| 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 | 46.9 | Very low | 56.5 | Low | 248 Ų | 248 | 138.4 Ų | 138.4 | 100% | 1.222 | 83% | 0.834 | S | S | * | * | 0 | 95 | 0 | -66.2 | 179.2 | 103.4 | 0 | 0 | 109.2 | G3 | M1-G3 PolarHBondContact O-N 3.03Š| |||
| 2 | S | 48.3 | Very low | 57.4 | Low | 125 Ų | 125 | 146.7 Ų | 146.7 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | trans | -88 | 79.4 | 177.7 | 57.8 | 0 | 0 | 0 | 0 | 110.4 | R4 | S2-R4 VanDerWaalsContact C-N 3.3Å; S2-R4 PolarHBondContact O-N 3.14Å | ||
| 3 | G | 54.1 | Low | 58.5 | Low | 77 Ų | 77 | 142 Ų | 142 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | -69.5 | 87.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | M1 G5 | M1-G3 PolarHBondContact O-N 3.03Å; G3-G5 PolarHBondContact O-N 3.25Å | ||
| 4 | R | 53.6 | Low | 59.7 | Low | 212 Ų | 212 | 147 Ų | 147 | 80% | 0.8 | 84% | 0.836 | S | S | * | * | trans | -75.7 | 77.6 | 171.2 | -154.2 | 171 | -165.6 | 169.2 | 0.8 | 108.3 | S2 | S2-R4 VanDerWaalsContact C-N 3.3Å; S2-R4 PolarHBondContact O-N 3.14Å | ||
| 5 | G | 56.8 | Low | 61.4 | Low | 60 Ų | 60 | 142.9 Ų | 142.9 | 62% | 0.619 | 83% | 0.827 | S | S | * | * | trans | -53.1 | 142.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G3 Q7 | G3-G5 PolarHBondContact O-N 3.25Å; G5-Q7 PolarHBondContact O-N 2.86Å | ||
| 6 | K | 62.4 | Low | 63.3 | Low | 212 Ų | 212 | 143.3 Ų | 143.3 | 92% | 0.922 | 82% | 0.816 | S | S | * | * | trans | -25.2 | 116.9 | 174.5 | -125.6 | 173.7 | -179.2 | 174.4 | 0 | 111.4 | G8 | K6-G8 VanDerWaalsContact C-N 3.29Å; K6-G8 PolarHBondContact O-N 3.39Å | ||
| 7 | Q | 57.8 | Low | 65.2 | Low | 156 Ų | 156 | 138.6 Ų | 138.6 | 73% | 0.729 | 80% | 0.795 | S | S | * | * | trans | -57.7 | 87.2 | 177.8 | -74.8 | 166.1 | -4.8 | 0 | 0 | 110.9 | G5 | G5-Q7 PolarHBondContact O-N 2.86Š| ||
| 8 | G | 56.1 | Low | 67 | Low | 81 Ų | 81 | 136.2 Ų | 136.2 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | -100.9 | 1.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K6 | K6-G8 VanDerWaalsContact C-N 3.29Å; K6-G8 PolarHBondContact O-N 3.39Å | ||
| 9 | G | 59.8 | Low | 68.6 | Low | 75 Ų | 75 | 129.9 Ų | 129.9 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -130.3 | 10.1 | -164.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 10 | K | 62 | Low | 70 | Confident | 172 Ų | 172 | 126.9 Ų | 126.9 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -98.3 | 137.8 | 170.3 | -73.4 | -171 | 175.6 | -171.1 | 0 | 109.5 | R12 | K10-R12 PolarHBondContact O-N 3.22Š|
| 11 | A | 63.4 | Low | 71.3 | Confident | 104 Ų | 104 | 129.4 Ų | 129.4 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | trans | -42.4 | 114.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | A13 | A11-A13 PolarHBondContact O-N 2.95Š| ||
| 12 | R | 67.9 | Low | 73.7 | Confident | 238 Ų | 238 | 119.6 Ų | 119.6 | 90% | 0.898 | 68% | 0.68 | S | S | * | * | trans | -64.7 | 106.6 | -166.5 | -145.3 | 179.1 | -171.3 | -179.2 | 3.4 | 107.2 | K10 K14 | K10-R12 PolarHBondContact O-N 3.22Å; R12-K14 PolarHBondContact O-N 3.06Å | ||
| 13 | A | 70.9 | Confident | 76.1 | Confident | 86 Ų | 86 | 116.6 Ų | 116.6 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | trans | -49.8 | 140.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | A11 A15 | A11-A13 PolarHBondContact O-N 2.95Å; A13-A15 PolarHBondContact O-N 3.14Å | ||
| 14 | K | 76.3 | Confident | 78.2 | Confident | 212 Ų | 212 | 114.1 Ų | 114.1 | 92% | 0.922 | 64% | 0.637 | S | S | * | * | trans | -48.6 | 115.4 | -179.3 | -81.2 | -175.3 | 178.8 | 177.4 | 0 | 108.8 | R12 K16 | R12-K14 PolarHBondContact O-N 3.06Å; K14-K16 PolarHBondContact O-N 2.86Å; K14-K16 VanDerWaalsContact O-N 3.13Å | ||
| 15 | A | 85 | Confident | 80.3 | Confident | 85 Ų | 85 | 112 Ų | 112 | 70% | 0.702 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 117.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 109 | A13 S17 | A13-A15 PolarHBondContact O-N 3.14Å; A15-S17 PolarHBondContact O-N 3.13Å |
| 16 | K | 91.4 | Very high | 82.3 | Confident | 149 Ų | 149 | 112 Ų | 112 | 65% | 0.648 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -60 | 134.7 | 172.2 | -67 | -169.7 | -179.9 | -175.4 | 0 | 109.9 | K14 R21 | K14-K16 PolarHBondContact O-N 2.86Å; K14-K16 VanDerWaalsContact O-N 3.13Å; K16-R21 HydrophobicContact CB-CG 4.06Å; K16-R21 PolarHBondContact O-NE 3.16Å |
| 17 | S | 95.7 | Very high | 84 | Confident | 65 Ų | 65 | 104.1 Ų | 104.1 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -66.9 | 156.7 | 177.8 | 77.9 | 0 | 0 | 0 | 0 | 110.8 | A15 S19 S20 R21 | A15-S17 PolarHBondContact O-N 3.13Å; S17-S19 VanDerWaalsContact C-N 3.26Å; S17-S19 PolarHBondContact O-N 3.03Å; S17-S20 PolarHBondContact O-N 3.4Å; S17-S20 PolarHBondContact OG-N 3.06Å; S17-R21 WeakPolarHBondContact O-CG 3.43Å; S17-R21 PolarHBondContact O-N 3.03Å; S17-R21 VanDerWaalsContact O-N 3.07Å |
| 18 | R | 96.6 | Very high | 86 | Confident | 95 Ų | 95 | 96.7 Ų | 96.7 | 36% | 0.358 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.9 | -35.7 | 175.7 | -69.4 | -172.6 | -72.3 | 153.5 | -3.3 | 112.1 | R21 A22 V28 G29 H32 | R18-R21 PolarHBondContact O-N 3.13Å; R18-A22 WeakPolarHBondContact O-CB 3.38Å; R18-A22 PolarHBondContact O-N 3.44Å; R18-A22 VanDerWaalsContact O-N 3.08Å; R18-V28 HydrophobicContact CB-CB 4.08Å; R18-V28 HydrophobicContact CB-CG1 3.82Å; R18-G29 VanDerWaalsContact NH2-CA 3.33Å; R18-G29 PolarHBondContact NH2-O 2.73Å; R18-H32 PolarHBondContact NH1-ND1 2.96Å; R18-H32 PolarHBondContact NH2-ND1 3.46Å |
| 19 | S | 98 | Very high | 88 | Confident | 16 Ų | 16 | 94.6 Ų | 94.6 | 11% | 0.112 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -61.6 | -49.4 | 173.6 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | S17 R21 A22 G23 L24 F26 P27 V28 | S17-S19 VanDerWaalsContact C-N 3.26Å; S17-S19 PolarHBondContact O-N 3.03Å; S19-R21 VanDerWaalsContact C-N 3.26Å; S19-R21 PolarHBondContact O-N 3.29Å; S19-A22 CarbonylContact O-C 3.5Å; S19-A22 PolarHBondContact O-N 3.44Å; S19-G23 PolarHBondContact O-N 3.1Å; S19-L24 WeakPolarHBondContact CB-O 3.39Å; S19-L24 PolarHBondContact O-N 2.79Å; S19-L24 VanDerWaalsContact O-N 3.07Å; S19-F26 WeakPolarHBondContact CB-O 3.4Å; S19-F26 PolarHBondContact OG-O 2.81Å; S19-P27 WeakPolarHBondContact OG-CA 3.04Å; S19-V28 PolarHBondContact OG-N 3.11Å |
| 20 | S | 97.5 | Very high | 89.8 | Confident | 70 Ų | 70 | 98.2 Ų | 98.2 | 49% | 0.49 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -29.9 | 179.8 | 114.5 | 0 | 0 | 0 | 0 | 112.7 | S17 | S17-S20 PolarHBondContact O-N 3.4Å; S17-S20 PolarHBondContact OG-N 3.06Å |
| 21 | R | 96.8 | Very high | 91.6 | Very high | 179 Ų | 179 | 90.7 Ų | 90.7 | 68% | 0.675 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -73.1 | -30.4 | 174.5 | -69.6 | 177.8 | -169.3 | -171.1 | -1.1 | 112.4 | K16 S17 R18 S19 | K16-R21 HydrophobicContact CB-CG 4.06Å; K16-R21 PolarHBondContact O-NE 3.16Å; S17-R21 WeakPolarHBondContact O-CG 3.43Å; S17-R21 PolarHBondContact O-N 3.03Å; S17-R21 VanDerWaalsContact O-N 3.07Å; R18-R21 PolarHBondContact O-N 3.13Å; S19-R21 VanDerWaalsContact C-N 3.26Å; S19-R21 PolarHBondContact O-N 3.29Å |
| 22 | A | 97.6 | Very high | 93.2 | Very high | 42 Ų | 42 | 86.9 Ų | 86.9 | 35% | 0.347 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -88.9 | -6.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R18 S19 L24 V50 | R18-A22 WeakPolarHBondContact O-CB 3.38Å; R18-A22 PolarHBondContact O-N 3.44Å; R18-A22 VanDerWaalsContact O-N 3.08Å; S19-A22 CarbonylContact O-C 3.5Å; S19-A22 PolarHBondContact O-N 3.44Å; A22-L24 VanDerWaalsContact C-N 3.32Å; A22-L24 HydrophobicContact CB-CD1 3.99Å; A22-L24 HydrophobicContact CB-CG 4.02Å; A22-V50 HydrophobicContact CB-CG1 3.75Å |
| 23 | G | 98.1 | Very high | 94.7 | Very high | 62 Ų | 62 | 83.1 Ų | 83.1 | 64% | 0.639 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 21.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S19 | S19-G23 PolarHBondContact O-N 3.1Š|
