| 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 | 38.8 | Very low | 50 | Low | 244 Ų | 244 | 127.9 Ų | 127.9 | 100% | 1.202 | 66% | 0.661 | S | S | * | * | 0 | 100.4 | 0 | -103.1 | 164.2 | 142.3 | 0 | 0 | 107.8 | V3 | M1-V3 PolarHBondContact O-N 3.5Š| |||
| 2 | S | 39.5 | Very low | 50.5 | Low | 121 Ų | 121 | 128.5 Ų | 128.5 | 85% | 0.846 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 120 | 177.5 | 42.9 | 0 | 0 | 0 | 0 | 109.4 | ||
| 3 | V | 46.9 | Very low | 50.9 | Low | 72 Ų | 72 | 120.9 Ų | 120.9 | 44% | 0.436 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 125.9 | 173.5 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | M1 E7 R15 | M1-V3 PolarHBondContact O-N 3.5Å; V3-E7 HydrophobicContact CG1-CB 3.9Å; V3-E7 WeakPolarHBondContact CG1-OE2 3.45Å; V3-R15 VanDerWaalsContact CG1-NH2 3.26Å |
| 4 | P | 56.5 | Low | 51.3 | Low | 82 Ų | 82 | 121.3 Ų | 121.3 | 53% | 0.532 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 146.6 | -177.1 | -6.2 | 7.5 | 0 | 0 | 0 | 112.3 | E6 E7 | P4-E6 PolarHBondContact O-N 2.81Å; P4-E7 PolarHBondContact O-N 3.41Å; P4-E7 VanDerWaalsContact O-N 3.11Å |
| 5 | E | 52.9 | Low | 51.6 | Low | 157 Ų | 157 | 118 Ų | 118 | 73% | 0.734 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -60.9 | -28.2 | -176.2 | -81.7 | -175.8 | 142.9 | 0 | 0 | 113.7 | E7 R8 | E5-E7 VanDerWaalsContact C-N 3.32Å; E5-E7 PolarHBondContact O-N 2.88Å; E5-R8 WeakPolarHBondContact O-CB 3.25Å; E5-R8 PolarHBondContact O-N 3.41Å; E5-R8 VanDerWaalsContact O-N 3.12Å |
| 6 | E | 51.5 | Low | 52.1 | Low | 167 Ų | 167 | 121.3 Ų | 121.3 | 78% | 0.78 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -64.1 | -31.9 | 174.9 | -82.5 | -179.6 | 142.1 | 0 | 0 | 113.4 | P4 R8 L9 | P4-E6 PolarHBondContact O-N 2.81Å; E6-R8 PolarHBondContact O-N 3.09Å; E6-L9 PolarHBondContact O-N 2.95Å |
| 7 | E | 50.6 | Low | 52.9 | Low | 89 Ų | 89 | 118.1 Ų | 118.1 | 42% | 0.416 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -73.2 | -13.1 | 175.6 | -88.3 | -176.6 | 150.1 | 0 | 0 | 112.9 | V3 P4 E5 R15 | V3-E7 HydrophobicContact CG1-CB 3.9Å; V3-E7 WeakPolarHBondContact CG1-OE2 3.45Å; P4-E7 PolarHBondContact O-N 3.41Å; P4-E7 VanDerWaalsContact O-N 3.11Å; E5-E7 VanDerWaalsContact C-N 3.32Å; E5-E7 PolarHBondContact O-N 2.88Å; E7-R15 WeakPolarHBondContact O-CD 3.33Å; E7-R15 PolarHBondContact O-NE 3.17Å |
| 8 | R | 50.6 | Low | 53.7 | Low | 172 Ų | 172 | 120.7 Ų | 120.7 | 65% | 0.649 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -77.8 | -23.6 | 174.7 | -74 | -175.7 | -172.6 | -172.4 | 2.7 | 113.8 | E5 E6 | E5-R8 WeakPolarHBondContact O-CB 3.25Å; E5-R8 PolarHBondContact O-N 3.41Å; E5-R8 VanDerWaalsContact O-N 3.12Å; E6-R8 PolarHBondContact O-N 3.09Å |
| 9 | L | 51.7 | Low | 54.5 | Low | 157 Ų | 157 | 116.5 Ų | 116.5 | 82% | 0.822 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -12.4 | -175.9 | -68.5 | 167.8 | 0 | 0 | 0 | 113 | E6 | E6-L9 PolarHBondContact O-N 2.95Š|
| 10 | L | 52.8 | Low | 55.3 | Low | 76 Ų | 76 | 111.5 Ų | 111.5 | 40% | 0.398 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -72.8 | 140.6 | 173.8 | -64 | 171.3 | 0 | 0 | 0 | 110.5 | L12 Q14 | L10-L12 PolarHBondContact O-N 3.28Å; L10-Q14 HydrophobicContact CB-CB 4.2Å |
| 11 | P | 57.8 | Low | 56 | Low | 70 Ų | 70 | 112.3 Ų | 112.3 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | trans | -55.3 | 143.9 | 174.2 | 22.3 | -30.7 | 0 | 0 | 0 | 110 | T13 Q14 R15 | P11-T13 PolarHBondContact O-N 2.84Å; P11-Q14 HydrophobicContact CG-CB 4.38Å; P11-Q14 PolarHBondContact O-N 3.13Å; P11-R15 PolarHBondContact O-N 3.26Å | ||
| 12 | L | 55.9 | Low | 57.7 | Low | 135 Ų | 135 | 103.9 Ų | 103.9 | 71% | 0.707 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -49.9 | -29.7 | -175.7 | -78.1 | 164.7 | 0 | 0 | 0 | 113.1 | L10 Q14 R15 W16 S20 | L10-L12 PolarHBondContact O-N 3.28Å; L12-Q14 PolarHBondContact O-N 3.01Å; L12-R15 PolarHBondContact O-N 2.97Å; L12-W16 PolarHBondContact O-N 3.03Å; L12-S20 PolarHBondContact O-OG 3.14Å; L12-S20 VanDerWaalsContact O-OG 3.11Å |
| 13 | T | 55.9 | Low | 59.6 | Low | 30 Ų | 30 | 103.5 Ų | 103.5 | 18% | 0.184 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -62.9 | -31.3 | 175.3 | 45.6 | 0 | 0 | 0 | 0 | 114.8 | P11 P17 S20 V319 | P11-T13 PolarHBondContact O-N 2.84Å; T13-P17 WeakPolarHBondContact O-CA 3.3Å; T13-S20 WeakPolarHBondContact CA-OG 3.49Å; T13-V319 HydrophobicContact CG2-CG2 3.98Å |
| 14 | Q | 56.7 | Low | 61.1 | Low | 126 Ų | 126 | 101.1 Ų | 101.1 | 59% | 0.589 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -86.9 | -31.9 | 177 | -123.1 | 169.5 | -6.5 | 0 | 0 | 111.8 | L10 P11 L12 | L10-Q14 HydrophobicContact CB-CB 4.2Å; P11-Q14 HydrophobicContact CG-CB 4.38Å; P11-Q14 PolarHBondContact O-N 3.13Å; L12-Q14 PolarHBondContact O-N 3.01Å |
| 15 | R | 56.3 | Low | 62 | Low | 72 Ų | 72 | 99 Ų | 99 | 27% | 0.272 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -76.4 | -34.9 | -178.7 | -158.1 | -179.3 | -170.2 | 172.3 | 7.9 | 113.2 | V3 E7 P11 L12 | V3-R15 VanDerWaalsContact CG1-NH2 3.26Å; E7-R15 WeakPolarHBondContact O-CD 3.33Å; E7-R15 PolarHBondContact O-NE 3.17Å; P11-R15 PolarHBondContact O-N 3.26Å; L12-R15 PolarHBondContact O-N 2.97Å |
| 16 | W | 58.8 | Low | 63.2 | Low | 170 Ų | 170 | 92.8 Ų | 92.8 | 64% | 0.644 | 45% | 0.454 | S | S | * | . | trans | -135.9 | 70.1 | 178.2 | -67.4 | 79 | 0 | 0 | 0 | 111.8 | L12 R18 A19 S20 | L12-W16 PolarHBondContact O-N 3.03Å; W16-R18 PolarHBondContact O-N 3.09Å; W16-A19 HydrophobicContact CB-CB 3.94Å; W16-A19 PolarHBondContact O-N 2.63Å; W16-A19 VanDerWaalsContact O-N 3.11Å; W16-S20 PolarHBondContact O-N 2.96Å; W16-S20 PolarHBondContact O-OG 2.88Å | ||
| 17 | P | 66.8 | Low | 64.7 | Low | 68 Ų | 68 | 88 Ų | 88 | 44% | 0.442 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.7 | -30 | -170.4 | 20.7 | -32 | 0 | 0 | 0 | 113.8 | T13 K21 | T13-P17 WeakPolarHBondContact O-CA 3.3Å; P17-K21 WeakPolarHBondContact O-CB 3.12Å; P17-K21 WeakPolarHBondContact O-CD 3.41Å; P17-K21 WeakPolarHBondContact O-CG 3.29Å; P17-K21 PolarHBondContact O-N 3Å |
| 18 | R | 66 | Low | 66.2 | Low | 164 Ų | 164 | 83.8 Ų | 83.8 | 62% | 0.619 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -77.6 | -45.1 | 176.5 | -61.1 | -173.9 | -170 | 174.9 | 9 | 112.5 | W16 K21 F22 E109 | W16-R18 PolarHBondContact O-N 3.09Å; R18-K21 PolarHBondContact O-N 2.97Å; R18-F22 WeakPolarHBondContact O-CB 3.32Å; R18-F22 PolarHBondContact O-N 3.27Å; R18-E109 IonicContact CZ-OE1 2.62Å; R18-E109 IonicContact NH1-OE1 2.83Å; R18-E109 PolarHBondContact NH1-OE1 3.37Å |
| 19 | A | 69.5 | Low | 67.7 | Low | 41 Ų | 41 | 76.2 Ų | 76.2 | 34% | 0.339 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.7 | -40.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | W16 F22 L23 | W16-A19 HydrophobicContact CB-CB 3.94Å; W16-A19 PolarHBondContact O-N 2.63Å; W16-A19 VanDerWaalsContact O-N 3.11Å; A19-F22 WeakPolarHBondContact O-CB 3.38Å; A19-F22 PolarHBondContact O-N 3.34Å; A19-L23 WeakPolarHBondContact O-CB 3.38Å; A19-L23 VanDerWaalsContact O-CG 3.3Å; A19-L23 WeakPolarHBondContact O-CG 3.47Å; A19-L23 PolarHBondContact O-N 3.43Å |
| 20 | S | 70.3 | Confident | 69.3 | Low | 17 Ų | 17 | 70.4 Ų | 70.4 | 12% | 0.119 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 174.2 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | L12 T13 W16 F22 L23 L24 | L12-S20 PolarHBondContact O-OG 3.14Å; L12-S20 VanDerWaalsContact O-OG 3.11Å; T13-S20 WeakPolarHBondContact CA-OG 3.49Å; W16-S20 PolarHBondContact O-N 2.96Å; W16-S20 PolarHBondContact O-OG 2.88Å; S20-F22 VanDerWaalsContact C-N 3.28Å; S20-F22 PolarHBondContact O-N 3.15Å; S20-L23 PolarHBondContact O-N 2.95Å; S20-L24 VanDerWaalsContact O-CB 3.27Å; S20-L24 WeakPolarHBondContact O-CB 3.42Å; S20-L24 WeakPolarHBondContact O-CD1 3.14Å; S20-L24 WeakPolarHBondContact O-CG 2.86Å; S20-L24 PolarHBondContact O-N 3.29Å |
| 21 | K | 70.8 | Confident | 70.9 | Confident | 128 Ų | 128 | 69.9 Ų | 69.9 | 56% | 0.557 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -57.2 | -42.6 | 174.6 | -76.7 | 174.5 | -172.5 | -176.2 | 0 | 112 | P17 R18 S25 | P17-K21 WeakPolarHBondContact O-CB 3.12Å; P17-K21 WeakPolarHBondContact O-CD 3.41Å; P17-K21 WeakPolarHBondContact O-CG 3.29Å; P17-K21 PolarHBondContact O-N 3Å; R18-K21 PolarHBondContact O-N 2.97Å; K21-S25 VanDerWaalsContact O-CB 3.26Å; K21-S25 WeakPolarHBondContact O-CB 3.31Å; K21-S25 PolarHBondContact O-N 3.33Å; K21-S25 PolarHBondContact O-OG 3.5Å; K21-S25 VanDerWaalsContact O-OG 3.09Å |
| 22 | F | 74.1 | Confident | 72.2 | Confident | 67 Ų | 67 | 66.6 Ų | 66.6 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.2 | -51 | 176.1 | -176.4 | -95.3 | 0 | 0 | 0 | 111.9 | R18 A19 S20 S25 G26 S101 | R18-F22 WeakPolarHBondContact O-CB 3.32Å; R18-F22 PolarHBondContact O-N 3.27Å; A19-F22 WeakPolarHBondContact O-CB 3.38Å; A19-F22 PolarHBondContact O-N 3.34Å; S20-F22 VanDerWaalsContact C-N 3.28Å; S20-F22 PolarHBondContact O-N 3.15Å; F22-S25 PolarHBondContact O-N 3.18Å; F22-S25 PolarHBondContact O-OG 3.05Å; F22-G26 PolarHBondContact O-N 3.03Å; F22-S101 VanDerWaalsContact CE2-CB 3.49Å |
| 23 | L | 78.4 | Confident | 73.6 | Confident | 114 Ų | 114 | 60.4 Ų | 60.4 | 60% | 0.597 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 179.6 | -70.6 | 171.3 | 0 | 0 | 0 | 112.1 | A19 S20 S25 G26 C27 | A19-L23 WeakPolarHBondContact O-CB 3.38Å; A19-L23 VanDerWaalsContact O-CG 3.3Å; A19-L23 WeakPolarHBondContact O-CG 3.47Å; A19-L23 PolarHBondContact O-N 3.43Å; S20-L23 PolarHBondContact O-N 2.95Å; L23-S25 PolarHBondContact O-N 3.07Å; L23-G26 PolarHBondContact O-N 2.76Å; L23-C27 WeakPolarHBondContact O-CB 3.4Å; L23-C27 PolarHBondContact O-N 3.09Å; L23-C27 PolarHBondContact O-SG 2.94Å; L23-C27 VanDerWaalsContact O-SG 3.32Å |
| 24 | L | 78.1 | Confident | 75.2 | Confident | 21 Ų | 21 | 62.2 Ų | 62.2 | 11% | 0.11 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 176.3 | -67.1 | 167 | 0 | 0 | 0 | 111 | S20 G26 C27 A28 Y310 I313 S317 | S20-L24 VanDerWaalsContact O-CB 3.27Å; S20-L24 WeakPolarHBondContact O-CB 3.42Å; S20-L24 WeakPolarHBondContact O-CD1 3.14Å; S20-L24 WeakPolarHBondContact O-CG 2.86Å; S20-L24 PolarHBondContact O-N 3.29Å; L24-G26 VanDerWaalsContact C-N 3.34Å; L24-G26 PolarHBondContact O-N 3.4Å; L24-C27 PolarHBondContact O-N 2.91Å; L24-A28 WeakPolarHBondContact O-CB 3.2Å; L24-A28 PolarHBondContact O-N 3.16Å; L24-Y310 HydrophobicContact CB-CE2 4.43Å; L24-I313 HydrophobicContact CD2-CB 4.2Å; L24-I313 HydrophobicContact CD2-CG2 3.16Å; L24-I313 HydrophobicContact CG-CG2 4.48Å; L24-S317 WeakPolarHBondContact CD2-OG 3.21Å |
| 25 | S | 75.6 | Confident | 76.6 | Confident | 37 Ų | 37 | 59 Ų | 59 | 26% | 0.259 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 176.8 | 71.7 | 0 | 0 | 0 | 0 | 112.5 | K21 F22 L23 A29 | K21-S25 VanDerWaalsContact O-CB 3.26Å; K21-S25 WeakPolarHBondContact O-CB 3.31Å; K21-S25 PolarHBondContact O-N 3.33Å; K21-S25 PolarHBondContact O-OG 3.5Å; K21-S25 VanDerWaalsContact O-OG 3.09Å; F22-S25 PolarHBondContact O-N 3.18Å; F22-S25 PolarHBondContact O-OG 3.05Å; L23-S25 PolarHBondContact O-N 3.07Å; S25-A29 WeakPolarHBondContact O-CB 3.4Å; S25-A29 PolarHBondContact O-N 3.41Å |
| 26 | G | 79.6 | Confident | 78 | Confident | 27 Ų | 27 | 55.8 Ų | 55.8 | 28% | 0.278 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.5 | -40.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F22 L23 L24 T30 | F22-G26 PolarHBondContact O-N 3.03Å; L23-G26 PolarHBondContact O-N 2.76Å; L24-G26 VanDerWaalsContact C-N 3.34Å; L24-G26 PolarHBondContact O-N 3.4Å; G26-T30 WeakPolarHBondContact O-CB 3.34Å; G26-T30 PolarHBondContact O-N 3.02Å; G26-T30 PolarHBondContact O-OG1 3.39Å |
| 27 | C | 82.6 | Confident | 79.4 | Confident | 68 Ų | 68 | 47.7 Ų | 47.7 | 46% | 0.459 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.3 | -48.6 | 173.1 | -71.4 | 0 | 0 | 0 | 0 | 111.2 | L23 L24 A29 T30 V31 I313 | L23-C27 WeakPolarHBondContact O-CB 3.4Å; L23-C27 PolarHBondContact O-N 3.09Å; L23-C27 PolarHBondContact O-SG 2.94Å; L23-C27 VanDerWaalsContact O-SG 3.32Å; L24-C27 PolarHBondContact O-N 2.91Å; C27-A29 PolarHBondContact O-N 2.96Å; C27-T30 PolarHBondContact O-N 3.35Å; C27-V31 WeakPolarHBondContact O-CG2 3.25Å; C27-V31 PolarHBondContact O-N 3.34Å; C27-I313 HydrophobicContact CB-CD1 3.91Å |
| 28 | A | 82.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L24 T30 V31 A32 F306 T309 Y310 I313 | L24-A28 WeakPolarHBondContact O-CB 3.2Å; L24-A28 PolarHBondContact O-N 3.16Å; A28-T30 VanDerWaalsContact C-N 3.32Å; A28-T30 PolarHBondContact O-N 3.23Å; A28-V31 PolarHBondContact O-N 2.99Å; A28-A32 WeakPolarHBondContact O-CB 3.37Å; A28-A32 PolarHBondContact O-N 3.26Å; A28-F306 HydrophobicContact CB-CD2 4.04Å; A28-F306 HydrophobicContact CB-CE2 4Å; A28-T309 HydrophobicContact CB-CG2 4.07Å; A28-Y310 HydrophobicContact CB-CD2 4.26Å; A28-I313 HydrophobicContact CB-CD1 4.39Å |
| 29 | A | 81.3 | Confident | 81.3 | Confident | 12 Ų | 12 | 40 Ų | 40 | 10% | 0.099 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S25 C27 A32 E33 F306 | S25-A29 WeakPolarHBondContact O-CB 3.4Å; S25-A29 PolarHBondContact O-N 3.41Å; C27-A29 PolarHBondContact O-N 2.96Å; A29-A32 PolarHBondContact O-N 3.46Å; A29-E33 VanDerWaalsContact O-CB 3.29Å; A29-E33 WeakPolarHBondContact O-CB 3.41Å; A29-E33 PolarHBondContact O-N 3.35Å; A29-F306 HydrophobicContact CB-CD2 4.24Å; A29-F306 HydrophobicContact CB-CE2 4.14Å |
| 30 | T | 85.5 | Confident | 82.1 | Confident | 35 Ų | 35 | 38.7 Ų | 38.7 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.7 | -43.3 | 177.8 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | G26 C27 A28 E33 L34 I94 | G26-T30 WeakPolarHBondContact O-CB 3.34Å; G26-T30 PolarHBondContact O-N 3.02Å; G26-T30 PolarHBondContact O-OG1 3.39Å; C27-T30 PolarHBondContact O-N 3.35Å; A28-T30 VanDerWaalsContact C-N 3.32Å; A28-T30 PolarHBondContact O-N 3.23Å; T30-E33 PolarHBondContact O-N 2.97Å; T30-L34 HydrophobicContact CG2-CD1 4.01Å; T30-L34 WeakPolarHBondContact O-CB 3.17Å; T30-L34 WeakPolarHBondContact O-CG 3.41Å; T30-L34 PolarHBondContact O-N 3.33Å; T30-I94 HydrophobicContact CG2-CD1 3.85Å; T30-I94 HydrophobicContact CG2-CG1 4.01Å; T30-I94 HydrophobicContact CG2-CG2 4.47Å |
| 31 | V | 86.8 | Confident | 82.8 | Confident | 66 Ų | 66 | 37.9 Ų | 37.9 | 40% | 0.4 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64 | -45.1 | 175.9 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | C27 A28 E33 L34 A35 V305 T309 | C27-V31 WeakPolarHBondContact O-CG2 3.25Å; C27-V31 PolarHBondContact O-N 3.34Å; A28-V31 PolarHBondContact O-N 2.99Å; V31-E33 PolarHBondContact O-N 2.97Å; V31-L34 PolarHBondContact O-N 3.26Å; V31-A35 WeakPolarHBondContact O-CB 3.08Å; V31-A35 PolarHBondContact O-N 3.46Å; V31-V305 HydrophobicContact CG1-CG1 4.23Å; V31-T309 HydrophobicContact CB-CG2 4.01Å; V31-T309 HydrophobicContact CG1-CG2 4.12Å; V31-T309 HydrophobicContact CG2-CG2 4.17Å |
| 32 | A | 84.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A28 A29 A35 T36 W302 V305 F306 | A28-A32 WeakPolarHBondContact O-CB 3.37Å; A28-A32 PolarHBondContact O-N 3.26Å; A29-A32 PolarHBondContact O-N 3.46Å; A32-A35 PolarHBondContact O-N 3.49Å; A32-T36 PolarHBondContact O-N 3.17Å; A32-T36 VanDerWaalsContact O-N 3.1Å; A32-T36 PolarHBondContact O-OG1 2.92Å; A32-W302 HydrophobicContact CB-CG 4.49Å; A32-V305 HydrophobicContact CB-CB 4.22Å; A32-V305 HydrophobicContact CB-CG1 4.07Å; A32-F306 HydrophobicContact CB-CB 3.86Å |
| 33 | E | 86.2 | Confident | 84.1 | Confident | 6 Ų | 6 | 29.4 Ų | 29.4 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 175.2 | -167 | 78.1 | -171.8 | 0 | 0 | 110.7 | A29 T30 V31 A35 T36 F37 A93 H97 K151 | A29-E33 VanDerWaalsContact O-CB 3.29Å; A29-E33 WeakPolarHBondContact O-CB 3.41Å; A29-E33 PolarHBondContact O-N 3.35Å; T30-E33 PolarHBondContact O-N 2.97Å; V31-E33 PolarHBondContact O-N 2.97Å; E33-A35 PolarHBondContact O-N 2.86Å; E33-T36 PolarHBondContact O-N 3.48Å; E33-F37 HydrophobicContact CG-CD2 4.16Å; E33-F37 WeakPolarHBondContact O-CA 3.16Å; E33-F37 VanDerWaalsContact O-CB 3.26Å; E33-F37 WeakPolarHBondContact O-CB 3.39Å; E33-F37 PolarHBondContact O-N 3.23Å; E33-A93 HydrophobicContact CG-CB 4.25Å; E33-H97 IonicContact OE2-CD2 3.96Å; E33-H97 IonicContact OE2-CE1 2.87Å; E33-H97 IonicContact OE2-NE2 3.89Å; E33-H97 PolarHBondContact OE2-NE2 3.48Å; E33-K151 IonicContact OE1-NZ 3.85Å; E33-K151 PolarHBondContact OE1-NZ 3.27Å |
| 34 | L | 88.1 | Confident | 84.4 | Confident | 68 Ų | 68 | 24.4 Ų | 24.4 | 36% | 0.356 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 177.7 | -80.2 | 163.2 | 0 | 0 | 0 | 112.3 | T30 V31 T36 W87 V90 | T30-L34 HydrophobicContact CG2-CD1 4.01Å; T30-L34 WeakPolarHBondContact O-CB 3.17Å; T30-L34 WeakPolarHBondContact O-CG 3.41Å; T30-L34 PolarHBondContact O-N 3.33Å; V31-L34 PolarHBondContact O-N 3.26Å; L34-T36 VanDerWaalsContact C-N 3.35Å; L34-W87 PolarHBondContact O-NE1 3.18Å; L34-V90 HydrophobicContact CD2-CG2 3.58Å; L34-V90 HydrophobicContact CG-CG2 4.22Å |
