800-L804 VanDerWaalsContact O-N 3.1Å; V801-L804 PolarHBondContact O-N 3.37Å; Y802-L804 VanDerWaalsContact C-N 3.26Å; Y802-L804 PolarHBondContact O-N 2.99Å; L804-A806 PolarHBondContact O-N 3.42Å; L804-A807 WeakPolarHBondContact O-CB 3.29Å; L804-A807 PolarHBondContact O-N 2.9Å; L804-L808 HydrophobicContact CD1-CD1 3.95Å; L804-L808 HydrophobicContact CD1-CG 4.2Å; L804-L808 HydrophobicContact CG-CD1 3.97Å; L804-L808 WeakPolarHBondContact O-CG 3.09Å; L804-L808 PolarHBondContact O-N 3.47Å; L804-V816 HydrophobicContact CD1-CG1 4.3Å; L804-W820 HydrophobicContact CD1-CH2 4.14Å; L804-A829 HydrophobicContact CD1-CB 3.98Å; L804-A829 HydrophobicContact CD2-CB 4.24Å; L804-V832 HydrophobicContact CD2-CB 4.04Å; L804-V832 HydrophobicContact CD2-CG1 4.5Å; L804-V832 HydrophobicContact CD2-CG2 3.75Å; L804-V832 HydrophobicContact CG-CB 4.37Å; L804-V832 HydrophobicContact CG-CG1 4.35Å; L804-V832 HydrophobicContact CG-CG2 4.45Å |
| 805 | A | 86.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | V801 Y802 A807 L808 E809 V832 L876 L880 | V801-A805 WeakPolarHBondContact O-CB 3.27Å; V801-A805 PolarHBondContact O-N 2.76Å; Y802-A805 PolarHBondContact O-N 3.45Å; A805-A807 PolarHBondContact O-N 3.22Å; A805-L808 PolarHBondContact O-N 2.94Å; A805-L808 VanDerWaalsContact O-N 3.16Å; A805-E809 PolarHBondContact O-N 3.22Å; A805-V832 HydrophobicContact CB-CG1 4.09Å; A805-L876 HydrophobicContact CB-CD1 4.34Å; A805-L876 HydrophobicContact CB-CD2 3.51Å; A805-L876 HydrophobicContact CB-CG 3.78Å; A805-L880 HydrophobicContact CB-CD1 4Å |
| 806 | A | 84.5 | Confident | 79.6 | Confident | 31 Ų | 31 | 66.2 Ų | 66.2 | 26% | 0.256 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.3 | -35.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y802 L804 K810 L880 | Y802-A806 WeakPolarHBondContact O-CB 3.21Å; Y802-A806 PolarHBondContact O-N 2.79Å; L804-A806 PolarHBondContact O-N 3.42Å; A806-K810 WeakPolarHBondContact O-CG 3.5Å; A806-L880 HydrophobicContact CB-CD2 3.59Å |
| 807 | A | 87.2 | Confident | 81.4 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 12% | 0.116 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.3 | -42.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F216 L219 K803 L804 A805 K810 H811 V816 | F216-A807 HydrophobicContact CD1-CB 4.39Å; F216-A807 HydrophobicContact CE1-CB 3.9Å; L219-A807 HydrophobicContact CD2-CB 4.44Å; K803-A807 PolarHBondContact O-N 3.11Å; K803-A807 VanDerWaalsContact O-N 3.16Å; L804-A807 WeakPolarHBondContact O-CB 3.29Å; L804-A807 PolarHBondContact O-N 2.9Å; A805-A807 PolarHBondContact O-N 3.22Å; A807-K810 PolarHBondContact O-N 2.84Å; A807-H811 WeakPolarHBondContact O-CB 3.43Å; A807-H811 PolarHBondContact O-N 3.49Å; A807-V816 HydrophobicContact CB-CG2 4.41Å |
| 808 | L | 89.1 | Confident | 83.5 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 9% | 0.094 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.1 | -25.8 | 180 | -69.5 | 168.4 | 0 | 0 | 0 | 113.4 | L804 A805 K810 H811 L813 V816 V832 E833 L836 | L804-L808 HydrophobicContact CD1-CD1 3.95Å; L804-L808 HydrophobicContact CD1-CG 4.2Å; L804-L808 HydrophobicContact CG-CD1 3.97Å; L804-L808 WeakPolarHBondContact O-CG 3.09Å; L804-L808 PolarHBondContact O-N 3.47Å; A805-L808 PolarHBondContact O-N 2.94Å; A805-L808 VanDerWaalsContact O-N 3.16Å; L808-K810 VanDerWaalsContact C-N 3.34Å; L808-H811 CarbonylContact C-O 3.47Å; L808-H811 WeakPolarHBondContact CA-O 3.19Å; L808-L813 HydrophobicContact CD2-CB 4.13Å; L808-L813 HydrophobicContact CD2-CD1 3.84Å; L808-V816 HydrophobicContact CD2-CB 4.16Å; L808-V816 HydrophobicContact CD2-CG1 4.43Å; L808-V816 HydrophobicContact CD2-CG2 3.94Å; L808-V832 HydrophobicContact CD1-CB 4.09Å; L808-V832 HydrophobicContact CD1-CG1 3.87Å; L808-E833 HydrophobicContact CD1-CB 4.21Å; L808-L836 HydrophobicContact CB-CD1 3.94Å |
| 809 | E | 88.3 | Confident | 85.1 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 34% | 0.341 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.8 | -31.7 | 169.9 | -79 | -64.3 | 151.5 | 0 | 0 | 112.2 | A805 L836 R840 L880 | A805-E809 PolarHBondContact O-N 3.22Å; E809-L836 HydrophobicContact CG-CD1 4.42Å; E809-R840 IonicContact OE1-CZ 3.35Å; E809-R840 IonicContact OE1-NE 2.93Å; E809-R840 IonicContact OE1-NH2 3.67Å; E809-R840 PolarHBondContact OE1-NH2 3.32Å; E809-R840 IonicContact OE2-NH2 3.67Å; E809-R840 PolarHBondContact OE2-NH2 3.04Å; E809-L880 HydrophobicContact CG-CD1 3.91Å |
| 810 | K | 86.4 | Confident | 86 | Confident | 168 Ų | 168 | 55.4 Ų | 55.4 | 73% | 0.73 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -93 | -22.2 | -177.8 | -67.8 | 178.6 | -177.8 | 178.8 | 0 | 113.8 | A806 A807 L808 | A806-K810 WeakPolarHBondContact O-CG 3.5Å; A807-K810 PolarHBondContact O-N 2.84Å; L808-K810 VanDerWaalsContact C-N 3.34Å |
| 811 | H | 89.1 | Confident | 86.5 | Confident | 71 Ų | 71 | 59.7 Ų | 59.7 | 33% | 0.329 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -143.1 | 147.4 | -171.8 | -59.5 | -53.9 | 0 | 0 | 0 | 111 | F216 A807 L808 K815 V816 | F216-H811 HydrophobicContact CZ-CB 4.33Å; F216-H811 AromaticContact CZ-CD2 3.54Å; A807-H811 WeakPolarHBondContact O-CB 3.43Å; A807-H811 PolarHBondContact O-N 3.49Å; L808-H811 CarbonylContact C-O 3.47Å; L808-H811 WeakPolarHBondContact CA-O 3.19Å; H811-K815 HydrophobicContact CB-CD 4.23Å; H811-V816 HydrophobicContact CB-CG2 3.94Å |
| 812 | S | 89.1 | Confident | 86.8 | Confident | 73 Ų | 73 | 59.5 Ų | 59.5 | 51% | 0.51 | 31% | 0.309 | S | S | . | . | trans | -63.4 | 150.6 | 175 | 61.4 | 0 | 0 | 0 | 0 | 111.5 | Q814 K815 V816 | S812-Q814 PolarHBondContact O-N 3.35Å; S812-K815 WeakPolarHBondContact O-CA 3.47Å; S812-K815 WeakPolarHBondContact O-CB 3.26Å; S812-K815 PolarHBondContact O-N 3.18Å; S812-K815 WeakPolarHBondContact OG-CB 3.35Å; S812-K815 PolarHBondContact OG-N 3.33Å; S812-V816 PolarHBondContact O-N 3.48Å | ||
| 813 | L | 89.1 | Confident | 87.1 | Confident | 23 Ų | 23 | 63.8 Ų | 63.8 | 12% | 0.12 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -50.7 | -46.1 | 175.7 | 176.2 | 74.6 | 0 | 0 | 0 | 111.9 | L808 K815 V816 T817 A829 E830 E833 | L808-L813 HydrophobicContact CD2-CB 4.13Å; L808-L813 HydrophobicContact CD2-CD1 3.84Å; L813-K815 PolarHBondContact O-N 2.89Å; L813-V816 WeakPolarHBondContact O-CA 3.08Å; L813-V816 PolarHBondContact O-N 3.1Å; L813-T817 HydrophobicContact CD1-CG2 3.75Å; L813-T817 HydrophobicContact CG-CG2 4.3Å; L813-T817 PolarHBondContact O-N 2.87Å; L813-T817 PolarHBondContact O-OG1 2.91Å; L813-A829 HydrophobicContact CD1-CB 3.75Å; L813-E830 HydrophobicContact CD2-CG 3.73Å; L813-E833 WeakPolarHBondContact CB-OE2 3.46Å; L813-E833 WeakPolarHBondContact CD2-OE2 3.08Å; L813-E833 WeakPolarHBondContact CG-OE2 3.31Å |