| 24 | L | 98.4 | Very high | 96 | Very high | 26 Ų | 26 | 83.5 Ų | 83.5 | 14% | 0.136 | 43% | 0.432 | C | S | . | . | trans | -103.5 | 141.5 | -175.2 | -61.8 | 176.2 | 0 | 0 | 0 | 111.5 | S19 A22 V28 V50 A53 A54 E57 | S19-L24 WeakPolarHBondContact CB-O 3.39Å; S19-L24 PolarHBondContact O-N 2.79Å; S19-L24 VanDerWaalsContact O-N 3.07Å; A22-L24 VanDerWaalsContact C-N 3.32Å; A22-L24 HydrophobicContact CB-CD1 3.99Å; A22-L24 HydrophobicContact CB-CG 4.02Å; L24-V28 HydrophobicContact CD1-CG2 3.88Å; L24-V50 HydrophobicContact CD1-CG1 4.28Å; L24-A53 HydrophobicContact CD1-CB 3.76Å; L24-A54 HydrophobicContact CD1-CB 4.11Å; L24-A54 HydrophobicContact CD2-CB 3.84Å; L24-E57 WeakPolarHBondContact CB-OE2 3.29Å | ||
| 25 | Q | 98.5 | Very high | 97.1 | Very high | 168 Ų | 168 | 74.7 Ų | 74.7 | 79% | 0.785 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -75 | -33.2 | 166.6 | -59.6 | -56.5 | -34.9 | 0 | 0 | 111.4 | E57 | Q25-E57 VanDerWaalsContact N-CD 3.34Å; Q25-E57 PolarHBondContact N-OE1 3.34Å; Q25-E57 VanDerWaalsContact N-OE1 3.13Å; Q25-E57 PolarHBondContact N-OE2 2.86Å |
| 26 | F | 98.4 | Very high | 97.7 | Very high | 59 Ų | 59 | 78 Ų | 78 | 26% | 0.259 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -70.1 | 147.2 | -178.1 | -92.5 | 45 | 0 | 0 | 0 | 112.5 | S19 V28 A53 L56 E57 T60 | S19-F26 WeakPolarHBondContact CB-O 3.4Å; S19-F26 PolarHBondContact OG-O 2.81Å; F26-V28 PolarHBondContact O-N 3.13Å; F26-A53 HydrophobicContact CB-CB 4.31Å; F26-L56 HydrophobicContact CD2-CB 3.8Å; F26-L56 HydrophobicContact CE2-CB 3.77Å; F26-E57 HydrophobicContact CB-CB 4.15Å; F26-E57 WeakPolarHBondContact CB-OE2 3.48Å; F26-E57 HydrophobicContact CD1-CB 3.77Å; F26-E57 HydrophobicContact CD1-CG 3.85Å; F26-E57 HydrophobicContact CD2-CB 4.38Å; F26-E57 HydrophobicContact CE1-CB 4.3Å; F26-E57 HydrophobicContact CE1-CG 4.36Å; F26-E57 HydrophobicContact CG-CB 3.84Å; F26-E57 HydrophobicContact CG-CG 4.37Å; F26-E57 PolarHBondContact N-OE2 3.22Å; F26-T60 HydrophobicContact CE1-CG2 4.4Å; F26-T60 HydrophobicContact CZ-CG2 4.06Å; F26-T60 VanDerWaalsContact CZ-OG1 3.31Å; F26-T60 WeakPolarHBondContact CZ-OG1 3.43Å |
| 27 | P | 98.4 | Very high | 98 | Very high | 46 Ų | 46 | 79.1 Ų | 79.1 | 30% | 0.299 | 39% | 0.394 | S | S | . | . | trans | -82.9 | 85.5 | -171.4 | 33.5 | -37 | 0 | 0 | 0 | 112.7 | S19 G29 R30 I31 | S19-P27 WeakPolarHBondContact OG-CA 3.04Å; P27-G29 PolarHBondContact O-N 2.87Å; P27-R30 HydrophobicContact CB-CB 3.88Å; P27-R30 HydrophobicContact CG-CB 3.97Å; P27-R30 PolarHBondContact O-N 3.44Å; P27-I31 PolarHBondContact O-N 3.01Å | ||
| 28 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -48.6 | -37.9 | 172.5 | 178 | 0 | 0 | 0 | 0 | 111.8 | R18 S19 L24 F26 R30 H32 P49 V50 A53 | R18-V28 HydrophobicContact CB-CB 4.08Å; R18-V28 HydrophobicContact CB-CG1 3.82Å; S19-V28 PolarHBondContact OG-N 3.11Å; L24-V28 HydrophobicContact CD1-CG2 3.88Å; F26-V28 PolarHBondContact O-N 3.13Å; V28-R30 PolarHBondContact O-N 2.92Å; V28-H32 PolarHBondContact O-N 2.81Å; V28-H32 VanDerWaalsContact O-N 3.07Å; V28-P49 HydrophobicContact CG1-CB 4.3Å; V28-P49 HydrophobicContact CG1-CG 4.48Å; V28-V50 HydrophobicContact CG1-CG2 3.74Å; V28-A53 HydrophobicContact CG2-CB 3.82Å |
| 29 | G | 98.1 | Very high | 98.1 | Very high | 38 Ų | 38 | 80 Ų | 80 | 39% | 0.392 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -49.6 | -55.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.6 | R18 P27 R33 | R18-G29 VanDerWaalsContact NH2-CA 3.33Å; R18-G29 PolarHBondContact NH2-O 2.73Å; P27-G29 PolarHBondContact O-N 2.87Å; G29-R33 PolarHBondContact O-N 3.37Å |
| 30 | R | 98.6 | Very high | 98.1 | Very high | 150 Ų | 150 | 87.6 Ų | 87.6 | 57% | 0.566 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -71.7 | -42.8 | -175.7 | -175.7 | -178.8 | -65.9 | 171.9 | -1 | 111 | P27 V28 H32 R33 L34 | P27-R30 HydrophobicContact CB-CB 3.88Å; P27-R30 HydrophobicContact CG-CB 3.97Å; P27-R30 PolarHBondContact O-N 3.44Å; V28-R30 PolarHBondContact O-N 2.92Å; R30-H32 VanDerWaalsContact C-N 3.34Å; R30-H32 PolarHBondContact O-N 3.37Å; R30-R33 WeakPolarHBondContact O-CB 3.4Å; R30-R33 PolarHBondContact O-N 2.99Å; R30-R33 VanDerWaalsContact O-N 3.1Å; R30-L34 HydrophobicContact CG-CD1 4.24Å; R30-L34 HydrophobicContact CG-CG 4.5Å; R30-L34 WeakPolarHBondContact O-CG 3.17Å; R30-L34 PolarHBondContact O-N 3.16Å |
| 31 | I | 98.6 | Very high | 98.1 | Very high | 14 Ų | 14 | 87 Ų | 87 | 7% | 0.072 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 179.4 | -68.8 | 166.4 | 0 | 0 | 0 | 110.7 | P27 R33 L34 L35 P49 L52 A53 L56 | P27-I31 PolarHBondContact O-N 3.01Å; I31-R33 VanDerWaalsContact C-N 3.3Å; I31-R33 PolarHBondContact O-N 2.93Å; I31-L34 PolarHBondContact O-N 2.84Å; I31-L35 HydrophobicContact CG2-CD1 4.14Å; I31-L35 HydrophobicContact CG2-CG 4.41Å; I31-L35 WeakPolarHBondContact O-CG 3.26Å; I31-L35 PolarHBondContact O-N 3.21Å; I31-P49 HydrophobicContact CG2-CB 4.11Å; I31-L52 HydrophobicContact CG2-CB 4.3Å; I31-L52 HydrophobicContact CG2-CD2 3.87Å; I31-L52 HydrophobicContact CG2-CG 4.18Å; I31-A53 HydrophobicContact CD1-CB 3.44Å; I31-A53 VanDerWaalsContact CD1-CB 3.44Å; I31-L56 HydrophobicContact CD1-CD1 4.09Å |
| 32 | H | 98.6 | Very high | 98.1 | Very high | 24 Ų | 24 | 87.9 Ų | 87.9 | 11% | 0.111 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -57.5 | -43.4 | 174.1 | -170.4 | -173.9 | 0 | 0 | 0 | 112.4 | R18 V28 R30 L35 R36 P49 | R18-H32 PolarHBondContact NH1-ND1 2.96Å; R18-H32 PolarHBondContact NH2-ND1 3.46Å; V28-H32 PolarHBondContact O-N 2.81Å; V28-H32 VanDerWaalsContact O-N 3.07Å; R30-H32 VanDerWaalsContact C-N 3.34Å; R30-H32 PolarHBondContact O-N 3.37Å; H32-L35 PolarHBondContact O-N 3.39Å; H32-R36 PolarHBondContact CE1-NH1 2.98Å; H32-R36 VanDerWaalsContact CE1-NH1 3.29Å; H32-R36 PolarHBondContact NE2-NH1 2.85Å; H32-R36 PolarHBondContact O-N 2.87Å; H32-R36 VanDerWaalsContact O-N 3.09Å; H32-P49 HydrophobicContact CB-CB 3.62Å; H32-P49 HydrophobicContact CB-CG 3.75Å |
| 33 | R | 98.5 | Very high | 98.1 | Very high | 159 Ų | 159 | 96 Ų | 96 | 60% | 0.6 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 178.1 | -176.7 | -177.2 | 66 | -163.1 | 3.3 | 111.6 | G29 R30 I31 R36 K37 | G29-R33 PolarHBondContact O-N 3.37Å; R30-R33 WeakPolarHBondContact O-CB 3.4Å; R30-R33 PolarHBondContact O-N 2.99Å; R30-R33 VanDerWaalsContact O-N 3.1Å; I31-R33 VanDerWaalsContact C-N 3.3Å; I31-R33 PolarHBondContact O-N 2.93Å; R33-R36 PolarHBondContact O-N 3.09Å; R33-K37 WeakPolarHBondContact O-CB 3.32Å; R33-K37 PolarHBondContact O-N 3.36Å |
| 34 | L | 98.6 | Very high | 98.2 | Very high | 95 Ų | 95 | 94.7 Ų | 94.7 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 177.1 | -68.3 | 174.7 | 0 | 0 | 0 | 111.5 | R30 I31 R36 K37 G38 | R30-L34 HydrophobicContact CG-CD1 4.24Å; R30-L34 HydrophobicContact CG-CG 4.5Å; R30-L34 WeakPolarHBondContact O-CG 3.17Å; R30-L34 PolarHBondContact O-N 3.16Å; I31-L34 PolarHBondContact O-N 2.84Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 3.3Å; L34-K37 PolarHBondContact O-N 3.45Å; L34-G38 PolarHBondContact O-N 3.4Å |
| 35 | L | 98.4 | Very high | 98.1 | Very high | 27 Ų | 27 | 95.7 Ų | 95.7 | 14% | 0.141 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -58.9 | -41.4 | 175.1 | -72.8 | 173 | 0 | 0 | 0 | 112.4 | I31 H32 Y40 I44 P49 L52 | I31-L35 HydrophobicContact CG2-CD1 4.14Å; I31-L35 HydrophobicContact CG2-CG 4.41Å; I31-L35 WeakPolarHBondContact O-CG 3.26Å; I31-L35 PolarHBondContact O-N 3.21Å; H32-L35 PolarHBondContact O-N 3.39Å; L35-Y40 HydrophobicContact CD2-CD2 3.93Å; L35-Y40 HydrophobicContact CD2-CE2 4.08Å; L35-Y40 WeakPolarHBondContact O-CD2 3.1Å; L35-I44 HydrophobicContact CB-CD1 4.24Å; L35-I44 HydrophobicContact CB-CG1 4.19Å; L35-I44 HydrophobicContact CB-CG2 4.21Å; L35-I44 HydrophobicContact CD1-CG2 4.12Å; L35-P49 HydrophobicContact CD1-CB 4.15Å; L35-L52 HydrophobicContact CD1-CD2 4.17Å; L35-L52 HydrophobicContact CD2-CD2 3.9Å; L35-L52 HydrophobicContact CG-CD2 4.29Å |