| 35 | A | 87.3 | Confident | 84.7 | Confident | 58 Ų | 58 | 24.1 Ų | 24.1 | 48% | 0.479 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -67.2 | -35.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V31 A32 E33 V305 | V31-A35 WeakPolarHBondContact O-CB 3.08Å; V31-A35 PolarHBondContact O-N 3.46Å; A32-A35 PolarHBondContact O-N 3.49Å; E33-A35 PolarHBondContact O-N 2.86Å; A35-V305 HydrophobicContact CB-CG1 4.14Å; A35-V305 HydrophobicContact CB-CG2 4.35Å |
| 36 | T | 86.1 | Confident | 85 | Confident | 5 Ų | 5 | 22.5 Ų | 22.5 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -102.9 | 0.5 | -174.6 | 61.9 | 0 | 0 | 0 | 0 | 114.2 | A32 E33 L34 P38 L39 D40 P301 W302 | A32-T36 PolarHBondContact O-N 3.17Å; A32-T36 VanDerWaalsContact O-N 3.1Å; A32-T36 PolarHBondContact O-OG1 2.92Å; E33-T36 PolarHBondContact O-N 3.48Å; L34-T36 VanDerWaalsContact C-N 3.35Å; T36-P38 VanDerWaalsContact C-CD 3.42Å; T36-P38 VanDerWaalsContact C-N 3.34Å; T36-L39 WeakPolarHBondContact O-CB 3.18Å; T36-L39 PolarHBondContact O-N 2.94Å; T36-D40 PolarHBondContact O-N 3.45Å; T36-P301 HydrophobicContact CG2-CB 4.06Å; T36-W302 HydrophobicContact CG2-CB 4.02Å |
| 37 | F | 87.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.1 | -39.8 | -179 | -152.8 | -90 | 0 | 0 | 0 | 114.2 | E33 L39 D40 L41 L86 Q88 G89 V90 A93 Q155 | E33-F37 HydrophobicContact CG-CD2 4.16Å; E33-F37 WeakPolarHBondContact O-CA 3.16Å; E33-F37 VanDerWaalsContact O-CB 3.26Å; E33-F37 WeakPolarHBondContact O-CB 3.39Å; E33-F37 PolarHBondContact O-N 3.23Å; F37-L39 PolarHBondContact O-N 3.32Å; F37-D40 WeakPolarHBondContact O-CB 3.45Å; F37-D40 PolarHBondContact O-N 2.99Å; F37-L41 PolarHBondContact O-N 3.46Å; F37-L86 WeakPolarHBondContact CD1-O 3.44Å; F37-Q88 VanDerWaalsContact CE1-O 3.3Å; F37-Q88 WeakPolarHBondContact CE1-O 3.35Å; F37-G89 VanDerWaalsContact CZ-O 3.27Å; F37-G89 WeakPolarHBondContact CZ-O 3.46Å; F37-V90 HydrophobicContact CD1-CB 4.33Å; F37-V90 HydrophobicContact CD2-CB 3.95Å; F37-V90 HydrophobicContact CD2-CG2 3.81Å; F37-V90 HydrophobicContact CE1-CB 4.36Å; F37-V90 VanDerWaalsContact CE2-CA 3.47Å; F37-V90 HydrophobicContact CE2-CB 4.01Å; F37-V90 HydrophobicContact CE2-CG2 4.22Å; F37-V90 HydrophobicContact CG-CB 4.12Å; F37-V90 HydrophobicContact CG-CG2 4.15Å; F37-V90 HydrophobicContact CZ-CB 4.21Å; F37-A93 HydrophobicContact CE2-CB 3.74Å; F37-Q155 HydrophobicContact CZ-CG 4.41Å |
| 38 | P | 87.6 | Confident | 85 | Confident | 25 Ų | 25 | 18.1 Ų | 18.1 | 16% | 0.162 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.8 | -34.8 | 176.1 | -27.8 | 36.8 | 0 | 0 | 0 | 113.6 | T36 T42 L86 W87 | T36-P38 VanDerWaalsContact C-CD 3.42Å; T36-P38 VanDerWaalsContact C-N 3.34Å; P38-T42 WeakPolarHBondContact O-CB 2.97Å; P38-T42 PolarHBondContact O-N 3.47Å; P38-T42 VanDerWaalsContact O-N 3.13Å; P38-T42 PolarHBondContact O-OG1 2.92Å; P38-L86 HydrophobicContact CB-CB 4.12Å; P38-L86 HydrophobicContact CB-CD1 4.36Å; P38-L86 HydrophobicContact CB-CD2 4.39Å; P38-L86 HydrophobicContact CG-CB 4.15Å; P38-W87 HydrophobicContact CG-CH2 4.13Å; P38-W87 HydrophobicContact CG-CZ2 3.78Å |
| 39 | L | 86.4 | Confident | 84.5 | Confident | 44 Ų | 44 | 19.9 Ų | 19.9 | 23% | 0.23 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -71.5 | -39.3 | 176.6 | -55.7 | 175 | 0 | 0 | 0 | 110.9 | T36 F37 T42 K43 M70 R298 P301 | T36-L39 WeakPolarHBondContact O-CB 3.18Å; T36-L39 PolarHBondContact O-N 2.94Å; F37-L39 PolarHBondContact O-N 3.32Å; L39-T42 PolarHBondContact O-N 2.9Å; L39-K43 WeakPolarHBondContact O-CB 3.25Å; L39-K43 PolarHBondContact O-N 3.48Å; L39-M70 HydrophobicContact CB-CE 4.3Å; L39-M70 HydrophobicContact CD2-CE 3.34Å; L39-M70 HydrophobicContact CG-CE 4.39Å; L39-R298 HydrophobicContact CB-CB 4.14Å; L39-R298 HydrophobicContact CB-CG 3.99Å; L39-R298 HydrophobicContact CD1-CB 4.35Å; L39-R298 HydrophobicContact CD1-CG 4.39Å; L39-P301 HydrophobicContact CD1-CG 4.43Å |
| 40 | D | 85.2 | Confident | 83.7 | Confident | 14 Ų | 14 | 19.9 Ų | 19.9 | 8% | 0.075 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.9 | -42.8 | 177.6 | -170.2 | 61.8 | 0 | 0 | 0 | 112.5 | T36 F37 T42 K43 T44 K151 Q155 R298 | T36-D40 PolarHBondContact O-N 3.45Å; F37-D40 WeakPolarHBondContact O-CB 3.45Å; F37-D40 PolarHBondContact O-N 2.99Å; D40-T42 VanDerWaalsContact C-N 3.34Å; D40-T42 PolarHBondContact O-N 2.91Å; D40-K43 PolarHBondContact O-N 2.94Å; D40-T44 PolarHBondContact O-N 3.01Å; D40-T44 PolarHBondContact O-OG1 3.27Å; D40-K151 IonicContact OD1-NZ 3.19Å; D40-K151 WeakPolarHBondContact OD2-CE 3.32Å; D40-K151 IonicContact OD2-NZ 2.81Å; D40-K151 PolarHBondContact OD2-NZ 3.36Å; D40-Q155 PolarHBondContact OD2-NE2 3.46Å; D40-R298 IonicContact OD1-NE 2.91Å |
| 41 | L | 86.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 173.6 | 179.5 | 68.5 | 0 | 0 | 0 | 110.8 | F37 K43 T44 R45 I77 K85 L86 Q155 | F37-L41 PolarHBondContact O-N 3.46Å; L41-K43 PolarHBondContact O-N 3.43Å; L41-T44 PolarHBondContact O-N 3.07Å; L41-R45 WeakPolarHBondContact O-CG 3.18Å; L41-R45 PolarHBondContact O-N 3.35Å; L41-I77 HydrophobicContact CD2-CD1 4.01Å; L41-I77 HydrophobicContact CD2-CG2 4.35Å; L41-I77 HydrophobicContact CG-CD1 4.28Å; L41-K85 VanDerWaalsContact CD2-O 3.26Å; L41-K85 WeakPolarHBondContact CD2-O 3.38Å; L41-L86 HydrophobicContact CD2-CD2 4.42Å; L41-L86 WeakPolarHBondContact CD2-O 3.31Å; L41-Q155 HydrophobicContact CD1-CB 3.6Å; L41-Q155 HydrophobicContact CD1-CG 3.68Å; L41-Q155 WeakPolarHBondContact CD1-O 3.43Å |
| 42 | T | 85.8 | Confident | 81.1 | Confident | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.018 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | -179.6 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | P38 L39 D40 R45 L46 M70 T73 A74 | P38-T42 WeakPolarHBondContact O-CB 2.97Å; P38-T42 PolarHBondContact O-N 3.47Å; P38-T42 VanDerWaalsContact O-N 3.13Å; P38-T42 PolarHBondContact O-OG1 2.92Å; L39-T42 PolarHBondContact O-N 2.9Å; D40-T42 VanDerWaalsContact C-N 3.34Å; D40-T42 PolarHBondContact O-N 2.91Å; T42-R45 PolarHBondContact O-N 3.4Å; T42-L46 HydrophobicContact CG2-CD1 4.19Å; T42-L46 VanDerWaalsContact O-CG 3.26Å; T42-L46 WeakPolarHBondContact O-CG 3.22Å; T42-L46 PolarHBondContact O-N 3.29Å; T42-M70 HydrophobicContact CG2-CB 4.41Å; T42-M70 HydrophobicContact CG2-CG 3.62Å; T42-M70 WeakPolarHBondContact CG2-O 3.36Å; T42-T73 HydrophobicContact CG2-CG2 4.03Å; T42-A74 HydrophobicContact CG2-CB 4.42Å |
| 43 | K | 86.4 | Confident | 79.5 | Confident | 15 Ų | 15 | 19.2 Ų | 19.2 | 7% | 0.065 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -54.9 | -54.1 | 172.3 | 175.9 | -170 | 170.3 | 173.9 | 0 | 110.6 | L39 D40 L41 R45 L46 Q47 D249 P294 S295 | L39-K43 WeakPolarHBondContact O-CB 3.25Å; L39-K43 PolarHBondContact O-N 3.48Å; D40-K43 PolarHBondContact O-N 2.94Å; L41-K43 PolarHBondContact O-N 3.43Å; K43-R45 VanDerWaalsContact C-N 3.3Å; K43-R45 PolarHBondContact O-N 3.32Å; K43-L46 WeakPolarHBondContact O-CB 3.13Å; K43-L46 PolarHBondContact O-N 3.47Å; K43-L46 VanDerWaalsContact O-N 3.16Å; K43-Q47 HydrophobicContact CG-CG 4.49Å; K43-Q47 WeakPolarHBondContact O-CG 3.44Å; K43-Q47 PolarHBondContact O-N 3.19Å; K43-D249 IonicContact NZ-OD2 3.87Å; K43-D249 PolarHBondContact NZ-OD2 2.96Å; K43-P294 HydrophobicContact CB-CB 3.97Å; K43-P294 HydrophobicContact CG-CB 4.42Å; K43-S295 PolarHBondContact NZ-OG 3.11Å |
| 44 | T | 83.6 | Confident | 77.8 | Confident | 8 Ų | 8 | 19.9 Ų | 19.9 | 5% | 0.049 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.3 | -42.1 | -175.4 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | D40 L41 L46 Q47 M48 Q155 | D40-T44 PolarHBondContact O-N 3.01Å; D40-T44 PolarHBondContact O-OG1 3.27Å; L41-T44 PolarHBondContact O-N 3.07Å; T44-L46 PolarHBondContact O-N 3.16Å; T44-Q47 PolarHBondContact O-N 2.97Å; T44-M48 VanDerWaalsContact O-CG 3.31Å; T44-M48 WeakPolarHBondContact O-CG 3.34Å; T44-M48 PolarHBondContact O-N 3.05Å; T44-Q155 HydrophobicContact CG2-CB 4.22Å; T44-Q155 PolarHBondContact OG1-OE1 3.07Å |
| 45 | R | 83.9 | Confident | 76.1 | Confident | 16 Ų | 16 | 19.6 Ų | 19.6 | 6% | 0.06 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 176.5 | -71.7 | -166.3 | 179.8 | -153.6 | 5.5 | 113.6 | L41 T42 K43 Q47 M48 Q49 T73 E81 Q155 M156 | L41-R45 WeakPolarHBondContact O-CG 3.18Å; L41-R45 PolarHBondContact O-N 3.35Å; T42-R45 PolarHBondContact O-N 3.4Å; K43-R45 VanDerWaalsContact C-N 3.3Å; K43-R45 PolarHBondContact O-N 3.32Å; R45-Q47 VanDerWaalsContact C-N 3.35Å; R45-M48 CarbonylContact O-C 3.56Å; R45-M48 PolarHBondContact O-N 2.87Å; R45-Q49 PolarHBondContact O-N 3.06Å; R45-Q49 VanDerWaalsContact O-N 3.13Å; R45-T73 HydrophobicContact CB-CG2 4.07Å; R45-E81 IonicContact CZ-OE1 3.66Å; R45-E81 IonicContact CZ-OE2 3.18Å; R45-E81 IonicContact NH1-OE1 3.96Å; R45-E81 PolarHBondContact NH1-OE1 3.18Å; R45-E81 IonicContact NH1-OE2 2.69Å; R45-E81 IonicContact NH2-OE1 2.72Å; R45-E81 PolarHBondContact NH2-OE1 2.71Å; R45-E81 IonicContact NH2-OE2 3.95Å; R45-E81 PolarHBondContact NH2-OE2 3.28Å; R45-Q155 PolarHBondContact NE-O 3Å; R45-M156 HydrophobicContact CG-SD 4.23Å |
| 46 | L | 83.7 | Confident | 74.3 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.8 | -41.5 | 175.3 | -74 | 168.4 | 0 | 0 | 0 | 111.8 | T42 K43 T44 M48 Q49 R68 M70 T73 P294 | T42-L46 HydrophobicContact CG2-CD1 4.19Å; T42-L46 VanDerWaalsContact O-CG 3.26Å; T42-L46 WeakPolarHBondContact O-CG 3.22Å; T42-L46 PolarHBondContact O-N 3.29Å; K43-L46 WeakPolarHBondContact O-CB 3.13Å; K43-L46 PolarHBondContact O-N 3.47Å; K43-L46 VanDerWaalsContact O-N 3.16Å; T44-L46 PolarHBondContact O-N 3.16Å; L46-M48 PolarHBondContact O-N 2.91Å; L46-Q49 WeakPolarHBondContact O-CB 3.19Å; L46-Q49 PolarHBondContact O-N 2.89Å; L46-Q49 VanDerWaalsContact O-N 3.1Å; L46-R68 WeakPolarHBondContact CD2-O 3.4Å; L46-M70 HydrophobicContact CD1-CB 4.09Å; L46-M70 HydrophobicContact CD1-CG 4.39Å; L46-T73 WeakPolarHBondContact CD2-OG1 3.37Å; L46-T73 HydrophobicContact CG-CG2 4.48Å; L46-P294 HydrophobicContact CD1-CB 4.42Å; L46-P294 HydrophobicContact CD1-CG 3.46Å; L46-P294 VanDerWaalsContact CD1-CG 3.46Å |
| 47 | Q | 81.7 | Confident | 72.6 | Confident | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.019 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.4 | -31.3 | 176.4 | -69.7 | -176.4 | -28.5 | 0 | 0 | 112 | K43 T44 R45 V250 S253 K290 | K43-Q47 HydrophobicContact CG-CG 4.49Å; K43-Q47 WeakPolarHBondContact O-CG 3.44Å; K43-Q47 PolarHBondContact O-N 3.19Å; T44-Q47 PolarHBondContact O-N 2.97Å; R45-Q47 VanDerWaalsContact C-N 3.35Å; Q47-V250 HydrophobicContact CB-CG2 4.3Å; Q47-V250 HydrophobicContact CG-CG2 4Å; Q47-S253 PolarHBondContact OE1-OG 3.42Å; Q47-K290 WeakPolarHBondContact CG-O 3.43Å |
| 48 | M | 79.1 | Confident | 70.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 0.6 | 177.9 | -58 | -62.1 | 80.4 | 0 | 0 | 114.2 | T44 R45 L46 G50 M156 K159 S253 R254 N257 | T44-M48 VanDerWaalsContact O-CG 3.31Å; T44-M48 WeakPolarHBondContact O-CG 3.34Å; T44-M48 PolarHBondContact O-N 3.05Å; R45-M48 CarbonylContact O-C 3.56Å; R45-M48 PolarHBondContact O-N 2.87Å; L46-M48 PolarHBondContact O-N 2.91Å; M48-G50 PolarHBondContact O-N 2.96Å; M48-M156 HydrophobicContact CB-CE 3.31Å; M48-M156 HydrophobicContact CB-SD 3.81Å; M48-M156 HydrophobicContact CG-CE 3.56Å; M48-M156 HydrophobicContact CG-CG 4.2Å; M48-M156 HydrophobicContact CG-SD 3.51Å; M48-M156 VanDerWaalsContact CG-SD 3.51Å; M48-K159 PolarHBondContact O-NZ 3.28Å; M48-S253 VanDerWaalsContact SD-C 3.55Å; M48-R254 HydrophobicContact CE-CB 4.09Å; M48-R254 HydrophobicContact CE-CG 3.24Å; M48-R254 HydrophobicContact SD-CG 4.09Å; M48-N257 HydrophobicContact SD-CB 3.87Å |
| 49 | Q | 71.9 | Confident | 68.8 | Low | 36 Ų | 36 | 37.3 Ų | 37.3 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 117.1 | 169.8 | -75.1 | -179.7 | 6 | 0 | 0 | 109.4 | R45 L46 R68 T73 K290 | R45-Q49 PolarHBondContact O-N 3.06Å; R45-Q49 VanDerWaalsContact O-N 3.13Å; L46-Q49 WeakPolarHBondContact O-CB 3.19Å; L46-Q49 PolarHBondContact O-N 2.89Å; L46-Q49 VanDerWaalsContact O-N 3.1Å; Q49-R68 PolarHBondContact OE1-O 3.06Å; Q49-T73 PolarHBondContact NE2-OG1 3.27Å; Q49-K290 PolarHBondContact O-NZ 3.5Å |
| 50 | G | 64.7 | Low | 66.7 | Low | 13 Ų | 13 | 39.6 Ų | 39.6 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 121.9 | -23.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | M48 A52 A53 L54 E283 | M48-G50 PolarHBondContact O-N 2.96Å; G50-A52 PolarHBondContact O-N 2.87Å; G50-A52 VanDerWaalsContact O-N 3.11Å; G50-A53 WeakPolarHBondContact O-CB 3.43Å; G50-A53 PolarHBondContact O-N 3.05Å; G50-L54 PolarHBondContact O-N 3.49Å; G50-L54 VanDerWaalsContact O-N 3.17Å; G50-E283 VanDerWaalsContact CA-CD 3.45Å; G50-E283 VanDerWaalsContact CA-OE1 3.28Å; G50-E283 WeakPolarHBondContact CA-OE1 3.47Å |
| 51 | E | 63.9 | Low | 64.6 | Low | 14 Ų | 14 | 41.7 Ų | 41.7 | 7% | 0.065 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.5 | -33.1 | 173.3 | -70 | -169.5 | 137.1 | 0 | 0 | 112.7 | L54 A55 R254 N257 | E51-L54 WeakPolarHBondContact O-CB 3.14Å; E51-L54 PolarHBondContact O-N 3.19Å; E51-A55 PolarHBondContact O-N 3.3Å; E51-R254 HydrophobicContact CG-CG 3.95Å; E51-R254 WeakPolarHBondContact OE1-CA 3.13Å; E51-R254 VanDerWaalsContact OE1-CB 3.3Å; E51-R254 WeakPolarHBondContact OE1-CB 3.34Å; E51-R254 WeakPolarHBondContact OE1-CG 3.41Å; E51-N257 PolarHBondContact OE2-ND2 2.92Å |
| 52 | A | 54 | Low | 62.5 | Low | 37 Ų | 37 | 53.7 Ų | 53.7 | 31% | 0.306 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72.2 | -29.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G50 L54 R56 | G50-A52 PolarHBondContact O-N 2.87Å; G50-A52 VanDerWaalsContact O-N 3.11Å; A52-L54 VanDerWaalsContact C-N 3.33Å; A52-R56 VanDerWaalsContact O-CG 3.31Å; A52-R56 WeakPolarHBondContact O-CG 3.35Å; A52-R56 PolarHBondContact O-N 3.36Å |
| 53 | A | 49.7 | Very low | 60.5 | Low | 36 Ų | 36 | 60.9 Ų | 60.9 | 30% | 0.298 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71.4 | -33.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G50 R56 L57 | G50-A53 WeakPolarHBondContact O-CB 3.43Å; G50-A53 PolarHBondContact O-N 3.05Å; A53-R56 CarbonylContact O-C 3.52Å; A53-R56 PolarHBondContact O-N 2.97Å; A53-L57 PolarHBondContact O-N 3.38Å |
| 54 | L | 52.2 | Low | 58.4 | Low | 19 Ų | 19 | 65.3 Ų | 65.3 | 10% | 0.099 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.2 | -42.6 | 173.6 | -88.6 | 150.1 | 0 | 0 | 0 | 113.9 | G50 E51 A52 R56 L57 Q278 E283 | G50-L54 PolarHBondContact O-N 3.49Å; G50-L54 VanDerWaalsContact O-N 3.17Å; E51-L54 WeakPolarHBondContact O-CB 3.14Å; E51-L54 PolarHBondContact O-N 3.19Å; A52-L54 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 3.02Å; L54-L57 HydrophobicContact CD2-CD1 3.94Å; L54-L57 HydrophobicContact CG-CD1 4.26Å; L54-L57 PolarHBondContact O-N 3.3Å; L54-L57 VanDerWaalsContact O-N 3.09Å; L54-Q278 HydrophobicContact CD2-CB 3.7Å; L54-E283 HydrophobicContact CD1-CG 4.37Å; L54-E283 WeakPolarHBondContact CD1-OE1 3.21Å |
| 55 | A | 52.3 | Low | 57 | Low | 63 Ų | 63 | 68.4 Ų | 68.4 | 52% | 0.521 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.8 | -26.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E51 L268 | E51-A55 PolarHBondContact O-N 3.3Å; A55-L268 HydrophobicContact CB-CD2 4.47Å |
| 56 | R | 49.6 | Very low | 55.5 | Low | 136 Ų | 136 | 72.2 Ų | 72.2 | 51% | 0.513 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -6 | 175.9 | -70.4 | -178.7 | 178.6 | -178.9 | -1.1 | 114.1 | A52 A53 L54 G58 D59 | A52-R56 VanDerWaalsContact O-CG 3.31Å; A52-R56 WeakPolarHBondContact O-CG 3.35Å; A52-R56 PolarHBondContact O-N 3.36Å; A53-R56 CarbonylContact O-C 3.52Å; A53-R56 PolarHBondContact O-N 2.97Å; L54-R56 PolarHBondContact O-N 3.02Å; R56-G58 PolarHBondContact O-N 2.97Å; R56-G58 VanDerWaalsContact O-N 3.17Å; R56-D59 CarbonylContact O-C 3.22Å; R56-D59 PolarHBondContact O-N 3.31Å |
| 57 | L | 49 | Very low | 54.2 | Low | 117 Ų | 117 | 79 Ų | 79 | 61% | 0.613 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -12.3 | 172.7 | -87.6 | 162.3 | 0 | 0 | 0 | 112.6 | A53 L54 | A53-L57 PolarHBondContact O-N 3.38Å; L54-L57 HydrophobicContact CD2-CD1 3.94Å; L54-L57 HydrophobicContact CG-CD1 4.26Å; L54-L57 PolarHBondContact O-N 3.3Å; L54-L57 VanDerWaalsContact O-N 3.09Å |
| 58 | G | 49.1 | Very low | 53.5 | Low | 75 Ų | 75 | 82.6 Ų | 82.6 | 77% | 0.773 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -16.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R56 | R56-G58 PolarHBondContact O-N 2.97Å; R56-G58 VanDerWaalsContact O-N 3.17Å |
| 59 | D | 46.9 | Very low | 53.4 | Low | 132 Ų | 132 | 84.1 Ų | 84.1 | 71% | 0.706 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.7 | 99.8 | -178 | -107.1 | -21.4 | 0 | 0 | 0 | 107.9 | R56 A61 | R56-D59 CarbonylContact O-C 3.22Å; R56-D59 PolarHBondContact O-N 3.31Å; D59-A61 PolarHBondContact O-N 3.05Å |
| 60 | G | 42 | Very low | 53.8 | Low | 91 Ų | 91 | 84.1 Ų | 84.1 | 94% | 0.938 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 53.1 | -161.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 61 | A | 41.5 | Very low | 54.7 | Low | 58 Ų | 58 | 88.6 Ų | 88.6 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | trans | -106.4 | 96.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | D59 E63 | D59-A61 PolarHBondContact O-N 3.05Å; A61-E63 PolarHBondContact O-N 2.93Å | ||