| 814 | Q | 89.1 | Confident | 87.2 | Confident | 159 Ų | 159 | 60.8 Ų | 60.8 | 74% | 0.743 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -56.7 | -36.9 | 178.4 | -71.3 | 178.6 | -8.7 | 0 | 0 | 112.7 | S812 S818 | S812-Q814 PolarHBondContact O-N 3.35Å; Q814-S818 WeakPolarHBondContact O-CA 3.45Å; Q814-S818 VanDerWaalsContact O-CB 3.3Å; Q814-S818 WeakPolarHBondContact O-CB 3.44Å; Q814-S818 PolarHBondContact O-N 3.34Å |
| 815 | K | 87.4 | Confident | 87.2 | Confident | 119 Ų | 119 | 60.8 Ų | 60.8 | 52% | 0.517 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -75 | -32.7 | 176.9 | -176 | 173.9 | 178.7 | 178.7 | 0 | 111.9 | F216 H811 S812 L813 | F216-K815 WeakPolarHBondContact CD2-O 3.45Å; F216-K815 HydrophobicContact CE2-CG 4.43Å; F216-K815 VanDerWaalsContact CE2-O 3.29Å; F216-K815 WeakPolarHBondContact CE2-O 3.34Å; H811-K815 HydrophobicContact CB-CD 4.23Å; S812-K815 WeakPolarHBondContact O-CA 3.47Å; S812-K815 WeakPolarHBondContact O-CB 3.26Å; S812-K815 PolarHBondContact O-N 3.18Å; S812-K815 WeakPolarHBondContact OG-CB 3.35Å; S812-K815 PolarHBondContact OG-N 3.33Å; L813-K815 PolarHBondContact O-N 2.89Å |
| 816 | V | 87.5 | Confident | 87.3 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.1 | -38.2 | 176.4 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | F216 L804 A807 L808 H811 S812 L813 W820 | F216-V816 HydrophobicContact CB-CG1 4.37Å; F216-V816 WeakPolarHBondContact CB-O 3.48Å; F216-V816 HydrophobicContact CD1-CG1 3.97Å; F216-V816 HydrophobicContact CD1-CG2 4.42Å; F216-V816 VanDerWaalsContact CD2-CA 3.48Å; F216-V816 HydrophobicContact CD2-CB 4.39Å; F216-V816 HydrophobicContact CD2-CG1 4.49Å; F216-V816 WeakPolarHBondContact CD2-O 3.37Å; F216-V816 HydrophobicContact CE1-CG1 4.39Å; F216-V816 HydrophobicContact CE1-CG2 4.03Å; F216-V816 HydrophobicContact CE2-CB 4.45Å; F216-V816 HydrophobicContact CE2-CG2 4.21Å; F216-V816 HydrophobicContact CG-CB 4.42Å; F216-V816 HydrophobicContact CG-CG1 4.03Å; F216-V816 WeakPolarHBondContact CG-O 3.26Å; F216-V816 HydrophobicContact CZ-CG2 3.91Å; L804-V816 HydrophobicContact CD1-CG1 4.3Å; A807-V816 HydrophobicContact CB-CG2 4.41Å; L808-V816 HydrophobicContact CD2-CB 4.16Å; L808-V816 HydrophobicContact CD2-CG1 4.43Å; L808-V816 HydrophobicContact CD2-CG2 3.94Å; H811-V816 HydrophobicContact CB-CG2 3.94Å; S812-V816 PolarHBondContact O-N 3.48Å; L813-V816 WeakPolarHBondContact O-CA 3.08Å; L813-V816 PolarHBondContact O-N 3.1Å; V816-W820 HydrophobicContact CG1-CH2 4.13Å; V816-W820 HydrophobicContact CG1-CZ2 3.85Å; V816-W820 VanDerWaalsContact O-CE2 3.31Å; V816-W820 PolarHBondContact O-NE1 3.33Å |
| 817 | T | 89.8 | Confident | 87.5 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -104.5 | 2.1 | -171.7 | 62.4 | 0 | 0 | 0 | 0 | 114.9 | L813 D819 W820 A829 | L813-T817 HydrophobicContact CD1-CG2 3.75Å; L813-T817 HydrophobicContact CG-CG2 4.3Å; L813-T817 PolarHBondContact O-N 2.87Å; L813-T817 PolarHBondContact O-OG1 2.91Å; T817-D819 PolarHBondContact O-N 3.38Å; T817-D819 VanDerWaalsContact O-N 3.08Å; T817-W820 HydrophobicContact CG2-CD2 4.11Å; T817-W820 HydrophobicContact CG2-CE3 3.77Å; T817-W820 HydrophobicContact CG2-CH2 4.39Å; T817-W820 HydrophobicContact CG2-CZ3 3.92Å; T817-W820 WeakPolarHBondContact O-CB 3.4Å; T817-W820 PolarHBondContact O-N 3.41Å; T817-A829 HydrophobicContact CG2-CB 3.9Å |
| 818 | S | 84.1 | Confident | 87.6 | Confident | 79 Ų | 79 | 62.2 Ų | 62.2 | 55% | 0.552 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -36.7 | -172.5 | 63.7 | 0 | 0 | 0 | 0 | 114.2 | Q814 | Q814-S818 WeakPolarHBondContact O-CA 3.45Å; Q814-S818 VanDerWaalsContact O-CB 3.3Å; Q814-S818 WeakPolarHBondContact O-CB 3.44Å; Q814-S818 PolarHBondContact O-N 3.34Å |
| 819 | D | 84.5 | Confident | 87.6 | Confident | 103 Ų | 103 | 61.4 Ų | 61.4 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 9.8 | -173.3 | -53.7 | -17.4 | 0 | 0 | 0 | 112.1 | T817 | T817-D819 PolarHBondContact O-N 3.38Å; T817-D819 VanDerWaalsContact O-N 3.08Å |
| 820 | W | 89.8 | Confident | 87.8 | Confident | 20 Ų | 20 | 60.2 Ų | 60.2 | 8% | 0.076 | 31% | 0.306 | C | S | . | . | trans | -85.1 | 136.7 | -175 | -67.8 | 12.7 | 0 | 0 | 0 | 111.6 | F216 L219 E220 L223 L804 V816 T817 A825 V826 A829 | F216-W820 HydrophobicContact CB-CZ2 4.04Å; F216-W820 PolarHBondContact O-NE1 3.17Å; L219-W820 HydrophobicContact CB-CZ2 4.4Å; L219-W820 HydrophobicContact CD2-CH2 4.5Å; L219-W820 HydrophobicContact CD2-CZ2 4.27Å; L219-W820 HydrophobicContact CG-CZ2 4.32Å; E220-W820 HydrophobicContact CB-CD2 3.78Å; E220-W820 HydrophobicContact CB-CE3 4.4Å; E220-W820 HydrophobicContact CB-CG 3.89Å; E220-W820 HydrophobicContact CB-CZ2 4.3Å; E220-W820 HydrophobicContact CG-CB 3.99Å; E220-W820 HydrophobicContact CG-CD2 3.74Å; E220-W820 HydrophobicContact CG-CE3 4.15Å; E220-W820 HydrophobicContact CG-CG 3.65Å; E220-W820 WeakPolarHBondContact OE2-CA 3.28Å; L223-W820 HydrophobicContact CD1-CH2 3.47Å; L223-W820 VanDerWaalsContact CD1-CH2 3.47Å; L223-W820 HydrophobicContact CD1-CZ2 4.41Å; L223-W820 HydrophobicContact CD1-CZ3 3.87Å; L804-W820 HydrophobicContact CD1-CH2 4.14Å; V816-W820 HydrophobicContact CG1-CH2 4.13Å; V816-W820 HydrophobicContact CG1-CZ2 3.85Å; V816-W820 VanDerWaalsContact O-CE2 3.31Å; V816-W820 PolarHBondContact O-NE1 3.33Å; T817-W820 HydrophobicContact CG2-CD2 4.11Å; T817-W820 HydrophobicContact CG2-CE3 3.77Å; T817-W820 HydrophobicContact CG2-CH2 4.39Å; T817-W820 HydrophobicContact CG2-CZ3 3.92Å; T817-W820 WeakPolarHBondContact O-CB 3.4Å; T817-W820 PolarHBondContact O-N 3.41Å; W820-A825 HydrophobicContact CE3-CB 3.84Å; W820-A825 HydrophobicContact CZ3-CB 3.97Å; W820-A825 WeakPolarHBondContact CZ3-O 3.34Å; W820-V826 HydrophobicContact CB-CG2 3.84Å; W820-V826 HydrophobicContact CE3-CG2 3.99Å; W820-A829 HydrophobicContact CH2-CB 4.06Å; W820-A829 HydrophobicContact CZ3-CB 3.7Å | ||
| 821 | T | 86.9 | Confident | 88 | Confident | 116 Ų | 116 | 52.2 Ų | 52.2 | 71% | 0.712 | 27% | 0.271 | S | S | * | . | trans | -107.3 | -26.3 | -178.9 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | E220 | E220-T821 PolarHBondContact OE1-N 3.31Å; E220-T821 PolarHBondContact OE1-OG1 3Å | ||