| 36 | R | 97.8 | Very high | 98.1 | Very high | 155 Ų | 155 | 91.5 Ų | 91.5 | 59% | 0.585 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -69.7 | -37 | 175.9 | -69.4 | -153.6 | -62.1 | -128.9 | 12.2 | 113.4 | H32 R33 L34 G38 I44 | H32-R36 PolarHBondContact CE1-NH1 2.98Å; H32-R36 VanDerWaalsContact CE1-NH1 3.29Å; H32-R36 PolarHBondContact NE2-NH1 2.85Å; H32-R36 PolarHBondContact O-N 2.87Å; H32-R36 VanDerWaalsContact O-N 3.09Å; R33-R36 PolarHBondContact O-N 3.09Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 3.3Å; R36-G38 VanDerWaalsContact C-N 3.33Å; R36-I44 HydrophobicContact CG-CB 4.27Å; R36-I44 HydrophobicContact CG-CG1 3.89Å |
| 37 | K | 98.2 | Very high | 98 | Very high | 172 Ų | 172 | 91 Ų | 91 | 75% | 0.748 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -74.3 | -25.5 | 178.4 | -173.3 | 177.1 | 176.9 | -175.9 | 0 | 112.4 | R33 L34 N39 | R33-K37 WeakPolarHBondContact O-CB 3.32Å; R33-K37 PolarHBondContact O-N 3.36Å; L34-K37 PolarHBondContact O-N 3.45Å; K37-N39 VanDerWaalsContact C-N 3.25Å; K37-N39 PolarHBondContact O-N 2.93Å |
| 38 | G | 97.6 | Very high | 98.1 | Very high | 34 Ų | 34 | 91 Ų | 91 | 35% | 0.351 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -0.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L34 R36 Y40 | L34-G38 PolarHBondContact O-N 3.4Å; R36-G38 VanDerWaalsContact C-N 3.33Å; G38-Y40 PolarHBondContact O-N 2.93Å; G38-Y40 VanDerWaalsContact O-N 3.14Å |
| 39 | N | 96.7 | Very high | 98.1 | Very high | 145 Ų | 145 | 91 Ų | 91 | 78% | 0.775 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 31.7 | 178.1 | -58.1 | -28.7 | 0 | 0 | 0 | 114.3 | K37 | K37-N39 VanDerWaalsContact C-N 3.25Å; K37-N39 PolarHBondContact O-N 2.93Å |
| 40 | Y | 97.6 | Very high | 98.1 | Very high | 174 Ų | 174 | 91.6 Ų | 91.6 | 68% | 0.682 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -71.6 | -29.6 | 180 | -58.7 | -70 | 0 | 0 | 0 | 113.3 | L35 G38 | L35-Y40 HydrophobicContact CD2-CD2 3.93Å; L35-Y40 HydrophobicContact CD2-CE2 4.08Å; L35-Y40 WeakPolarHBondContact O-CD2 3.1Å; G38-Y40 PolarHBondContact O-N 2.93Å; G38-Y40 VanDerWaalsContact O-N 3.14Å |
| 41 | A | 97.8 | Very high | 98.1 | Very high | 59 Ų | 59 | 92.9 Ų | 92.9 | 49% | 0.488 | 48% | 0.475 | S | S | . | . | trans | -161.5 | 158.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | R43 I44 | A41-R43 VanDerWaalsContact C-N 3.29Å; A41-R43 PolarHBondContact O-N 3.36Å; A41-I44 HydrophobicContact CB-CD1 4.3Å | ||
| 42 | E | 97.5 | Very high | 98.1 | Very high | 196 Ų | 196 | 95.2 Ų | 95.2 | 92% | 0.916 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -59.5 | -39.7 | 176.5 | -171 | -167.9 | 161.5 | 0 | 0 | 112.1 | ||
| 43 | R | 98.2 | Very high | 98.1 | Very high | 212 Ų | 212 | 94.1 Ų | 94.1 | 80% | 0.8 | 48% | 0.482 | S | S | * | . | trans | -128.3 | 138.8 | -179.6 | -59.2 | -179.7 | 72.8 | 177.1 | 3 | 110.5 | A41 | A41-R43 VanDerWaalsContact C-N 3.29Å; A41-R43 PolarHBondContact O-N 3.36Å | ||
| 44 | I | 98.3 | Very high | 98.1 | Very high | 36 Ų | 36 | 88.3 Ų | 88.3 | 19% | 0.185 | 47% | 0.468 | C | S | . | . | trans | -110.5 | 118.2 | 174.1 | -56.6 | -61.2 | 0 | 0 | 0 | 108.6 | L35 R36 A41 A48 | L35-I44 HydrophobicContact CB-CD1 4.24Å; L35-I44 HydrophobicContact CB-CG1 4.19Å; L35-I44 HydrophobicContact CB-CG2 4.21Å; L35-I44 HydrophobicContact CD1-CG2 4.12Å; R36-I44 HydrophobicContact CG-CB 4.27Å; R36-I44 HydrophobicContact CG-CG1 3.89Å; A41-I44 HydrophobicContact CB-CD1 4.3Å; I44-A48 HydrophobicContact CG2-CB 4.19Å | ||
| 45 | G | 98.1 | Very high | 98.1 | Very high | 47 Ų | 47 | 86.3 Ų | 86.3 | 49% | 0.485 | 46% | 0.46 | S | S | . | . | trans | -62.5 | 148.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | G47 A48 P49 | G45-G47 VanDerWaalsContact C-N 3.25Å; G45-G47 PolarHBondContact O-N 3.4Å; G45-A48 WeakPolarHBondContact O-CB 3.36Å; G45-A48 PolarHBondContact O-N 2.95Å; G45-P49 WeakPolarHBondContact O-CD 3.35Å | ||
| 46 | A | 96.8 | Very high | 98.2 | Very high | 80 Ų | 80 | 88.3 Ų | 88.3 | 66% | 0.661 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -63.9 | -28 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | P49 | A46-P49 WeakPolarHBondContact O-CD 3.34Å; A46-P49 WeakPolarHBondContact O-CG 3.04Å |
| 47 | G | 98.1 | Very high | 98.2 | Very high | 48 Ų | 48 | 82.9 Ų | 82.9 | 50% | 0.495 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -80.1 | -28.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | G45 V50 Y51 | G45-G47 VanDerWaalsContact C-N 3.25Å; G45-G47 PolarHBondContact O-N 3.4Å; G47-V50 WeakPolarHBondContact O-CB 3.32Å; G47-V50 PolarHBondContact O-N 2.86Å; G47-Y51 PolarHBondContact O-N 3.14Å |
| 48 | A | 98.6 | Very high | 98.2 | Very high | 47 Ų | 47 | 81.1 Ų | 81.1 | 39% | 0.388 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -53 | -49 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I44 G45 V50 Y51 L52 | I44-A48 HydrophobicContact CG2-CB 4.19Å; G45-A48 WeakPolarHBondContact O-CB 3.36Å; G45-A48 PolarHBondContact O-N 2.95Å; A48-V50 VanDerWaalsContact C-N 3.25Å; A48-V50 PolarHBondContact O-N 3.41Å; A48-Y51 PolarHBondContact O-N 2.9Å; A48-L52 WeakPolarHBondContact O-CB 3.19Å; A48-L52 PolarHBondContact O-N 2.78Å |
| 49 | P | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -70.6 | -18.5 | 178.2 | 28.9 | -37.6 | 0 | 0 | 0 | 114 | V28 I31 H32 L35 G45 A46 A53 | V28-P49 HydrophobicContact CG1-CB 4.3Å; V28-P49 HydrophobicContact CG1-CG 4.48Å; I31-P49 HydrophobicContact CG2-CB 4.11Å; H32-P49 HydrophobicContact CB-CB 3.62Å; H32-P49 HydrophobicContact CB-CG 3.75Å; L35-P49 HydrophobicContact CD1-CB 4.15Å; G45-P49 WeakPolarHBondContact O-CD 3.35Å; A46-P49 WeakPolarHBondContact O-CD 3.34Å; A46-P49 WeakPolarHBondContact O-CG 3.04Å; P49-A53 WeakPolarHBondContact O-CB 3.33Å; P49-A53 PolarHBondContact O-N 3.47Å |
| 50 | V | 98.7 | Very high | 98.4 | Very high | 49 Ų | 49 | 77.9 Ų | 77.9 | 30% | 0.297 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -75.7 | -50.1 | 174.1 | 180 | 0 | 0 | 0 | 0 | 108.9 | A22 L24 V28 G47 A48 L52 A53 A54 | A22-V50 HydrophobicContact CB-CG1 3.75Å; L24-V50 HydrophobicContact CD1-CG1 4.28Å; V28-V50 HydrophobicContact CG1-CG2 3.74Å; G47-V50 WeakPolarHBondContact O-CB 3.32Å; G47-V50 PolarHBondContact O-N 2.86Å; A48-V50 VanDerWaalsContact C-N 3.25Å; A48-V50 PolarHBondContact O-N 3.41Å; V50-L52 PolarHBondContact O-N 3.21Å; V50-A53 WeakPolarHBondContact O-CB 3.46Å; V50-A53 PolarHBondContact O-N 3.32Å; V50-A54 PolarHBondContact O-N 2.9Å |
| 51 | Y | 98.8 | Very high | 98.4 | Very high | 178 Ų | 178 | 72.2 Ų | 72.2 | 70% | 0.698 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59.6 | -49.7 | 178.9 | -169.6 | -90.2 | 0 | 0 | 0 | 111.4 | G47 A48 A53 A54 V55 | G47-Y51 PolarHBondContact O-N 3.14Å; A48-Y51 PolarHBondContact O-N 2.9Å; Y51-A53 VanDerWaalsContact C-N 3.31Å; Y51-A53 PolarHBondContact O-N 2.93Å; Y51-A54 WeakPolarHBondContact O-CB 3.34Å; Y51-A54 PolarHBondContact O-N 3.3Å; Y51-A54 VanDerWaalsContact O-N 3.16Å; Y51-V55 HydrophobicContact CD1-CG2 4.06Å; Y51-V55 HydrophobicContact CE1-CG2 3.75Å; Y51-V55 WeakPolarHBondContact O-CG2 3.36Å; Y51-V55 PolarHBondContact O-N 3.32Å |
| 52 | L | 98.8 | Very high | 98.5 | Very high | 63 Ų | 63 | 72.6 Ų | 72.6 | 33% | 0.33 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 178 | -178.3 | 59.8 | 0 | 0 | 0 | 112.2 | I31 L35 A48 V50 A54 V55 L56 | I31-L52 HydrophobicContact CG2-CB 4.3Å; I31-L52 HydrophobicContact CG2-CD2 3.87Å; I31-L52 HydrophobicContact CG2-CG 4.18Å; L35-L52 HydrophobicContact CD1-CD2 4.17Å; L35-L52 HydrophobicContact CD2-CD2 3.9Å; L35-L52 HydrophobicContact CG-CD2 4.29Å; A48-L52 WeakPolarHBondContact O-CB 3.19Å; A48-L52 PolarHBondContact O-N 2.78Å; V50-L52 PolarHBondContact O-N 3.21Å; L52-A54 VanDerWaalsContact C-N 3.34Å; L52-A54 PolarHBondContact O-N 3.26Å; L52-V55 PolarHBondContact O-N 3.35Å; L52-L56 HydrophobicContact CD1-CD1 4.22Å; L52-L56 HydrophobicContact CD1-CG 4.08Å; L52-L56 HydrophobicContact CG-CD1 4Å; L52-L56 HydrophobicContact CG-CG 4.32Å; L52-L56 WeakPolarHBondContact O-CB 3.31Å; L52-L56 VanDerWaalsContact O-CG 3.22Å; L52-L56 WeakPolarHBondContact O-CG 3.32Å; L52-L56 PolarHBondContact O-N 3.27Å |