| 62 | R | 42.3 | Very low | 55.6 | Low | 252 Ų | 252 | 95.2 Ų | 95.2 | 95% | 0.951 | 55% | 0.548 | S | S | * | . | trans | -79.1 | 44.6 | -176.8 | -143.7 | 179.1 | -167.7 | 174.3 | 2.6 | 112.6 | ||||
| 63 | E | 42.6 | Very low | 57 | Low | 155 Ų | 155 | 94 Ų | 94 | 72% | 0.724 | 54% | 0.536 | S | S | * | . | trans | -94.6 | 100.1 | 171 | -81.4 | -169.3 | 156.9 | 0 | 0 | 110 | A61 A65 | A61-E63 PolarHBondContact O-N 2.93Å; E63-A65 PolarHBondContact O-N 3.27Å | ||
| 64 | S | 43.6 | Very low | 58.6 | Low | 107 Ų | 107 | 93.4 Ų | 93.4 | 75% | 0.748 | 53% | 0.532 | S | S | * | . | trans | -59 | 104.4 | 169.1 | 50.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 65 | A | 52.8 | Low | 60.2 | Low | 74 Ų | 74 | 96.7 Ų | 96.7 | 61% | 0.612 | 55% | 0.549 | S | S | * | . | trans | -52.7 | 124.4 | 170 | 0 | 0 | 0 | 0 | 0 | 108.6 | E63 Y67 | E63-A65 PolarHBondContact O-N 3.27Å; A65-Y67 PolarHBondContact O-N 3.5Å | ||
| 66 | P | 53 | Low | 61.6 | Low | 96 Ų | 96 | 94 Ų | 94 | 62% | 0.623 | 53% | 0.527 | S | S | * | . | trans | -63.7 | 130.9 | -170.9 | 21.8 | -31.2 | 0 | 0 | 0 | 110.2 | R68 | P66-R68 PolarHBondContact O-N 3.23Š| ||
| 67 | Y | 56 | Low | 63.2 | Low | 145 Ų | 145 | 87.6 Ų | 87.6 | 57% | 0.569 | 50% | 0.503 | S | S | * | . | trans | -56.7 | 107.3 | 172.9 | -177.9 | -111.2 | 0 | 0 | 0 | 108.9 | A65 K290 | A65-Y67 PolarHBondContact O-N 3.5Å; Y67-K290 HydrophobicContact CE2-CD 4.37Å; Y67-K290 HydrophobicContact CE2-CG 3.96Å | ||
| 68 | R | 66.5 | Low | 65 | Low | 79 Ų | 79 | 85.1 Ų | 85.1 | 30% | 0.298 | 49% | 0.49 | S | S | . | . | trans | -88.2 | 119.6 | 174.4 | -69.4 | -175.2 | 171.3 | -174.4 | -2.6 | 106.6 | L46 Q49 P66 R72 T73 E80 | L46-R68 WeakPolarHBondContact CD2-O 3.4Å; Q49-R68 PolarHBondContact OE1-O 3.06Å; P66-R68 PolarHBondContact O-N 3.23Å; R68-R72 HydrophobicContact CB-CB 4.29Å; R68-R72 HydrophobicContact CB-CG 4.24Å; R68-R72 HydrophobicContact CG-CG 4.17Å; R68-T73 PolarHBondContact O-OG1 3.11Å; R68-E80 IonicContact CZ-OE1 3.6Å; R68-E80 IonicContact NH1-OE1 3.73Å; R68-E80 PolarHBondContact NH1-OE1 2.91Å; R68-E80 IonicContact NH1-OE2 2.93Å; R68-E80 IonicContact NH2-OE1 2.83Å | ||
| 69 | G | 77.7 | Confident | 66.8 | Low | 32 Ų | 32 | 89.1 Ų | 89.1 | 33% | 0.33 | 49% | 0.488 | S | S | . | . | trans | -58.9 | 172.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V71 R72 T73 | G69-V71 PolarHBondContact O-N 2.92Å; G69-R72 PolarHBondContact O-N 3.14Å; G69-T73 WeakPolarHBondContact O-CB 3.45Å; G69-T73 PolarHBondContact O-N 3.32Å; G69-T73 PolarHBondContact O-OG1 3.04Å | ||
| 70 | M | 80.1 | Confident | 68.5 | Low | 35 Ų | 35 | 86.9 Ų | 86.9 | 17% | 0.172 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -56.1 | -50.8 | -176.1 | -174.5 | 179.4 | 178 | 0 | 0 | 113.4 | L39 T42 L46 R72 T73 A74 P294 L297 | L39-M70 HydrophobicContact CB-CE 4.3Å; L39-M70 HydrophobicContact CD2-CE 3.34Å; L39-M70 HydrophobicContact CG-CE 4.39Å; T42-M70 HydrophobicContact CG2-CB 4.41Å; T42-M70 HydrophobicContact CG2-CG 3.62Å; T42-M70 WeakPolarHBondContact CG2-O 3.36Å; L46-M70 HydrophobicContact CD1-CB 4.09Å; L46-M70 HydrophobicContact CD1-CG 4.39Å; M70-R72 PolarHBondContact O-N 2.68Å; M70-T73 PolarHBondContact O-N 2.69Å; M70-A74 PolarHBondContact O-N 3.49Å; M70-P294 HydrophobicContact CB-CG 4.28Å; M70-P294 HydrophobicContact CE-CB 4.16Å; M70-P294 HydrophobicContact CG-CG 4.15Å; M70-P294 HydrophobicContact SD-CB 3.82Å; M70-P294 HydrophobicContact SD-CG 3.8Å; M70-L297 HydrophobicContact CE-CD2 4.1Å; M70-L297 HydrophobicContact SD-CD2 3.94Å |
| 71 | V | 83.4 | Confident | 70.4 | Confident | 108 Ų | 108 | 84 Ų | 84 | 66% | 0.655 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | -179.7 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | G69 T73 A74 L75 | G69-V71 PolarHBondContact O-N 2.92Å; V71-T73 VanDerWaalsContact C-N 3.3Å; V71-T73 PolarHBondContact O-N 2.93Å; V71-A74 PolarHBondContact O-N 2.94Å; V71-L75 HydrophobicContact CG1-CD1 3.89Å; V71-L75 HydrophobicContact CG1-CG 4.31Å; V71-L75 WeakPolarHBondContact O-CB 3.29Å; V71-L75 WeakPolarHBondContact O-CG 3.43Å; V71-L75 PolarHBondContact O-N 2.66Å |
| 72 | R | 83.7 | Confident | 72.5 | Confident | 153 Ų | 153 | 82.7 Ų | 82.7 | 58% | 0.577 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.1 | -34.4 | 178.3 | -169.3 | 173 | -177.2 | 175 | 3.7 | 112.2 | R68 G69 M70 G76 | R68-R72 HydrophobicContact CB-CB 4.29Å; R68-R72 HydrophobicContact CB-CG 4.24Å; R68-R72 HydrophobicContact CG-CG 4.17Å; G69-R72 PolarHBondContact O-N 3.14Å; M70-R72 PolarHBondContact O-N 2.68Å; R72-G76 PolarHBondContact O-N 3.01Å |
| 73 | T | 82.8 | Confident | 74.6 | Confident | 10 Ų | 10 | 76.5 Ų | 76.5 | 6% | 0.061 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.3 | -44.9 | 174.5 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | T42 R45 L46 Q49 R68 G69 M70 V71 G76 I77 | T42-T73 HydrophobicContact CG2-CG2 4.03Å; R45-T73 HydrophobicContact CB-CG2 4.07Å; L46-T73 WeakPolarHBondContact CD2-OG1 3.37Å; L46-T73 HydrophobicContact CG-CG2 4.48Å; Q49-T73 PolarHBondContact NE2-OG1 3.27Å; R68-T73 PolarHBondContact O-OG1 3.11Å; G69-T73 WeakPolarHBondContact O-CB 3.45Å; G69-T73 PolarHBondContact O-N 3.32Å; G69-T73 PolarHBondContact O-OG1 3.04Å; M70-T73 PolarHBondContact O-N 2.69Å; V71-T73 VanDerWaalsContact C-N 3.3Å; V71-T73 PolarHBondContact O-N 2.93Å; T73-G76 PolarHBondContact O-N 3.37Å; T73-I77 HydrophobicContact CG2-CD1 4.42Å; T73-I77 VanDerWaalsContact O-CG1 3.26Å; T73-I77 WeakPolarHBondContact O-CG1 3.37Å; T73-I77 PolarHBondContact O-N 3.46Å |
| 74 | A | 83.6 | Confident | 76.7 | Confident | 25 Ų | 25 | 75.9 Ų | 75.9 | 21% | 0.207 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T42 M70 V71 G76 I77 I78 | T42-A74 HydrophobicContact CG2-CB 4.42Å; M70-A74 PolarHBondContact O-N 3.49Å; V71-A74 PolarHBondContact O-N 2.94Å; A74-G76 VanDerWaalsContact C-N 3.32Å; A74-G76 PolarHBondContact O-N 3.45Å; A74-I77 PolarHBondContact O-N 3.41Å; A74-I78 WeakPolarHBondContact O-CG1 3.3Å; A74-I78 PolarHBondContact O-N 2.9Å; A74-I78 VanDerWaalsContact O-N 3.12Å |
| 75 | L | 84.9 | Confident | 78.8 | Confident | 88 Ų | 88 | 75.1 Ų | 75.1 | 46% | 0.461 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 175.4 | -71 | 173.8 | 0 | 0 | 0 | 111.8 | V71 I77 I78 Q79 | V71-L75 HydrophobicContact CG1-CD1 3.89Å; V71-L75 HydrophobicContact CG1-CG 4.31Å; V71-L75 WeakPolarHBondContact O-CB 3.29Å; V71-L75 WeakPolarHBondContact O-CG 3.43Å; V71-L75 PolarHBondContact O-N 2.66Å; L75-I77 VanDerWaalsContact C-N 3.35Å; L75-I77 PolarHBondContact O-N 3.44Å; L75-I78 PolarHBondContact O-N 3.39Å; L75-Q79 WeakPolarHBondContact O-CB 3.3Å; L75-Q79 WeakPolarHBondContact O-CG 3.34Å; L75-Q79 PolarHBondContact O-N 3.02Å |
| 76 | G | 82.6 | Confident | 80.4 | Confident | 5 Ų | 5 | 72.2 Ų | 72.2 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.8 | -44 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R72 T73 A74 I78 Q79 E80 | R72-G76 PolarHBondContact O-N 3.01Å; T73-G76 PolarHBondContact O-N 3.37Å; A74-G76 VanDerWaalsContact C-N 3.32Å; A74-G76 PolarHBondContact O-N 3.45Å; G76-I78 VanDerWaalsContact C-N 3.34Å; G76-I78 PolarHBondContact O-N 3.25Å; G76-Q79 PolarHBondContact O-N 3.36Å; G76-E80 WeakPolarHBondContact O-CB 3.2Å; G76-E80 WeakPolarHBondContact O-CG 3.39Å; G76-E80 PolarHBondContact O-N 2.96Å |
| 77 | I | 84.1 | Confident | 82.1 | Confident | 2 Ų | 2 | 71.2 Ų | 71.2 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.2 | -46 | 176.1 | -61.9 | 160.3 | 0 | 0 | 0 | 110.8 | L41 T73 A74 L75 Q79 E81 G82 K85 L86 | L41-I77 HydrophobicContact CD2-CD1 4.01Å; L41-I77 HydrophobicContact CD2-CG2 4.35Å; L41-I77 HydrophobicContact CG-CD1 4.28Å; T73-I77 HydrophobicContact CG2-CD1 4.42Å; T73-I77 VanDerWaalsContact O-CG1 3.26Å; T73-I77 WeakPolarHBondContact O-CG1 3.37Å; T73-I77 PolarHBondContact O-N 3.46Å; A74-I77 PolarHBondContact O-N 3.41Å; L75-I77 VanDerWaalsContact C-N 3.35Å; L75-I77 PolarHBondContact O-N 3.44Å; I77-Q79 PolarHBondContact O-N 2.96Å; I77-E81 WeakPolarHBondContact O-CA 3.28Å; I77-E81 WeakPolarHBondContact O-CB 3.4Å; I77-E81 PolarHBondContact O-N 3.03Å; I77-G82 PolarHBondContact O-N 2.89Å; I77-K85 HydrophobicContact CG2-CB 4.4Å; I77-L86 HydrophobicContact CB-CD2 4.16Å; I77-L86 HydrophobicContact CD1-CD2 4.15Å; I77-L86 HydrophobicContact CG2-CD2 3.88Å; I77-L86 HydrophobicContact CG2-CG 4.38Å |
| 78 | I | 86.9 | Confident | 83.5 | Confident | 65 Ų | 65 | 65.7 Ų | 65.7 | 33% | 0.333 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | -178 | -64.5 | 166.7 | 0 | 0 | 0 | 110.9 | A74 L75 G76 G82 L86 | A74-I78 WeakPolarHBondContact O-CG1 3.3Å; A74-I78 PolarHBondContact O-N 2.9Å; A74-I78 VanDerWaalsContact O-N 3.12Å; L75-I78 PolarHBondContact O-N 3.39Å; G76-I78 VanDerWaalsContact C-N 3.34Å; G76-I78 PolarHBondContact O-N 3.25Å; I78-G82 WeakPolarHBondContact O-CA 3.25Å; I78-G82 PolarHBondContact O-N 3.44Å; I78-G82 VanDerWaalsContact O-N 3.15Å; I78-L86 HydrophobicContact CD1-CD1 4.08Å; I78-L86 HydrophobicContact CG1-CD1 3.88Å; I78-L86 HydrophobicContact CG1-CG 4.31Å |
| 79 | Q | 85.4 | Confident | 84.4 | Confident | 160 Ų | 160 | 62.1 Ų | 62.1 | 75% | 0.748 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -74.3 | -42.1 | -177.5 | -70.4 | 177.6 | -11.3 | 0 | 0 | 112.7 | L75 G76 I77 | L75-Q79 WeakPolarHBondContact O-CB 3.3Å; L75-Q79 WeakPolarHBondContact O-CG 3.34Å; L75-Q79 PolarHBondContact O-N 3.02Å; G76-Q79 PolarHBondContact O-N 3.36Å; I77-Q79 PolarHBondContact O-N 2.96Å |
| 80 | E | 83.3 | Confident | 84.8 | Confident | 85 Ų | 85 | 61.5 Ų | 61.5 | 40% | 0.397 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -89.1 | -28.3 | -170.9 | -59.2 | 169 | -175.8 | 0 | 0 | 112.3 | R68 G76 L162 | R68-E80 IonicContact CZ-OE1 3.6Å; R68-E80 IonicContact NH1-OE1 3.73Å; R68-E80 PolarHBondContact NH1-OE1 2.91Å; R68-E80 IonicContact NH1-OE2 2.93Å; R68-E80 IonicContact NH2-OE1 2.83Å; G76-E80 WeakPolarHBondContact O-CB 3.2Å; G76-E80 WeakPolarHBondContact O-CG 3.39Å; G76-E80 PolarHBondContact O-N 2.96Å; E80-L162 HydrophobicContact CB-CD1 4.21Å; E80-L162 HydrophobicContact CB-CD2 3.7Å; E80-L162 HydrophobicContact CG-CD2 4.45Å; E80-L162 WeakPolarHBondContact OE2-CD1 3.31Å |
| 81 | E | 81.4 | Confident | 85.3 | Confident | 31 Ų | 31 | 62.8 Ų | 62.8 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -124.4 | -18.6 | -173.9 | -55.9 | -179.7 | -162.6 | 0 | 0 | 114.7 | R45 I77 K85 G158 K159 L162 | R45-E81 IonicContact CZ-OE1 3.66Å; R45-E81 IonicContact CZ-OE2 3.18Å; R45-E81 IonicContact NH1-OE1 3.96Å; R45-E81 PolarHBondContact NH1-OE1 3.18Å; R45-E81 IonicContact NH1-OE2 2.69Å; R45-E81 IonicContact NH2-OE1 2.72Å; R45-E81 PolarHBondContact NH2-OE1 2.71Å; R45-E81 IonicContact NH2-OE2 3.95Å; R45-E81 PolarHBondContact NH2-OE2 3.28Å; I77-E81 WeakPolarHBondContact O-CA 3.28Å; I77-E81 WeakPolarHBondContact O-CB 3.4Å; I77-E81 PolarHBondContact O-N 3.03Å; E81-K85 HydrophobicContact CB-CB 3.97Å; E81-K85 HydrophobicContact CB-CG 3.93Å; E81-K85 WeakPolarHBondContact O-CG 3.46Å; E81-G158 WeakPolarHBondContact OE1-CA 3.3Å; E81-G158 VanDerWaalsContact OE2-CA 3.25Å; E81-G158 WeakPolarHBondContact OE2-CA 3.13Å; E81-K159 PolarHBondContact OE1-N 2.97Å; E81-L162 HydrophobicContact CG-CD1 4.24Å; E81-L162 WeakPolarHBondContact OE1-CD1 3.4Å |
| 82 | G | 85.5 | Confident | 85.5 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | trans | 99.7 | 153.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I77 I78 L84 K85 | I77-G82 PolarHBondContact O-N 2.89Å; I78-G82 WeakPolarHBondContact O-CA 3.25Å; I78-G82 PolarHBondContact O-N 3.44Å; I78-G82 VanDerWaalsContact O-N 3.15Å; G82-L84 PolarHBondContact O-N 2.93Å; G82-K85 WeakPolarHBondContact O-CB 3.41Å; G82-K85 PolarHBondContact O-N 3.42Å; G82-K85 VanDerWaalsContact O-N 3.08Å | ||
| 83 | F | 87 | Confident | 85.6 | Confident | 122 Ų | 122 | 50.4 Ų | 50.4 | 54% | 0.535 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -55.4 | -44.7 | -173.7 | 178.5 | -103.8 | 0 | 0 | 0 | 114.3 | K85 L86 W87 | F83-K85 PolarHBondContact O-N 3.35Å; F83-K85 VanDerWaalsContact O-N 3.12Å; F83-L86 HydrophobicContact CD2-CD1 4.11Å; F83-L86 HydrophobicContact CE2-CD1 4.17Å; F83-L86 WeakPolarHBondContact O-CB 3.34Å; F83-L86 WeakPolarHBondContact O-CG 3.15Å; F83-L86 PolarHBondContact O-N 3.08Å; F83-L86 VanDerWaalsContact O-N 3.13Å; F83-W87 HydrophobicContact CD1-CZ3 4.22Å; F83-W87 AromaticContact CE1-CH2 3.99Å; F83-W87 HydrophobicContact CE1-CH2 3.99Å; F83-W87 AromaticContact CE1-CZ3 3.7Å; F83-W87 HydrophobicContact CE1-CZ3 3.7Å; F83-W87 HydrophobicContact CE2-CH2 4.49Å; F83-W87 HydrophobicContact CE2-CZ3 4.38Å; F83-W87 AromaticContact CZ-CH2 3.76Å; F83-W87 HydrophobicContact CZ-CH2 3.76Å; F83-W87 AromaticContact CZ-CZ3 3.8Å; F83-W87 HydrophobicContact CZ-CZ3 3.8Å |
| 84 | L | 87.1 | Confident | 85.8 | Confident | 142 Ų | 142 | 52 Ų | 52 | 74% | 0.743 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -65 | -18.1 | -178.3 | -66.5 | 176.3 | 0 | 0 | 0 | 113.4 | G82 L86 W87 | G82-L84 PolarHBondContact O-N 2.93Å; L84-L86 PolarHBondContact O-N 3.21Å; L84-W87 PolarHBondContact O-N 3.03Å |
| 85 | K | 86.2 | Confident | 86.1 | Confident | 92 Ų | 92 | 55.3 Ų | 55.3 | 40% | 0.4 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -71.6 | -12 | 177.6 | -65.5 | -65.4 | -170 | 173.6 | 0 | 113.2 | L41 I77 E81 G82 F83 W87 Q88 | L41-K85 VanDerWaalsContact CD2-O 3.26Å; L41-K85 WeakPolarHBondContact CD2-O 3.38Å; I77-K85 HydrophobicContact CG2-CB 4.4Å; E81-K85 HydrophobicContact CB-CB 3.97Å; E81-K85 HydrophobicContact CB-CG 3.93Å; E81-K85 WeakPolarHBondContact O-CG 3.46Å; G82-K85 WeakPolarHBondContact O-CB 3.41Å; G82-K85 PolarHBondContact O-N 3.42Å; G82-K85 VanDerWaalsContact O-N 3.08Å; F83-K85 PolarHBondContact O-N 3.35Å; F83-K85 VanDerWaalsContact O-N 3.12Å; K85-W87 PolarHBondContact O-N 3.37Å; K85-Q88 WeakPolarHBondContact O-CB 3.46Å; K85-Q88 PolarHBondContact O-N 2.92Å |
| 86 | L | 86.3 | Confident | 86.1 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.063 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -59.5 | -24.4 | 169.2 | -69.5 | 172.6 | 0 | 0 | 0 | 113.3 | F37 P38 L41 I77 I78 F83 L84 | F37-L86 WeakPolarHBondContact CD1-O 3.44Å; P38-L86 HydrophobicContact CB-CB 4.12Å; P38-L86 HydrophobicContact CB-CD1 4.36Å; P38-L86 HydrophobicContact CB-CD2 4.39Å; P38-L86 HydrophobicContact CG-CB 4.15Å; L41-L86 HydrophobicContact CD2-CD2 4.42Å; L41-L86 WeakPolarHBondContact CD2-O 3.31Å; I77-L86 HydrophobicContact CB-CD2 4.16Å; I77-L86 HydrophobicContact CD1-CD2 4.15Å; I77-L86 HydrophobicContact CG2-CD2 3.88Å; I77-L86 HydrophobicContact CG2-CG 4.38Å; I78-L86 HydrophobicContact CD1-CD1 4.08Å; I78-L86 HydrophobicContact CG1-CD1 3.88Å; I78-L86 HydrophobicContact CG1-CG 4.31Å; F83-L86 HydrophobicContact CD2-CD1 4.11Å; F83-L86 HydrophobicContact CE2-CD1 4.17Å; F83-L86 WeakPolarHBondContact O-CB 3.34Å; F83-L86 WeakPolarHBondContact O-CG 3.15Å; F83-L86 PolarHBondContact O-N 3.08Å; F83-L86 VanDerWaalsContact O-N 3.13Å; L84-L86 PolarHBondContact O-N 3.21Å |
| 87 | W | 88.9 | Confident | 86.1 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 28% | 0.284 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -96.2 | 11 | 176.8 | -73 | -91.1 | 0 | 0 | 0 | 114.2 | L34 P38 F83 L84 K85 G89 V90 | L34-W87 PolarHBondContact O-NE1 3.18Å; P38-W87 HydrophobicContact CG-CH2 4.13Å; P38-W87 HydrophobicContact CG-CZ2 3.78Å; F83-W87 HydrophobicContact CD1-CZ3 4.22Å; F83-W87 AromaticContact CE1-CH2 3.99Å; F83-W87 HydrophobicContact CE1-CH2 3.99Å; F83-W87 AromaticContact CE1-CZ3 3.7Å; F83-W87 HydrophobicContact CE1-CZ3 3.7Å; F83-W87 HydrophobicContact CE2-CH2 4.49Å; F83-W87 HydrophobicContact CE2-CZ3 4.38Å; F83-W87 AromaticContact CZ-CH2 3.76Å; F83-W87 HydrophobicContact CZ-CH2 3.76Å; F83-W87 AromaticContact CZ-CZ3 3.8Å; F83-W87 HydrophobicContact CZ-CZ3 3.8Å; L84-W87 PolarHBondContact O-N 3.03Å; K85-W87 PolarHBondContact O-N 3.37Å; W87-G89 PolarHBondContact O-N 3.49Å; W87-G89 VanDerWaalsContact O-N 3.12Å; W87-V90 HydrophobicContact CB-CG1 4.36Å; W87-V90 WeakPolarHBondContact O-CB 3.36Å; W87-V90 WeakPolarHBondContact O-CG1 3.48Å; W87-V90 PolarHBondContact O-N 2.97Å; W87-V90 VanDerWaalsContact O-N 3.08Å |
| 88 | Q | 86 | Confident | 86.1 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 114.5 | -178.9 | -175.3 | 168.8 | -0.9 | 0 | 0 | 111.5 | F37 K85 M154 Q155 E157 | F37-Q88 VanDerWaalsContact CE1-O 3.3Å; F37-Q88 WeakPolarHBondContact CE1-O 3.35Å; K85-Q88 WeakPolarHBondContact O-CB 3.46Å; K85-Q88 PolarHBondContact O-N 2.92Å; Q88-M154 VanDerWaalsContact CD-O 3.29Å; Q88-M154 WeakPolarHBondContact CG-O 3.46Å; Q88-M154 PolarHBondContact NE2-O 2.65Å; Q88-M154 VanDerWaalsContact NE2-O 3.1Å; Q88-Q155 WeakPolarHBondContact O-CG 3.2Å; Q88-E157 VanDerWaalsContact NE2-CB 3.27Å |
| 89 | G | 84.9 | Confident | 86.1 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102.5 | 7.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | F37 W87 P92 A93 | F37-G89 VanDerWaalsContact CZ-O 3.27Å; F37-G89 WeakPolarHBondContact CZ-O 3.46Å; W87-G89 PolarHBondContact O-N 3.49Å; W87-G89 VanDerWaalsContact O-N 3.12Å; G89-P92 VanDerWaalsContact C-CD 3.42Å; G89-P92 WeakPolarHBondContact O-CD 3.45Å; G89-P92 WeakPolarHBondContact O-CG 3.45Å; G89-A93 PolarHBondContact O-N 3.49Å |