| 822 | D | 85.2 | Confident | 88 | Confident | 20 Ų | 20 | 49 Ų | 49 | 11% | 0.107 | 26% | 0.256 | C | S | . | . | trans | -88.1 | 110.9 | -180 | -163.5 | -61.5 | 0 | 0 | 0 | 111.9 | E220 R224 R824 A825 V826 | E220-D822 PolarHBondContact OE1-N 3.29Å; R224-D822 HydrophobicContact CB-CB 4.48Å; R224-D822 WeakPolarHBondContact CD-OD2 3.31Å; R224-D822 HydrophobicContact CG-CB 4.41Å; R224-D822 WeakPolarHBondContact CG-OD2 3.47Å; D822-R824 PolarHBondContact O-N 3.4Å; D822-R824 VanDerWaalsContact O-N 3.11Å; D822-R824 VanDerWaalsContact OD1-CB 3.24Å; D822-R824 WeakPolarHBondContact OD1-CB 3.4Å; D822-R824 IonicContact OD1-CZ 3.82Å; D822-R824 PolarHBondContact OD1-N 3.21Å; D822-R824 IonicContact OD1-NE 3.56Å; D822-R824 PolarHBondContact OD1-NE 3.39Å; D822-R824 IonicContact OD1-NH2 2.73Å; D822-R824 IonicContact OD2-CZ 3.65Å; D822-R824 IonicContact OD2-NE 3.45Å; D822-R824 IonicContact OD2-NH2 3.47Å; D822-R824 PolarHBondContact OD2-NH2 3.26Å; D822-A825 HydrophobicContact CB-CB 4.33Å; D822-A825 PolarHBondContact O-N 2.94Å; D822-A825 VanDerWaalsContact O-N 3.1Å; D822-V826 PolarHBondContact O-N 3.23Å; D822-V826 VanDerWaalsContact O-N 3.14Å | ||
| 823 | Q | 86.2 | Confident | 88.1 | Confident | 126 Ų | 126 | 47.2 Ų | 47.2 | 59% | 0.589 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -59.8 | -23.2 | -179.1 | -68.1 | -63.2 | -36.8 | 0 | 0 | 114.1 | R827 | Q823-R827 WeakPolarHBondContact O-CB 3.35Å; Q823-R827 PolarHBondContact O-N 2.9Å |
| 824 | R | 84.1 | Confident | 88.2 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 14% | 0.143 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -77.1 | -38.9 | 177.4 | -59.6 | 166.6 | -69.2 | -161.2 | -6.4 | 111.2 | A227 E231 D822 V826 R827 L828 | A227-R824 HydrophobicContact CB-CB 4.15Å; E231-R824 IonicContact OE2-NH1 2.88Å; D822-R824 PolarHBondContact O-N 3.4Å; D822-R824 VanDerWaalsContact O-N 3.11Å; D822-R824 VanDerWaalsContact OD1-CB 3.24Å; D822-R824 WeakPolarHBondContact OD1-CB 3.4Å; D822-R824 IonicContact OD1-CZ 3.82Å; D822-R824 PolarHBondContact OD1-N 3.21Å; D822-R824 IonicContact OD1-NE 3.56Å; D822-R824 PolarHBondContact OD1-NE 3.39Å; D822-R824 IonicContact OD1-NH2 2.73Å; D822-R824 IonicContact OD2-CZ 3.65Å; D822-R824 IonicContact OD2-NE 3.45Å; D822-R824 IonicContact OD2-NH2 3.47Å; D822-R824 PolarHBondContact OD2-NH2 3.26Å; R824-V826 VanDerWaalsContact C-N 3.34Å; R824-R827 PolarHBondContact O-N 2.79Å; R824-L828 WeakPolarHBondContact O-CG 3.23Å; R824-L828 PolarHBondContact O-N 3.43Å |
| 825 | A | 87.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.6 | -46.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | E220 L223 W820 D822 R827 L828 A829 | E220-A825 HydrophobicContact CG-CB 3.83Å; L223-A825 HydrophobicContact CB-CB 3.97Å; W820-A825 HydrophobicContact CE3-CB 3.84Å; W820-A825 HydrophobicContact CZ3-CB 3.97Å; W820-A825 WeakPolarHBondContact CZ3-O 3.34Å; D822-A825 HydrophobicContact CB-CB 4.33Å; D822-A825 PolarHBondContact O-N 2.94Å; D822-A825 VanDerWaalsContact O-N 3.1Å; A825-R827 PolarHBondContact O-N 2.98Å; A825-L828 PolarHBondContact O-N 3.39Å; A825-A829 PolarHBondContact O-N 3.43Å |
| 826 | V | 89.5 | Confident | 88.3 | Confident | 22 Ų | 22 | 33.5 Ų | 33.5 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56 | -48.6 | 175.4 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | W820 D822 R824 L828 A829 E830 | W820-V826 HydrophobicContact CB-CG2 3.84Å; W820-V826 HydrophobicContact CE3-CG2 3.99Å; D822-V826 PolarHBondContact O-N 3.23Å; D822-V826 VanDerWaalsContact O-N 3.14Å; R824-V826 VanDerWaalsContact C-N 3.34Å; V826-L828 VanDerWaalsContact C-N 3.35Å; V826-L828 PolarHBondContact O-N 2.93Å; V826-A829 WeakPolarHBondContact O-CA 3.23Å; V826-A829 WeakPolarHBondContact O-CB 3.45Å; V826-A829 PolarHBondContact O-N 3.42Å; V826-A829 VanDerWaalsContact O-N 3.08Å; V826-E830 PolarHBondContact O-N 3.35Å |
| 827 | R | 88.4 | Confident | 88.4 | Confident | 37 Ų | 37 | 38 Ų | 38 | 14% | 0.14 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -40.7 | 178.1 | -170.5 | 177.4 | -59.7 | 126.9 | 6.4 | 113.1 | Q823 R824 A825 A829 E830 D831 | Q823-R827 WeakPolarHBondContact O-CB 3.35Å; Q823-R827 PolarHBondContact O-N 2.9Å; R824-R827 PolarHBondContact O-N 2.79Å; A825-R827 PolarHBondContact O-N 2.98Å; R827-A829 VanDerWaalsContact C-N 3.31Å; R827-A829 PolarHBondContact O-N 3.03Å; R827-E830 PolarHBondContact O-N 3.36Å; R827-D831 WeakPolarHBondContact O-CB 3.48Å; R827-D831 VanDerWaalsContact O-CG 3.22Å; R827-D831 PolarHBondContact O-N 3.19Å |
| 828 | L | 88.4 | Confident | 88.3 | Confident | 17 Ų | 17 | 37.8 Ų | 37.8 | 9% | 0.089 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.5 | -36.4 | 174.8 | -74.3 | 174.6 | 0 | 0 | 0 | 112 | L223 F226 A227 R824 A825 V826 D831 V832 | L223-L828 HydrophobicContact CD2-CB 4.47Å; L223-L828 HydrophobicContact CD2-CD1 4.24Å; F226-L828 HydrophobicContact CD1-CD1 4.15Å; A227-L828 HydrophobicContact CB-CD1 3.94Å; R824-L828 WeakPolarHBondContact O-CG 3.23Å; R824-L828 PolarHBondContact O-N 3.43Å; A825-L828 PolarHBondContact O-N 3.39Å; V826-L828 VanDerWaalsContact C-N 3.35Å; V826-L828 PolarHBondContact O-N 2.93Å; L828-D831 PolarHBondContact O-N 2.99Å; L828-V832 WeakPolarHBondContact O-CG2 3.46Å; L828-V832 PolarHBondContact O-N 3.41Å |
| 829 | A | 90.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.6 | -43.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L804 L813 T817 W820 A825 V826 R827 D831 V832 E833 | L804-A829 HydrophobicContact CD1-CB 3.98Å; L804-A829 HydrophobicContact CD2-CB 4.24Å; L813-A829 HydrophobicContact CD1-CB 3.75Å; T817-A829 HydrophobicContact CG2-CB 3.9Å; W820-A829 HydrophobicContact CH2-CB 4.06Å; W820-A829 HydrophobicContact CZ3-CB 3.7Å; A825-A829 PolarHBondContact O-N 3.43Å; V826-A829 WeakPolarHBondContact O-CA 3.23Å; V826-A829 WeakPolarHBondContact O-CB 3.45Å; V826-A829 PolarHBondContact O-N 3.42Å; V826-A829 VanDerWaalsContact O-N 3.08Å; R827-A829 VanDerWaalsContact C-N 3.31Å; R827-A829 PolarHBondContact O-N 3.03Å; A829-D831 VanDerWaalsContact C-N 3.33Å; A829-D831 PolarHBondContact O-N 2.95Å; A829-V832 PolarHBondContact O-N 3.26Å; A829-E833 PolarHBondContact O-N 2.93Å |
| 830 | E | 91.3 | Very high | 88.5 | Confident | 48 Ų | 48 | 36.3 Ų | 36.3 | 22% | 0.224 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -40.9 | 173.7 | -70.7 | -174.5 | 130 | 0 | 0 | 112.3 | K558 L813 V826 R827 E833 T834 | K558-E830 IonicContact NZ-OE1 2.77Å; L813-E830 HydrophobicContact CD2-CG 3.73Å; V826-E830 PolarHBondContact O-N 3.35Å; R827-E830 PolarHBondContact O-N 3.36Å; E830-E833 PolarHBondContact O-N 2.94Å; E830-T834 WeakPolarHBondContact O-CB 3.1Å; E830-T834 PolarHBondContact O-N 2.94Å; E830-T834 PolarHBondContact O-OG1 3.37Å |