| 53 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L24 F26 V28 I31 P49 V50 Y51 L56 E57 | L24-A53 HydrophobicContact CD1-CB 3.76Å; F26-A53 HydrophobicContact CB-CB 4.31Å; V28-A53 HydrophobicContact CG2-CB 3.82Å; I31-A53 HydrophobicContact CD1-CB 3.44Å; I31-A53 VanDerWaalsContact CD1-CB 3.44Å; P49-A53 WeakPolarHBondContact O-CB 3.33Å; P49-A53 PolarHBondContact O-N 3.47Å; V50-A53 WeakPolarHBondContact O-CB 3.46Å; V50-A53 PolarHBondContact O-N 3.32Å; Y51-A53 VanDerWaalsContact C-N 3.31Å; Y51-A53 PolarHBondContact O-N 2.93Å; A53-L56 PolarHBondContact O-N 2.91Å; A53-E57 VanDerWaalsContact O-CB 3.3Å; A53-E57 WeakPolarHBondContact O-CB 3.24Å; A53-E57 PolarHBondContact O-N 3.23Å |
| 54 | A | 98.8 | Very high | 98.5 | Very high | 38 Ų | 38 | 59 Ų | 59 | 31% | 0.314 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L24 V50 Y51 L52 E57 Y58 | L24-A54 HydrophobicContact CD1-CB 4.11Å; L24-A54 HydrophobicContact CD2-CB 3.84Å; V50-A54 PolarHBondContact O-N 2.9Å; Y51-A54 WeakPolarHBondContact O-CB 3.34Å; Y51-A54 PolarHBondContact O-N 3.3Å; Y51-A54 VanDerWaalsContact O-N 3.16Å; L52-A54 VanDerWaalsContact C-N 3.34Å; L52-A54 PolarHBondContact O-N 3.26Å; A54-E57 PolarHBondContact O-N 3.3Å; A54-Y58 WeakPolarHBondContact O-CB 3.46Å; A54-Y58 PolarHBondContact O-N 3.49Å |
| 55 | V | 98.8 | Very high | 98.5 | Very high | 53 Ų | 53 | 63 Ų | 63 | 32% | 0.321 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 177.5 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | Y51 L52 E57 Y58 L59 | Y51-V55 HydrophobicContact CD1-CG2 4.06Å; Y51-V55 HydrophobicContact CE1-CG2 3.75Å; Y51-V55 WeakPolarHBondContact O-CG2 3.36Å; Y51-V55 PolarHBondContact O-N 3.32Å; L52-V55 PolarHBondContact O-N 3.35Å; V55-E57 VanDerWaalsContact C-N 3.34Å; V55-E57 PolarHBondContact O-N 3.3Å; V55-Y58 PolarHBondContact O-N 2.77Å; V55-L59 HydrophobicContact CG1-CD1 4.05Å; V55-L59 HydrophobicContact CG1-CG 4.5Å; V55-L59 WeakPolarHBondContact O-CG 3.13Å; V55-L59 PolarHBondContact O-N 3.15Å |
| 56 | L | 98.8 | Very high | 98.6 | Very high | 68 Ų | 68 | 62.8 Ų | 62.8 | 36% | 0.356 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 177.6 | -69.4 | 174.2 | 0 | 0 | 0 | 112.2 | F26 I31 L52 A53 T60 | F26-L56 HydrophobicContact CD2-CB 3.8Å; F26-L56 HydrophobicContact CE2-CB 3.77Å; I31-L56 HydrophobicContact CD1-CD1 4.09Å; L52-L56 HydrophobicContact CD1-CD1 4.22Å; L52-L56 HydrophobicContact CD1-CG 4.08Å; L52-L56 HydrophobicContact CG-CD1 4Å; L52-L56 HydrophobicContact CG-CG 4.32Å; L52-L56 WeakPolarHBondContact O-CB 3.31Å; L52-L56 VanDerWaalsContact O-CG 3.22Å; L52-L56 WeakPolarHBondContact O-CG 3.32Å; L52-L56 PolarHBondContact O-N 3.27Å; A53-L56 PolarHBondContact O-N 2.91Å; L56-T60 WeakPolarHBondContact O-CB 3.31Å; L56-T60 PolarHBondContact O-N 3.35Å; L56-T60 PolarHBondContact O-OG1 3.21Å |
| 57 | E | 98.8 | Very high | 98.7 | Very high | 41 Ų | 41 | 59 Ų | 59 | 19% | 0.192 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 175.4 | -174.4 | 166.6 | 149.1 | 0 | 0 | 111.3 | L24 Q25 F26 A53 A54 V55 T60 A61 | L24-E57 WeakPolarHBondContact CB-OE2 3.29Å; Q25-E57 VanDerWaalsContact N-CD 3.34Å; Q25-E57 PolarHBondContact N-OE1 3.34Å; Q25-E57 VanDerWaalsContact N-OE1 3.13Å; Q25-E57 PolarHBondContact N-OE2 2.86Å; F26-E57 HydrophobicContact CB-CB 4.15Å; F26-E57 WeakPolarHBondContact CB-OE2 3.48Å; F26-E57 HydrophobicContact CD1-CB 3.77Å; F26-E57 HydrophobicContact CD1-CG 3.85Å; F26-E57 HydrophobicContact CD2-CB 4.38Å; F26-E57 HydrophobicContact CE1-CB 4.3Å; F26-E57 HydrophobicContact CE1-CG 4.36Å; F26-E57 HydrophobicContact CG-CB 3.84Å; F26-E57 HydrophobicContact CG-CG 4.37Å; F26-E57 PolarHBondContact N-OE2 3.22Å; A53-E57 VanDerWaalsContact O-CB 3.3Å; A53-E57 WeakPolarHBondContact O-CB 3.24Å; A53-E57 PolarHBondContact O-N 3.23Å; A54-E57 PolarHBondContact O-N 3.3Å; V55-E57 VanDerWaalsContact C-N 3.34Å; V55-E57 PolarHBondContact O-N 3.3Å; E57-T60 PolarHBondContact O-N 2.91Å; E57-A61 WeakPolarHBondContact O-CB 3.35Å; E57-A61 PolarHBondContact O-N 3.49Å |
| 58 | Y | 98.6 | Very high | 98.7 | Very high | 136 Ų | 136 | 58 Ų | 58 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.5 | -53.8 | 176.6 | 168.4 | -114.6 | 0 | 0 | 0 | 112 | A54 V55 T60 A61 E62 | A54-Y58 WeakPolarHBondContact O-CB 3.46Å; A54-Y58 PolarHBondContact O-N 3.49Å; V55-Y58 PolarHBondContact O-N 2.77Å; Y58-T60 VanDerWaalsContact C-N 3.25Å; Y58-T60 PolarHBondContact O-N 3.32Å; Y58-A61 WeakPolarHBondContact O-CB 3.36Å; Y58-A61 PolarHBondContact O-N 3.14Å; Y58-A61 VanDerWaalsContact O-N 3.09Å; Y58-E62 PolarHBondContact O-N 2.81Å |
| 59 | L | 98.6 | Very high | 98.7 | Very high | 55 Ų | 55 | 58.9 Ų | 58.9 | 29% | 0.288 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.7 | -35.1 | 179.3 | -69.1 | 172.9 | 0 | 0 | 0 | 112.3 | V55 I63 L97 | V55-L59 HydrophobicContact CG1-CD1 4.05Å; V55-L59 HydrophobicContact CG1-CG 4.5Å; V55-L59 WeakPolarHBondContact O-CG 3.13Å; V55-L59 PolarHBondContact O-N 3.15Å; L59-I63 WeakPolarHBondContact O-CG1 3.48Å; L59-I63 PolarHBondContact O-N 3.33Å; L59-I63 VanDerWaalsContact O-N 3.16Å; L59-L97 HydrophobicContact CD2-CD2 4.36Å |
| 60 | T | 98.8 | Very high | 98.7 | Very high | 55 Ų | 55 | 59.5 Ų | 59.5 | 34% | 0.337 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 175.3 | -58.5 | 0 | 0 | 0 | 0 | 111 | F26 L56 E57 Y58 L64 | F26-T60 HydrophobicContact CE1-CG2 4.4Å; F26-T60 HydrophobicContact CZ-CG2 4.06Å; F26-T60 VanDerWaalsContact CZ-OG1 3.31Å; F26-T60 WeakPolarHBondContact CZ-OG1 3.43Å; L56-T60 WeakPolarHBondContact O-CB 3.31Å; L56-T60 PolarHBondContact O-N 3.35Å; L56-T60 PolarHBondContact O-OG1 3.21Å; E57-T60 PolarHBondContact O-N 2.91Å; Y58-T60 VanDerWaalsContact C-N 3.25Å; Y58-T60 PolarHBondContact O-N 3.32Å; T60-L64 HydrophobicContact CG2-CD1 3.85Å; T60-L64 HydrophobicContact CG2-CG 4.35Å; T60-L64 WeakPolarHBondContact O-CB 3.36Å; T60-L64 VanDerWaalsContact O-CG 3.22Å; T60-L64 WeakPolarHBondContact O-CG 3.25Å; T60-L64 PolarHBondContact O-N 2.94Å |
| 61 | A | 98.6 | Very high | 98.7 | Very high | 56 Ų | 56 | 57.3 Ų | 57.3 | 46% | 0.463 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E57 Y58 I63 L64 E65 | E57-A61 WeakPolarHBondContact O-CB 3.35Å; E57-A61 PolarHBondContact O-N 3.49Å; Y58-A61 WeakPolarHBondContact O-CB 3.36Å; Y58-A61 PolarHBondContact O-N 3.14Å; Y58-A61 VanDerWaalsContact O-N 3.09Å; A61-I63 PolarHBondContact O-N 2.9Å; A61-L64 PolarHBondContact O-N 2.94Å; A61-E65 WeakPolarHBondContact O-CB 3.37Å; A61-E65 PolarHBondContact O-N 3.35Å |
| 62 | E | 98.5 | Very high | 98.7 | Very high | 67 Ų | 67 | 58 Ų | 58 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.7 | -50 | 178.7 | -165.4 | 63.2 | -136.3 | 0 | 0 | 112 | Y58 L64 E65 L66 | Y58-E62 PolarHBondContact O-N 2.81Å; E62-L64 VanDerWaalsContact C-N 3.31Å; E62-L64 PolarHBondContact O-N 3.36Å; E62-E65 PolarHBondContact O-N 3.43Å; E62-L66 WeakPolarHBondContact O-CG 3.49Å; E62-L66 PolarHBondContact O-N 2.85Å; E62-L66 VanDerWaalsContact O-N 3.15Å |
| 63 | I | 98.6 | Very high | 98.6 | Very high | 35 Ų | 35 | 61 Ų | 61 | 18% | 0.179 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 177.9 | -67.4 | 168.8 | 0 | 0 | 0 | 111 | L59 A61 A67 L84 I88 L94 L98 | L59-I63 WeakPolarHBondContact O-CG1 3.48Å; L59-I63 PolarHBondContact O-N 3.33Å; L59-I63 VanDerWaalsContact O-N 3.16Å; A61-I63 PolarHBondContact O-N 2.9Å; I63-A67 WeakPolarHBondContact O-CB 3.33Å; I63-A67 PolarHBondContact O-N 3Å; I63-L84 HydrophobicContact CG2-CD2 3.78Å; I63-I88 HydrophobicContact CG2-CD1 4.29Å; I63-I88 HydrophobicContact CG2-CG1 4.46Å; I63-L94 HydrophobicContact CD1-CD2 4.21Å; I63-L94 HydrophobicContact CG1-CD1 3.88Å; I63-L94 HydrophobicContact CG1-CD2 3.82Å; I63-L98 HydrophobicContact CD1-CD1 4.41Å |
| 64 | L | 98.8 | Very high | 98.5 | Very high | 88 Ų | 88 | 64.7 Ų | 64.7 | 46% | 0.461 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.1 | -35.7 | -179.9 | -74.3 | 176.6 | 0 | 0 | 0 | 112.8 | T60 A61 E62 G68 I79 | T60-L64 HydrophobicContact CG2-CD1 3.85Å; T60-L64 HydrophobicContact CG2-CG 4.35Å; T60-L64 WeakPolarHBondContact O-CB 3.36Å; T60-L64 VanDerWaalsContact O-CG 3.22Å; T60-L64 WeakPolarHBondContact O-CG 3.25Å; T60-L64 PolarHBondContact O-N 2.94Å; A61-L64 PolarHBondContact O-N 2.94Å; E62-L64 VanDerWaalsContact C-N 3.31Å; E62-L64 PolarHBondContact O-N 3.36Å; L64-G68 WeakPolarHBondContact O-CA 3.32Å; L64-G68 PolarHBondContact O-N 3.25Å; L64-I79 HydrophobicContact CD2-CD1 4.07Å |