| 90 | V | 87.8 | Confident | 86 | Confident | 19 Ų | 19 | 52 Ų | 52 | 12% | 0.115 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 176.5 | 72.7 | 0 | 0 | 0 | 0 | 112.9 | L34 F37 W87 A93 I94 | L34-V90 HydrophobicContact CD2-CG2 3.58Å; L34-V90 HydrophobicContact CG-CG2 4.22Å; F37-V90 HydrophobicContact CD1-CB 4.33Å; F37-V90 HydrophobicContact CD2-CB 3.95Å; F37-V90 HydrophobicContact CD2-CG2 3.81Å; F37-V90 HydrophobicContact CE1-CB 4.36Å; F37-V90 VanDerWaalsContact CE2-CA 3.47Å; F37-V90 HydrophobicContact CE2-CB 4.01Å; F37-V90 HydrophobicContact CE2-CG2 4.22Å; F37-V90 HydrophobicContact CG-CB 4.12Å; F37-V90 HydrophobicContact CG-CG2 4.15Å; F37-V90 HydrophobicContact CZ-CB 4.21Å; W87-V90 HydrophobicContact CB-CG1 4.36Å; W87-V90 WeakPolarHBondContact O-CB 3.36Å; W87-V90 WeakPolarHBondContact O-CG1 3.48Å; W87-V90 PolarHBondContact O-N 2.97Å; W87-V90 VanDerWaalsContact O-N 3.08Å; V90-A93 CarbonylContact O-C 3.6Å; V90-A93 WeakPolarHBondContact O-CA 3.47Å; V90-A93 VanDerWaalsContact O-CB 3.29Å; V90-A93 WeakPolarHBondContact O-CB 3.4Å; V90-A93 PolarHBondContact O-N 3.47Å; V90-I94 HydrophobicContact CG2-CD1 4.31Å; V90-I94 WeakPolarHBondContact O-CG1 3.37Å; V90-I94 PolarHBondContact O-N 3.06Å |
| 91 | T | 88.6 | Confident | 85.7 | Confident | 63 Ų | 63 | 50 Ų | 50 | 39% | 0.387 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.5 | -50 | 177.9 | -49.2 | 0 | 0 | 0 | 0 | 113.6 | A93 I94 Y95 V172 | T91-A93 PolarHBondContact O-N 3.27Å; T91-I94 PolarHBondContact O-N 3.14Å; T91-Y95 HydrophobicContact CG2-CE1 4.36Å; T91-Y95 PolarHBondContact O-N 2.92Å; T91-Y95 VanDerWaalsContact O-N 3.07Å; T91-V172 HydrophobicContact CG2-CB 4.42Å; T91-V172 HydrophobicContact CG2-CG2 3.73Å |
| 92 | P | 88 | Confident | 85.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.8 | -25.3 | 175.2 | 28.6 | -33.8 | 0 | 0 | 0 | 112.3 | G89 Y95 R96 V150 K151 M154 V172 | G89-P92 VanDerWaalsContact C-CD 3.42Å; G89-P92 WeakPolarHBondContact O-CD 3.45Å; G89-P92 WeakPolarHBondContact O-CG 3.45Å; P92-Y95 PolarHBondContact O-N 3.27Å; P92-R96 WeakPolarHBondContact O-CB 3.27Å; P92-R96 PolarHBondContact O-N 3.4Å; P92-V150 HydrophobicContact CB-CB 4.31Å; P92-V150 HydrophobicContact CB-CG1 3.95Å; P92-V150 HydrophobicContact CG-CG1 4.3Å; P92-K151 HydrophobicContact CB-CB 4.17Å; P92-K151 HydrophobicContact CG-CB 4.05Å; P92-M154 HydrophobicContact CG-SD 4Å; P92-V172 HydrophobicContact CB-CG1 4.36Å; P92-V172 HydrophobicContact CB-CG2 4.47Å; P92-V172 HydrophobicContact CG-CG2 4.24Å |
| 93 | A | 86.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.8 | -37.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E33 F37 G89 V90 T91 R96 H97 K151 | E33-A93 HydrophobicContact CG-CB 4.25Å; F37-A93 HydrophobicContact CE2-CB 3.74Å; G89-A93 PolarHBondContact O-N 3.49Å; V90-A93 CarbonylContact O-C 3.6Å; V90-A93 WeakPolarHBondContact O-CA 3.47Å; V90-A93 VanDerWaalsContact O-CB 3.29Å; V90-A93 WeakPolarHBondContact O-CB 3.4Å; V90-A93 PolarHBondContact O-N 3.47Å; T91-A93 PolarHBondContact O-N 3.27Å; A93-R96 WeakPolarHBondContact O-CB 3.3Å; A93-R96 PolarHBondContact O-N 3.17Å; A93-H97 PolarHBondContact O-CD2 3.31Å; A93-H97 PolarHBondContact O-N 2.96Å; A93-H97 VanDerWaalsContact O-N 3.08Å; A93-K151 HydrophobicContact CB-CD 3.75Å; A93-K151 HydrophobicContact CB-CG 4.4Å |
| 94 | I | 87.9 | Confident | 84.9 | Confident | 45 Ų | 45 | 48.5 Ų | 48.5 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.9 | -45.8 | 173.1 | -64.1 | 169.8 | 0 | 0 | 0 | 110.1 | T30 V90 T91 R96 H97 V98 | T30-I94 HydrophobicContact CG2-CD1 3.85Å; T30-I94 HydrophobicContact CG2-CG1 4.01Å; T30-I94 HydrophobicContact CG2-CG2 4.47Å; V90-I94 HydrophobicContact CG2-CD1 4.31Å; V90-I94 WeakPolarHBondContact O-CG1 3.37Å; V90-I94 PolarHBondContact O-N 3.06Å; T91-I94 PolarHBondContact O-N 3.14Å; I94-R96 VanDerWaalsContact C-N 3.26Å; I94-R96 PolarHBondContact O-N 2.98Å; I94-H97 WeakPolarHBondContact O-CB 3.47Å; I94-H97 PolarHBondContact O-N 3.4Å; I94-H97 VanDerWaalsContact O-N 3.07Å; I94-V98 PolarHBondContact O-N 3.23Å; I94-V98 VanDerWaalsContact O-N 3.13Å |
| 95 | Y | 88.8 | Confident | 84.3 | Confident | 93 Ų | 93 | 45.3 Ų | 45.3 | 37% | 0.365 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.4 | -41.8 | 175.9 | -72.7 | 4 | 0 | 0 | 0 | 111.6 | T91 P92 H97 V98 V99 V172 H173 F176 | T91-Y95 HydrophobicContact CG2-CE1 4.36Å; T91-Y95 PolarHBondContact O-N 2.92Å; T91-Y95 VanDerWaalsContact O-N 3.07Å; P92-Y95 PolarHBondContact O-N 3.27Å; Y95-H97 VanDerWaalsContact C-N 3.34Å; Y95-H97 PolarHBondContact O-N 3.14Å; Y95-V98 PolarHBondContact O-N 2.71Å; Y95-V99 WeakPolarHBondContact O-CG2 3.46Å; Y95-V99 PolarHBondContact O-N 2.92Å; Y95-V172 HydrophobicContact CD2-CG1 4.23Å; Y95-V172 HydrophobicContact CE2-CG1 4.06Å; Y95-H173 PolarHBondContact OH-CE1 2.97Å; Y95-H173 VanDerWaalsContact OH-CE1 3.32Å; Y95-F176 HydrophobicContact CD2-CE2 4.44Å |
| 96 | R | 86.3 | Confident | 84.1 | Confident | 41 Ų | 41 | 45.6 Ų | 45.6 | 16% | 0.155 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.2 | -45.6 | 174.1 | -175.2 | -157.9 | 69.8 | 83.4 | -3.7 | 111.7 | P92 A93 I94 V98 V99 Y100 A144 T147 D148 | P92-R96 WeakPolarHBondContact O-CB 3.27Å; P92-R96 PolarHBondContact O-N 3.4Å; A93-R96 WeakPolarHBondContact O-CB 3.3Å; A93-R96 PolarHBondContact O-N 3.17Å; I94-R96 VanDerWaalsContact C-N 3.26Å; I94-R96 PolarHBondContact O-N 2.98Å; R96-V98 VanDerWaalsContact C-N 3.32Å; R96-V98 PolarHBondContact O-N 3.14Å; R96-V99 PolarHBondContact O-N 3.43Å; R96-Y100 WeakPolarHBondContact O-CB 3.47Å; R96-Y100 PolarHBondContact O-N 3.32Å; R96-A144 HydrophobicContact CG-CB 4.26Å; R96-T147 WeakPolarHBondContact CA-OG1 3.36Å; R96-T147 WeakPolarHBondContact CB-OG1 3.39Å; R96-D148 WeakPolarHBondContact CD-OD1 3.36Å; R96-D148 VanDerWaalsContact CG-OD1 3.25Å; R96-D148 WeakPolarHBondContact CG-OD1 3.36Å |
| 97 | H | 82.6 | Confident | 83.9 | Confident | 19 Ų | 19 | 46 Ų | 46 | 9% | 0.088 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 178.1 | -79.7 | -64.7 | 0 | 0 | 0 | 111.7 | E33 A93 I94 Y95 S101 | E33-H97 IonicContact OE2-CD2 3.96Å; E33-H97 IonicContact OE2-CE1 2.87Å; E33-H97 IonicContact OE2-NE2 3.89Å; E33-H97 PolarHBondContact OE2-NE2 3.48Å; A93-H97 PolarHBondContact O-CD2 3.31Å; A93-H97 PolarHBondContact O-N 2.96Å; A93-H97 VanDerWaalsContact O-N 3.08Å; I94-H97 WeakPolarHBondContact O-CB 3.47Å; I94-H97 PolarHBondContact O-N 3.4Å; I94-H97 VanDerWaalsContact O-N 3.07Å; Y95-H97 VanDerWaalsContact C-N 3.34Å; Y95-H97 PolarHBondContact O-N 3.14Å; H97-S101 WeakPolarHBondContact O-CB 3.21Å; H97-S101 PolarHBondContact O-N 3.33Å; H97-S101 PolarHBondContact O-OG 3.46Å |
| 98 | V | 83.6 | Confident | 83.4 | Confident | 86 Ų | 86 | 46 Ų | 46 | 52% | 0.521 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.1 | -50.3 | 177.7 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | I94 Y95 R96 G102 | I94-V98 PolarHBondContact O-N 3.23Å; I94-V98 VanDerWaalsContact O-N 3.13Å; Y95-V98 PolarHBondContact O-N 2.71Å; R96-V98 VanDerWaalsContact C-N 3.32Å; R96-V98 PolarHBondContact O-N 3.14Å; V98-G102 PolarHBondContact O-N 3.38Å |
| 99 | V | 86.1 | Confident | 83 | Confident | 56 Ų | 56 | 47.3 Ų | 47.3 | 34% | 0.339 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.2 | -45.5 | -177.8 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | Y95 R96 G103 L143 A144 T147 | Y95-V99 WeakPolarHBondContact O-CG2 3.46Å; Y95-V99 PolarHBondContact O-N 2.92Å; R96-V99 PolarHBondContact O-N 3.43Å; V99-G103 PolarHBondContact O-N 3.02Å; V99-L143 HydrophobicContact CG1-CB 4.21Å; V99-A144 HydrophobicContact CG1-CB 4.28Å; V99-T147 HydrophobicContact CG2-CG2 4.47Å |
| 100 | Y | 83.1 | Confident | 82.8 | Confident | 49 Ų | 49 | 52.4 Ų | 52.4 | 19% | 0.192 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.3 | -47.8 | -180 | 178.3 | -100.9 | 0 | 0 | 0 | 111.5 | R96 R104 Q141 A144 | R96-Y100 WeakPolarHBondContact O-CB 3.47Å; R96-Y100 PolarHBondContact O-N 3.32Å; Y100-R104 WeakPolarHBondContact O-CB 3.42Å; Y100-R104 PolarHBondContact O-N 3.23Å; Y100-Q141 HydrophobicContact CE2-CB 4.47Å; Y100-A144 HydrophobicContact CD2-CB 4.36Å |
| 101 | S | 76.8 | Confident | 82.3 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 31% | 0.308 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.7 | -43.8 | -177.4 | -51.1 | 0 | 0 | 0 | 0 | 110.9 | F22 H97 M105 | F22-S101 VanDerWaalsContact CE2-CB 3.49Å; H97-S101 WeakPolarHBondContact O-CB 3.21Å; H97-S101 PolarHBondContact O-N 3.33Å; H97-S101 PolarHBondContact O-OG 3.46Å; S101-M105 VanDerWaalsContact O-CB 3.23Å; S101-M105 WeakPolarHBondContact O-CB 3.28Å; S101-M105 PolarHBondContact O-N 3.26Å |
| 102 | G | 78.1 | Confident | 81.5 | Confident | 23 Ų | 23 | 55.5 Ų | 55.5 | 24% | 0.237 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62 | -49.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V98 R104 M105 V106 | V98-G102 PolarHBondContact O-N 3.38Å; G102-R104 PolarHBondContact O-N 3.27Å; G102-M105 PolarHBondContact O-N 2.98Å; G102-V106 WeakPolarHBondContact O-CG2 3.44Å; G102-V106 PolarHBondContact O-N 3.43Å |
| 103 | G | 80.4 | Confident | 80.9 | Confident | 10 Ų | 10 | 61.4 Ų | 61.4 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | V99 T107 | V99-G103 PolarHBondContact O-N 3.02Å; G103-T107 VanDerWaalsContact O-CB 3.26Å; G103-T107 WeakPolarHBondContact O-CB 3.39Å; G103-T107 PolarHBondContact O-N 3.32Å; G103-T107 PolarHBondContact O-OG1 3.48Å |
| 104 | R | 78.7 | Confident | 80.1 | Confident | 116 Ų | 116 | 66 Ų | 66 | 44% | 0.438 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 176.2 | 179.9 | -179.8 | 171.1 | 176.5 | -4.2 | 111.5 | Y100 G102 T107 Y108 A136 | Y100-R104 WeakPolarHBondContact O-CB 3.42Å; Y100-R104 PolarHBondContact O-N 3.23Å; G102-R104 PolarHBondContact O-N 3.27Å; R104-T107 PolarHBondContact O-N 3.33Å; R104-Y108 WeakPolarHBondContact O-CB 3.33Å; R104-Y108 PolarHBondContact O-N 3.12Å; R104-A136 HydrophobicContact CG-CB 4.3Å |
| 105 | M | 75.7 | Confident | 79 | Confident | 76 Ų | 76 | 68.2 Ų | 68.2 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.3 | -53.6 | -179.6 | -173.2 | 81.3 | 168.5 | 0 | 0 | 111.1 | S101 G102 T107 Y108 E109 | S101-M105 VanDerWaalsContact O-CB 3.23Å; S101-M105 WeakPolarHBondContact O-CB 3.28Å; S101-M105 PolarHBondContact O-N 3.26Å; G102-M105 PolarHBondContact O-N 2.98Å; M105-T107 VanDerWaalsContact C-N 3.31Å; M105-T107 PolarHBondContact O-N 2.87Å; M105-Y108 PolarHBondContact O-N 3.12Å; M105-E109 PolarHBondContact O-N 2.94Å |
| 106 | V | 81.6 | Confident | 77.9 | Confident | 98 Ų | 98 | 65.3 Ų | 65.3 | 59% | 0.594 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.1 | -44.8 | 179.9 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | G102 H110 | G102-V106 WeakPolarHBondContact O-CG2 3.44Å; G102-V106 PolarHBondContact O-N 3.43Å; V106-H110 VanDerWaalsContact O-CB 3.31Å; V106-H110 WeakPolarHBondContact O-CB 3.5Å; V106-H110 PolarHBondContact O-N 3.1Å |
| 107 | T | 81.8 | Confident | 76.5 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 179.6 | -52 | 0 | 0 | 0 | 0 | 111.5 | G103 R104 M105 H110 L111 A136 I139 | G103-T107 VanDerWaalsContact O-CB 3.26Å; G103-T107 WeakPolarHBondContact O-CB 3.39Å; G103-T107 PolarHBondContact O-N 3.32Å; G103-T107 PolarHBondContact O-OG1 3.48Å; R104-T107 PolarHBondContact O-N 3.33Å; M105-T107 VanDerWaalsContact C-N 3.31Å; M105-T107 PolarHBondContact O-N 2.87Å; T107-H110 PolarHBondContact O-N 3.38Å; T107-L111 HydrophobicContact CG2-CD1 3.92Å; T107-L111 HydrophobicContact CG2-CG 4.21Å; T107-L111 WeakPolarHBondContact O-CB 3.38Å; T107-L111 WeakPolarHBondContact O-CG 3.29Å; T107-L111 PolarHBondContact O-N 3.47Å; T107-A136 HydrophobicContact CG2-CB 4.03Å; T107-I139 HydrophobicContact CG2-CB 3.96Å; T107-I139 HydrophobicContact CG2-CD1 3.49Å; T107-I139 VanDerWaalsContact CG2-CD1 3.49Å; T107-I139 HydrophobicContact CG2-CG1 4.29Å; T107-I139 HydrophobicContact CG2-CG2 4.03Å; T107-I139 WeakPolarHBondContact OG1-CG2 3.21Å |
| 108 | Y | 77.5 | Confident | 75.2 | Confident | 75 Ų | 75 | 73.2 Ų | 73.2 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 178.7 | -176.8 | -101.1 | 0 | 0 | 0 | 111.9 | R104 M105 L111 R112 A136 | R104-Y108 WeakPolarHBondContact O-CB 3.33Å; R104-Y108 PolarHBondContact O-N 3.12Å; M105-Y108 PolarHBondContact O-N 3.12Å; Y108-L111 PolarHBondContact O-N 3.17Å; Y108-R112 VanDerWaalsContact O-CB 3.31Å; Y108-R112 WeakPolarHBondContact O-CB 3.18Å; Y108-R112 PolarHBondContact O-N 3.32Å; Y108-A136 HydrophobicContact CD2-CB 4.38Å |
| 109 | E | 77.7 | Confident | 73.5 | Confident | 57 Ų | 57 | 71.5 Ų | 71.5 | 27% | 0.266 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 174.6 | -72.5 | -175.5 | 144.9 | 0 | 0 | 110.7 | R18 M105 L111 R112 E113 | R18-E109 IonicContact CZ-OE1 2.62Å; R18-E109 IonicContact NH1-OE1 2.83Å; R18-E109 PolarHBondContact NH1-OE1 3.37Å; M105-E109 PolarHBondContact O-N 2.94Å; E109-L111 PolarHBondContact O-N 3.06Å; E109-R112 PolarHBondContact O-N 2.97Å; E109-E113 WeakPolarHBondContact O-CB 3.39Å; E109-E113 WeakPolarHBondContact O-CG 3.31Å; E109-E113 PolarHBondContact O-N 2.95Å |
| 110 | H | 80.8 | Confident | 71.8 | Confident | 111 Ų | 111 | 78.6 Ų | 78.6 | 51% | 0.514 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 177.3 | -171.1 | 71.8 | 0 | 0 | 0 | 112.9 | V106 T107 R112 E113 V114 | V106-H110 VanDerWaalsContact O-CB 3.31Å; V106-H110 WeakPolarHBondContact O-CB 3.5Å; V106-H110 PolarHBondContact O-N 3.1Å; T107-H110 PolarHBondContact O-N 3.38Å; H110-R112 VanDerWaalsContact C-N 3.34Å; H110-R112 PolarHBondContact O-N 2.96Å; H110-E113 PolarHBondContact O-N 2.87Å; H110-V114 WeakPolarHBondContact O-CB 3.43Å; H110-V114 WeakPolarHBondContact O-CG2 3.46Å; H110-V114 PolarHBondContact O-N 3.5Å |
| 111 | L | 79 | Confident | 70.2 | Confident | 24 Ų | 24 | 82.4 Ų | 82.4 | 13% | 0.126 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 176.2 | -73.6 | 172.4 | 0 | 0 | 0 | 111.5 | T107 Y108 E109 V115 F116 G132 M135 A136 | T107-L111 HydrophobicContact CG2-CD1 3.92Å; T107-L111 HydrophobicContact CG2-CG 4.21Å; T107-L111 WeakPolarHBondContact O-CB 3.38Å; T107-L111 WeakPolarHBondContact O-CG 3.29Å; T107-L111 PolarHBondContact O-N 3.47Å; Y108-L111 PolarHBondContact O-N 3.17Å; E109-L111 PolarHBondContact O-N 3.06Å; L111-V115 HydrophobicContact CD2-CG2 3.68Å; L111-V115 WeakPolarHBondContact O-CA 3.18Å; L111-V115 VanDerWaalsContact O-CB 3.26Å; L111-V115 WeakPolarHBondContact O-CB 3.29Å; L111-V115 PolarHBondContact O-N 3.3Å; L111-F116 WeakPolarHBondContact O-CD2 3.36Å; L111-F116 PolarHBondContact O-N 3.15Å; L111-G132 WeakPolarHBondContact CD1-O 3.25Å; L111-M135 HydrophobicContact CD1-CB 3.63Å; L111-A136 HydrophobicContact CD1-CB 4.13Å |
| 112 | R | 71.7 | Confident | 69.1 | Low | 124 Ų | 124 | 89.4 Ų | 89.4 | 47% | 0.468 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 176 | -169.7 | -179.4 | -178.9 | -171.7 | -0.7 | 111.6 | Y108 E109 H110 G117 Y124 | Y108-R112 VanDerWaalsContact O-CB 3.31Å; Y108-R112 WeakPolarHBondContact O-CB 3.18Å; Y108-R112 PolarHBondContact O-N 3.32Å; E109-R112 PolarHBondContact O-N 2.97Å; H110-R112 VanDerWaalsContact C-N 3.34Å; H110-R112 PolarHBondContact O-N 2.96Å; R112-G117 PolarHBondContact O-N 3.43Å; R112-Y124 HydrophobicContact CG-CE1 4.07Å; R112-Y124 HydrophobicContact CG-CE2 4.26Å; R112-Y124 WeakPolarHBondContact CG-OH 3.48Å; R112-Y124 PolarHBondContact O-OH 3.02Å |
| 113 | E | 74.2 | Confident | 68 | Low | 123 Ų | 123 | 95.9 Ų | 95.9 | 58% | 0.575 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -74.5 | -42.6 | -177.4 | -71.9 | 174.4 | -179.5 | 0 | 0 | 112.9 | E109 H110 | E109-E113 WeakPolarHBondContact O-CB 3.39Å; E109-E113 WeakPolarHBondContact O-CG 3.31Å; E109-E113 PolarHBondContact O-N 2.95Å; H110-E113 PolarHBondContact O-N 2.87Å |
| 114 | V | 69.9 | Low | 67 | Low | 97 Ų | 97 | 97.1 Ų | 97.1 | 59% | 0.588 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -94.5 | -42.2 | -170.7 | 178.4 | 0 | 0 | 0 | 0 | 113.1 | H110 | H110-V114 WeakPolarHBondContact O-CB 3.43Å; H110-V114 WeakPolarHBondContact O-CG2 3.46Å; H110-V114 PolarHBondContact O-N 3.5Å |
| 115 | V | 65.2 | Low | 66.6 | Low | 92 Ų | 92 | 93.7 Ų | 93.7 | 56% | 0.558 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -38.2 | -170 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | L111 | L111-V115 HydrophobicContact CD2-CG2 3.68Å; L111-V115 WeakPolarHBondContact O-CA 3.18Å; L111-V115 VanDerWaalsContact O-CB 3.26Å; L111-V115 WeakPolarHBondContact O-CB 3.29Å; L111-V115 PolarHBondContact O-N 3.3Å |