| 831 | D | 91.1 | Very high | 88 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.5 | -43.8 | 177.8 | -72.1 | -19.2 | 0 | 0 | 0 | 111.6 | L557 Y781 L787 R827 L828 A829 T834 L835 | L557-D831 HydrophobicContact CB-CB 4.19Å; L557-D831 VanDerWaalsContact CB-OD1 3.3Å; L557-D831 WeakPolarHBondContact CB-OD1 3.3Å; L557-D831 PolarHBondContact N-OD1 3.33Å; Y781-D831 WeakPolarHBondContact CE1-OD2 3.29Å; Y781-D831 VanDerWaalsContact OH-CG 3.26Å; Y781-D831 PolarHBondContact OH-OD1 3.14Å; Y781-D831 PolarHBondContact OH-OD2 2.84Å; L787-D831 HydrophobicContact CD1-CB 4.18Å; L787-D831 HydrophobicContact CD2-CB 3.83Å; R827-D831 WeakPolarHBondContact O-CB 3.48Å; R827-D831 VanDerWaalsContact O-CG 3.22Å; R827-D831 PolarHBondContact O-N 3.19Å; L828-D831 PolarHBondContact O-N 2.99Å; A829-D831 VanDerWaalsContact C-N 3.33Å; A829-D831 PolarHBondContact O-N 2.95Å; D831-T834 PolarHBondContact O-N 3.46Å; D831-L835 WeakPolarHBondContact O-CG 3.23Å; D831-L835 PolarHBondContact O-N 3.06Å |
| 832 | V | 90.1 | Very high | 87.3 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.4 | -41.6 | 176.8 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | L787 V801 L804 A805 L808 L828 A829 T834 L835 L836 L876 | L787-V832 HydrophobicContact CD2-CG2 4.49Å; V801-V832 HydrophobicContact CG1-CG2 3.97Å; L804-V832 HydrophobicContact CD2-CB 4.04Å; L804-V832 HydrophobicContact CD2-CG1 4.5Å; L804-V832 HydrophobicContact CD2-CG2 3.75Å; L804-V832 HydrophobicContact CG-CB 4.37Å; L804-V832 HydrophobicContact CG-CG1 4.35Å; L804-V832 HydrophobicContact CG-CG2 4.45Å; A805-V832 HydrophobicContact CB-CG1 4.09Å; L808-V832 HydrophobicContact CD1-CB 4.09Å; L808-V832 HydrophobicContact CD1-CG1 3.87Å; L828-V832 WeakPolarHBondContact O-CG2 3.46Å; L828-V832 PolarHBondContact O-N 3.41Å; A829-V832 PolarHBondContact O-N 3.26Å; V832-T834 VanDerWaalsContact C-N 3.31Å; V832-T834 PolarHBondContact O-N 3.13Å; V832-L835 WeakPolarHBondContact O-CB 3.49Å; V832-L835 PolarHBondContact O-N 3.35Å; V832-L836 HydrophobicContact CG1-CD1 4.43Å; V832-L836 WeakPolarHBondContact O-CG 3.45Å; V832-L836 PolarHBondContact O-N 3.02Å; V832-L876 HydrophobicContact CG1-CD2 4.09Å |
| 833 | E | 91.3 | Very high | 86.6 | Confident | 36 Ų | 36 | 35.5 Ų | 35.5 | 17% | 0.168 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 174.1 | -171.2 | -175.1 | -164.3 | 0 | 0 | 111.1 | L808 L813 A829 E830 L835 L836 R837 | L808-E833 HydrophobicContact CD1-CB 4.21Å; L813-E833 WeakPolarHBondContact CB-OE2 3.46Å; L813-E833 WeakPolarHBondContact CD2-OE2 3.08Å; L813-E833 WeakPolarHBondContact CG-OE2 3.31Å; A829-E833 PolarHBondContact O-N 2.93Å; E830-E833 PolarHBondContact O-N 2.94Å; E833-L835 VanDerWaalsContact C-N 3.31Å; E833-L835 PolarHBondContact O-N 2.98Å; E833-L836 PolarHBondContact O-N 2.72Å; E833-L836 VanDerWaalsContact O-N 3.14Å; E833-R837 WeakPolarHBondContact O-CG 3.49Å; E833-R837 PolarHBondContact O-N 3.32Å; E833-R837 IonicContact OE1-CZ 3.16Å; E833-R837 IonicContact OE1-NE 2.7Å; E833-R837 PolarHBondContact OE1-NE 3.18Å; E833-R837 IonicContact OE1-NH2 2.82Å; E833-R837 PolarHBondContact OE1-NH2 2.93Å; E833-R837 IonicContact OE2-NH2 3.91Å |
| 834 | T | 90.9 | Very high | 85.8 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 177.6 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | L557 V561 E830 D831 V832 R837 L838 | L557-T834 HydrophobicContact CD2-CG2 4.2Å; L557-T834 HydrophobicContact CG-CG2 4.03Å; V561-T834 HydrophobicContact CB-CG2 4.2Å; V561-T834 HydrophobicContact CG1-CG2 4.4Å; V561-T834 HydrophobicContact CG2-CG2 4.12Å; E830-T834 WeakPolarHBondContact O-CB 3.1Å; E830-T834 PolarHBondContact O-N 2.94Å; E830-T834 PolarHBondContact O-OG1 3.37Å; D831-T834 PolarHBondContact O-N 3.46Å; V832-T834 VanDerWaalsContact C-N 3.31Å; V832-T834 PolarHBondContact O-N 3.13Å; T834-R837 PolarHBondContact O-N 2.86Å; T834-L838 HydrophobicContact CG2-CD1 4.46Å; T834-L838 WeakPolarHBondContact O-CG 3.48Å; T834-L838 PolarHBondContact O-N 2.89Å |
| 835 | L | 89.3 | Confident | 85.1 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 173.6 | -74.6 | 173.1 | 0 | 0 | 0 | 112.7 | L557 L787 P788 D831 V832 E833 L838 S839 L869 | L557-L835 HydrophobicContact CD2-CD1 4.43Å; L557-L835 HydrophobicContact CD2-CD2 3.61Å; L557-L835 HydrophobicContact CD2-CG 3.56Å; L787-L835 HydrophobicContact CB-CD1 4.35Å; L787-L835 HydrophobicContact CD1-CD1 4.46Å; L787-L835 HydrophobicContact CD2-CD1 4.08Å; P788-L835 HydrophobicContact CG-CD1 4.42Å; D831-L835 WeakPolarHBondContact O-CG 3.23Å; D831-L835 PolarHBondContact O-N 3.06Å; V832-L835 WeakPolarHBondContact O-CB 3.49Å; V832-L835 PolarHBondContact O-N 3.35Å; E833-L835 VanDerWaalsContact C-N 3.31Å; E833-L835 PolarHBondContact O-N 2.98Å; L835-L838 PolarHBondContact O-N 3.41Å; L835-S839 PolarHBondContact O-N 3.04Å; L835-L869 HydrophobicContact CD2-CD2 3.68Å |
| 836 | L | 88.6 | Confident | 84.8 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 177.3 | -69.6 | 175.1 | 0 | 0 | 0 | 111 | L808 E809 V832 E833 S839 R840 L876 V877 | L808-L836 HydrophobicContact CB-CD1 3.94Å; E809-L836 HydrophobicContact CG-CD1 4.42Å; V832-L836 HydrophobicContact CG1-CD1 4.43Å; V832-L836 WeakPolarHBondContact O-CG 3.45Å; V832-L836 PolarHBondContact O-N 3.02Å; E833-L836 PolarHBondContact O-N 2.72Å; E833-L836 VanDerWaalsContact O-N 3.14Å; L836-S839 WeakPolarHBondContact O-CB 3.31Å; L836-S839 PolarHBondContact O-N 3.05Å; L836-S839 PolarHBondContact O-OG 2.89Å; L836-R840 WeakPolarHBondContact O-CG 3.39Å; L836-R840 PolarHBondContact O-N 2.88Å; L836-L876 HydrophobicContact CD2-CD2 4.07Å; L836-V877 HydrophobicContact CD2-CG2 3.51Å |
| 837 | R | 89.4 | Confident | 84.5 | Confident | 95 Ų | 95 | 44.9 Ų | 44.9 | 36% | 0.358 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 175.5 | -67.2 | -173.7 | -172.9 | -166.8 | 0.8 | 112 | E833 T834 S839 R840 G841 E842 | E833-R837 WeakPolarHBondContact O-CG 3.49Å; E833-R837 PolarHBondContact O-N 3.32Å; E833-R837 IonicContact OE1-CZ 3.16Å; E833-R837 IonicContact OE1-NE 2.7Å; E833-R837 PolarHBondContact OE1-NE 3.18Å; E833-R837 IonicContact OE1-NH2 2.82Å; E833-R837 PolarHBondContact OE1-NH2 2.93Å; E833-R837 IonicContact OE2-NH2 3.91Å; T834-R837 PolarHBondContact O-N 2.86Å; R837-S839 PolarHBondContact O-N 3.38Å; R837-R840 WeakPolarHBondContact O-CB 3.5Å; R837-R840 PolarHBondContact O-N 2.9Å; R837-R840 VanDerWaalsContact O-N 3.07Å; R837-G841 PolarHBondContact O-N 3.49Å; R837-E842 HydrophobicContact CB-CB 4.06Å; R837-E842 VanDerWaalsContact CG-OE2 3.29Å; R837-E842 WeakPolarHBondContact CG-OE2 3.33Å; R837-E842 WeakPolarHBondContact O-CB 3.22Å; R837-E842 PolarHBondContact O-N 3.05Å; R837-E842 VanDerWaalsContact O-N 3.14Å |