| 65 | E | 98.6 | Very high | 98.5 | Very high | 119 Ų | 119 | 72.6 Ų | 72.6 | 56% | 0.556 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.5 | -54.6 | 175.4 | -178.3 | 62.3 | -156.8 | 0 | 0 | 110 | A61 E62 A67 G68 N69 | A61-E65 WeakPolarHBondContact O-CB 3.37Å; A61-E65 PolarHBondContact O-N 3.35Å; E62-E65 PolarHBondContact O-N 3.43Å; E65-A67 PolarHBondContact O-N 3.28Å; E65-G68 WeakPolarHBondContact O-CA 3.43Å; E65-G68 PolarHBondContact O-N 2.7Å; E65-G68 VanDerWaalsContact O-N 3.14Å; E65-N69 PolarHBondContact O-N 3.45Å; E65-N69 PolarHBondContact O-ND2 3.14Å |
| 66 | L | 98.6 | Very high | 98.4 | Very high | 43 Ų | 43 | 75.3 Ų | 75.3 | 23% | 0.225 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 179.5 | -63.2 | 178.4 | 0 | 0 | 0 | 112.3 | E62 G68 N69 A70 A87 D91 L94 | E62-L66 WeakPolarHBondContact O-CG 3.49Å; E62-L66 PolarHBondContact O-N 2.85Å; E62-L66 VanDerWaalsContact O-N 3.15Å; L66-G68 VanDerWaalsContact C-N 3.31Å; L66-G68 PolarHBondContact O-N 3.05Å; L66-N69 PolarHBondContact O-N 2.98Å; L66-A70 PolarHBondContact O-N 3.02Å; L66-A87 HydrophobicContact CB-CB 3.65Å; L66-D91 HydrophobicContact CD1-CB 4.01Å; L66-L94 HydrophobicContact CD1-CD1 3.71Å |
| 67 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69.5 | -30.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I63 E65 S71 I79 H83 L84 A87 | I63-A67 WeakPolarHBondContact O-CB 3.33Å; I63-A67 PolarHBondContact O-N 3Å; E65-A67 PolarHBondContact O-N 3.28Å; A67-S71 WeakPolarHBondContact O-CB 3.22Å; A67-S71 PolarHBondContact O-N 3.33Å; A67-I79 HydrophobicContact CB-CD1 4.16Å; A67-I79 HydrophobicContact CB-CG1 4.49Å; A67-I79 HydrophobicContact CB-CG2 4.03Å; A67-H83 HydrophobicContact CB-CB 4.47Å; A67-L84 HydrophobicContact CB-CD2 3.8Å; A67-A87 HydrophobicContact CB-CB 4.07Å |
| 68 | G | 98.8 | Very high | 98.4 | Very high | 26 Ų | 26 | 86.6 Ų | 86.6 | 27% | 0.268 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L64 E65 L66 S71 R72 | L64-G68 WeakPolarHBondContact O-CA 3.32Å; L64-G68 PolarHBondContact O-N 3.25Å; E65-G68 WeakPolarHBondContact O-CA 3.43Å; E65-G68 PolarHBondContact O-N 2.7Å; E65-G68 VanDerWaalsContact O-N 3.14Å; L66-G68 VanDerWaalsContact C-N 3.31Å; L66-G68 PolarHBondContact O-N 3.05Å; G68-S71 WeakPolarHBondContact O-CB 3.31Å; G68-S71 PolarHBondContact O-N 3.28Å; G68-R72 PolarHBondContact O-N 2.94Å |
| 69 | N | 98.5 | Very high | 98.4 | Very high | 67 Ų | 67 | 83.1 Ų | 83.1 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60 | -50 | 174.2 | -67.8 | -25.4 | 0 | 0 | 0 | 111.2 | E65 L66 S71 R72 D73 | E65-N69 PolarHBondContact O-N 3.45Å; E65-N69 PolarHBondContact O-ND2 3.14Å; L66-N69 PolarHBondContact O-N 2.98Å; N69-S71 VanDerWaalsContact C-N 3.26Å; N69-S71 PolarHBondContact O-N 3.16Å; N69-R72 WeakPolarHBondContact O-CA 3.22Å; N69-R72 WeakPolarHBondContact O-CB 3.35Å; N69-R72 PolarHBondContact O-N 3.09Å; N69-D73 VanDerWaalsContact O-CG 3.29Å; N69-D73 PolarHBondContact O-N 2.89Å |
| 70 | A | 98.3 | Very high | 98.4 | Very high | 13 Ų | 13 | 83.4 Ų | 83.4 | 11% | 0.107 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.7 | -32.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | L66 N74 H83 L86 | L66-A70 PolarHBondContact O-N 3.02Å; A70-N74 PolarHBondContact O-N 3.31Å; A70-N74 PolarHBondContact O-ND2 3.46Å; A70-H83 HydrophobicContact CB-CB 4.27Å; A70-L86 HydrophobicContact CB-CB 4.23Å |
| 71 | S | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 83.4 Ų | 83.4 | 2% | 0.021 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 172.4 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | A67 G68 N69 N74 K75 K76 R78 H83 | A67-S71 WeakPolarHBondContact O-CB 3.22Å; A67-S71 PolarHBondContact O-N 3.33Å; G68-S71 WeakPolarHBondContact O-CB 3.31Å; G68-S71 PolarHBondContact O-N 3.28Å; N69-S71 VanDerWaalsContact C-N 3.26Å; N69-S71 PolarHBondContact O-N 3.16Å; S71-N74 CarbonylContact O-C 3.45Å; S71-N74 PolarHBondContact O-N 3.21Å; S71-K75 PolarHBondContact O-N 3.38Å; S71-K76 CarbonylContact C-O 3.51Å; S71-K76 VanDerWaalsContact C-O 3.27Å; S71-K76 PolarHBondContact O-N 2.98Å; S71-K76 PolarHBondContact OG-O 3.38Å; S71-R78 PolarHBondContact OG-O 3.38Å; S71-H83 WeakPolarHBondContact CA-ND1 3.38Å; S71-H83 WeakPolarHBondContact CB-ND1 3.47Å; S71-H83 PolarHBondContact OG-CE1 3.43Å; S71-H83 VanDerWaalsContact OG-CE1 3.3Å; S71-H83 PolarHBondContact OG-ND1 3.36Å |
| 72 | R | 98.4 | Very high | 98.4 | Very high | 192 Ų | 192 | 83.8 Ų | 83.8 | 73% | 0.725 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64 | -42.4 | -179.1 | -166 | -179.6 | -160.5 | 173.1 | 4.2 | 111.8 | G68 N69 N74 K75 | G68-R72 PolarHBondContact O-N 2.94Å; N69-R72 WeakPolarHBondContact O-CA 3.22Å; N69-R72 WeakPolarHBondContact O-CB 3.35Å; N69-R72 PolarHBondContact O-N 3.09Å; R72-N74 PolarHBondContact O-N 2.84Å; R72-K75 WeakPolarHBondContact O-CA 3.48Å; R72-K75 PolarHBondContact O-N 3.19Å |
| 73 | D | 97.3 | Very high | 98.4 | Very high | 126 Ų | 126 | 80.7 Ų | 80.7 | 67% | 0.674 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62 | -36 | 176.8 | -65.5 | -18.6 | 0 | 0 | 0 | 111.7 | N69 K75 | N69-D73 VanDerWaalsContact O-CG 3.29Å; N69-D73 PolarHBondContact O-N 2.89Å; D73-K75 PolarHBondContact O-N 2.99Å |
| 74 | N | 97.1 | Very high | 98.4 | Very high | 78 Ų | 78 | 81.5 Ų | 81.5 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 10.1 | 172.5 | -69.5 | -41.8 | 0 | 0 | 0 | 113.6 | A70 S71 R72 K76 H83 | A70-N74 PolarHBondContact O-N 3.31Å; A70-N74 PolarHBondContact O-ND2 3.46Å; S71-N74 CarbonylContact O-C 3.45Å; S71-N74 PolarHBondContact O-N 3.21Å; R72-N74 PolarHBondContact O-N 2.84Å; N74-K76 PolarHBondContact O-N 3.09Å; N74-H83 PolarHBondContact ND2-CD2 3.38Å |
| 75 | K | 98.2 | Very high | 98.4 | Very high | 203 Ų | 203 | 78.2 Ų | 78.2 | 88% | 0.883 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 34.8 | -179.2 | -54.5 | 177 | -178.6 | 178.7 | 0 | 113 | S71 R72 D73 | S71-K75 PolarHBondContact O-N 3.38Å; R72-K75 WeakPolarHBondContact O-CA 3.48Å; R72-K75 PolarHBondContact O-N 3.19Å; D73-K75 PolarHBondContact O-N 2.99Å |
| 76 | K | 98.3 | Very high | 98.4 | Very high | 110 Ų | 110 | 73.7 Ų | 73.7 | 48% | 0.478 | 36% | 0.36 | S | S | . | . | trans | -119.7 | 147.5 | 178.6 | -64.6 | -175.1 | -175.6 | -174.9 | 0 | 111.1 | S71 N74 | S71-K76 CarbonylContact C-O 3.51Å; S71-K76 VanDerWaalsContact C-O 3.27Å; S71-K76 PolarHBondContact O-N 2.98Å; S71-K76 PolarHBondContact OG-O 3.38Å; N74-K76 PolarHBondContact O-N 3.09Å | ||
| 77 | T | 97.8 | Very high | 98.4 | Very high | 154 Ų | 154 | 72 Ų | 72 | 95% | 0.945 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -95.5 | -11.9 | 177.4 | 56 | 0 | 0 | 0 | 0 | 113.7 | ||
| 78 | R | 98.7 | Very high | 98.4 | Very high | 193 Ų | 193 | 72.4 Ų | 72.4 | 73% | 0.728 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -113.6 | 126.2 | -178 | -176.9 | 178.7 | -65.3 | 136.5 | 1.3 | 110.8 | S71 I80 H83 | S71-R78 PolarHBondContact OG-O 3.38Å; R78-I80 PolarHBondContact O-N 2.88Å; R78-H83 PolarHBondContact O-CE1 3.43Å; R78-H83 VanDerWaalsContact O-CE1 3.28Å; R78-H83 PolarHBondContact O-ND1 3.37Å |
| 79 | I | 98.8 | Very high | 98.4 | Very high | 63 Ų | 63 | 73.2 Ų | 73.2 | 32% | 0.323 | 35% | 0.349 | S | S | . | . | trans | -64.6 | 129.2 | 169.7 | -62.2 | 173.4 | 0 | 0 | 0 | 109.6 | L64 A67 H83 L84 | L64-I79 HydrophobicContact CD2-CD1 4.07Å; A67-I79 HydrophobicContact CB-CD1 4.16Å; A67-I79 HydrophobicContact CB-CG1 4.49Å; A67-I79 HydrophobicContact CB-CG2 4.03Å; I79-H83 HydrophobicContact CG2-CB 4.3Å; I79-L84 HydrophobicContact CG2-CD2 4.19Å; I79-L84 HydrophobicContact CG2-CG 4.12Å | ||
| 80 | I | 98.7 | Very high | 98.3 | Very high | 61 Ų | 61 | 75.6 Ų | 75.6 | 31% | 0.313 | 36% | 0.362 | S | S | . | . | trans | -125.1 | 168.8 | 173.6 | 64.2 | 167.3 | 0 | 0 | 0 | 109.2 | R78 R82 H83 L84 | R78-I80 PolarHBondContact O-N 2.88Å; I80-R82 HydrophobicContact CD1-CB 3.98Å; I80-R82 HydrophobicContact CG1-CB 4.08Å; I80-R82 PolarHBondContact O-N 3.31Å; I80-R82 VanDerWaalsContact O-N 3.09Å; I80-H83 PolarHBondContact N-ND1 3.18Å; I80-H83 WeakPolarHBondContact O-CB 3.41Å; I80-H83 PolarHBondContact O-N 3.24Å; I80-L84 PolarHBondContact O-N 2.93Å | ||