| 116 | F | 64.7 | Low | 66.2 | Low | 31 Ų | 31 | 97.1 Ų | 97.1 | 14% | 0.136 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -104.9 | -11.5 | -172 | -64.8 | -59 | 0 | 0 | 0 | 113.4 | L111 Y124 K128 I131 | L111-F116 WeakPolarHBondContact O-CD2 3.36Å; L111-F116 PolarHBondContact O-N 3.15Å; F116-Y124 HydrophobicContact CB-CE1 3.42Å; F116-Y124 VanDerWaalsContact CB-CE1 3.42Å; F116-Y124 VanDerWaalsContact CB-CZ 3.43Å; F116-Y124 WeakPolarHBondContact CB-OH 3.44Å; F116-Y124 HydrophobicContact CD2-CE1 4.03Å; F116-Y124 AromaticContact CG-CE1 3.85Å; F116-Y124 HydrophobicContact CG-CE1 3.85Å; F116-K128 HydrophobicContact CB-CD 4.48Å; F116-K128 HydrophobicContact CD1-CB 3.62Å; F116-K128 HydrophobicContact CD1-CD 3.57Å; F116-K128 HydrophobicContact CD1-CG 3.61Å; F116-K128 HydrophobicContact CE1-CB 3.54Å; F116-K128 HydrophobicContact CE1-CD 4.15Å; F116-K128 HydrophobicContact CE1-CG 3.64Å; F116-K128 WeakPolarHBondContact CE2-O 3.11Å; F116-K128 HydrophobicContact CG-CB 4.17Å; F116-K128 HydrophobicContact CG-CD 4.31Å; F116-K128 HydrophobicContact CZ-CB 4.06Å; F116-K128 WeakPolarHBondContact CZ-O 3.34Å; F116-I131 HydrophobicContact CZ-CB 4.39Å; F116-I131 HydrophobicContact CZ-CG2 4.41Å |
| 117 | G | 57.3 | Low | 65.6 | Low | 30 Ų | 30 | 100 Ų | 100 | 31% | 0.309 | 49% | 0.487 | S | S | . | . | trans | 67 | 158.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R112 S119 Y124 | R112-G117 PolarHBondContact O-N 3.43Å; G117-S119 PolarHBondContact O-N 3.49Å; G117-Y124 WeakPolarHBondContact O-CE2 3.22Å; G117-Y124 PolarHBondContact O-OH 3.09Å | ||
| 118 | K | 55.1 | Low | 65.2 | Low | 197 Ų | 197 | 101.4 Ų | 101.4 | 86% | 0.857 | 49% | 0.492 | S | S | * | . | trans | -70 | 99.2 | 162.8 | -75.8 | -178.2 | 178 | 177.6 | 0 | 107 | E120 | K118-E120 PolarHBondContact O-N 2.87Š| ||
| 119 | S | 48.1 | Very low | 64.8 | Low | 49 Ų | 49 | 99.3 Ų | 99.3 | 34% | 0.343 | 49% | 0.488 | S | S | . | . | trans | -58.4 | 129.8 | 161.2 | -67.2 | 0 | 0 | 0 | 0 | 107.7 | G117 D121 | G117-S119 PolarHBondContact O-N 3.49Å; S119-D121 PolarHBondContact O-N 3.03Å | ||
| 120 | E | 51.4 | Low | 64.6 | Low | 205 Ų | 205 | 99.5 Ų | 99.5 | 96% | 0.958 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -61.4 | -20.2 | 172.3 | -72.3 | -178.5 | 146.2 | 0 | 0 | 111.7 | K118 | K118-E120 PolarHBondContact O-N 2.87Š|
| 121 | D | 48.3 | Very low | 64.5 | Low | 129 Ų | 129 | 98 Ų | 98 | 69% | 0.69 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -84.7 | 127.8 | 169.4 | -65.3 | -43.2 | 0 | 0 | 0 | 111.8 | S119 H123 | S119-D121 PolarHBondContact O-N 3.03Å; D121-H123 PolarHBondContact O-N 3.31Å |
| 122 | E | 55.2 | Low | 64.4 | Low | 192 Ų | 192 | 97 Ų | 97 | 90% | 0.897 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -58.1 | -8.9 | -179.3 | -144.1 | 171.3 | -175.6 | 0 | 0 | 114.2 | ||
| 123 | H | 53.1 | Low | 64.7 | Low | 159 Ų | 159 | 91.9 Ų | 91.9 | 74% | 0.736 | 47% | 0.469 | S | S | * | . | trans | -105.6 | 102.6 | -178.7 | -67.6 | 86.4 | 0 | 0 | 0 | 112.3 | D121 | D121-H123 PolarHBondContact O-N 3.31Š| ||
| 124 | Y | 60.3 | Low | 64.9 | Low | 36 Ų | 36 | 89.4 Ų | 89.4 | 14% | 0.141 | 46% | 0.458 | C | S | . | . | trans | -69.5 | 128.6 | 169.8 | -122.9 | -112.8 | 0 | 0 | 0 | 110.7 | R112 F116 G117 L126 K128 | R112-Y124 HydrophobicContact CG-CE1 4.07Å; R112-Y124 HydrophobicContact CG-CE2 4.26Å; R112-Y124 WeakPolarHBondContact CG-OH 3.48Å; R112-Y124 PolarHBondContact O-OH 3.02Å; F116-Y124 HydrophobicContact CB-CE1 3.42Å; F116-Y124 VanDerWaalsContact CB-CE1 3.42Å; F116-Y124 VanDerWaalsContact CB-CZ 3.43Å; F116-Y124 WeakPolarHBondContact CB-OH 3.44Å; F116-Y124 HydrophobicContact CD2-CE1 4.03Å; F116-Y124 AromaticContact CG-CE1 3.85Å; F116-Y124 HydrophobicContact CG-CE1 3.85Å; G117-Y124 WeakPolarHBondContact O-CE2 3.22Å; G117-Y124 PolarHBondContact O-OH 3.09Å; Y124-L126 PolarHBondContact O-N 3.2Å; Y124-K128 HydrophobicContact CD1-CB 4.26Å; Y124-K128 HydrophobicContact CE1-CB 4.4Å | ||
| 125 | P | 69.2 | Low | 65.5 | Low | 44 Ų | 44 | 89.5 Ų | 89.5 | 29% | 0.286 | 45% | 0.453 | S | S | . | . | trans | -55.7 | 127.8 | 175.3 | -23.1 | 31.5 | 0 | 0 | 0 | 110.7 | W127 K128 S129 | P125-W127 PolarHBondContact O-N 3.36Å; P125-W127 VanDerWaalsContact O-N 3.15Å; P125-K128 HydrophobicContact CB-CB 4.45Å; P125-K128 HydrophobicContact CB-CD 4.29Å; P125-K128 HydrophobicContact CB-CG 4.21Å; P125-K128 HydrophobicContact CG-CD 3.93Å; P125-K128 HydrophobicContact CG-CG 4.41Å; P125-K128 WeakPolarHBondContact O-CB 3.26Å; P125-K128 PolarHBondContact O-N 3.1Å; P125-S129 PolarHBondContact O-N 2.93Å | ||
| 126 | L | 68.3 | Low | 66.3 | Low | 147 Ų | 147 | 85.1 Ų | 85.1 | 77% | 0.77 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -52.8 | -41 | -175.4 | -70.1 | 172.4 | 0 | 0 | 0 | 112.3 | Y124 K128 S129 V130 | Y124-L126 PolarHBondContact O-N 3.2Å; L126-K128 VanDerWaalsContact C-N 3.35Å; L126-K128 PolarHBondContact O-N 3.13Å; L126-S129 WeakPolarHBondContact O-CB 3.33Å; L126-S129 PolarHBondContact O-N 3.28Å; L126-V130 VanDerWaalsContact O-CG2 3.28Å; L126-V130 WeakPolarHBondContact O-CG2 3.31Å; L126-V130 PolarHBondContact O-N 2.85Å |
| 127 | W | 69.9 | Low | 67.1 | Low | 158 Ų | 158 | 84.3 Ų | 84.3 | 60% | 0.598 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.4 | -36 | 179.3 | 73.4 | -92.7 | 0 | 0 | 0 | 113.2 | P125 V130 I131 | P125-W127 PolarHBondContact O-N 3.36Å; P125-W127 VanDerWaalsContact O-N 3.15Å; W127-V130 PolarHBondContact O-N 3.23Å; W127-I131 HydrophobicContact CE3-CD1 3.59Å; W127-I131 HydrophobicContact CZ3-CD1 3.79Å; W127-I131 WeakPolarHBondContact O-CG1 3.42Å; W127-I131 PolarHBondContact O-N 3.2Å |
| 128 | K | 72.5 | Confident | 68.4 | Low | 49 Ų | 49 | 85.2 Ų | 85.2 | 21% | 0.213 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 175.1 | -72 | -175.5 | 175.6 | -178.1 | 0 | 110.4 | F116 Y124 P125 L126 V130 I131 G132 | F116-K128 HydrophobicContact CB-CD 4.48Å; F116-K128 HydrophobicContact CD1-CB 3.62Å; F116-K128 HydrophobicContact CD1-CD 3.57Å; F116-K128 HydrophobicContact CD1-CG 3.61Å; F116-K128 HydrophobicContact CE1-CB 3.54Å; F116-K128 HydrophobicContact CE1-CD 4.15Å; F116-K128 HydrophobicContact CE1-CG 3.64Å; F116-K128 WeakPolarHBondContact CE2-O 3.11Å; F116-K128 HydrophobicContact CG-CB 4.17Å; F116-K128 HydrophobicContact CG-CD 4.31Å; F116-K128 HydrophobicContact CZ-CB 4.06Å; F116-K128 WeakPolarHBondContact CZ-O 3.34Å; Y124-K128 HydrophobicContact CD1-CB 4.26Å; Y124-K128 HydrophobicContact CE1-CB 4.4Å; P125-K128 HydrophobicContact CB-CB 4.45Å; P125-K128 HydrophobicContact CB-CD 4.29Å; P125-K128 HydrophobicContact CB-CG 4.21Å; P125-K128 HydrophobicContact CG-CD 3.93Å; P125-K128 HydrophobicContact CG-CG 4.41Å; P125-K128 WeakPolarHBondContact O-CB 3.26Å; P125-K128 PolarHBondContact O-N 3.1Å; L126-K128 VanDerWaalsContact C-N 3.35Å; L126-K128 PolarHBondContact O-N 3.13Å; K128-V130 VanDerWaalsContact C-N 3.3Å; K128-V130 PolarHBondContact O-N 3.34Å; K128-I131 PolarHBondContact O-N 3.34Å; K128-G132 PolarHBondContact O-N 3.17Å |
| 129 | S | 69.8 | Low | 69.9 | Low | 31 Ų | 31 | 79 Ų | 79 | 22% | 0.217 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 175.8 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | P125 L126 G133 | P125-S129 PolarHBondContact O-N 2.93Å; L126-S129 WeakPolarHBondContact O-CB 3.33Å; L126-S129 PolarHBondContact O-N 3.28Å; S129-G133 PolarHBondContact O-N 2.84Å |
| 130 | V | 73.4 | Confident | 71.6 | Confident | 61 Ų | 61 | 76.6 Ų | 76.6 | 37% | 0.37 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.3 | -51.3 | 175.4 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | L126 W127 K128 G132 G133 M134 L207 | L126-V130 VanDerWaalsContact O-CG2 3.28Å; L126-V130 WeakPolarHBondContact O-CG2 3.31Å; L126-V130 PolarHBondContact O-N 2.85Å; W127-V130 PolarHBondContact O-N 3.23Å; K128-V130 VanDerWaalsContact C-N 3.3Å; K128-V130 PolarHBondContact O-N 3.34Å; V130-G132 PolarHBondContact O-N 3.27Å; V130-G133 PolarHBondContact O-N 3.09Å; V130-M134 HydrophobicContact CG1-SD 4.09Å; V130-M134 VanDerWaalsContact O-CG 3.32Å; V130-M134 WeakPolarHBondContact O-CG 3.49Å; V130-M134 PolarHBondContact O-N 3.22Å; V130-L207 HydrophobicContact CG1-CD1 3.8Å; V130-L207 HydrophobicContact CG1-CD2 4.34Å |
| 131 | I | 77.8 | Confident | 73.2 | Confident | 80 Ų | 80 | 67.9 Ų | 67.9 | 41% | 0.41 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 179.1 | -66.7 | 175 | 0 | 0 | 0 | 111 | F116 W127 K128 G133 M134 M135 | F116-I131 HydrophobicContact CZ-CB 4.39Å; F116-I131 HydrophobicContact CZ-CG2 4.41Å; W127-I131 HydrophobicContact CE3-CD1 3.59Å; W127-I131 HydrophobicContact CZ3-CD1 3.79Å; W127-I131 WeakPolarHBondContact O-CG1 3.42Å; W127-I131 PolarHBondContact O-N 3.2Å; K128-I131 PolarHBondContact O-N 3.34Å; I131-G133 VanDerWaalsContact C-N 3.33Å; I131-G133 PolarHBondContact O-N 3.31Å; I131-M134 PolarHBondContact O-N 3.24Å; I131-M135 HydrophobicContact CG2-CG 4.4Å; I131-M135 WeakPolarHBondContact O-CB 3.2Å; I131-M135 WeakPolarHBondContact O-CG 3.34Å; I131-M135 PolarHBondContact O-N 3.31Å |
| 132 | G | 77.2 | Confident | 75.2 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L111 K128 V130 A136 | L111-G132 WeakPolarHBondContact CD1-O 3.25Å; K128-G132 PolarHBondContact O-N 3.17Å; V130-G132 PolarHBondContact O-N 3.27Å; G132-A136 WeakPolarHBondContact O-CB 3.26Å; G132-A136 PolarHBondContact O-N 3.34Å |
| 133 | G | 77.3 | Confident | 76.7 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S129 V130 I131 G137 | S129-G133 PolarHBondContact O-N 2.84Å; V130-G133 PolarHBondContact O-N 3.09Å; I131-G133 VanDerWaalsContact C-N 3.33Å; I131-G133 PolarHBondContact O-N 3.31Å; G133-G137 PolarHBondContact O-N 2.98Å |
| 134 | M | 79.2 | Confident | 78.4 | Confident | 71 Ų | 71 | 52.3 Ų | 52.3 | 35% | 0.35 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.4 | -48.3 | 176.9 | -73.2 | 178 | 71.9 | 0 | 0 | 111.6 | V130 I131 G137 V138 N203 L207 | V130-M134 HydrophobicContact CG1-SD 4.09Å; V130-M134 VanDerWaalsContact O-CG 3.32Å; V130-M134 WeakPolarHBondContact O-CG 3.49Å; V130-M134 PolarHBondContact O-N 3.22Å; I131-M134 PolarHBondContact O-N 3.24Å; M134-G137 WeakPolarHBondContact O-CA 3.33Å; M134-G137 PolarHBondContact O-N 3.47Å; M134-G137 VanDerWaalsContact O-N 3.15Å; M134-V138 WeakPolarHBondContact O-CG2 3.32Å; M134-V138 PolarHBondContact O-N 2.88Å; M134-N203 HydrophobicContact CE-CB 4.11Å; M134-L207 HydrophobicContact SD-CD1 3.77Å |
| 135 | M | 82.3 | Confident | 79.8 | Confident | 99 Ų | 99 | 50.7 Ų | 50.7 | 49% | 0.488 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 178.4 | -72 | -64.1 | -70.3 | 0 | 0 | 111.6 | L111 I131 G137 V138 I139 | L111-M135 HydrophobicContact CD1-CB 3.63Å; I131-M135 HydrophobicContact CG2-CG 4.4Å; I131-M135 WeakPolarHBondContact O-CB 3.2Å; I131-M135 WeakPolarHBondContact O-CG 3.34Å; I131-M135 PolarHBondContact O-N 3.31Å; M135-G137 VanDerWaalsContact C-N 3.28Å; M135-G137 PolarHBondContact O-N 2.96Å; M135-V138 PolarHBondContact O-N 3.32Å; M135-I139 WeakPolarHBondContact O-CG1 3.37Å; M135-I139 PolarHBondContact O-N 3.43Å |
| 136 | A | 82.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R104 T107 Y108 L111 G132 G140 | R104-A136 HydrophobicContact CG-CB 4.3Å; T107-A136 HydrophobicContact CG2-CB 4.03Å; Y108-A136 HydrophobicContact CD2-CB 4.38Å; L111-A136 HydrophobicContact CD1-CB 4.13Å; G132-A136 WeakPolarHBondContact O-CB 3.26Å; G132-A136 PolarHBondContact O-N 3.34Å; A136-G140 PolarHBondContact O-N 3.18Å |
| 137 | G | 81.2 | Confident | 81.9 | Confident | 14 Ų | 14 | 42.7 Ų | 42.7 | 14% | 0.144 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.2 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G133 M134 M135 Q141 | G133-G137 PolarHBondContact O-N 2.98Å; M134-G137 WeakPolarHBondContact O-CA 3.33Å; M134-G137 PolarHBondContact O-N 3.47Å; M134-G137 VanDerWaalsContact O-N 3.15Å; M135-G137 VanDerWaalsContact C-N 3.28Å; M135-G137 PolarHBondContact O-N 2.96Å; G137-Q141 WeakPolarHBondContact O-CB 3.07Å; G137-Q141 PolarHBondContact O-N 2.84Å |
| 138 | V | 84.4 | Confident | 82.8 | Confident | 49 Ų | 49 | 35.7 Ų | 35.7 | 30% | 0.297 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.6 | -46.6 | 177.4 | 171.6 | 0 | 0 | 0 | 0 | 111 | M134 M135 Q141 F142 I196 | M134-V138 WeakPolarHBondContact O-CG2 3.32Å; M134-V138 PolarHBondContact O-N 2.88Å; M135-V138 PolarHBondContact O-N 3.32Å; V138-Q141 PolarHBondContact O-N 3.41Å; V138-F142 WeakPolarHBondContact O-CB 3.22Å; V138-F142 PolarHBondContact O-N 2.84Å; V138-I196 HydrophobicContact CG1-CD1 3.99Å; V138-I196 HydrophobicContact CG1-CG1 4.41Å; V138-I196 HydrophobicContact CG1-CG2 4.3Å |
| 139 | I | 86.1 | Confident | 83.6 | Confident | 66 Ų | 66 | 33.3 Ų | 33.3 | 34% | 0.338 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.1 | -45.4 | 178 | -67.7 | 166.3 | 0 | 0 | 0 | 110.4 | T107 M135 Q141 F142 L143 | T107-I139 HydrophobicContact CG2-CB 3.96Å; T107-I139 HydrophobicContact CG2-CD1 3.49Å; T107-I139 VanDerWaalsContact CG2-CD1 3.49Å; T107-I139 HydrophobicContact CG2-CG1 4.29Å; T107-I139 HydrophobicContact CG2-CG2 4.03Å; T107-I139 WeakPolarHBondContact OG1-CG2 3.21Å; M135-I139 WeakPolarHBondContact O-CG1 3.37Å; M135-I139 PolarHBondContact O-N 3.43Å; I139-Q141 VanDerWaalsContact C-N 3.29Å; I139-Q141 PolarHBondContact O-N 3.49Å; I139-F142 WeakPolarHBondContact O-CB 3.49Å; I139-F142 PolarHBondContact O-N 3.34Å; I139-L143 HydrophobicContact CG2-CD1 4.29Å; I139-L143 WeakPolarHBondContact O-CG 2.76Å; I139-L143 PolarHBondContact O-N 3.42Å |
| 140 | G | 85.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.3 | -40.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A136 L143 A144 | A136-G140 PolarHBondContact O-N 3.18Å; G140-L143 PolarHBondContact O-N 3Å; G140-A144 VanDerWaalsContact O-CB 3.28Å; G140-A144 WeakPolarHBondContact O-CB 3.25Å; G140-A144 PolarHBondContact O-N 2.86Å |
| 141 | Q | 85.2 | Confident | 85.3 | Confident | 21 Ų | 21 | 29.9 Ų | 29.9 | 10% | 0.098 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.1 | -36.2 | 177.2 | -171.5 | 60.5 | 74.3 | 0 | 0 | 112.5 | Y100 G137 V138 I139 A144 N145 D148 N195 | Y100-Q141 HydrophobicContact CE2-CB 4.47Å; G137-Q141 WeakPolarHBondContact O-CB 3.07Å; G137-Q141 PolarHBondContact O-N 2.84Å; V138-Q141 PolarHBondContact O-N 3.41Å; I139-Q141 VanDerWaalsContact C-N 3.29Å; I139-Q141 PolarHBondContact O-N 3.49Å; Q141-A144 PolarHBondContact O-N 2.86Å; Q141-N145 PolarHBondContact O-N 2.67Å; Q141-N145 VanDerWaalsContact O-N 3.08Å; Q141-D148 PolarHBondContact NE2-OD2 3.37Å; Q141-N195 PolarHBondContact NE2-ND2 3.22Å |
| 142 | F | 88.5 | Confident | 85.8 | Confident | 80 Ų | 80 | 26.6 Ų | 26.6 | 35% | 0.351 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -64 | -43.8 | 173.8 | 178.5 | -96.6 | 0 | 0 | 0 | 111.4 | V138 I139 N145 W189 W192 | V138-F142 WeakPolarHBondContact O-CB 3.22Å; V138-F142 PolarHBondContact O-N 2.84Å; I139-F142 WeakPolarHBondContact O-CB 3.49Å; I139-F142 PolarHBondContact O-N 3.34Å; F142-N145 WeakPolarHBondContact O-CB 3.28Å; F142-N145 PolarHBondContact O-N 3.5Å; F142-W189 AromaticContact CD1-NE1 3.74Å; F142-W189 AromaticContact CD2-CD1 3.81Å; F142-W189 AromaticContact CD2-NE1 3.81Å; F142-W189 AromaticContact CE1-NE1 3.44Å; F142-W189 AromaticContact CE2-CD1 3.36Å; F142-W189 HydrophobicContact CE2-CG 4.43Å; F142-W189 AromaticContact CE2-NE1 3.52Å; F142-W189 AromaticContact CG-NE1 3.91Å; F142-W189 AromaticContact CZ-CD1 3.55Å; F142-W189 HydrophobicContact CZ-CG 4.44Å; F142-W189 AromaticContact CZ-NE1 3.32Å; F142-W189 VanDerWaalsContact CZ-NE1 3.32Å; F142-W189 PolarHBondContact O-NE1 3.25Å; F142-W192 HydrophobicContact CD2-CD2 4.37Å; F142-W192 HydrophobicContact CD2-CE3 4.12Å; F142-W192 HydrophobicContact CE2-CD2 4.24Å; F142-W192 HydrophobicContact CE2-CE3 4.32Å; F142-W192 HydrophobicContact CE2-CG 4.38Å |
| 143 | L | 88.4 | Confident | 86.3 | Confident | 74 Ų | 74 | 26.7 Ų | 26.7 | 39% | 0.387 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -66.7 | -37 | 175.8 | -66.6 | 175.4 | 0 | 0 | 0 | 112.4 | V99 I139 G140 N145 P146 | V99-L143 HydrophobicContact CG1-CB 4.21Å; I139-L143 HydrophobicContact CG2-CD1 4.29Å; I139-L143 WeakPolarHBondContact O-CG 2.76Å; I139-L143 PolarHBondContact O-N 3.42Å; G140-L143 PolarHBondContact O-N 3Å; L143-N145 VanDerWaalsContact C-N 3.28Å; L143-N145 PolarHBondContact O-N 3.49Å; L143-P146 WeakPolarHBondContact O-CD 3.08Å |
| 144 | A | 88.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -4.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R96 V99 Y100 G140 Q141 T147 D148 | R96-A144 HydrophobicContact CG-CB 4.26Å; V99-A144 HydrophobicContact CG1-CB 4.28Å; Y100-A144 HydrophobicContact CD2-CB 4.36Å; G140-A144 VanDerWaalsContact O-CB 3.28Å; G140-A144 WeakPolarHBondContact O-CB 3.25Å; G140-A144 PolarHBondContact O-N 2.86Å; Q141-A144 PolarHBondContact O-N 2.86Å; A144-T147 PolarHBondContact O-N 2.91Å; A144-T147 PolarHBondContact O-OG1 2.8Å; A144-D148 PolarHBondContact O-N 3.24Å |
| 145 | N | 89.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.5 | -40.9 | -175.4 | -169.6 | 79.4 | 0 | 0 | 0 | 114.3 | Q141 F142 L143 T147 D148 L149 L188 W189 W192 N195 | Q141-N145 PolarHBondContact O-N 2.67Å; Q141-N145 VanDerWaalsContact O-N 3.08Å; F142-N145 WeakPolarHBondContact O-CB 3.28Å; F142-N145 PolarHBondContact O-N 3.5Å; L143-N145 VanDerWaalsContact C-N 3.28Å; L143-N145 PolarHBondContact O-N 3.49Å; N145-T147 VanDerWaalsContact C-N 3.3Å; N145-T147 PolarHBondContact O-N 2.92Å; N145-D148 WeakPolarHBondContact O-CB 3.49Å; N145-D148 PolarHBondContact O-N 3.44Å; N145-L149 PolarHBondContact O-N 3.33Å; N145-L188 PolarHBondContact ND2-O 3.23Å; N145-W189 VanDerWaalsContact ND2-C 3.28Å; N145-W189 WeakPolarHBondContact ND2-CA 3.31Å; N145-W189 PolarHBondContact ND2-O 3.37Å; N145-W192 PolarHBondContact ND2-N 3.42Å; N145-W192 PolarHBondContact OD1-N 2.92Å; N145-N195 PolarHBondContact OD1-ND2 3.43Å |