| 838 | L | 87.3 | Confident | 84.2 | Confident | 19 Ų | 19 | 44.3 Ų | 44.3 | 10% | 0.099 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.5 | -38.6 | 173.8 | -76.2 | 170.7 | 0 | 0 | 0 | 112.5 | V561 T834 L835 R840 G841 H843 Q870 | V561-L838 HydrophobicContact CG1-CD2 4.17Å; V561-L838 HydrophobicContact CG2-CD1 4.04Å; T834-L838 HydrophobicContact CG2-CD1 4.46Å; T834-L838 WeakPolarHBondContact O-CG 3.48Å; T834-L838 PolarHBondContact O-N 2.89Å; L835-L838 PolarHBondContact O-N 3.41Å; L838-R840 VanDerWaalsContact C-N 3.26Å; L838-R840 PolarHBondContact O-N 3.37Å; L838-G841 PolarHBondContact O-N 3.15Å; L838-H843 HydrophobicContact CD2-CB 4.01Å; L838-Q870 PolarHBondContact O-NE2 3.39Å |
| 839 | S | 85.8 | Confident | 83.7 | Confident | 16 Ų | 16 | 45.1 Ų | 45.1 | 11% | 0.112 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.9 | -34 | 178.3 | 83.8 | 0 | 0 | 0 | 0 | 113.1 | L835 L836 R837 G841 G873 | L835-S839 PolarHBondContact O-N 3.04Å; L836-S839 WeakPolarHBondContact O-CB 3.31Å; L836-S839 PolarHBondContact O-N 3.05Å; L836-S839 PolarHBondContact O-OG 2.89Å; R837-S839 PolarHBondContact O-N 3.38Å; S839-G841 PolarHBondContact O-N 3Å; S839-G873 VanDerWaalsContact CB-C 3.43Å |
| 840 | R | 86.8 | Confident | 83 | Confident | 135 Ų | 135 | 45.2 Ų | 45.2 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -4.8 | 176.9 | -62.3 | 169.7 | -174 | -177.4 | -0.9 | 112.9 | E809 L836 R837 L838 E842 | E809-R840 IonicContact OE1-CZ 3.35Å; E809-R840 IonicContact OE1-NE 2.93Å; E809-R840 IonicContact OE1-NH2 3.67Å; E809-R840 PolarHBondContact OE1-NH2 3.32Å; E809-R840 IonicContact OE2-NH2 3.67Å; E809-R840 PolarHBondContact OE2-NH2 3.04Å; L836-R840 WeakPolarHBondContact O-CG 3.39Å; L836-R840 PolarHBondContact O-N 2.88Å; R837-R840 WeakPolarHBondContact O-CB 3.5Å; R837-R840 PolarHBondContact O-N 2.9Å; R837-R840 VanDerWaalsContact O-N 3.07Å; L838-R840 VanDerWaalsContact C-N 3.26Å; L838-R840 PolarHBondContact O-N 3.37Å; R840-E842 HydrophobicContact CB-CG 4.13Å; R840-E842 VanDerWaalsContact CD-OE1 3.3Å; R840-E842 WeakPolarHBondContact CD-OE1 3.39Å; R840-E842 IonicContact NH1-OE1 3.7Å; R840-E842 PolarHBondContact O-N 3.27Å |
| 841 | G | 80.3 | Confident | 82.5 | Confident | 20 Ų | 20 | 43 Ų | 43 | 21% | 0.206 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | 5.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R837 L838 S839 K844 | R837-G841 PolarHBondContact O-N 3.49Å; L838-G841 PolarHBondContact O-N 3.15Å; S839-G841 PolarHBondContact O-N 3Å; G841-K844 WeakPolarHBondContact O-CG 3.36Å; G841-K844 PolarHBondContact O-N 3.41Å |
| 842 | E | 72.1 | Confident | 82.1 | Confident | 83 Ų | 83 | 47.7 Ų | 47.7 | 39% | 0.388 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 140.7 | 165.2 | -57 | 170.9 | -152.9 | 0 | 0 | 107.2 | R837 R840 | R837-E842 HydrophobicContact CB-CB 4.06Å; R837-E842 VanDerWaalsContact CG-OE2 3.29Å; R837-E842 WeakPolarHBondContact CG-OE2 3.33Å; R837-E842 WeakPolarHBondContact O-CB 3.22Å; R837-E842 PolarHBondContact O-N 3.05Å; R837-E842 VanDerWaalsContact O-N 3.14Å; R840-E842 HydrophobicContact CB-CG 4.13Å; R840-E842 VanDerWaalsContact CD-OE1 3.3Å; R840-E842 WeakPolarHBondContact CD-OE1 3.39Å; R840-E842 IonicContact NH1-OE1 3.7Å; R840-E842 PolarHBondContact O-N 3.27Å |
| 843 | H | 71.3 | Confident | 81.7 | Confident | 37 Ų | 37 | 53.2 Ų | 53.2 | 17% | 0.171 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 2.7 | -173.3 | -45.7 | -72.8 | 0 | 0 | 0 | 117.5 | V561 L838 E845 Q846 | V561-H843 HydrophobicContact CG1-CB 3.87Å; L838-H843 HydrophobicContact CD2-CB 4.01Å; H843-E845 PolarHBondContact O-N 3.32Å; H843-E845 VanDerWaalsContact O-N 3.15Å; H843-Q846 HydrophobicContact CB-CG 4.23Å; H843-Q846 PolarHBondContact ND1-NE2 3.3Å; H843-Q846 PolarHBondContact ND1-OE1 3.26Å; H843-Q846 WeakPolarHBondContact O-CB 3.22Å; H843-Q846 PolarHBondContact O-N 3.27Å |
| 844 | K | 67.9 | Low | 81.2 | Confident | 133 Ų | 133 | 52.5 Ų | 52.5 | 58% | 0.578 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -55.9 | -29.9 | 168.6 | -81.9 | -175.8 | 177 | -174.7 | 0 | 113 | G841 Q846 K852 | G841-K844 WeakPolarHBondContact O-CG 3.36Å; G841-K844 PolarHBondContact O-N 3.41Å; K844-Q846 VanDerWaalsContact C-N 3.31Å; K844-K852 WeakPolarHBondContact O-CE 3.32Å; K844-K852 PolarHBondContact O-NZ 2.96Å |
| 845 | E | 70.9 | Confident | 80.8 | Confident | 189 Ų | 189 | 63.2 Ų | 63.2 | 88% | 0.883 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -75.4 | -16.9 | 178.8 | -63.4 | -179.1 | 174.3 | 0 | 0 | 113.6 | H843 V847 | H843-E845 PolarHBondContact O-N 3.32Å; H843-E845 VanDerWaalsContact O-N 3.15Å; E845-V847 VanDerWaalsContact C-N 3.31Å; E845-V847 PolarHBondContact O-N 2.99Å |
| 846 | Q | 80.6 | Confident | 80.5 | Confident | 46 Ų | 46 | 64.1 Ų | 64.1 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -76.4 | -20.6 | -179.4 | -66.5 | -177.7 | -18.2 | 0 | 0 | 113 | V561 C562 L565 P566 H843 K844 | V561-Q846 PolarHBondContact O-OE1 3.46Å; C562-Q846 PolarHBondContact SG-NE2 3.32Å; C562-Q846 VanDerWaalsContact SG-NE2 3.36Å; L565-Q846 CarbonylContact C-O 3.57Å; P566-Q846 HydrophobicContact CG-CB 4.23Å; H843-Q846 HydrophobicContact CB-CG 4.23Å; H843-Q846 PolarHBondContact ND1-NE2 3.3Å; H843-Q846 PolarHBondContact ND1-OE1 3.26Å; H843-Q846 WeakPolarHBondContact O-CB 3.22Å; H843-Q846 PolarHBondContact O-N 3.27Å; K844-Q846 VanDerWaalsContact C-N 3.31Å |
| 847 | V | 81.6 | Confident | 80.5 | Confident | 15 Ų | 15 | 72 Ų | 72 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -84.5 | 118.3 | 169.6 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | L565 E845 A851 K852 M863 L866 | L565-V847 HydrophobicContact CD1-CG2 4Å; E845-V847 VanDerWaalsContact C-N 3.31Å; E845-V847 PolarHBondContact O-N 2.99Å; V847-A851 HydrophobicContact CG1-CB 4.09Å; V847-K852 HydrophobicContact CB-CG 4.44Å; V847-K852 HydrophobicContact CG1-CG 3.79Å; V847-K852 WeakPolarHBondContact O-CE 3.31Å; V847-K852 PolarHBondContact O-NZ 2.79Å; V847-M863 HydrophobicContact CG1-SD 4.01Å; V847-L866 HydrophobicContact CG2-CD1 3.79Å |
| 848 | S | 83 | Confident | 80.5 | Confident | 24 Ų | 24 | 69.7 Ų | 69.7 | 17% | 0.168 | 33% | 0.333 | C | S | . | . | trans | -57.5 | 149.5 | 178.9 | 66.6 | 0 | 0 | 0 | 0 | 111.8 | G569 A850 A851 K852 | G569-S848 WeakPolarHBondContact CA-OG 3.46Å; S848-A850 PolarHBondContact O-N 2.86Å; S848-A851 PolarHBondContact O-N 3.33Å; S848-A851 WeakPolarHBondContact OG-CB 3.47Å; S848-A851 PolarHBondContact OG-N 3.15Å; S848-A851 VanDerWaalsContact OG-N 3.16Å; S848-K852 PolarHBondContact O-N 3.25Å; S848-K852 VanDerWaalsContact O-N 3.12Å | ||