| 81 | P | 98.8 | Very high | 98.3 | Very high | 54 Ų | 54 | 77.3 Ų | 77.3 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -55.7 | -32.1 | -177.8 | -28.5 | 36.6 | 0 | 0 | 0 | 114.8 | H83 L84 Q85 I103 A104 Q105 | P81-H83 VanDerWaalsContact C-N 3.32Å; P81-H83 PolarHBondContact O-N 3.23Å; P81-L84 PolarHBondContact O-N 2.98Å; P81-Q85 PolarHBondContact O-N 3.5Å; P81-I103 HydrophobicContact CB-CG2 4.36Å; P81-A104 WeakPolarHBondContact CB-O 3.44Å; P81-Q105 HydrophobicContact CB-CB 4Å; P81-Q105 HydrophobicContact CG-CB 4.18Å |
| 82 | R | 98.6 | Very high | 98.3 | Very high | 65 Ų | 65 | 85 Ų | 85 | 25% | 0.245 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.7 | -41.7 | 172.2 | 179.9 | 56.1 | 176 | 177.2 | -1 | 112.8 | I80 Q85 L86 G106 V108 | I80-R82 HydrophobicContact CD1-CB 3.98Å; I80-R82 HydrophobicContact CG1-CB 4.08Å; I80-R82 PolarHBondContact O-N 3.31Å; I80-R82 VanDerWaalsContact O-N 3.09Å; R82-Q85 PolarHBondContact O-N 3.5Å; R82-L86 HydrophobicContact CG-CD1 4.27Å; R82-L86 HydrophobicContact CG-CG 4.47Å; R82-L86 VanDerWaalsContact O-CG 3.31Å; R82-L86 WeakPolarHBondContact O-CG 3.48Å; R82-L86 PolarHBondContact O-N 2.93Å; R82-G106 WeakPolarHBondContact CD-O 3.42Å; R82-G106 PolarHBondContact NH1-O 3.41Å; R82-V108 VanDerWaalsContact NH1-N 3.14Å; R82-V108 PolarHBondContact NH1-O 3.39Å; R82-V108 PolarHBondContact NH2-O 3.06Å |
| 83 | H | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 83.2 Ų | 83.2 | 1% | 0.009 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -69.4 | -37.9 | -179.1 | -53.9 | 158.4 | 0 | 0 | 0 | 111.1 | A67 A70 S71 N74 R78 I79 I80 P81 L86 A87 | A67-H83 HydrophobicContact CB-CB 4.47Å; A70-H83 HydrophobicContact CB-CB 4.27Å; S71-H83 WeakPolarHBondContact CA-ND1 3.38Å; S71-H83 WeakPolarHBondContact CB-ND1 3.47Å; S71-H83 PolarHBondContact OG-CE1 3.43Å; S71-H83 VanDerWaalsContact OG-CE1 3.3Å; S71-H83 PolarHBondContact OG-ND1 3.36Å; N74-H83 PolarHBondContact ND2-CD2 3.38Å; R78-H83 PolarHBondContact O-CE1 3.43Å; R78-H83 VanDerWaalsContact O-CE1 3.28Å; R78-H83 PolarHBondContact O-ND1 3.37Å; I79-H83 HydrophobicContact CG2-CB 4.3Å; I80-H83 PolarHBondContact N-ND1 3.18Å; I80-H83 WeakPolarHBondContact O-CB 3.41Å; I80-H83 PolarHBondContact O-N 3.24Å; P81-H83 VanDerWaalsContact C-N 3.32Å; P81-H83 PolarHBondContact O-N 3.23Å; H83-L86 PolarHBondContact O-N 3.33Å; H83-A87 VanDerWaalsContact O-CB 3.31Å; H83-A87 WeakPolarHBondContact O-CB 3.49Å; H83-A87 PolarHBondContact O-N 3.49Å |
| 84 | L | 98.8 | Very high | 98.3 | Very high | 51 Ų | 51 | 77.5 Ų | 77.5 | 27% | 0.267 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 172.5 | -65.5 | 171.1 | 0 | 0 | 0 | 111.4 | I63 A67 I79 I80 P81 A87 I88 I103 | I63-L84 HydrophobicContact CG2-CD2 3.78Å; A67-L84 HydrophobicContact CB-CD2 3.8Å; I79-L84 HydrophobicContact CG2-CD2 4.19Å; I79-L84 HydrophobicContact CG2-CG 4.12Å; I80-L84 PolarHBondContact O-N 2.93Å; P81-L84 PolarHBondContact O-N 2.98Å; L84-A87 PolarHBondContact O-N 3.02Å; L84-I88 WeakPolarHBondContact O-CB 3.48Å; L84-I88 WeakPolarHBondContact O-CD1 3.44Å; L84-I88 WeakPolarHBondContact O-CG1 3.41Å; L84-I88 PolarHBondContact O-N 3.02Å; L84-I103 HydrophobicContact CB-CD1 4.41Å |
| 85 | Q | 98.6 | Very high | 98.4 | Very high | 19 Ų | 19 | 76.9 Ų | 76.9 | 9% | 0.089 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 177.1 | -178.5 | 75.2 | 1.5 | 0 | 0 | 112.1 | P81 R82 R89 I103 G106 G107 | P81-Q85 PolarHBondContact O-N 3.5Å; R82-Q85 PolarHBondContact O-N 3.5Å; Q85-R89 HydrophobicContact CG-CG 4.2Å; Q85-R89 VanDerWaalsContact O-CB 3.32Å; Q85-R89 WeakPolarHBondContact O-CB 3.4Å; Q85-R89 VanDerWaalsContact O-CG 3.26Å; Q85-R89 WeakPolarHBondContact O-CG 3.5Å; Q85-R89 PolarHBondContact O-N 3.16Å; Q85-I103 HydrophobicContact CB-CD1 4.43Å; Q85-G106 WeakPolarHBondContact CB-O 3.4Å; Q85-G106 WeakPolarHBondContact CG-O 3.41Å; Q85-G107 WeakPolarHBondContact CG-O 3.41Å; Q85-G107 PolarHBondContact NE2-O 3.08Å; Q85-G107 VanDerWaalsContact NE2-O 3.13Å |
| 86 | L | 98.4 | Very high | 98.4 | Very high | 25 Ų | 25 | 75.8 Ų | 75.8 | 13% | 0.131 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 177.9 | -70.3 | 179 | 0 | 0 | 0 | 111.4 | A70 R82 H83 N90 L109 | A70-L86 HydrophobicContact CB-CB 4.23Å; R82-L86 HydrophobicContact CG-CD1 4.27Å; R82-L86 HydrophobicContact CG-CG 4.47Å; R82-L86 VanDerWaalsContact O-CG 3.31Å; R82-L86 WeakPolarHBondContact O-CG 3.48Å; R82-L86 PolarHBondContact O-N 2.93Å; H83-L86 PolarHBondContact O-N 3.33Å; L86-N90 WeakPolarHBondContact O-CB 3.45Å; L86-N90 PolarHBondContact O-N 3.26Å; L86-N90 VanDerWaalsContact O-N 3.16Å; L86-N90 PolarHBondContact O-ND2 3.29Å; L86-L109 HydrophobicContact CD2-CD2 3.68Å |
| 87 | A | 98.4 | Very high | 98.4 | Very high | 8 Ų | 8 | 75.8 Ų | 75.8 | 7% | 0.066 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.9 | -52.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | L66 A67 H83 L84 R89 D91 | L66-A87 HydrophobicContact CB-CB 3.65Å; A67-A87 HydrophobicContact CB-CB 4.07Å; H83-A87 VanDerWaalsContact O-CB 3.31Å; H83-A87 WeakPolarHBondContact O-CB 3.49Å; H83-A87 PolarHBondContact O-N 3.49Å; L84-A87 PolarHBondContact O-N 3.02Å; A87-R89 PolarHBondContact O-N 3.01Å; A87-D91 WeakPolarHBondContact O-CB 3.3Å; A87-D91 PolarHBondContact O-N 3.43Å |
| 88 | I | 98.4 | Very high | 98.4 | Very high | 7 Ų | 7 | 70.3 Ų | 70.3 | 4% | 0.036 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.6 | -37.8 | -175.4 | -71.6 | 161.9 | 0 | 0 | 0 | 112.2 | I63 L84 L94 N95 L98 I103 | I63-I88 HydrophobicContact CG2-CD1 4.29Å; I63-I88 HydrophobicContact CG2-CG1 4.46Å; L84-I88 WeakPolarHBondContact O-CB 3.48Å; L84-I88 WeakPolarHBondContact O-CD1 3.44Å; L84-I88 WeakPolarHBondContact O-CG1 3.41Å; L84-I88 PolarHBondContact O-N 3.02Å; I88-L94 HydrophobicContact CG2-CB 4.38Å; I88-N95 WeakPolarHBondContact O-CA 3.44Å; I88-N95 WeakPolarHBondContact O-CB 3.5Å; I88-N95 PolarHBondContact O-N 3.07Å; I88-N95 VanDerWaalsContact O-N 3.14Å; I88-L98 HydrophobicContact CD1-CD1 3.6Å; I88-L98 HydrophobicContact CG1-CD1 3.95Å; I88-L98 HydrophobicContact CG2-CB 3.99Å; I88-L98 HydrophobicContact CG2-CD1 3.82Å; I88-L98 HydrophobicContact CG2-CG 4.46Å; I88-I103 HydrophobicContact CB-CD1 4.49Å; I88-I103 HydrophobicContact CD1-CD1 3.46Å; I88-I103 VanDerWaalsContact CD1-CD1 3.46Å |
| 89 | R | 98.4 | Very high | 98.4 | Very high | 44 Ų | 44 | 63.5 Ų | 63.5 | 17% | 0.166 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -83.4 | -22.7 | -175.7 | -61.4 | -56.9 | 173.6 | -156.7 | -4.7 | 114 | Q85 A87 N95 L98 V101 L109 | Q85-R89 HydrophobicContact CG-CG 4.2Å; Q85-R89 VanDerWaalsContact O-CB 3.32Å; Q85-R89 WeakPolarHBondContact O-CB 3.4Å; Q85-R89 VanDerWaalsContact O-CG 3.26Å; Q85-R89 WeakPolarHBondContact O-CG 3.5Å; Q85-R89 PolarHBondContact O-N 3.16Å; A87-R89 PolarHBondContact O-N 3.01Å; R89-N95 WeakPolarHBondContact CD-OD1 3.48Å; R89-N95 PolarHBondContact NH1-OD1 3.46Å; R89-L98 PolarHBondContact NH1-O 3.02Å; R89-L98 PolarHBondContact NH2-O 2.88Å; R89-L98 VanDerWaalsContact NH2-O 3.11Å; R89-V101 PolarHBondContact NH2-O 2.8Å; R89-L109 HydrophobicContact CB-CD1 3.68Å; R89-L109 HydrophobicContact CB-CD2 3.92Å; R89-L109 HydrophobicContact CB-CG 3.66Å |
| 90 | N | 97.6 | Very high | 98.3 | Very high | 117 Ų | 117 | 64.5 Ų | 64.5 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -85.4 | -18.2 | 174.2 | -73.3 | -52.2 | 0 | 0 | 0 | 113 | L86 | L86-N90 WeakPolarHBondContact O-CB 3.45Å; L86-N90 PolarHBondContact O-N 3.26Å; L86-N90 VanDerWaalsContact O-N 3.16Å; L86-N90 PolarHBondContact O-ND2 3.29Å |