| 146 | P | 90.7 | Very high | 87.2 | Confident | 14 Ų | 14 | 19.2 Ų | 19.2 | 9% | 0.091 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.6 | -40.1 | 175.3 | -27 | 37.5 | 0 | 0 | 0 | 113.1 | L143 L149 V150 F176 L188 W189 | L143-P146 WeakPolarHBondContact O-CD 3.08Å; P146-L149 PolarHBondContact O-N 3.15Å; P146-V150 WeakPolarHBondContact O-CG2 3.21Å; P146-V150 PolarHBondContact O-N 2.84Å; P146-V150 VanDerWaalsContact O-N 3.14Å; P146-F176 HydrophobicContact CB-CE1 3.95Å; P146-L188 WeakPolarHBondContact CA-O 2.83Å; P146-L188 HydrophobicContact CB-CB 4.12Å; P146-L188 HydrophobicContact CB-CD2 4.41Å; P146-L188 HydrophobicContact CG-CB 4.19Å; P146-W189 HydrophobicContact CG-CD2 4.05Å; P146-W189 HydrophobicContact CG-CE3 3.96Å; P146-W189 HydrophobicContact CG-CH2 3.83Å; P146-W189 HydrophobicContact CG-CZ2 3.89Å; P146-W189 HydrophobicContact CG-CZ3 3.85Å |
| 147 | T | 90.4 | Very high | 87.3 | Confident | 10 Ų | 10 | 19.4 Ų | 19.4 | 6% | 0.061 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.3 | -37.7 | 176.7 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | R96 V99 A144 N145 L149 K151 F176 | R96-T147 WeakPolarHBondContact CA-OG1 3.36Å; R96-T147 WeakPolarHBondContact CB-OG1 3.39Å; V99-T147 HydrophobicContact CG2-CG2 4.47Å; A144-T147 PolarHBondContact O-N 2.91Å; A144-T147 PolarHBondContact O-OG1 2.8Å; N145-T147 VanDerWaalsContact C-N 3.3Å; N145-T147 PolarHBondContact O-N 2.92Å; T147-L149 VanDerWaalsContact C-N 3.35Å; T147-K151 WeakPolarHBondContact O-CB 3.33Å; T147-K151 PolarHBondContact O-N 3.46Å; T147-F176 HydrophobicContact CG2-CZ 3.95Å |
| 148 | D | 88.1 | Confident | 87.1 | Confident | 10 Ų | 10 | 18.9 Ų | 18.9 | 5% | 0.053 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 172.8 | -82.2 | -0.7 | 0 | 0 | 0 | 111.2 | R96 Q141 A144 N145 V150 K151 V152 N195 K252 M256 | R96-D148 WeakPolarHBondContact CD-OD1 3.36Å; R96-D148 VanDerWaalsContact CG-OD1 3.25Å; R96-D148 WeakPolarHBondContact CG-OD1 3.36Å; Q141-D148 PolarHBondContact NE2-OD2 3.37Å; A144-D148 PolarHBondContact O-N 3.24Å; N145-D148 WeakPolarHBondContact O-CB 3.49Å; N145-D148 PolarHBondContact O-N 3.44Å; D148-V150 PolarHBondContact O-N 2.85Å; D148-K151 WeakPolarHBondContact O-CB 3.35Å; D148-K151 PolarHBondContact O-N 2.85Å; D148-V152 WeakPolarHBondContact O-CG2 3.34Å; D148-V152 PolarHBondContact O-N 2.99Å; D148-N195 PolarHBondContact OD2-ND2 3.39Å; D148-K252 IonicContact OD2-NZ 3.94Å; D148-K252 PolarHBondContact OD2-NZ 2.91Å; D148-M256 HydrophobicContact CB-CE 3.48Å; D148-M256 VanDerWaalsContact CB-CE 3.48Å |
| 149 | L | 89.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.7 | -48.5 | -178.5 | -178.6 | 65.3 | 0 | 0 | 0 | 111.1 | N145 P146 T147 K151 V152 Q153 I179 G187 M256 | N145-L149 PolarHBondContact O-N 3.33Å; P146-L149 PolarHBondContact O-N 3.15Å; T147-L149 VanDerWaalsContact C-N 3.35Å; L149-K151 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 2.92Å; L149-V152 PolarHBondContact O-N 2.88Å; L149-Q153 HydrophobicContact CD1-CG 4.46Å; L149-Q153 WeakPolarHBondContact O-CG 3.5Å; L149-Q153 PolarHBondContact O-N 2.92Å; L149-I179 HydrophobicContact CD2-CD1 4.49Å; L149-G187 WeakPolarHBondContact CD2-O 3.47Å; L149-M256 HydrophobicContact CB-CE 3.96Å; L149-M256 HydrophobicContact CD1-CB 3.94Å; L149-M256 HydrophobicContact CD1-CE 4.31Å; L149-M256 HydrophobicContact CD1-CG 4.32Å; L149-M256 VanDerWaalsContact CD1-O 3.22Å; L149-M256 WeakPolarHBondContact CD1-O 3.47Å |
| 150 | V | 90.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 178 | 174.7 | 0 | 0 | 0 | 0 | 111 | P92 P146 D148 M154 V172 A175 F176 I179 | P92-V150 HydrophobicContact CB-CB 4.31Å; P92-V150 HydrophobicContact CB-CG1 3.95Å; P92-V150 HydrophobicContact CG-CG1 4.3Å; P146-V150 WeakPolarHBondContact O-CG2 3.21Å; P146-V150 PolarHBondContact O-N 2.84Å; P146-V150 VanDerWaalsContact O-N 3.14Å; D148-V150 PolarHBondContact O-N 2.85Å; V150-M154 HydrophobicContact CG1-CG 4.13Å; V150-M154 HydrophobicContact CG1-SD 3.75Å; V150-M154 VanDerWaalsContact O-CB 3.3Å; V150-M154 WeakPolarHBondContact O-CB 3.16Å; V150-M154 VanDerWaalsContact O-CG 3.27Å; V150-M154 WeakPolarHBondContact O-CG 3.3Å; V150-M154 PolarHBondContact O-N 3.1Å; V150-V172 HydrophobicContact CG1-CG1 4.3Å; V150-A175 HydrophobicContact CG1-CB 3.74Å; V150-A175 HydrophobicContact CG2-CB 4.31Å; V150-F176 HydrophobicContact CB-CE2 4.32Å; V150-F176 HydrophobicContact CB-CZ 4.17Å; V150-F176 HydrophobicContact CG1-CE2 4.3Å; V150-F176 HydrophobicContact CG2-CD1 3.94Å; V150-F176 HydrophobicContact CG2-CD2 4.23Å; V150-F176 HydrophobicContact CG2-CE1 3.7Å; V150-F176 HydrophobicContact CG2-CE2 4.02Å; V150-F176 HydrophobicContact CG2-CG 4.19Å; V150-F176 HydrophobicContact CG2-CZ 3.74Å; V150-I179 HydrophobicContact CG2-CD1 3.89Å |
| 151 | K | 90.4 | Very high | 85.9 | Confident | 20 Ų | 20 | 25.5 Ų | 25.5 | 9% | 0.087 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57 | -55.6 | 175.8 | 179.7 | -176.5 | 175.2 | 176.1 | 0 | 111.2 | E33 D40 P92 A93 T147 D148 L149 Q153 M154 Q155 | E33-K151 IonicContact OE1-NZ 3.85Å; E33-K151 PolarHBondContact OE1-NZ 3.27Å; D40-K151 IonicContact OD1-NZ 3.19Å; D40-K151 WeakPolarHBondContact OD2-CE 3.32Å; D40-K151 IonicContact OD2-NZ 2.81Å; D40-K151 PolarHBondContact OD2-NZ 3.36Å; P92-K151 HydrophobicContact CB-CB 4.17Å; P92-K151 HydrophobicContact CG-CB 4.05Å; A93-K151 HydrophobicContact CB-CD 3.75Å; A93-K151 HydrophobicContact CB-CG 4.4Å; T147-K151 WeakPolarHBondContact O-CB 3.33Å; T147-K151 PolarHBondContact O-N 3.46Å; D148-K151 WeakPolarHBondContact O-CB 3.35Å; D148-K151 PolarHBondContact O-N 2.85Å; L149-K151 VanDerWaalsContact C-N 3.34Å; L149-K151 PolarHBondContact O-N 2.92Å; K151-Q153 PolarHBondContact O-N 2.87Å; K151-M154 PolarHBondContact O-N 3.45Å; K151-Q155 WeakPolarHBondContact O-CG 3.25Å; K151-Q155 PolarHBondContact O-N 3.3Å |
| 152 | V | 86.6 | Confident | 85.4 | Confident | 11 Ų | 11 | 28.4 Ų | 28.4 | 7% | 0.067 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.6 | -47.1 | -178.2 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | D148 L149 M154 Q155 M156 M256 N257 | D148-V152 WeakPolarHBondContact O-CG2 3.34Å; D148-V152 PolarHBondContact O-N 2.99Å; L149-V152 PolarHBondContact O-N 2.88Å; V152-M154 PolarHBondContact O-N 2.72Å; V152-Q155 PolarHBondContact O-N 2.87Å; V152-M156 WeakPolarHBondContact O-CG 3.34Å; V152-M156 PolarHBondContact O-N 2.91Å; V152-M256 HydrophobicContact CB-CB 4.3Å; V152-M256 HydrophobicContact CG1-CB 4.1Å; V152-M256 HydrophobicContact CG2-CB 4.48Å; V152-M256 HydrophobicContact CG2-CE 4.37Å; V152-M256 HydrophobicContact CG2-SD 4.45Å; V152-N257 HydrophobicContact CG1-CB 4.23Å |
| 153 | Q | 88.4 | Confident | 84.7 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | -178.7 | -66.5 | -177.4 | 1.2 | 0 | 0 | 112.3 | L149 K151 Q155 M156 E157 F169 M256 | L149-Q153 HydrophobicContact CD1-CG 4.46Å; L149-Q153 WeakPolarHBondContact O-CG 3.5Å; L149-Q153 PolarHBondContact O-N 2.92Å; K151-Q153 PolarHBondContact O-N 2.87Å; Q153-Q155 VanDerWaalsContact C-N 3.35Å; Q153-Q155 PolarHBondContact O-N 3.21Å; Q153-M156 PolarHBondContact O-N 2.91Å; Q153-M156 VanDerWaalsContact O-N 3.14Å; Q153-E157 PolarHBondContact O-N 2.99Å; Q153-F169 HydrophobicContact CB-CE2 3.79Å; Q153-M256 PolarHBondContact NE2-O 2.8Å |
| 154 | M | 87.3 | Confident | 83.8 | Confident | 20 Ų | 20 | 28.1 Ų | 28.1 | 10% | 0.099 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.5 | -36.4 | 176.4 | -75.8 | -173.5 | 70.3 | 0 | 0 | 112.8 | Q88 P92 V150 K151 V152 M156 E157 F169 V172 | Q88-M154 VanDerWaalsContact CD-O 3.29Å; Q88-M154 WeakPolarHBondContact CG-O 3.46Å; Q88-M154 PolarHBondContact NE2-O 2.65Å; Q88-M154 VanDerWaalsContact NE2-O 3.1Å; P92-M154 HydrophobicContact CG-SD 4Å; V150-M154 HydrophobicContact CG1-CG 4.13Å; V150-M154 HydrophobicContact CG1-SD 3.75Å; V150-M154 VanDerWaalsContact O-CB 3.3Å; V150-M154 WeakPolarHBondContact O-CB 3.16Å; V150-M154 VanDerWaalsContact O-CG 3.27Å; V150-M154 WeakPolarHBondContact O-CG 3.3Å; V150-M154 PolarHBondContact O-N 3.1Å; K151-M154 PolarHBondContact O-N 3.45Å; V152-M154 PolarHBondContact O-N 2.72Å; M154-M156 PolarHBondContact O-N 3.43Å; M154-E157 WeakPolarHBondContact O-CB 3.13Å; M154-E157 PolarHBondContact O-N 3.44Å; M154-F169 HydrophobicContact CG-CD2 4.5Å; M154-V172 HydrophobicContact CE-CG2 3.93Å; M154-V172 HydrophobicContact SD-CB 4.36Å; M154-V172 HydrophobicContact SD-CG2 3.63Å |
| 155 | Q | 85.6 | Confident | 83.3 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -23 | 174.8 | -76.6 | 177.4 | -37 | 0 | 0 | 112.5 | F37 D40 L41 T44 R45 Q88 K151 V152 Q153 | F37-Q155 HydrophobicContact CZ-CG 4.41Å; D40-Q155 PolarHBondContact OD2-NE2 3.46Å; L41-Q155 HydrophobicContact CD1-CB 3.6Å; L41-Q155 HydrophobicContact CD1-CG 3.68Å; L41-Q155 WeakPolarHBondContact CD1-O 3.43Å; T44-Q155 HydrophobicContact CG2-CB 4.22Å; T44-Q155 PolarHBondContact OG1-OE1 3.07Å; R45-Q155 PolarHBondContact NE-O 3Å; Q88-Q155 WeakPolarHBondContact O-CG 3.2Å; K151-Q155 WeakPolarHBondContact O-CG 3.25Å; K151-Q155 PolarHBondContact O-N 3.3Å; V152-Q155 PolarHBondContact O-N 2.87Å; Q153-Q155 VanDerWaalsContact C-N 3.35Å; Q153-Q155 PolarHBondContact O-N 3.21Å |
| 156 | M | 84.8 | Confident | 82.7 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 3% | 0.034 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -96.9 | -11.3 | -177.9 | -66.2 | -54.9 | -63.8 | 0 | 0 | 114.9 | R45 M48 V152 Q153 M154 G158 K159 R160 N257 | R45-M156 HydrophobicContact CG-SD 4.23Å; M48-M156 HydrophobicContact CB-CE 3.31Å; M48-M156 HydrophobicContact CB-SD 3.81Å; M48-M156 HydrophobicContact CG-CE 3.56Å; M48-M156 HydrophobicContact CG-CG 4.2Å; M48-M156 HydrophobicContact CG-SD 3.51Å; M48-M156 VanDerWaalsContact CG-SD 3.51Å; V152-M156 WeakPolarHBondContact O-CG 3.34Å; V152-M156 PolarHBondContact O-N 2.91Å; Q153-M156 PolarHBondContact O-N 2.91Å; Q153-M156 VanDerWaalsContact O-N 3.14Å; M154-M156 PolarHBondContact O-N 3.43Å; M156-G158 VanDerWaalsContact C-N 3.26Å; M156-G158 PolarHBondContact O-N 2.81Å; M156-K159 HydrophobicContact CE-CB 4.19Å; M156-K159 HydrophobicContact CE-CD 3.4Å; M156-K159 HydrophobicContact CE-CG 4.42Å; M156-K159 PolarHBondContact O-N 2.93Å; M156-R160 PolarHBondContact O-N 2.97Å; M156-N257 WeakPolarHBondContact CB-OD1 3.3Å; M156-N257 WeakPolarHBondContact CG-OD1 3.47Å |
| 157 | E | 83.9 | Confident | 82.1 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.019 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.9 | -35.5 | 178.4 | -77.8 | -65.2 | 115.2 | 0 | 0 | 113.5 | Q88 Q153 M154 R160 K161 L167 R168 F169 | Q88-E157 VanDerWaalsContact NE2-CB 3.27Å; Q153-E157 PolarHBondContact O-N 2.99Å; M154-E157 WeakPolarHBondContact O-CB 3.13Å; M154-E157 PolarHBondContact O-N 3.44Å; E157-R160 WeakPolarHBondContact O-CB 3.45Å; E157-R160 PolarHBondContact O-N 3.35Å; E157-K161 PolarHBondContact O-N 2.98Å; E157-L167 HydrophobicContact CB-CD2 4.26Å; E157-L167 VanDerWaalsContact OE2-C 3.3Å; E157-L167 WeakPolarHBondContact OE2-CA 3.42Å; E157-L167 WeakPolarHBondContact OE2-CB 3.37Å; E157-L167 WeakPolarHBondContact OE2-CD2 3.36Å; E157-R168 WeakPolarHBondContact OE1-CB 3.35Å; E157-R168 PolarHBondContact OE1-N 2.83Å; E157-R168 PolarHBondContact OE2-N 3.32Å; E157-F169 HydrophobicContact CG-CD2 4.44Å; E157-F169 PolarHBondContact OE2-N 3.49Å |
| 158 | G | 76.9 | Confident | 81.6 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.5 | -49.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E81 M156 R160 K161 L162 | E81-G158 WeakPolarHBondContact OE1-CA 3.3Å; E81-G158 VanDerWaalsContact OE2-CA 3.25Å; E81-G158 WeakPolarHBondContact OE2-CA 3.13Å; M156-G158 VanDerWaalsContact C-N 3.26Å; M156-G158 PolarHBondContact O-N 2.81Å; G158-R160 VanDerWaalsContact C-N 3.26Å; G158-R160 PolarHBondContact O-N 2.91Å; G158-K161 WeakPolarHBondContact O-CB 3.38Å; G158-K161 PolarHBondContact O-N 3.46Å; G158-K161 VanDerWaalsContact O-N 3.1Å; G158-L162 WeakPolarHBondContact O-CG 3.14Å; G158-L162 PolarHBondContact O-N 3.27Å; G158-L162 VanDerWaalsContact O-N 3.09Å |
| 159 | K | 76 | Confident | 81.4 | Confident | 40 Ų | 40 | 42.7 Ų | 42.7 | 17% | 0.174 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.8 | -41.8 | 172.6 | -172.3 | -169.7 | 177.7 | -163.7 | 0 | 111.4 | M48 E81 M156 K161 L162 E163 | M48-K159 PolarHBondContact O-NZ 3.28Å; E81-K159 PolarHBondContact OE1-N 2.97Å; M156-K159 HydrophobicContact CE-CB 4.19Å; M156-K159 HydrophobicContact CE-CD 3.4Å; M156-K159 HydrophobicContact CE-CG 4.42Å; M156-K159 PolarHBondContact O-N 2.93Å; K159-K161 VanDerWaalsContact C-N 3.33Å; K159-K161 PolarHBondContact O-N 3.33Å; K159-L162 WeakPolarHBondContact O-CB 3.09Å; K159-L162 PolarHBondContact O-N 3.49Å; K159-L162 VanDerWaalsContact O-N 3.15Å; K159-E163 WeakPolarHBondContact CE-OE1 3.29Å; K159-E163 IonicContact NZ-OE1 3.72Å; K159-E163 WeakPolarHBondContact O-CG 3.36Å; K159-E163 PolarHBondContact O-N 2.82Å |
| 160 | R | 78.4 | Confident | 81 | Confident | 78 Ų | 78 | 53.9 Ų | 53.9 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 177.8 | -173.7 | 178.2 | 177.5 | 113.7 | 4 | 112.1 | M156 E157 G158 L162 E163 K165 P166 | M156-R160 PolarHBondContact O-N 2.97Å; E157-R160 WeakPolarHBondContact O-CB 3.45Å; E157-R160 PolarHBondContact O-N 3.35Å; G158-R160 VanDerWaalsContact C-N 3.26Å; G158-R160 PolarHBondContact O-N 2.91Å; R160-L162 VanDerWaalsContact C-N 3.33Å; R160-L162 PolarHBondContact O-N 2.62Å; R160-E163 PolarHBondContact O-N 3.39Å; R160-K165 HydrophobicContact CG-CB 3.5Å; R160-K165 VanDerWaalsContact CG-CB 3.5Å; R160-K165 HydrophobicContact CG-CD 4.18Å; R160-K165 HydrophobicContact CG-CG 4.48Å; R160-K165 WeakPolarHBondContact O-CB 3.38Å; R160-K165 PolarHBondContact O-N 2.89Å; R160-P166 PolarHBondContact NE-O 3.48Å |
| 161 | K | 78 | Confident | 80.8 | Confident | 136 Ų | 136 | 55 Ų | 55 | 59% | 0.591 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.8 | -40.9 | 174.3 | -171.8 | -173.6 | 176.7 | -167.2 | 0 | 111.5 | E157 G158 K159 E163 G164 L167 | E157-K161 PolarHBondContact O-N 2.98Å; G158-K161 WeakPolarHBondContact O-CB 3.38Å; G158-K161 PolarHBondContact O-N 3.46Å; G158-K161 VanDerWaalsContact O-N 3.1Å; K159-K161 VanDerWaalsContact C-N 3.33Å; K159-K161 PolarHBondContact O-N 3.33Å; K161-E163 VanDerWaalsContact C-N 3.31Å; K161-E163 PolarHBondContact O-N 2.96Å; K161-G164 PolarHBondContact O-N 3.5Å; K161-L167 HydrophobicContact CB-CD2 4.31Å |
| 162 | L | 73.8 | Confident | 80.7 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 42% | 0.424 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.9 | -30.6 | 177.2 | -62.9 | 168.1 | 0 | 0 | 0 | 112.9 | E80 E81 G158 K159 R160 G164 | E80-L162 HydrophobicContact CB-CD1 4.21Å; E80-L162 HydrophobicContact CB-CD2 3.7Å; E80-L162 HydrophobicContact CG-CD2 4.45Å; E80-L162 WeakPolarHBondContact OE2-CD1 3.31Å; E81-L162 HydrophobicContact CG-CD1 4.24Å; E81-L162 WeakPolarHBondContact OE1-CD1 3.4Å; G158-L162 WeakPolarHBondContact O-CG 3.14Å; G158-L162 PolarHBondContact O-N 3.27Å; G158-L162 VanDerWaalsContact O-N 3.09Å; K159-L162 WeakPolarHBondContact O-CB 3.09Å; K159-L162 PolarHBondContact O-N 3.49Å; K159-L162 VanDerWaalsContact O-N 3.15Å; R160-L162 VanDerWaalsContact C-N 3.33Å; R160-L162 PolarHBondContact O-N 2.62Å; L162-G164 PolarHBondContact O-N 2.97Å |
| 163 | E | 73 | Confident | 80.9 | Confident | 79 Ų | 79 | 60.3 Ų | 60.3 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 6.2 | 170.6 | -68.5 | 176.1 | -171.4 | 0 | 0 | 113.2 | K159 R160 K161 K165 | K159-E163 WeakPolarHBondContact CE-OE1 3.29Å; K159-E163 IonicContact NZ-OE1 3.72Å; K159-E163 WeakPolarHBondContact O-CG 3.36Å; K159-E163 PolarHBondContact O-N 2.82Å; R160-E163 PolarHBondContact O-N 3.39Å; K161-E163 VanDerWaalsContact C-N 3.31Å; K161-E163 PolarHBondContact O-N 2.96Å; E163-K165 HydrophobicContact CB-CD 4.38Å; E163-K165 PolarHBondContact O-N 3.01Å; E163-K165 IonicContact OE2-NZ 3.99Å; E163-K165 PolarHBondContact OE2-NZ 2.81Å |
| 164 | G | 70.6 | Confident | 81 | Confident | 69 Ų | 69 | 64.1 Ų | 64.1 | 71% | 0.711 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 8.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K161 L162 | K161-G164 PolarHBondContact O-N 3.5Å; L162-G164 PolarHBondContact O-N 2.97Å |
| 165 | K | 77.3 | Confident | 81 | Confident | 104 Ų | 104 | 63.2 Ų | 63.2 | 45% | 0.452 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 144.4 | 178.7 | -68.2 | 168.7 | -174.5 | 159.7 | 0 | 110 | R160 E163 | R160-K165 HydrophobicContact CG-CB 3.5Å; R160-K165 VanDerWaalsContact CG-CB 3.5Å; R160-K165 HydrophobicContact CG-CD 4.18Å; R160-K165 HydrophobicContact CG-CG 4.48Å; R160-K165 WeakPolarHBondContact O-CB 3.38Å; R160-K165 PolarHBondContact O-N 2.89Å; E163-K165 HydrophobicContact CB-CD 4.38Å; E163-K165 PolarHBondContact O-N 3.01Å; E163-K165 IonicContact OE2-NZ 3.99Å; E163-K165 PolarHBondContact OE2-NZ 2.81Å |