| 849 | A | 78.6 | Confident | 80.7 | Confident | 35 Ų | 35 | 68.8 Ų | 68.8 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | T759 A851 K852 E853 | T759-A849 HydrophobicContact CG2-CB 4.08Å; A849-A851 VanDerWaalsContact C-N 3.33Å; A849-A851 PolarHBondContact O-N 3.47Å; A849-K852 PolarHBondContact O-N 3.31Å; A849-E853 WeakPolarHBondContact O-CB 3.33Å; A849-E853 WeakPolarHBondContact O-CG 3.48Å; A849-E853 PolarHBondContact O-N 2.95Å |
| 850 | A | 74.7 | Confident | 80.9 | Confident | 2 Ų | 2 | 71 Ų | 71 | 2% | 0.017 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -54.1 | -45.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A572 V761 S848 C854 | A572-A850 HydrophobicContact CB-CB 4.47Å; V761-A850 HydrophobicContact CG2-CB 3.73Å; S848-A850 PolarHBondContact O-N 2.86Å; A850-C854 WeakPolarHBondContact O-CB 3.5Å; A850-C854 PolarHBondContact O-N 2.91Å |
| 851 | A | 81.4 | Confident | 81.2 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 2% | 0.017 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.8 | -30.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L767 V847 S848 A849 T859 | L767-A851 HydrophobicContact CD1-CB 4.18Å; V847-A851 HydrophobicContact CG1-CB 4.09Å; S848-A851 PolarHBondContact O-N 3.33Å; S848-A851 WeakPolarHBondContact OG-CB 3.47Å; S848-A851 PolarHBondContact OG-N 3.15Å; S848-A851 VanDerWaalsContact OG-N 3.16Å; A849-A851 VanDerWaalsContact C-N 3.33Å; A849-A851 PolarHBondContact O-N 3.47Å; A851-T859 HydrophobicContact CB-CG2 4.39Å; A851-T859 WeakPolarHBondContact O-CG2 3.42Å |
| 852 | K | 82.8 | Confident | 81.8 | Confident | 98 Ų | 98 | 67.9 Ų | 67.9 | 43% | 0.426 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -73.5 | -35.2 | 177.3 | -70.1 | 173.5 | -174.7 | 155.5 | 0 | 113.2 | K844 V847 S848 A849 M863 | K844-K852 WeakPolarHBondContact O-CE 3.32Å; K844-K852 PolarHBondContact O-NZ 2.96Å; V847-K852 HydrophobicContact CB-CG 4.44Å; V847-K852 HydrophobicContact CG1-CG 3.79Å; V847-K852 WeakPolarHBondContact O-CE 3.31Å; V847-K852 PolarHBondContact O-NZ 2.79Å; S848-K852 PolarHBondContact O-N 3.25Å; S848-K852 VanDerWaalsContact O-N 3.12Å; A849-K852 PolarHBondContact O-N 3.31Å; K852-M863 HydrophobicContact CG-CE 4.18Å |
| 853 | E | 80.3 | Confident | 82.8 | Confident | 119 Ų | 119 | 66.2 Ų | 66.2 | 56% | 0.556 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -90.9 | -22.7 | -175.1 | -67.6 | 178 | -168.9 | 0 | 0 | 112.5 | T759 A849 R855 | T759-E853 WeakPolarHBondContact CB-OE2 3.45Å; T759-E853 WeakPolarHBondContact CG2-OE1 3.44Å; T759-E853 WeakPolarHBondContact CG2-OE2 3.42Å; A849-E853 WeakPolarHBondContact O-CB 3.33Å; A849-E853 WeakPolarHBondContact O-CG 3.48Å; A849-E853 PolarHBondContact O-N 2.95Å; E853-R855 PolarHBondContact O-N 3.22Å |
| 854 | C | 82 | Confident | 83.7 | Confident | 21 Ų | 21 | 69.2 Ų | 69.2 | 14% | 0.142 | 33% | 0.333 | C | S | . | . | trans | -62.8 | 128.1 | 175.3 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | L764 L767 A850 G856 T859 | L764-C854 WeakPolarHBondContact CD1-SG 3.26Å; L767-C854 HydrophobicContact CD2-CB 3.92Å; A850-C854 WeakPolarHBondContact O-CB 3.5Å; A850-C854 PolarHBondContact O-N 2.91Å; C854-G856 PolarHBondContact SG-N 3.34Å; C854-T859 HydrophobicContact CB-CG2 4.01Å | ||
| 855 | R | 81.9 | Confident | 84.8 | Confident | 233 Ų | 233 | 63.5 Ų | 63.5 | 88% | 0.879 | 31% | 0.311 | S | S | * | . | trans | -100.5 | 19.8 | 178.9 | -59.7 | -169.1 | -179.8 | -150.8 | 1 | 113.4 | E853 | E853-R855 PolarHBondContact O-N 3.22Š| ||
| 856 | G | 84.2 | Confident | 85.8 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 21% | 0.206 | 27% | 0.274 | C | S | . | . | trans | -70.3 | 150.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E768 C854 N858 T859 V860 | E768-G856 WeakPolarHBondContact OE1-CA 3.37Å; C854-G856 PolarHBondContact SG-N 3.34Å; G856-N858 PolarHBondContact O-N 3.06Å; G856-T859 PolarHBondContact O-N 3.06Å; G856-V860 WeakPolarHBondContact O-CG2 3.31Å; G856-V860 PolarHBondContact O-N 2.96Å | ||
| 857 | E | 87.8 | Confident | 86.2 | Confident | 170 Ų | 170 | 59.2 Ų | 59.2 | 79% | 0.794 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -57.9 | -44.8 | -170.7 | -63.9 | -179.6 | 169.9 | 0 | 0 | 112.6 | E768 F861 | E768-E857 PolarHBondContact OE2-N 3.42Å; E857-F861 WeakPolarHBondContact O-CB 3.44Å; E857-F861 PolarHBondContact O-N 3.38Å |
| 858 | N | 89.9 | Confident | 86.6 | Confident | 46 Ų | 46 | 63 Ų | 63 | 25% | 0.246 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -75.1 | -31.7 | -178.5 | -60.1 | -78.2 | 0 | 0 | 0 | 112 | E768 S772 G856 F861 L862 | E768-N858 VanDerWaalsContact O-CB 3.24Å; E768-N858 WeakPolarHBondContact O-CB 3.48Å; E768-N858 WeakPolarHBondContact OE2-CA 3.4Å; E768-N858 WeakPolarHBondContact OE2-CB 3.41Å; E768-N858 PolarHBondContact OE2-N 3.48Å; E768-N858 PolarHBondContact OE2-ND2 3.21Å; S772-N858 VanDerWaalsContact CB-OD1 3.24Å; S772-N858 WeakPolarHBondContact CB-OD1 3.27Å; S772-N858 PolarHBondContact OG-OD1 3.3Å; G856-N858 PolarHBondContact O-N 3.06Å; N858-F861 PolarHBondContact O-N 3.03Å; N858-L862 PolarHBondContact O-N 3.27Å |
| 859 | T | 90.7 | Very high | 86.8 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.5 | -40.7 | 175.9 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | E768 S771 A851 C854 G856 F861 L862 M863 | E768-T859 VanDerWaalsContact OE1-CB 3.25Å; E768-T859 WeakPolarHBondContact OE1-CB 3.13Å; E768-T859 PolarHBondContact OE1-N 3.44Å; E768-T859 PolarHBondContact OE1-OG1 3.44Å; S771-T859 PolarHBondContact OG-OG1 3.27Å; A851-T859 HydrophobicContact CB-CG2 4.39Å; A851-T859 WeakPolarHBondContact O-CG2 3.42Å; C854-T859 HydrophobicContact CB-CG2 4.01Å; G856-T859 PolarHBondContact O-N 3.06Å; T859-F861 VanDerWaalsContact C-N 3.34Å; T859-F861 PolarHBondContact O-N 3.14Å; T859-L862 PolarHBondContact O-N 3.44Å; T859-M863 WeakPolarHBondContact O-CG 3.39Å; T859-M863 PolarHBondContact O-N 3.09Å |
| 860 | V | 90.5 | Very high | 87.3 | Confident | 62 Ų | 62 | 62.2 Ų | 62.2 | 38% | 0.376 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 170.2 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | G856 L862 M863 E864 | G856-V860 WeakPolarHBondContact O-CG2 3.31Å; G856-V860 PolarHBondContact O-N 2.96Å; V860-L862 VanDerWaalsContact C-N 3.33Å; V860-L862 PolarHBondContact O-N 3.19Å; V860-M863 WeakPolarHBondContact O-CB 3.39Å; V860-M863 PolarHBondContact O-N 2.99Å; V860-M863 VanDerWaalsContact O-N 3.09Å; V860-E864 PolarHBondContact O-N 3.1Å |