| 91 | D | 98.4 | Very high | 98.3 | Very high | 48 Ų | 48 | 65 Ų | 65 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -92.2 | 128.2 | 174.6 | -178.8 | -97.4 | 0 | 0 | 0 | 111.3 | L66 A87 E93 L94 N95 | L66-D91 HydrophobicContact CD1-CB 4.01Å; A87-D91 WeakPolarHBondContact O-CB 3.3Å; A87-D91 PolarHBondContact O-N 3.43Å; D91-E93 PolarHBondContact OD1-N 3.1Å; D91-L94 HydrophobicContact CB-CB 4.12Å; D91-L94 HydrophobicContact CB-CD1 4.13Å; D91-L94 HydrophobicContact CB-CG 4.36Å; D91-L94 VanDerWaalsContact OD1-CB 3.29Å; D91-L94 WeakPolarHBondContact OD1-CB 3.48Å; D91-L94 VanDerWaalsContact OD1-CG 3.24Å; D91-L94 WeakPolarHBondContact OD1-CG 3.45Å; D91-L94 PolarHBondContact OD1-N 3.44Å; D91-N95 WeakPolarHBondContact O-CB 3.46Å; D91-N95 PolarHBondContact O-N 3.33Å |
| 92 | E | 98.1 | Very high | 98.3 | Very high | 166 Ų | 166 | 68.9 Ų | 68.9 | 78% | 0.776 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.4 | -44.4 | -173.6 | -173.8 | 179.7 | 171.3 | 0 | 0 | 112.2 | K96 | E92-K96 WeakPolarHBondContact O-CB 3.18Å; E92-K96 PolarHBondContact O-N 3.03Å |
| 93 | E | 98.4 | Very high | 98.3 | Very high | 153 Ų | 153 | 67.4 Ų | 67.4 | 72% | 0.715 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -71.1 | -44.6 | -174.9 | -61 | -168.3 | 142.6 | 0 | 0 | 111.2 | D91 K96 L97 | D91-E93 PolarHBondContact OD1-N 3.1Å; E93-K96 PolarHBondContact O-N 3.5Å; E93-L97 WeakPolarHBondContact O-CB 3.18Å; E93-L97 PolarHBondContact O-N 3.07Å |
| 94 | L | 98.4 | Very high | 98.2 | Very high | 7 Ų | 7 | 71 Ų | 71 | 4% | 0.037 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 175.6 | -67.5 | 176.9 | 0 | 0 | 0 | 111.8 | I63 L66 I88 D91 K96 L97 L98 | I63-L94 HydrophobicContact CD1-CD2 4.21Å; I63-L94 HydrophobicContact CG1-CD1 3.88Å; I63-L94 HydrophobicContact CG1-CD2 3.82Å; L66-L94 HydrophobicContact CD1-CD1 3.71Å; I88-L94 HydrophobicContact CG2-CB 4.38Å; D91-L94 HydrophobicContact CB-CB 4.12Å; D91-L94 HydrophobicContact CB-CD1 4.13Å; D91-L94 HydrophobicContact CB-CG 4.36Å; D91-L94 VanDerWaalsContact OD1-CB 3.29Å; D91-L94 WeakPolarHBondContact OD1-CB 3.48Å; D91-L94 VanDerWaalsContact OD1-CG 3.24Å; D91-L94 WeakPolarHBondContact OD1-CG 3.45Å; D91-L94 PolarHBondContact OD1-N 3.44Å; L94-K96 VanDerWaalsContact C-N 3.29Å; L94-K96 PolarHBondContact O-N 3.4Å; L94-L97 PolarHBondContact O-N 3.01Å; L94-L98 WeakPolarHBondContact O-CB 3.5Å; L94-L98 PolarHBondContact O-N 3.02Å |
| 95 | N | 98.1 | Very high | 98.2 | Very high | 65 Ų | 65 | 76.7 Ų | 76.7 | 35% | 0.348 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 175.8 | -175.7 | 46.7 | 0 | 0 | 0 | 111 | I88 R89 D91 L98 G99 | I88-N95 WeakPolarHBondContact O-CA 3.44Å; I88-N95 WeakPolarHBondContact O-CB 3.5Å; I88-N95 PolarHBondContact O-N 3.07Å; I88-N95 VanDerWaalsContact O-N 3.14Å; R89-N95 WeakPolarHBondContact CD-OD1 3.48Å; R89-N95 PolarHBondContact NH1-OD1 3.46Å; D91-N95 WeakPolarHBondContact O-CB 3.46Å; D91-N95 PolarHBondContact O-N 3.33Å; N95-L98 CarbonylContact O-C 3.27Å; N95-G99 WeakPolarHBondContact O-CA 3.44Å; N95-G99 PolarHBondContact O-N 3.25Å |
| 96 | K | 98.4 | Very high | 98.2 | Very high | 180 Ų | 180 | 75.9 Ų | 75.9 | 78% | 0.783 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.8 | -47.8 | 174.7 | -174.5 | 176.8 | -177.7 | 177.3 | 0 | 111.6 | E92 E93 L94 L98 G99 | E92-K96 WeakPolarHBondContact O-CB 3.18Å; E92-K96 PolarHBondContact O-N 3.03Å; E93-K96 PolarHBondContact O-N 3.5Å; L94-K96 VanDerWaalsContact C-N 3.29Å; L94-K96 PolarHBondContact O-N 3.4Å; K96-L98 VanDerWaalsContact C-N 3.28Å; K96-L98 PolarHBondContact O-N 2.93Å; K96-G99 PolarHBondContact O-N 3.23Å |
| 97 | L | 98.2 | Very high | 98.2 | Very high | 110 Ų | 110 | 77.1 Ų | 77.1 | 58% | 0.576 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.4 | -37.7 | 178.6 | -179.3 | 62.1 | 0 | 0 | 0 | 112 | L59 E93 L94 | L59-L97 HydrophobicContact CD2-CD2 4.36Å; E93-L97 WeakPolarHBondContact O-CB 3.18Å; E93-L97 PolarHBondContact O-N 3.07Å; L94-L97 PolarHBondContact O-N 3.01Å |
| 98 | L | 98.2 | Very high | 98.2 | Very high | 39 Ų | 39 | 82.2 Ų | 82.2 | 20% | 0.204 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 27.5 | -175.8 | -57.5 | 177.3 | 0 | 0 | 0 | 112.7 | I63 I88 R89 L94 N95 K96 G100 V101 | I63-L98 HydrophobicContact CD1-CD1 4.41Å; I88-L98 HydrophobicContact CD1-CD1 3.6Å; I88-L98 HydrophobicContact CG1-CD1 3.95Å; I88-L98 HydrophobicContact CG2-CB 3.99Å; I88-L98 HydrophobicContact CG2-CD1 3.82Å; I88-L98 HydrophobicContact CG2-CG 4.46Å; R89-L98 PolarHBondContact NH1-O 3.02Å; R89-L98 PolarHBondContact NH2-O 2.88Å; R89-L98 VanDerWaalsContact NH2-O 3.11Å; L94-L98 WeakPolarHBondContact O-CB 3.5Å; L94-L98 PolarHBondContact O-N 3.02Å; N95-L98 CarbonylContact O-C 3.27Å; K96-L98 VanDerWaalsContact C-N 3.28Å; K96-L98 PolarHBondContact O-N 2.93Å; L98-G100 VanDerWaalsContact C-N 3.3Å; L98-G100 PolarHBondContact O-N 3Å; L98-V101 HydrophobicContact CB-CB 4.23Å; L98-V101 HydrophobicContact CB-CG2 4.38Å; L98-V101 HydrophobicContact CD2-CB 4.47Å; L98-V101 HydrophobicContact CD2-CG2 3.98Å; L98-V101 PolarHBondContact O-N 2.75Å; L98-V101 VanDerWaalsContact O-N 3.16Å |
| 99 | G | 97.3 | Very high | 98.1 | Very high | 50 Ų | 50 | 84.5 Ų | 84.5 | 52% | 0.515 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -37.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N95 K96 | N95-G99 WeakPolarHBondContact O-CA 3.44Å; N95-G99 PolarHBondContact O-N 3.25Å; K96-G99 PolarHBondContact O-N 3.23Å |
| 100 | G | 97.8 | Very high | 98 | Very high | 84 Ų | 84 | 87.8 Ų | 87.8 | 87% | 0.866 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 5.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L98 | L98-G100 VanDerWaalsContact C-N 3.3Å; L98-G100 PolarHBondContact O-N 3Å |
| 101 | V | 98.4 | Very high | 97.9 | Very high | 71 Ų | 71 | 88 Ų | 88 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | trans | -100.4 | 129.1 | -174.5 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | R89 L98 | R89-V101 PolarHBondContact NH2-O 2.8Å; L98-V101 HydrophobicContact CB-CB 4.23Å; L98-V101 HydrophobicContact CB-CG2 4.38Å; L98-V101 HydrophobicContact CD2-CB 4.47Å; L98-V101 HydrophobicContact CD2-CG2 3.98Å; L98-V101 PolarHBondContact O-N 2.75Å; L98-V101 VanDerWaalsContact O-N 3.16Å | ||
| 102 | T | 98.5 | Very high | 97.8 | Very high | 135 Ų | 135 | 91 Ų | 91 | 83% | 0.828 | 53% | 0.532 | S | S | * | . | trans | -92.9 | 124.8 | 171.9 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 103 | I | 98.3 | Very high | 97.7 | Very high | 35 Ų | 35 | 88.9 Ų | 88.9 | 18% | 0.179 | 52% | 0.522 | C | S | . | . | trans | -93 | 108.1 | 172.4 | -52.7 | -175.8 | 0 | 0 | 0 | 108.5 | P81 L84 Q85 I88 Q105 G106 | P81-I103 HydrophobicContact CB-CG2 4.36Å; L84-I103 HydrophobicContact CB-CD1 4.41Å; Q85-I103 HydrophobicContact CB-CD1 4.43Å; I88-I103 HydrophobicContact CB-CD1 4.49Å; I88-I103 HydrophobicContact CD1-CD1 3.46Å; I88-I103 VanDerWaalsContact CD1-CD1 3.46Å; I103-Q105 PolarHBondContact O-N 2.68Å; I103-G106 PolarHBondContact O-N 3.13Å | ||
| 104 | A | 98.6 | Very high | 97.6 | Very high | 76 Ų | 76 | 85.3 Ų | 85.3 | 63% | 0.628 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 135 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P81 G106 | P81-A104 WeakPolarHBondContact CB-O 3.44Å; A104-G106 PolarHBondContact O-N 3.4Å |
| 105 | Q | 98.5 | Very high | 97.4 | Very high | 171 Ų | 171 | 91.3 Ų | 91.3 | 80% | 0.799 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.6 | 17.5 | -177.2 | -56 | -64 | -37.6 | 0 | 0 | 115 | P81 I103 | P81-Q105 HydrophobicContact CB-CB 4Å; P81-Q105 HydrophobicContact CG-CB 4.18Å; I103-Q105 PolarHBondContact O-N 2.68Å |
| 106 | G | 97.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 94.3 Ų | 94.3 | 2% | 0.021 | 57% | 0.571 | C | S | . | * | trans | -80.7 | -28.4 | 180 | 0 | 0 | 0 | 0 | 0 | 115 | R82 Q85 I103 A104 | R82-G106 WeakPolarHBondContact CD-O 3.42Å; R82-G106 PolarHBondContact NH1-O 3.41Å; Q85-G106 WeakPolarHBondContact CB-O 3.4Å; Q85-G106 WeakPolarHBondContact CG-O 3.41Å; I103-G106 PolarHBondContact O-N 3.13Å; A104-G106 PolarHBondContact O-N 3.4Å | ||
| 107 | G | 97.9 | Very high | 97.1 | Very high | 52 Ų | 52 | 90.4 Ų | 90.4 | 54% | 0.536 | 56% | 0.558 | S | S | . | * | trans | 63.6 | -157.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q85 | Q85-G107 WeakPolarHBondContact CG-O 3.41Å; Q85-G107 PolarHBondContact NE2-O 3.08Å; Q85-G107 VanDerWaalsContact NE2-O 3.13Å | ||