| 166 | P | 77.9 | Confident | 81.2 | Confident | 101 Ų | 101 | 65.2 Ų | 65.2 | 66% | 0.656 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 148.1 | 177.1 | 27.3 | -34.6 | 0 | 0 | 0 | 110.8 | R160 R168 | R160-P166 PolarHBondContact NE-O 3.48Å; P166-R168 PolarHBondContact O-N 2.98Å |
| 167 | L | 78.1 | Confident | 81.5 | Confident | 94 Ų | 94 | 67.7 Ų | 67.7 | 49% | 0.492 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 127 | 173.8 | -67.4 | 171 | 0 | 0 | 0 | 109.7 | E157 K161 F169 | E157-L167 HydrophobicContact CB-CD2 4.26Å; E157-L167 VanDerWaalsContact OE2-C 3.3Å; E157-L167 WeakPolarHBondContact OE2-CA 3.42Å; E157-L167 WeakPolarHBondContact OE2-CB 3.37Å; E157-L167 WeakPolarHBondContact OE2-CD2 3.36Å; K161-L167 HydrophobicContact CB-CD2 4.31Å; L167-F169 VanDerWaalsContact C-N 3.33Å |
| 168 | R | 79.9 | Confident | 81.7 | Confident | 34 Ų | 34 | 70.2 Ų | 70.2 | 13% | 0.128 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -71.4 | -35.9 | 174.8 | -159.4 | 177.6 | 178.1 | 173.9 | 1.5 | 110 | E157 P166 K178 | E157-R168 WeakPolarHBondContact OE1-CB 3.35Å; E157-R168 PolarHBondContact OE1-N 2.83Å; E157-R168 PolarHBondContact OE2-N 3.32Å; P166-R168 PolarHBondContact O-N 2.98Å; R168-K178 WeakPolarHBondContact O-CD 3.38Å; R168-K178 PolarHBondContact O-NZ 3.22Å |
| 169 | F | 83.3 | Confident | 82.2 | Confident | 9 Ų | 9 | 70.5 Ų | 70.5 | 4% | 0.039 | 36% | 0.358 | C | S | . | . | trans | -136.8 | 139.3 | -172.3 | -48.8 | -58.2 | 0 | 0 | 0 | 113.1 | Q153 M154 E157 L167 A175 K178 I179 | Q153-F169 HydrophobicContact CB-CE2 3.79Å; M154-F169 HydrophobicContact CG-CD2 4.5Å; E157-F169 HydrophobicContact CG-CD2 4.44Å; E157-F169 PolarHBondContact OE2-N 3.49Å; L167-F169 VanDerWaalsContact C-N 3.33Å; F169-A175 HydrophobicContact CB-CB 3.99Å; F169-A175 HydrophobicContact CD1-CB 3.59Å; F169-A175 HydrophobicContact CD2-CB 3.92Å; F169-A175 HydrophobicContact CE1-CB 3.95Å; F169-A175 HydrophobicContact CE2-CB 4.25Å; F169-A175 HydrophobicContact CG-CB 3.55Å; F169-A175 HydrophobicContact CZ-CB 4.26Å; F169-K178 HydrophobicContact CD1-CB 4.44Å; F169-K178 HydrophobicContact CD1-CD 4.08Å; F169-K178 HydrophobicContact CE1-CB 4.18Å; F169-K178 HydrophobicContact CE1-CD 4Å; F169-K178 HydrophobicContact CE1-CG 4.27Å; F169-I179 HydrophobicContact CE1-CD1 4.43Å; F169-I179 HydrophobicContact CE1-CG1 4.09Å; F169-I179 HydrophobicContact CZ-CD1 3.92Å; F169-I179 HydrophobicContact CZ-CG1 3.87Å | ||
| 170 | R | 81.2 | Confident | 82.8 | Confident | 234 Ų | 234 | 72.7 Ų | 72.7 | 88% | 0.883 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -89.6 | -19.6 | 172.7 | -65 | -178.3 | 177.5 | -177.1 | -1.5 | 113.1 | ||
| 171 | G | 85.8 | Confident | 83.3 | Confident | 25 Ų | 25 | 73.1 Ų | 73.1 | 26% | 0.258 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -177.7 | 179 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | H174 A175 | G171-H174 PolarHBondContact O-N 2.87Å; G171-A175 WeakPolarHBondContact O-CB 3.26Å; G171-A175 PolarHBondContact O-N 3.33Å |
| 172 | V | 88.4 | Confident | 83.6 | Confident | 10 Ų | 10 | 71.2 Ų | 71.2 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.8 | -50.4 | -174.4 | -178.9 | 0 | 0 | 0 | 0 | 112.6 | T91 P92 Y95 V150 M154 H174 A175 F176 | T91-V172 HydrophobicContact CG2-CB 4.42Å; T91-V172 HydrophobicContact CG2-CG2 3.73Å; P92-V172 HydrophobicContact CB-CG1 4.36Å; P92-V172 HydrophobicContact CB-CG2 4.47Å; P92-V172 HydrophobicContact CG-CG2 4.24Å; Y95-V172 HydrophobicContact CD2-CG1 4.23Å; Y95-V172 HydrophobicContact CE2-CG1 4.06Å; V150-V172 HydrophobicContact CG1-CG1 4.3Å; M154-V172 HydrophobicContact CE-CG2 3.93Å; M154-V172 HydrophobicContact SD-CB 4.36Å; M154-V172 HydrophobicContact SD-CG2 3.63Å; V172-H174 VanDerWaalsContact C-N 3.31Å; V172-H174 PolarHBondContact O-N 3.17Å; V172-A175 WeakPolarHBondContact O-CA 3.39Å; V172-A175 WeakPolarHBondContact O-CB 3.42Å; V172-A175 PolarHBondContact O-N 2.93Å; V172-F176 HydrophobicContact CG1-CD2 3.72Å; V172-F176 HydrophobicContact CG1-CE2 3.52Å; V172-F176 VanDerWaalsContact O-CD2 3.31Å; V172-F176 WeakPolarHBondContact O-CD2 3.46Å; V172-F176 PolarHBondContact O-N 2.65Å |
| 173 | H | 90.3 | Very high | 83.7 | Confident | 132 Ų | 132 | 68.3 Ų | 68.3 | 61% | 0.611 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.3 | -40.6 | -178.6 | -57.9 | -65.7 | 0 | 0 | 0 | 111.5 | Y95 A175 F176 A177 | Y95-H173 PolarHBondContact OH-CE1 2.97Å; Y95-H173 VanDerWaalsContact OH-CE1 3.32Å; H173-A175 VanDerWaalsContact C-N 3.3Å; H173-A175 PolarHBondContact O-N 3.16Å; H173-F176 PolarHBondContact O-N 3.02Å; H173-A177 WeakPolarHBondContact O-CB 3.34Å; H173-A177 PolarHBondContact O-N 3.23Å |
| 174 | H | 90.9 | Very high | 84.3 | Confident | 84 Ų | 84 | 65.9 Ų | 65.9 | 39% | 0.389 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.8 | -36.1 | 173.2 | -178.4 | -92 | 0 | 0 | 0 | 111.7 | G171 V172 K178 | G171-H174 PolarHBondContact O-N 2.87Å; V172-H174 VanDerWaalsContact C-N 3.31Å; V172-H174 PolarHBondContact O-N 3.17Å; H174-K178 WeakPolarHBondContact O-CB 3.38Å; H174-K178 PolarHBondContact O-N 3.4Å |
| 175 | A | 87.7 | Confident | 85 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V150 F169 G171 V172 H173 K178 I179 | V150-A175 HydrophobicContact CG1-CB 3.74Å; V150-A175 HydrophobicContact CG2-CB 4.31Å; F169-A175 HydrophobicContact CB-CB 3.99Å; F169-A175 HydrophobicContact CD1-CB 3.59Å; F169-A175 HydrophobicContact CD2-CB 3.92Å; F169-A175 HydrophobicContact CE1-CB 3.95Å; F169-A175 HydrophobicContact CE2-CB 4.25Å; F169-A175 HydrophobicContact CG-CB 3.55Å; F169-A175 HydrophobicContact CZ-CB 4.26Å; G171-A175 WeakPolarHBondContact O-CB 3.26Å; G171-A175 PolarHBondContact O-N 3.33Å; V172-A175 WeakPolarHBondContact O-CA 3.39Å; V172-A175 WeakPolarHBondContact O-CB 3.42Å; V172-A175 PolarHBondContact O-N 2.93Å; H173-A175 VanDerWaalsContact C-N 3.3Å; H173-A175 PolarHBondContact O-N 3.16Å; A175-K178 PolarHBondContact O-N 3.19Å; A175-I179 WeakPolarHBondContact O-CB 3.28Å; A175-I179 WeakPolarHBondContact O-CD1 3.19Å; A175-I179 WeakPolarHBondContact O-CG1 3.47Å; A175-I179 PolarHBondContact O-N 3.04Å |
| 176 | F | 89.9 | Confident | 85.3 | Confident | 44 Ų | 44 | 73.5 Ų | 73.5 | 19% | 0.193 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.1 | -50.2 | 175.1 | -80.1 | -70.2 | 0 | 0 | 0 | 112.3 | Y95 P146 T147 V150 V172 H173 K178 I179 L180 L188 | Y95-F176 HydrophobicContact CD2-CE2 4.44Å; P146-F176 HydrophobicContact CB-CE1 3.95Å; T147-F176 HydrophobicContact CG2-CZ 3.95Å; V150-F176 HydrophobicContact CB-CE2 4.32Å; V150-F176 HydrophobicContact CB-CZ 4.17Å; V150-F176 HydrophobicContact CG1-CE2 4.3Å; V150-F176 HydrophobicContact CG2-CD1 3.94Å; V150-F176 HydrophobicContact CG2-CD2 4.23Å; V150-F176 HydrophobicContact CG2-CE1 3.7Å; V150-F176 HydrophobicContact CG2-CE2 4.02Å; V150-F176 HydrophobicContact CG2-CG 4.19Å; V150-F176 HydrophobicContact CG2-CZ 3.74Å; V172-F176 HydrophobicContact CG1-CD2 3.72Å; V172-F176 HydrophobicContact CG1-CE2 3.52Å; V172-F176 VanDerWaalsContact O-CD2 3.31Å; V172-F176 WeakPolarHBondContact O-CD2 3.46Å; V172-F176 PolarHBondContact O-N 2.65Å; H173-F176 PolarHBondContact O-N 3.02Å; F176-K178 VanDerWaalsContact C-N 3.34Å; F176-K178 PolarHBondContact O-N 2.97Å; F176-I179 PolarHBondContact O-N 3.37Å; F176-L180 VanDerWaalsContact O-CB 3.25Å; F176-L180 WeakPolarHBondContact O-CB 3.4Å; F176-L180 PolarHBondContact O-N 2.85Å; F176-L188 HydrophobicContact CD1-CD2 3.76Å; F176-L188 HydrophobicContact CE1-CD2 4.26Å |
| 177 | A | 90.4 | Very high | 85.6 | Confident | 59 Ų | 59 | 69 Ų | 69 | 49% | 0.488 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H173 L180 A181 | H173-A177 WeakPolarHBondContact O-CB 3.34Å; H173-A177 PolarHBondContact O-N 3.23Å; A177-L180 PolarHBondContact O-N 3.04Å; A177-A181 VanDerWaalsContact O-CB 3.29Å; A177-A181 WeakPolarHBondContact O-CB 3.45Å; A177-A181 PolarHBondContact O-N 2.91Å |
| 178 | K | 88.7 | Confident | 86 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 25% | 0.252 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.5 | -44.5 | 179.9 | -176.6 | 169.9 | 178.2 | 177.1 | 0 | 112.6 | R168 F169 H174 A175 F176 L180 A181 E182 | R168-K178 WeakPolarHBondContact O-CD 3.38Å; R168-K178 PolarHBondContact O-NZ 3.22Å; F169-K178 HydrophobicContact CD1-CB 4.44Å; F169-K178 HydrophobicContact CD1-CD 4.08Å; F169-K178 HydrophobicContact CE1-CB 4.18Å; F169-K178 HydrophobicContact CE1-CD 4Å; F169-K178 HydrophobicContact CE1-CG 4.27Å; H174-K178 WeakPolarHBondContact O-CB 3.38Å; H174-K178 PolarHBondContact O-N 3.4Å; A175-K178 PolarHBondContact O-N 3.19Å; F176-K178 VanDerWaalsContact C-N 3.34Å; F176-K178 PolarHBondContact O-N 2.97Å; K178-L180 VanDerWaalsContact C-N 3.28Å; K178-L180 PolarHBondContact O-N 2.9Å; K178-A181 PolarHBondContact O-N 2.91Å; K178-E182 WeakPolarHBondContact CE-OE1 3.45Å; K178-E182 HydrophobicContact CG-CG 4.31Å; K178-E182 IonicContact NZ-OE1 3.56Å; K178-E182 WeakPolarHBondContact O-CB 3.32Å; K178-E182 WeakPolarHBondContact O-CG 3.33Å; K178-E182 PolarHBondContact O-N 3.01Å |
| 179 | I | 87.4 | Confident | 86.4 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 5% | 0.046 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 177.1 | -66.2 | 165.1 | 0 | 0 | 0 | 110.2 | L149 V150 F169 A175 F176 G183 L188 | L149-I179 HydrophobicContact CD2-CD1 4.49Å; V150-I179 HydrophobicContact CG2-CD1 3.89Å; F169-I179 HydrophobicContact CE1-CD1 4.43Å; F169-I179 HydrophobicContact CE1-CG1 4.09Å; F169-I179 HydrophobicContact CZ-CD1 3.92Å; F169-I179 HydrophobicContact CZ-CG1 3.87Å; A175-I179 WeakPolarHBondContact O-CB 3.28Å; A175-I179 WeakPolarHBondContact O-CD1 3.19Å; A175-I179 WeakPolarHBondContact O-CG1 3.47Å; A175-I179 PolarHBondContact O-N 3.04Å; F176-I179 PolarHBondContact O-N 3.37Å; I179-G183 PolarHBondContact O-N 2.72Å; I179-L188 HydrophobicContact CB-CD2 4.04Å; I179-L188 HydrophobicContact CG2-CD2 3.69Å; I179-L188 HydrophobicContact CG2-CG 4.07Å |
| 180 | L | 88.6 | Confident | 86.5 | Confident | 86 Ų | 86 | 67.4 Ų | 67.4 | 45% | 0.45 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 176.8 | -173.9 | 63.4 | 0 | 0 | 0 | 111.9 | F176 A177 K178 G184 I185 L188 | F176-L180 VanDerWaalsContact O-CB 3.25Å; F176-L180 WeakPolarHBondContact O-CB 3.4Å; F176-L180 PolarHBondContact O-N 2.85Å; A177-L180 PolarHBondContact O-N 3.04Å; K178-L180 VanDerWaalsContact C-N 3.28Å; K178-L180 PolarHBondContact O-N 2.9Å; L180-G184 WeakPolarHBondContact O-CA 2.95Å; L180-G184 PolarHBondContact O-N 3.24Å; L180-I185 HydrophobicContact CD1-CG1 4.12Å; L180-L188 HydrophobicContact CD1-CD1 4.1Å |
| 181 | A | 87.3 | Confident | 86.5 | Confident | 88 Ų | 88 | 56.6 Ų | 56.6 | 73% | 0.727 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.9 | -38.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A177 K178 | A177-A181 VanDerWaalsContact O-CB 3.29Å; A177-A181 WeakPolarHBondContact O-CB 3.45Å; A177-A181 PolarHBondContact O-N 2.91Å; K178-A181 PolarHBondContact O-N 2.91Å |
| 182 | E | 84.6 | Confident | 86.6 | Confident | 96 Ų | 96 | 60.7 Ų | 60.7 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -83 | -38.2 | -176.6 | -70.8 | 176 | 174.7 | 0 | 0 | 113.4 | K178 | K178-E182 WeakPolarHBondContact CE-OE1 3.45Å; K178-E182 HydrophobicContact CG-CG 4.31Å; K178-E182 IonicContact NZ-OE1 3.56Å; K178-E182 WeakPolarHBondContact O-CB 3.32Å; K178-E182 WeakPolarHBondContact O-CG 3.33Å; K178-E182 PolarHBondContact O-N 3.01Å |
| 183 | G | 76.6 | Confident | 86.6 | Confident | 19 Ų | 19 | 63.1 Ų | 63.1 | 20% | 0.196 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -128.9 | 4.8 | -171 | 0 | 0 | 0 | 0 | 0 | 114.9 | I179 G187 | I179-G183 PolarHBondContact O-N 2.72Å; G183-G187 PolarHBondContact O-N 3.13Å |
| 184 | G | 85.4 | Confident | 86.4 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | 61.2 | -161.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L180 R186 G187 | L180-G184 WeakPolarHBondContact O-CA 2.95Å; L180-G184 PolarHBondContact O-N 3.24Å; G184-R186 VanDerWaalsContact C-N 3.27Å; G184-R186 PolarHBondContact O-N 2.97Å; G184-G187 PolarHBondContact O-N 3.44Å; G184-G187 VanDerWaalsContact O-N 3.14Å |
| 185 | I | 86.3 | Confident | 86.1 | Confident | 118 Ų | 118 | 53.3 Ų | 53.3 | 61% | 0.605 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.5 | -37.8 | 178.7 | -61.6 | 172.6 | 0 | 0 | 0 | 110.8 | L180 G187 L188 W189 | L180-I185 HydrophobicContact CD1-CG1 4.12Å; I185-G187 PolarHBondContact O-N 3.34Å; I185-L188 PolarHBondContact O-N 2.98Å; I185-L188 VanDerWaalsContact O-N 3.15Å; I185-W189 HydrophobicContact CG2-CE3 3.85Å; I185-W189 HydrophobicContact CG2-CZ3 3.78Å; I185-W189 PolarHBondContact O-N 2.94Å |
| 186 | R | 83.3 | Confident | 86.1 | Confident | 216 Ų | 216 | 55.2 Ų | 55.2 | 82% | 0.815 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61 | -34.4 | 177.3 | -69.4 | -177.9 | 177.5 | 174.5 | -0.3 | 112.2 | G184 L188 W189 A190 | G184-R186 VanDerWaalsContact C-N 3.27Å; G184-R186 PolarHBondContact O-N 2.97Å; R186-L188 PolarHBondContact O-N 3.47Å; R186-W189 PolarHBondContact O-N 2.68Å; R186-A190 PolarHBondContact O-N 3.41Å; R186-A190 VanDerWaalsContact O-N 3.16Å |
| 187 | G | 83.4 | Confident | 86 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 5% | 0.052 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | L149 G183 G184 I185 W189 A190 R260 | L149-G187 WeakPolarHBondContact CD2-O 3.47Å; G183-G187 PolarHBondContact O-N 3.13Å; G184-G187 PolarHBondContact O-N 3.44Å; G184-G187 VanDerWaalsContact O-N 3.14Å; I185-G187 PolarHBondContact O-N 3.34Å; G187-W189 VanDerWaalsContact C-N 3.35Å; G187-W189 PolarHBondContact O-N 3.07Å; G187-A190 PolarHBondContact O-N 3.07Å; G187-R260 PolarHBondContact O-NH1 3.01Å |
| 188 | L | 86.7 | Confident | 85.8 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.7 | -33.2 | 178.8 | -70.3 | 173.6 | 0 | 0 | 0 | 113 | N145 P146 F176 I179 L180 I185 R186 | N145-L188 PolarHBondContact ND2-O 3.23Å; P146-L188 WeakPolarHBondContact CA-O 2.83Å; P146-L188 HydrophobicContact CB-CB 4.12Å; P146-L188 HydrophobicContact CB-CD2 4.41Å; P146-L188 HydrophobicContact CG-CB 4.19Å; F176-L188 HydrophobicContact CD1-CD2 3.76Å; F176-L188 HydrophobicContact CE1-CD2 4.26Å; I179-L188 HydrophobicContact CB-CD2 4.04Å; I179-L188 HydrophobicContact CG2-CD2 3.69Å; I179-L188 HydrophobicContact CG2-CG 4.07Å; L180-L188 HydrophobicContact CD1-CD1 4.1Å; I185-L188 PolarHBondContact O-N 2.98Å; I185-L188 VanDerWaalsContact O-N 3.15Å; R186-L188 PolarHBondContact O-N 3.47Å |
| 189 | W | 88.9 | Confident | 85.6 | Confident | 64 Ų | 64 | 55.3 Ų | 55.3 | 24% | 0.242 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -87.3 | -9 | 178.9 | -94.4 | -93.5 | 0 | 0 | 0 | 114.6 | F142 N145 P146 I185 R186 G187 G191 W192 | F142-W189 AromaticContact CD1-NE1 3.74Å; F142-W189 AromaticContact CD2-CD1 3.81Å; F142-W189 AromaticContact CD2-NE1 3.81Å; F142-W189 AromaticContact CE1-NE1 3.44Å; F142-W189 AromaticContact CE2-CD1 3.36Å; F142-W189 HydrophobicContact CE2-CG 4.43Å; F142-W189 AromaticContact CE2-NE1 3.52Å; F142-W189 AromaticContact CG-NE1 3.91Å; F142-W189 AromaticContact CZ-CD1 3.55Å; F142-W189 HydrophobicContact CZ-CG 4.44Å; F142-W189 AromaticContact CZ-NE1 3.32Å; F142-W189 VanDerWaalsContact CZ-NE1 3.32Å; F142-W189 PolarHBondContact O-NE1 3.25Å; N145-W189 VanDerWaalsContact ND2-C 3.28Å; N145-W189 WeakPolarHBondContact ND2-CA 3.31Å; N145-W189 PolarHBondContact ND2-O 3.37Å; P146-W189 HydrophobicContact CG-CD2 4.05Å; P146-W189 HydrophobicContact CG-CE3 3.96Å; P146-W189 HydrophobicContact CG-CH2 3.83Å; P146-W189 HydrophobicContact CG-CZ2 3.89Å; P146-W189 HydrophobicContact CG-CZ3 3.85Å; I185-W189 HydrophobicContact CG2-CE3 3.85Å; I185-W189 HydrophobicContact CG2-CZ3 3.78Å; I185-W189 PolarHBondContact O-N 2.94Å; R186-W189 PolarHBondContact O-N 2.68Å; G187-W189 VanDerWaalsContact C-N 3.35Å; G187-W189 PolarHBondContact O-N 3.07Å; W189-G191 PolarHBondContact O-N 2.84Å; W189-W192 WeakPolarHBondContact O-CA 3.17Å; W189-W192 WeakPolarHBondContact O-CB 3.23Å; W189-W192 PolarHBondContact O-N 3.46Å |
| 190 | A | 83.7 | Confident | 85.5 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 130.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R186 G187 R260 | R186-A190 PolarHBondContact O-N 3.41Å; R186-A190 VanDerWaalsContact O-N 3.16Å; G187-A190 PolarHBondContact O-N 3.07Å; A190-R260 PolarHBondContact O-NH1 3.43Å; A190-R260 VanDerWaalsContact O-NH1 3.07Å; A190-R260 PolarHBondContact O-NH2 3.18Å |
| 191 | G | 82.8 | Confident | 85.4 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 109.1 | -26.2 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | W189 V193 P194 N195 | W189-G191 PolarHBondContact O-N 2.84Å; G191-V193 PolarHBondContact O-N 3.08Å; G191-P194 WeakPolarHBondContact O-CD 3.15Å; G191-P194 WeakPolarHBondContact O-CG 3.14Å; G191-N195 WeakPolarHBondContact O-CB 3.46Å; G191-N195 PolarHBondContact O-N 3.08Å |