| 861 | F | 91.7 | Very high | 87.9 | Confident | 87 Ų | 87 | 64.6 Ų | 64.6 | 38% | 0.382 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 177.4 | -177.8 | -120.9 | 0 | 0 | 0 | 113.3 | A775 E857 N858 T859 E864 A865 | A775-F861 HydrophobicContact CB-CD1 3.38Å; A775-F861 HydrophobicContact CB-CE1 3.5Å; A775-F861 HydrophobicContact CB-CG 4.34Å; E857-F861 WeakPolarHBondContact O-CB 3.44Å; E857-F861 PolarHBondContact O-N 3.38Å; N858-F861 PolarHBondContact O-N 3.03Å; T859-F861 VanDerWaalsContact C-N 3.34Å; T859-F861 PolarHBondContact O-N 3.14Å; F861-E864 PolarHBondContact O-N 2.98Å; F861-A865 PolarHBondContact O-N 3.43Å |
| 862 | L | 94.3 | Very high | 87.9 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 172.5 | 174.6 | 63 | 0 | 0 | 0 | 111.6 | L565 L568 L774 A775 I778 N858 T859 V860 E864 A865 L866 | L565-L862 HydrophobicContact CD2-CD2 4.31Å; L568-L862 HydrophobicContact CD2-CD2 3.5Å; L568-L862 VanDerWaalsContact CD2-CD2 3.5Å; L774-L862 HydrophobicContact CB-CD1 3.86Å; L774-L862 HydrophobicContact CB-CD2 4.44Å; A775-L862 HydrophobicContact CB-CB 4.27Å; A775-L862 HydrophobicContact CB-CD1 4.29Å; I778-L862 HydrophobicContact CD1-CD1 3.81Å; N858-L862 PolarHBondContact O-N 3.27Å; T859-L862 PolarHBondContact O-N 3.44Å; V860-L862 VanDerWaalsContact C-N 3.33Å; V860-L862 PolarHBondContact O-N 3.19Å; L862-E864 VanDerWaalsContact C-N 3.34Å; L862-E864 PolarHBondContact O-N 3.45Å; L862-A865 WeakPolarHBondContact O-CB 3.45Å; L862-A865 PolarHBondContact O-N 3.1Å; L862-A865 VanDerWaalsContact O-N 3.16Å; L862-L866 HydrophobicContact CD1-CD1 4.43Å; L862-L866 HydrophobicContact CD1-CG 4.33Å; L862-L866 HydrophobicContact CG-CD1 4.26Å; L862-L866 WeakPolarHBondContact O-CG 3.47Å; L862-L866 PolarHBondContact O-N 3.17Å |
| 863 | M | 92.6 | Very high | 88 | Confident | 48 Ų | 48 | 61.6 Ų | 61.6 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 178.4 | -68.2 | -57.3 | -66.2 | 0 | 0 | 111.3 | V847 K852 T859 V860 A865 L866 E867 | V847-M863 HydrophobicContact CG1-SD 4.01Å; K852-M863 HydrophobicContact CG-CE 4.18Å; T859-M863 WeakPolarHBondContact O-CG 3.39Å; T859-M863 PolarHBondContact O-N 3.09Å; V860-M863 WeakPolarHBondContact O-CB 3.39Å; V860-M863 PolarHBondContact O-N 2.99Å; V860-M863 VanDerWaalsContact O-N 3.09Å; M863-A865 VanDerWaalsContact C-N 3.33Å; M863-A865 PolarHBondContact O-N 3Å; M863-L866 PolarHBondContact O-N 3.29Å; M863-L866 HydrophobicContact SD-CD1 4.28Å; M863-E867 WeakPolarHBondContact O-CG 3.26Å; M863-E867 PolarHBondContact O-N 2.99Å |
| 864 | E | 91.2 | Very high | 88.3 | Confident | 100 Ų | 100 | 61 Ų | 61 | 47% | 0.467 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 172.7 | -70 | -179.9 | -177.2 | 0 | 0 | 112.2 | V860 F861 L862 L866 E867 N868 | V860-E864 PolarHBondContact O-N 3.1Å; F861-E864 PolarHBondContact O-N 2.98Å; L862-E864 VanDerWaalsContact C-N 3.34Å; L862-E864 PolarHBondContact O-N 3.45Å; E864-L866 VanDerWaalsContact C-N 3.34Å; E864-L866 PolarHBondContact O-N 3.27Å; E864-E867 PolarHBondContact O-N 3.46Å; E864-N868 WeakPolarHBondContact O-CB 3.33Å; E864-N868 VanDerWaalsContact O-CG 3.3Å; E864-N868 PolarHBondContact O-N 3.42Å; E864-N868 PolarHBondContact O-ND2 3Å |
| 865 | A | 91 | Very high | 88.3 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 12% | 0.116 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I778 F861 L862 M863 L869 | I778-A865 HydrophobicContact CD1-CB 4.44Å; I778-A865 HydrophobicContact CG2-CB 4.32Å; F861-A865 PolarHBondContact O-N 3.43Å; L862-A865 WeakPolarHBondContact O-CB 3.45Å; L862-A865 PolarHBondContact O-N 3.1Å; L862-A865 VanDerWaalsContact O-N 3.16Å; M863-A865 VanDerWaalsContact C-N 3.33Å; M863-A865 PolarHBondContact O-N 3Å; A865-L869 PolarHBondContact O-N 3.3Å |
| 866 | L | 91.4 | Very high | 88.1 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.6 | -39.5 | 176.1 | -68.3 | 173.4 | 0 | 0 | 0 | 112.4 | L565 I778 V847 L862 M863 E864 N868 L869 Q870 | L565-L866 HydrophobicContact CD1-CD1 4.31Å; L565-L866 HydrophobicContact CD1-CD2 3.95Å; L565-L866 HydrophobicContact CD2-CD1 4.06Å; L565-L866 HydrophobicContact CD2-CD2 4.38Å; I778-L866 HydrophobicContact CD1-CD2 3.85Å; I778-L866 HydrophobicContact CD1-CG 4.4Å; V847-L866 HydrophobicContact CG2-CD1 3.79Å; L862-L866 HydrophobicContact CD1-CD1 4.43Å; L862-L866 HydrophobicContact CD1-CG 4.33Å; L862-L866 HydrophobicContact CG-CD1 4.26Å; L862-L866 WeakPolarHBondContact O-CG 3.47Å; L862-L866 PolarHBondContact O-N 3.17Å; M863-L866 PolarHBondContact O-N 3.29Å; M863-L866 HydrophobicContact SD-CD1 4.28Å; E864-L866 VanDerWaalsContact C-N 3.34Å; E864-L866 PolarHBondContact O-N 3.27Å; L866-N868 VanDerWaalsContact C-N 3.35Å; L866-L869 HydrophobicContact CD2-CD1 4.25Å; L866-L869 WeakPolarHBondContact O-CB 3.49Å; L866-L869 PolarHBondContact O-N 2.96Å; L866-Q870 PolarHBondContact O-N 3.01Å |
| 867 | E | 89.8 | Confident | 87.9 | Confident | 122 Ų | 122 | 52.8 Ų | 52.8 | 57% | 0.57 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.6 | -42.5 | 173.9 | -74.7 | -178.1 | 180 | 0 | 0 | 111.5 | M863 E864 L869 Q870 A871 | M863-E867 WeakPolarHBondContact O-CG 3.26Å; M863-E867 PolarHBondContact O-N 2.99Å; E864-E867 PolarHBondContact O-N 3.46Å; E867-L869 PolarHBondContact O-N 2.93Å; E867-Q870 PolarHBondContact O-N 3.25Å; E867-A871 WeakPolarHBondContact O-CB 3.46Å; E867-A871 PolarHBondContact O-N 3.02Å |
| 868 | N | 88.7 | Confident | 87.3 | Confident | 95 Ų | 95 | 48.6 Ų | 48.6 | 51% | 0.508 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 173.9 | -77.5 | -45.9 | 0 | 0 | 0 | 112.1 | E864 L866 A871 N872 | E864-N868 WeakPolarHBondContact O-CB 3.33Å; E864-N868 VanDerWaalsContact O-CG 3.3Å; E864-N868 PolarHBondContact O-N 3.42Å; E864-N868 PolarHBondContact O-ND2 3Å; L866-N868 VanDerWaalsContact C-N 3.35Å; N868-A871 PolarHBondContact O-N 3.17Å; N868-N872 WeakPolarHBondContact O-CB 3.42Å; N868-N872 PolarHBondContact O-N 2.82Å; N868-N872 PolarHBondContact O-ND2 3.26Å |
| 869 | L | 88.1 | Confident | 86 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 172.5 | -85.3 | 169.5 | 0 | 0 | 0 | 111.8 | L557 I778 Q782 L835 A865 L866 E867 N872 G873 | L557-L869 HydrophobicContact CD1-CD1 4.16Å; L557-L869 HydrophobicContact CD1-CD2 4.11Å; L557-L869 HydrophobicContact CD2-CD2 4.39Å; I778-L869 HydrophobicContact CB-CD1 4.48Å; I778-L869 HydrophobicContact CD1-CD1 4.14Å; I778-L869 HydrophobicContact CG1-CD1 4.19Å; I778-L869 HydrophobicContact CG2-CD1 3.48Å; I778-L869 VanDerWaalsContact CG2-CD1 3.48Å; I778-L869 HydrophobicContact CG2-CD2 4.47Å; I778-L869 HydrophobicContact CG2-CG 3.93Å; Q782-L869 HydrophobicContact CG-CD2 4.18Å; L835-L869 HydrophobicContact CD2-CD2 3.68Å; A865-L869 PolarHBondContact O-N 3.3Å; L866-L869 HydrophobicContact CD2-CD1 4.25Å; L866-L869 WeakPolarHBondContact O-CB 3.49Å; L866-L869 PolarHBondContact O-N 2.96Å; E867-L869 PolarHBondContact O-N 2.93Å; L869-N872 PolarHBondContact O-N 3.39Å; L869-G873 PolarHBondContact O-N 3.46Å |