| 108 | V | 97.9 | Very high | 96.9 | Very high | 114 Ų | 114 | 90.8 Ų | 90.8 | 69% | 0.691 | 57% | 0.567 | S | S | * | * | trans | -127.1 | 159.6 | -179.1 | -62 | 0 | 0 | 0 | 0 | 112 | R82 | R82-V108 VanDerWaalsContact NH1-N 3.14Å; R82-V108 PolarHBondContact NH1-O 3.39Å; R82-V108 PolarHBondContact NH2-O 3.06Å | ||
| 109 | L | 96.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 98.2 Ų | 98.2 | 29% | 0.288 | 60% | 0.598 | S | S | . | * | trans | -59.6 | 134.7 | 171.4 | -68.9 | -176.9 | 0 | 0 | 0 | 109.7 | L86 R89 N111 | L86-L109 HydrophobicContact CD2-CD2 3.68Å; R89-L109 HydrophobicContact CB-CD1 3.68Å; R89-L109 HydrophobicContact CB-CD2 3.92Å; R89-L109 HydrophobicContact CB-CG 3.66Å; L109-N111 PolarHBondContact O-N 3.29Å; L109-N111 VanDerWaalsContact O-N 3.1Å | ||
| 110 | P | 95.7 | Very high | 95.3 | Very high | 113 Ų | 113 | 106.2 Ų | 106.2 | 73% | 0.734 | 62% | 0.618 | S | S | * | * | trans | -61.9 | 114.7 | 173.3 | -19.6 | 33 | 0 | 0 | 0 | 109.5 | ||||
| 111 | N | 96.2 | Very high | 93.9 | Very high | 122 Ų | 122 | 108.1 Ų | 108.1 | 65% | 0.652 | 61% | 0.614 | S | S | * | * | trans | -149.8 | 129.5 | 176.9 | -177.9 | 49.3 | 0 | 0 | 0 | 109.4 | L109 | L109-N111 PolarHBondContact O-N 3.29Å; L109-N111 VanDerWaalsContact O-N 3.1Å | ||
| 112 | I | 96.6 | Very high | 92 | Very high | 111 Ų | 111 | 113.1 Ų | 113.1 | 57% | 0.569 | 63% | 0.632 | S | S | * | * | trans | -121.2 | 122.5 | 174.4 | -58.3 | 177.5 | 0 | 0 | 0 | 106.6 | A114 L116 L117 | I112-A114 PolarHBondContact O-N 3.07Å; I112-L116 HydrophobicContact CG2-CB 3.93Å; I112-L117 HydrophobicContact CB-CD2 4.39Å; I112-L117 HydrophobicContact CG2-CD2 3.88Å; I112-L117 HydrophobicContact CG2-CG 4.44Å | ||
| 113 | Q | 96.4 | Very high | 89.9 | Confident | 121 Ų | 121 | 111.3 Ų | 111.3 | 57% | 0.565 | 63% | 0.625 | S | S | * | * | trans | -60.7 | 135.3 | 175.6 | -66.6 | -64.5 | -18.4 | 0 | 0 | 109.7 | V115 L116 | Q113-V115 HydrophobicContact CB-CG1 4.14Å; Q113-V115 PolarHBondContact O-N 2.97Å; Q113-L116 HydrophobicContact CB-CD1 4.25Å; Q113-L116 HydrophobicContact CB-CG 4.32Å; Q113-L116 WeakPolarHBondContact O-CB 3.39Å; Q113-L116 PolarHBondContact O-N 3.27Å | ||
| 114 | A | 94.6 | Very high | 87.6 | Confident | 79 Ų | 79 | 117.6 Ų | 117.6 | 65% | 0.653 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -55.6 | -31.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I112 L116 L117 | I112-A114 PolarHBondContact O-N 3.07Å; A114-L116 PolarHBondContact O-N 3.03Å; A114-L117 WeakPolarHBondContact O-CB 3.46Å; A114-L117 PolarHBondContact O-N 3.3Å; A114-L117 VanDerWaalsContact O-N 3.14Å |
| 115 | V | 95.9 | Very high | 85.1 | Confident | 132 Ų | 132 | 122.1 Ų | 122.1 | 80% | 0.8 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -62.2 | -23.8 | 176.3 | 68.9 | 0 | 0 | 0 | 0 | 113.7 | Q113 | Q113-V115 HydrophobicContact CB-CG1 4.14Å; Q113-V115 PolarHBondContact O-N 2.97Å |
| 116 | L | 95.6 | Very high | 82.5 | Confident | 129 Ų | 129 | 122.6 Ų | 122.6 | 68% | 0.675 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -89.1 | -6.5 | 180 | -55.9 | 177.4 | 0 | 0 | 0 | 112.6 | I112 Q113 A114 | I112-L116 HydrophobicContact CG2-CB 3.93Å; Q113-L116 HydrophobicContact CB-CD1 4.25Å; Q113-L116 HydrophobicContact CB-CG 4.32Å; Q113-L116 WeakPolarHBondContact O-CB 3.39Å; Q113-L116 PolarHBondContact O-N 3.27Å; A114-L116 PolarHBondContact O-N 3.03Å |
| 117 | L | 93.8 | Very high | 79.8 | Confident | 97 Ų | 97 | 132 Ų | 132 | 51% | 0.508 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -75.3 | 141.9 | 179.2 | -64.1 | 176 | 0 | 0 | 0 | 110.4 | I112 A114 K119 | I112-L117 HydrophobicContact CB-CD2 4.39Å; I112-L117 HydrophobicContact CG2-CD2 3.88Å; I112-L117 HydrophobicContact CG2-CG 4.44Å; A114-L117 WeakPolarHBondContact O-CB 3.46Å; A114-L117 PolarHBondContact O-N 3.3Å; A114-L117 VanDerWaalsContact O-N 3.14Å; L117-K119 PolarHBondContact O-N 3.44Å |
| 118 | P | 93.1 | Very high | 77.5 | Confident | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 137.2 | 171.1 | -22.1 | 31.9 | 0 | 0 | 0 | 110.1 | K120 | P118-K120 PolarHBondContact O-N 3.07Š|
| 119 | K | 86 | Confident | 75 | Confident | 195 Ų | 195 | 137.8 Ų | 137.8 | 85% | 0.848 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 126.3 | 168.3 | -70.9 | -177.1 | 177.7 | -180 | 0 | 107.5 | L117 T121 | L117-K119 PolarHBondContact O-N 3.44Å; K119-T121 PolarHBondContact O-N 2.94Å |
| 120 | K | 76.9 | Confident | 72.6 | Confident | 218 Ų | 218 | 140.9 Ų | 140.9 | 95% | 0.948 | 75% | 0.752 | S | S | * | * | trans | -57.6 | 108 | 171.8 | -85.5 | -176.9 | 173.3 | -179.4 | 0 | 108.4 | P118 | P118-K120 PolarHBondContact O-N 3.07Š| ||
| 121 | T | 68 | Low | 70.2 | Confident | 125 Ų | 125 | 148.2 Ų | 148.2 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | trans | -86.7 | 129.7 | 160.4 | 47.6 | 0 | 0 | 0 | 0 | 107.4 | K119 S123 | K119-T121 PolarHBondContact O-N 2.94Å; T121-S123 PolarHBondContact O-N 3.42Å | ||
| 122 | E | 59.7 | Low | 68.9 | Low | 175 Ų | 175 | 149.5 Ų | 149.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -57 | 113.6 | 175.6 | -68.4 | -172 | 163.6 | 0 | 0 | 109.7 | H124 | E122-H124 PolarHBondContact O-N 3.13Å; E122-H124 VanDerWaalsContact O-N 3.14Å | ||
| 123 | S | 54 | Low | 67.5 | Low | 97 Ų | 97 | 151.5 Ų | 151.5 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | -73.1 | 103.2 | 173.2 | 48.7 | 0 | 0 | 0 | 0 | 108.4 | T121 H125 | T121-S123 PolarHBondContact O-N 3.42Å; S123-H125 VanDerWaalsContact C-N 3.32Å; S123-H125 PolarHBondContact O-N 2.9Å | ||
| 124 | H | 49.6 | Very low | 65.9 | Low | 168 Ų | 168 | 153.2 Ų | 153.2 | 78% | 0.778 | 80% | 0.802 | S | S | * | * | trans | -60.4 | 92.5 | 167.8 | -74.5 | -70.1 | 0 | 0 | 0 | 109.6 | E122 H126 | E122-H124 PolarHBondContact O-N 3.13Å; E122-H124 VanDerWaalsContact O-N 3.14Å; H124-H126 PolarHBondContact O-N 2.73Å; H124-H126 VanDerWaalsContact O-N 3.13Å | ||
| 125 | H | 45.1 | Very low | 64.2 | Low | 171 Ų | 171 | 157.6 Ų | 157.6 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -70.2 | 103.8 | 164.3 | -92.5 | -70.7 | 0 | 0 | 0 | 108.4 | S123 K127 | S123-H125 VanDerWaalsContact C-N 3.32Å; S123-H125 PolarHBondContact O-N 2.9Å; H125-K127 PolarHBondContact O-N 3.22Å | ||
| 126 | H | 43.8 | Very low | 62.2 | Low | 180 Ų | 180 | 159.2 Ų | 159.2 | 83% | 0.833 | 81% | 0.811 | S | S | * | * | trans | -59.6 | 107.4 | 160.8 | -80.4 | -69.3 | 0 | 0 | 0 | 108.3 | H124 A128 | H124-H126 PolarHBondContact O-N 2.73Å; H124-H126 VanDerWaalsContact O-N 3.13Å; H126-A128 PolarHBondContact O-N 2.97Å | ||
| 127 | K | 42.8 | Very low | 60 | Low | 200 Ų | 200 | 161.2 Ų | 161.2 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | trans | -58.7 | 107.1 | 164.9 | -91.7 | 178.2 | 172.2 | 177 | 0 | 107.7 | H125 Q129 | H125-K127 PolarHBondContact O-N 3.22Å; K127-Q129 PolarHBondContact O-N 2.88Å; K127-Q129 VanDerWaalsContact O-N 3.13Å | ||
| 128 | A | 48.4 | Very low | 57.5 | Low | 100 Ų | 100 | 165.8 Ų | 165.8 | 83% | 0.826 | 84% | 0.843 | S | S | * | * | trans | -62.1 | 112.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | H126 S130 | H126-A128 PolarHBondContact O-N 2.97Å; A128-S130 PolarHBondContact O-N 2.92Å | ||
| 129 | Q | 46.7 | Very low | 54.8 | Low | 188 Ų | 188 | 169.5 Ų | 169.5 | 88% | 0.879 | 85% | 0.848 | S | S | * | * | trans | -68.5 | 113.5 | 169.8 | -74.4 | 173.8 | -19 | 0 | 0 | 107.9 | K127 K131 | K127-Q129 PolarHBondContact O-N 2.88Å; K127-Q129 VanDerWaalsContact O-N 3.13Å; Q129-K131 PolarHBondContact O-N 3.19Å | ||
| 130 | S | 44.8 | Very low | 52.2 | Low | 119 Ų | 119 | 167.3 Ų | 167.3 | 83% | 0.832 | 85% | 0.848 | S | S | * | * | trans | -68.5 | 122.2 | 161.1 | -172 | 0 | 0 | 0 | 0 | 107.5 | A128 | A128-S130 PolarHBondContact O-N 2.92Š| ||
| 131 | K | 46.5 | Very low | 50 | Low | 267 Ų | 267 | 162.7 Ų | 162.7 | 100% | 1.161 | 84% | 0.839 | S | S | * | * | trans | -72.7 | 0 | 152.7 | -73.7 | -175.8 | 177.5 | -178.7 | 0 | 109.5 | Q129 | Q129-K131 PolarHBondContact O-N 3.19Š|
Retrieved 131 of 131 residues in 342.3 ms
(Link to these results)