| 870 | Q | 88.6 | Confident | 84.8 | Confident | 42 Ų | 42 | 55.7 Ų | 55.7 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -42.8 | 177.6 | 179.3 | 172.9 | 63.9 | 0 | 0 | 111.8 | L838 L866 E867 N872 G873 K874 | L838-Q870 PolarHBondContact O-NE2 3.39Å; L866-Q870 PolarHBondContact O-N 3.01Å; E867-Q870 PolarHBondContact O-N 3.25Å; Q870-N872 VanDerWaalsContact C-N 3.33Å; Q870-N872 PolarHBondContact O-N 3.19Å; Q870-G873 PolarHBondContact O-N 3.07Å; Q870-K874 HydrophobicContact CG-CD 4.4Å; Q870-K874 WeakPolarHBondContact O-CG 3.41Å; Q870-K874 PolarHBondContact O-N 3.36Å |
| 871 | A | 86.4 | Confident | 84.5 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E867 N868 G873 K874 A875 | E867-A871 WeakPolarHBondContact O-CB 3.46Å; E867-A871 PolarHBondContact O-N 3.02Å; N868-A871 PolarHBondContact O-N 3.17Å; A871-G873 VanDerWaalsContact C-N 3.35Å; A871-G873 PolarHBondContact O-N 2.7Å; A871-K874 PolarHBondContact O-N 2.86Å; A871-A875 WeakPolarHBondContact O-CB 3.47Å; A871-A875 PolarHBondContact O-N 3.43Å |
| 872 | N | 83.3 | Confident | 84.1 | Confident | 37 Ų | 37 | 53.7 Ų | 53.7 | 20% | 0.198 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 174.5 | -70.7 | -24.8 | 0 | 0 | 0 | 112.2 | P788 G789 N868 L869 Q870 A875 L876 | P788-N872 WeakPolarHBondContact O-CB 3.4Å; P788-N872 VanDerWaalsContact O-CG 3.32Å; P788-N872 PolarHBondContact O-ND2 2.66Å; G789-N872 WeakPolarHBondContact CA-OD1 3.36Å; N868-N872 WeakPolarHBondContact O-CB 3.42Å; N868-N872 PolarHBondContact O-N 2.82Å; N868-N872 PolarHBondContact O-ND2 3.26Å; L869-N872 PolarHBondContact O-N 3.39Å; Q870-N872 VanDerWaalsContact C-N 3.33Å; Q870-N872 PolarHBondContact O-N 3.19Å; N872-A875 PolarHBondContact O-N 3.42Å; N872-L876 PolarHBondContact O-N 3.07Å; N872-L876 VanDerWaalsContact O-N 3.11Å |
| 873 | G | 84.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S839 L869 Q870 A871 A875 L876 V877 | S839-G873 VanDerWaalsContact CB-C 3.43Å; L869-G873 PolarHBondContact O-N 3.46Å; Q870-G873 PolarHBondContact O-N 3.07Å; A871-G873 VanDerWaalsContact C-N 3.35Å; A871-G873 PolarHBondContact O-N 2.7Å; G873-A875 PolarHBondContact O-N 3.28Å; G873-L876 VanDerWaalsContact O-CB 3.31Å; G873-L876 WeakPolarHBondContact O-CB 3.48Å; G873-L876 PolarHBondContact O-N 2.93Å; G873-V877 PolarHBondContact O-N 3.45Å; G873-V877 VanDerWaalsContact O-N 3.16Å |
| 874 | K | 85.6 | Confident | 83 | Confident | 106 Ų | 106 | 57.1 Ų | 57.1 | 46% | 0.461 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 177.2 | -72.9 | 176.1 | 180 | 171.5 | 0 | 112.4 | Q870 A871 L876 V877 A878 | Q870-K874 HydrophobicContact CG-CD 4.4Å; Q870-K874 WeakPolarHBondContact O-CG 3.41Å; Q870-K874 PolarHBondContact O-N 3.36Å; A871-K874 PolarHBondContact O-N 2.86Å; K874-L876 VanDerWaalsContact C-N 3.27Å; K874-L876 PolarHBondContact O-N 3.23Å; K874-V877 PolarHBondContact O-N 3.38Å; K874-A878 WeakPolarHBondContact O-CB 3.3Å; K874-A878 PolarHBondContact O-N 3.32Å |
| 875 | A | 82.5 | Confident | 82.5 | Confident | 48 Ų | 48 | 54.4 Ų | 54.4 | 40% | 0.397 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -36.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A871 N872 G873 V877 D879 | A871-A875 WeakPolarHBondContact O-CB 3.47Å; A871-A875 PolarHBondContact O-N 3.43Å; N872-A875 PolarHBondContact O-N 3.42Å; G873-A875 PolarHBondContact O-N 3.28Å; A875-V877 VanDerWaalsContact C-N 3.33Å; A875-V877 PolarHBondContact O-N 3.34Å; A875-D879 WeakPolarHBondContact O-CB 3.27Å; A875-D879 PolarHBondContact O-N 3.06Å |
| 876 | L | 78.5 | Confident | 81.9 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.9 | -38.6 | 175.3 | -161.8 | 72.9 | 0 | 0 | 0 | 111.8 | P788 V801 Y802 A805 V832 L836 N872 G873 K874 L880 | P788-L876 HydrophobicContact CG-CD1 4.18Å; V801-L876 HydrophobicContact CG1-CD1 4.12Å; Y802-L876 HydrophobicContact CD1-CD1 4.1Å; Y802-L876 HydrophobicContact CD2-CD1 4.12Å; Y802-L876 HydrophobicContact CE1-CD1 4.06Å; Y802-L876 HydrophobicContact CE2-CD1 4.18Å; Y802-L876 HydrophobicContact CG-CD1 4.18Å; A805-L876 HydrophobicContact CB-CD1 4.34Å; A805-L876 HydrophobicContact CB-CD2 3.51Å; A805-L876 HydrophobicContact CB-CG 3.78Å; V832-L876 HydrophobicContact CG1-CD2 4.09Å; L836-L876 HydrophobicContact CD2-CD2 4.07Å; N872-L876 PolarHBondContact O-N 3.07Å; N872-L876 VanDerWaalsContact O-N 3.11Å; G873-L876 VanDerWaalsContact O-CB 3.31Å; G873-L876 WeakPolarHBondContact O-CB 3.48Å; G873-L876 PolarHBondContact O-N 2.93Å; K874-L876 VanDerWaalsContact C-N 3.27Å; K874-L876 PolarHBondContact O-N 3.23Å; L876-L880 VanDerWaalsContact O-CG 3.29Å; L876-L880 WeakPolarHBondContact O-CG 3.4Å |
| 877 | V | 78.9 | Confident | 81.3 | Confident | 52 Ų | 52 | 59.6 Ų | 59.6 | 32% | 0.315 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -76.5 | -42.2 | 178.8 | 177.1 | 0 | 0 | 0 | 0 | 112.4 | L836 G873 K874 A875 D879 L880 | L836-V877 HydrophobicContact CD2-CG2 3.51Å; G873-V877 PolarHBondContact O-N 3.45Å; G873-V877 VanDerWaalsContact O-N 3.16Å; K874-V877 PolarHBondContact O-N 3.38Å; A875-V877 VanDerWaalsContact C-N 3.33Å; A875-V877 PolarHBondContact O-N 3.34Å; V877-D879 PolarHBondContact O-N 3.03Å; V877-L880 PolarHBondContact O-N 2.83Å; V877-L880 VanDerWaalsContact O-N 3.15Å |
| 878 | A | 75.4 | Confident | 80.6 | Confident | 83 Ų | 83 | 54.8 Ų | 54.8 | 69% | 0.686 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.9 | -25.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K874 | K874-A878 WeakPolarHBondContact O-CB 3.3Å; K874-A878 PolarHBondContact O-N 3.32Å |
| 879 | D | 61.6 | Low | 79.9 | Confident | 84 Ų | 84 | 51.5 Ų | 51.5 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -4 | 179.9 | -80.4 | -10.6 | 0 | 0 | 0 | 113.2 | Y802 A875 V877 | Y802-D879 HydrophobicContact CD1-CB 4.41Å; Y802-D879 HydrophobicContact CE1-CB 3.55Å; Y802-D879 PolarHBondContact OH-OD2 3.49Å; A875-D879 WeakPolarHBondContact O-CB 3.27Å; A875-D879 PolarHBondContact O-N 3.06Å; V877-D879 PolarHBondContact O-N 3.03Å |
| 880 | L | 65.9 | Low | 79.2 | Confident | 112 Ų | 112 | 56.1 Ų | 56.1 | 59% | 0.586 | 34% | 0.338 | S | S | * | . | trans | -88.3 | 0 | 174.7 | -76.3 | 172.8 | 0 | 0 | 0 | 111.5 | A805 A806 E809 L876 V877 | A805-L880 HydrophobicContact CB-CD1 4Å; A806-L880 HydrophobicContact CB-CD2 3.59Å; E809-L880 HydrophobicContact CG-CD1 3.91Å; L876-L880 VanDerWaalsContact O-CG 3.29Å; L876-L880 WeakPolarHBondContact O-CG 3.4Å; V877-L880 PolarHBondContact O-N 2.83Å; V877-L880 VanDerWaalsContact O-N 3.15Å |
Retrieved 880 of 880 residues in 753.3 ms
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