| 192 | W | 86.8 | Confident | 85.4 | Confident | 112 Ų | 112 | 53.6 Ų | 53.6 | 42% | 0.424 | 27% | 0.273 | S | S | . | . | H | α-helix | 35.7 | -112.2 | 121.2 | 136.2 | -74.1 | 0 | 0 | 0 | 120.7 | F142 N145 W189 N195 I196 | F142-W192 HydrophobicContact CD2-CD2 4.37Å; F142-W192 HydrophobicContact CD2-CE3 4.12Å; F142-W192 HydrophobicContact CE2-CD2 4.24Å; F142-W192 HydrophobicContact CE2-CE3 4.32Å; F142-W192 HydrophobicContact CE2-CG 4.38Å; N145-W192 PolarHBondContact ND2-N 3.42Å; N145-W192 PolarHBondContact OD1-N 2.92Å; W189-W192 WeakPolarHBondContact O-CA 3.17Å; W189-W192 WeakPolarHBondContact O-CB 3.23Å; W189-W192 PolarHBondContact O-N 3.46Å; W192-N195 VanDerWaalsContact O-CB 3.25Å; W192-N195 WeakPolarHBondContact O-CB 3.29Å; W192-N195 PolarHBondContact O-N 3.06Å; W192-I196 HydrophobicContact CE3-CD1 3.45Å; W192-I196 VanDerWaalsContact CE3-CD1 3.45Å; W192-I196 HydrophobicContact CE3-CG1 4.34Å; W192-I196 HydrophobicContact CZ3-CD1 3.63Å; W192-I196 PolarHBondContact O-N 3.31Å; W192-I196 VanDerWaalsContact O-N 3.16Å | |
| 193 | V | 88.2 | Confident | 85.4 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 37% | 0.37 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55 | -53.6 | -178.8 | 179.2 | 0 | 0 | 0 | 0 | 112.7 | G191 N195 I196 Q197 | G191-V193 PolarHBondContact O-N 3.08Å; V193-N195 PolarHBondContact O-N 3.23Å; V193-I196 PolarHBondContact O-N 3.15Å; V193-I196 VanDerWaalsContact O-N 3.14Å; V193-Q197 HydrophobicContact CG1-CG 4.22Å; V193-Q197 WeakPolarHBondContact O-CG 3.4Å; V193-Q197 PolarHBondContact O-N 3.12Å |
| 194 | P | 86.7 | Confident | 85.7 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.2 | -27.7 | 178.7 | 19.1 | -27.9 | 0 | 0 | 0 | 112.7 | G191 R198 K252 I255 | G191-P194 WeakPolarHBondContact O-CD 3.15Å; G191-P194 WeakPolarHBondContact O-CG 3.14Å; P194-R198 VanDerWaalsContact O-CB 3.25Å; P194-R198 WeakPolarHBondContact O-CB 3.27Å; P194-R198 PolarHBondContact O-N 3.18Å; P194-K252 HydrophobicContact CB-CB 4.32Å; P194-I255 HydrophobicContact CG-CB 4.27Å; P194-I255 HydrophobicContact CG-CD1 4.19Å; P194-I255 HydrophobicContact CG-CG2 3.97Å |
| 195 | N | 85.7 | Confident | 85.6 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 175 | -156.4 | 0.5 | 0 | 0 | 0 | 112.5 | Q141 N145 D148 G191 W192 V193 A199 K252 | Q141-N195 PolarHBondContact NE2-ND2 3.22Å; N145-N195 PolarHBondContact OD1-ND2 3.43Å; D148-N195 PolarHBondContact OD2-ND2 3.39Å; G191-N195 WeakPolarHBondContact O-CB 3.46Å; G191-N195 PolarHBondContact O-N 3.08Å; W192-N195 VanDerWaalsContact O-CB 3.25Å; W192-N195 WeakPolarHBondContact O-CB 3.29Å; W192-N195 PolarHBondContact O-N 3.06Å; V193-N195 PolarHBondContact O-N 3.23Å; N195-A199 PolarHBondContact O-N 3.06Å; N195-A199 VanDerWaalsContact O-N 3.12Å; N195-K252 HydrophobicContact CB-CD 4.29Å; N195-K252 VanDerWaalsContact CG-CE 3.42Å; N195-K252 VanDerWaalsContact CG-NZ 3.26Å; N195-K252 PolarHBondContact ND2-NZ 2.98Å; N195-K252 WeakPolarHBondContact OD1-CE 3.44Å; N195-K252 PolarHBondContact OD1-NZ 3.4Å |
| 196 | I | 86.1 | Confident | 85.6 | Confident | 39 Ų | 39 | 52.2 Ų | 52.2 | 20% | 0.2 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.6 | -41.9 | 175.2 | -64.1 | -177.8 | 0 | 0 | 0 | 111.1 | V138 W192 V193 R198 A199 A200 | V138-I196 HydrophobicContact CG1-CD1 3.99Å; V138-I196 HydrophobicContact CG1-CG1 4.41Å; V138-I196 HydrophobicContact CG1-CG2 4.3Å; W192-I196 HydrophobicContact CE3-CD1 3.45Å; W192-I196 VanDerWaalsContact CE3-CD1 3.45Å; W192-I196 HydrophobicContact CE3-CG1 4.34Å; W192-I196 HydrophobicContact CZ3-CD1 3.63Å; W192-I196 PolarHBondContact O-N 3.31Å; W192-I196 VanDerWaalsContact O-N 3.16Å; V193-I196 PolarHBondContact O-N 3.15Å; V193-I196 VanDerWaalsContact O-N 3.14Å; I196-R198 VanDerWaalsContact C-N 3.3Å; I196-R198 PolarHBondContact O-N 2.89Å; I196-A199 PolarHBondContact O-N 3.19Å; I196-A199 VanDerWaalsContact O-N 3.12Å; I196-A200 PolarHBondContact O-N 3.24Å |
| 197 | Q | 87.8 | Confident | 85.6 | Confident | 87 Ų | 87 | 44.6 Ų | 44.6 | 41% | 0.407 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.7 | -45.5 | 176.1 | -73.6 | 176.2 | -39.5 | 0 | 0 | 111.4 | V193 A200 L201 S272 | V193-Q197 HydrophobicContact CG1-CG 4.22Å; V193-Q197 WeakPolarHBondContact O-CG 3.4Å; V193-Q197 PolarHBondContact O-N 3.12Å; Q197-A200 PolarHBondContact O-N 3.13Å; Q197-L201 WeakPolarHBondContact O-CG 3.35Å; Q197-L201 PolarHBondContact O-N 2.69Å; Q197-S272 PolarHBondContact OE1-OG 3.45Å |
| 198 | R | 87.2 | Confident | 85.7 | Confident | 63 Ų | 63 | 47.9 Ų | 47.9 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 173.6 | 180 | -132.4 | 102.3 | 84.6 | 2 | 111.9 | P194 I196 A200 L201 V202 A248 D249 | P194-R198 VanDerWaalsContact O-CB 3.25Å; P194-R198 WeakPolarHBondContact O-CB 3.27Å; P194-R198 PolarHBondContact O-N 3.18Å; I196-R198 VanDerWaalsContact C-N 3.3Å; I196-R198 PolarHBondContact O-N 2.89Å; R198-A200 VanDerWaalsContact C-N 3.35Å; R198-A200 PolarHBondContact O-N 3.28Å; R198-L201 PolarHBondContact O-N 3.21Å; R198-V202 VanDerWaalsContact O-CG2 3.3Å; R198-V202 WeakPolarHBondContact O-CG2 3.44Å; R198-V202 PolarHBondContact O-N 2.91Å; R198-A248 HydrophobicContact CB-CB 3.78Å; R198-A248 HydrophobicContact CG-CB 3.95Å; R198-D249 WeakPolarHBondContact CD-OD1 3.48Å; R198-D249 VanDerWaalsContact CG-OD1 3.29Å; R198-D249 WeakPolarHBondContact CG-OD1 3.28Å; R198-D249 IonicContact CZ-OD1 2.68Å; R198-D249 IonicContact NE-OD1 3.77Å; R198-D249 IonicContact NH1-OD1 2.98Å; R198-D249 PolarHBondContact NH1-OD1 3.04Å; R198-D249 IonicContact NH1-OD2 2.69Å |
| 199 | A | 84.8 | Confident | 85.7 | Confident | 13 Ų | 13 | 48 Ų | 48 | 11% | 0.107 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N195 I196 N203 | N195-A199 PolarHBondContact O-N 3.06Å; N195-A199 VanDerWaalsContact O-N 3.12Å; I196-A199 PolarHBondContact O-N 3.19Å; I196-A199 VanDerWaalsContact O-N 3.12Å; A199-N203 WeakPolarHBondContact O-CB 3.46Å; A199-N203 PolarHBondContact O-N 3.29Å; A199-N203 PolarHBondContact O-ND2 3.5Å |
| 200 | A | 85.1 | Confident | 85.6 | Confident | 49 Ų | 49 | 47.7 Ų | 47.7 | 41% | 0.405 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I196 Q197 R198 N203 M204 | I196-A200 PolarHBondContact O-N 3.24Å; Q197-A200 PolarHBondContact O-N 3.13Å; R198-A200 VanDerWaalsContact C-N 3.35Å; R198-A200 PolarHBondContact O-N 3.28Å; A200-N203 PolarHBondContact O-N 3.15Å; A200-M204 WeakPolarHBondContact O-CB 2.98Å; A200-M204 PolarHBondContact O-N 3.08Å |
| 201 | L | 87 | Confident | 85.6 | Confident | 70 Ų | 70 | 51.3 Ų | 51.3 | 37% | 0.366 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 178.9 | -74.8 | 170.6 | 0 | 0 | 0 | 112.5 | Q197 R198 G205 A248 | Q197-L201 WeakPolarHBondContact O-CG 3.35Å; Q197-L201 PolarHBondContact O-N 2.69Å; R198-L201 PolarHBondContact O-N 3.21Å; L201-G205 PolarHBondContact O-N 3.43Å; L201-A248 HydrophobicContact CD1-CB 3.93Å |
| 202 | V | 85.7 | Confident | 85.8 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 17% | 0.17 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.2 | -48.4 | 178.1 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | R198 M204 G205 D206 A241 | R198-V202 VanDerWaalsContact O-CG2 3.3Å; R198-V202 WeakPolarHBondContact O-CG2 3.44Å; R198-V202 PolarHBondContact O-N 2.91Å; V202-M204 PolarHBondContact O-N 3.37Å; V202-G205 PolarHBondContact O-N 3.24Å; V202-D206 VanDerWaalsContact O-CB 3.29Å; V202-D206 WeakPolarHBondContact O-CB 3.32Å; V202-D206 PolarHBondContact O-N 3.12Å; V202-A241 HydrophobicContact CG1-CB 4.27Å |
| 203 | N | 84.4 | Confident | 85.8 | Confident | 55 Ų | 55 | 51.7 Ų | 51.7 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | -179.2 | -70.8 | -17.3 | 0 | 0 | 0 | 112.2 | M134 A199 A200 L207 | M134-N203 HydrophobicContact CE-CB 4.11Å; A199-N203 WeakPolarHBondContact O-CB 3.46Å; A199-N203 PolarHBondContact O-N 3.29Å; A199-N203 PolarHBondContact O-ND2 3.5Å; A200-N203 PolarHBondContact O-N 3.15Å; N203-L207 WeakPolarHBondContact O-CB 3.45Å; N203-L207 WeakPolarHBondContact O-CG 3.44Å; N203-L207 PolarHBondContact O-N 3.17Å |
| 204 | M | 83.4 | Confident | 85.7 | Confident | 116 Ų | 116 | 51.1 Ų | 51.1 | 57% | 0.571 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -59.5 | -55.4 | 174.8 | -179.5 | -173.2 | -65.5 | 0 | 0 | 109.6 | A200 V202 D206 L207 T208 | A200-M204 WeakPolarHBondContact O-CB 2.98Å; A200-M204 PolarHBondContact O-N 3.08Å; V202-M204 PolarHBondContact O-N 3.37Å; M204-D206 VanDerWaalsContact C-N 3.3Å; M204-D206 PolarHBondContact O-N 3.13Å; M204-L207 PolarHBondContact O-N 3.41Å; M204-T208 HydrophobicContact CG-CG2 4.26Å; M204-T208 WeakPolarHBondContact O-CB 3.26Å; M204-T208 VanDerWaalsContact O-CG2 3.31Å; M204-T208 WeakPolarHBondContact O-CG2 3.37Å; M204-T208 PolarHBondContact O-N 3.3Å; M204-T208 PolarHBondContact O-OG1 2.9Å |
| 205 | G | 84.3 | Confident | 85.7 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.6 | -41.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L201 V202 T209 | L201-G205 PolarHBondContact O-N 3.43Å; V202-G205 PolarHBondContact O-N 3.24Å; G205-T209 WeakPolarHBondContact O-CB 3.48Å; G205-T209 PolarHBondContact O-N 3.02Å; G205-T209 PolarHBondContact O-OG1 3.39Å |
| 206 | D | 85.1 | Confident | 85.8 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 32% | 0.316 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.1 | -57.7 | 179.1 | -169.8 | 44.6 | 0 | 0 | 0 | 111.3 | V202 M204 T209 Y210 S237 A241 | V202-D206 VanDerWaalsContact O-CB 3.29Å; V202-D206 WeakPolarHBondContact O-CB 3.32Å; V202-D206 PolarHBondContact O-N 3.12Å; M204-D206 VanDerWaalsContact C-N 3.3Å; M204-D206 PolarHBondContact O-N 3.13Å; D206-T209 PolarHBondContact O-N 3.12Å; D206-Y210 WeakPolarHBondContact O-CB 3.22Å; D206-Y210 PolarHBondContact O-N 2.92Å; D206-S237 VanDerWaalsContact O-CB 3.31Å; D206-S237 WeakPolarHBondContact O-CB 3.35Å; D206-S237 WeakPolarHBondContact OD1-CB 3.22Å; D206-S237 PolarHBondContact OD1-OG 3.49Å; D206-A241 HydrophobicContact CB-CB 3.97Å |
| 207 | L | 83.5 | Confident | 85.9 | Confident | 56 Ų | 56 | 62.9 Ų | 62.9 | 29% | 0.293 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64 | -48.2 | -175.6 | -69.2 | 171.7 | 0 | 0 | 0 | 112.3 | V130 M134 N203 M204 T209 Y210 D211 | V130-L207 HydrophobicContact CG1-CD1 3.8Å; V130-L207 HydrophobicContact CG1-CD2 4.34Å; M134-L207 HydrophobicContact SD-CD1 3.77Å; N203-L207 WeakPolarHBondContact O-CB 3.45Å; N203-L207 WeakPolarHBondContact O-CG 3.44Å; N203-L207 PolarHBondContact O-N 3.17Å; M204-L207 PolarHBondContact O-N 3.41Å; L207-T209 VanDerWaalsContact C-N 3.31Å; L207-T209 PolarHBondContact O-N 2.84Å; L207-Y210 PolarHBondContact O-N 3.39Å; L207-D211 PolarHBondContact O-N 2.95Å |
| 208 | T | 85.6 | Confident | 86 | Confident | 75 Ų | 75 | 61.7 Ų | 61.7 | 46% | 0.46 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.3 | -38.9 | -177.1 | 61.1 | 0 | 0 | 0 | 0 | 111.5 | M204 T212 | M204-T208 HydrophobicContact CG-CG2 4.26Å; M204-T208 WeakPolarHBondContact O-CB 3.26Å; M204-T208 VanDerWaalsContact O-CG2 3.31Å; M204-T208 WeakPolarHBondContact O-CG2 3.37Å; M204-T208 PolarHBondContact O-N 3.3Å; M204-T208 PolarHBondContact O-OG1 2.9Å; T208-T212 VanDerWaalsContact O-CB 3.26Å; T208-T212 WeakPolarHBondContact O-CB 3.2Å; T208-T212 PolarHBondContact O-N 3.44Å; T208-T212 VanDerWaalsContact O-N 3.07Å; T208-T212 PolarHBondContact O-OG1 2.93Å |
| 209 | T | 86.4 | Confident | 86 | Confident | 22 Ų | 22 | 64.2 Ų | 64.2 | 14% | 0.135 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.2 | -42.7 | 179.7 | -55 | 0 | 0 | 0 | 0 | 110.6 | G205 D206 L207 D211 T212 V213 C236 V240 | G205-T209 WeakPolarHBondContact O-CB 3.48Å; G205-T209 PolarHBondContact O-N 3.02Å; G205-T209 PolarHBondContact O-OG1 3.39Å; D206-T209 PolarHBondContact O-N 3.12Å; L207-T209 VanDerWaalsContact C-N 3.31Å; L207-T209 PolarHBondContact O-N 2.84Å; T209-D211 PolarHBondContact O-N 2.89Å; T209-T212 PolarHBondContact O-N 2.71Å; T209-V213 HydrophobicContact CG2-CG2 3.88Å; T209-V213 VanDerWaalsContact O-CB 3.27Å; T209-V213 WeakPolarHBondContact O-CB 3.26Å; T209-V213 WeakPolarHBondContact O-CG2 3.21Å; T209-V213 PolarHBondContact O-N 3.37Å; T209-C236 HydrophobicContact CG2-CB 4.34Å; T209-V240 HydrophobicContact CG2-CB 4.11Å; T209-V240 HydrophobicContact CG2-CG2 3.73Å; T209-V240 WeakPolarHBondContact OG1-CB 3.31Å; T209-V240 WeakPolarHBondContact OG1-CG1 3.26Å |
| 210 | Y | 86.6 | Confident | 86.1 | Confident | 57 Ų | 57 | 68.4 Ų | 68.4 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.5 | -50.8 | 177.8 | -179.5 | -90.6 | 0 | 0 | 0 | 111.2 | D206 L207 V213 K214 H230 | D206-Y210 WeakPolarHBondContact O-CB 3.22Å; D206-Y210 PolarHBondContact O-N 2.92Å; L207-Y210 PolarHBondContact O-N 3.39Å; Y210-V213 PolarHBondContact O-N 2.94Å; Y210-K214 HydrophobicContact CE1-CD 4.29Å; Y210-K214 WeakPolarHBondContact O-CB 3.46Å; Y210-K214 PolarHBondContact O-N 3.05Å; Y210-H230 AromaticContact CZ-ND1 3.95Å; Y210-H230 PolarHBondContact OH-ND1 2.92Å |
| 211 | D | 84.4 | Confident | 86.1 | Confident | 98 Ų | 98 | 68.3 Ų | 68.3 | 52% | 0.524 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | -179.3 | -73.7 | -18.5 | 0 | 0 | 0 | 111.8 | L207 T209 H215 | L207-D211 PolarHBondContact O-N 2.95Å; T209-D211 PolarHBondContact O-N 2.89Å; D211-H215 WeakPolarHBondContact O-CB 3.4Å; D211-H215 PolarHBondContact O-N 3.47Å |
| 212 | T | 87.1 | Confident | 85.8 | Confident | 94 Ų | 94 | 71.4 Ų | 71.4 | 58% | 0.577 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65 | -45.9 | 179.7 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | T208 T209 Y216 | T208-T212 VanDerWaalsContact O-CB 3.26Å; T208-T212 WeakPolarHBondContact O-CB 3.2Å; T208-T212 PolarHBondContact O-N 3.44Å; T208-T212 VanDerWaalsContact O-N 3.07Å; T208-T212 PolarHBondContact O-OG1 2.93Å; T209-T212 PolarHBondContact O-N 2.71Å; T212-Y216 VanDerWaalsContact O-CB 3.23Å; T212-Y216 WeakPolarHBondContact O-CB 3.46Å; T212-Y216 PolarHBondContact O-N 3.02Å |
| 213 | V | 87.4 | Confident | 85.4 | Confident | 32 Ų | 32 | 72.1 Ų | 72.1 | 19% | 0.194 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.9 | -42.4 | -179.4 | 174 | 0 | 0 | 0 | 0 | 110.4 | T209 Y210 Y216 L217 C236 | T209-V213 HydrophobicContact CG2-CG2 3.88Å; T209-V213 VanDerWaalsContact O-CB 3.27Å; T209-V213 WeakPolarHBondContact O-CB 3.26Å; T209-V213 WeakPolarHBondContact O-CG2 3.21Å; T209-V213 PolarHBondContact O-N 3.37Å; Y210-V213 PolarHBondContact O-N 2.94Å; V213-Y216 PolarHBondContact O-N 3.44Å; V213-L217 HydrophobicContact CG1-CD1 3.8Å; V213-L217 HydrophobicContact CG1-CG 4.19Å; V213-L217 WeakPolarHBondContact O-CB 3.21Å; V213-L217 VanDerWaalsContact O-CG 3.26Å; V213-L217 WeakPolarHBondContact O-CG 3.33Å; V213-L217 PolarHBondContact O-N 3.35Å; V213-C236 HydrophobicContact CG1-CB 4.21Å; V213-C236 HydrophobicContact CG2-CB 3.94Å |
| 214 | K | 85.9 | Confident | 85.1 | Confident | 48 Ų | 48 | 77 Ų | 77 | 21% | 0.209 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.6 | -51.9 | 175.5 | -178.6 | -177.2 | 174.7 | 174.1 | 0 | 110.9 | Y210 Y216 L217 V218 D225 T229 S233 | Y210-K214 HydrophobicContact CE1-CD 4.29Å; Y210-K214 WeakPolarHBondContact O-CB 3.46Å; Y210-K214 PolarHBondContact O-N 3.05Å; K214-Y216 VanDerWaalsContact C-N 3.29Å; K214-Y216 PolarHBondContact O-N 3.27Å; K214-L217 PolarHBondContact O-N 3.2Å; K214-V218 HydrophobicContact CG-CG2 4.47Å; K214-V218 WeakPolarHBondContact O-CG2 3.26Å; K214-V218 PolarHBondContact O-N 3.44Å; K214-D225 WeakPolarHBondContact CE-OD1 3.46Å; K214-D225 WeakPolarHBondContact CE-OD2 3.49Å; K214-D225 IonicContact NZ-OD1 2.9Å; K214-D225 PolarHBondContact NZ-OD1 3.49Å; K214-D225 IonicContact NZ-OD2 2.75Å; K214-D225 PolarHBondContact NZ-OD2 3.31Å; K214-T229 HydrophobicContact CG-CG2 4.21Å; K214-S233 WeakPolarHBondContact CA-OG 3.31Å; K214-S233 PolarHBondContact N-OG 2.91Å |
| 215 | H | 87.3 | Confident | 85 | Confident | 129 Ų | 129 | 75.9 Ų | 75.9 | 60% | 0.597 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.6 | -41 | 179.7 | -174.4 | -99 | 0 | 0 | 0 | 111.5 | D211 L219 | D211-H215 WeakPolarHBondContact O-CB 3.4Å; D211-H215 PolarHBondContact O-N 3.47Å; H215-L219 WeakPolarHBondContact CE1-CD1 3.27Å; H215-L219 WeakPolarHBondContact O-CB 3.48Å; H215-L219 WeakPolarHBondContact O-CG 3.2Å; H215-L219 PolarHBondContact O-N 3.21Å; H215-L219 VanDerWaalsContact O-N 3.16Å |
| 216 | Y | 88 | Confident | 84.9 | Confident | 143 Ų | 143 | 78.4 Ų | 78.4 | 56% | 0.561 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.6 | -44.6 | 176 | -176.1 | -90.9 | 0 | 0 | 0 | 112.6 | T212 V213 K214 N220 | T212-Y216 VanDerWaalsContact O-CB 3.23Å; T212-Y216 WeakPolarHBondContact O-CB 3.46Å; T212-Y216 PolarHBondContact O-N 3.02Å; V213-Y216 PolarHBondContact O-N 3.44Å; K214-Y216 VanDerWaalsContact C-N 3.29Å; K214-Y216 PolarHBondContact O-N 3.27Å; Y216-N220 VanDerWaalsContact CD2-ND2 3.31Å; Y216-N220 WeakPolarHBondContact CD2-ND2 3.08Å; Y216-N220 HydrophobicContact CE1-CB 4.35Å; Y216-N220 WeakPolarHBondContact CE2-ND2 3.46Å; Y216-N220 VanDerWaalsContact O-CB 3.31Å; Y216-N220 WeakPolarHBondContact O-CB 3.37Å; Y216-N220 PolarHBondContact O-N 3.34Å; Y216-N220 PolarHBondContact O-ND2 2.94Å |
| 217 | L | 87.9 | Confident | 84.8 | Confident | 25 Ų | 25 | 83 Ų | 83 | 13% | 0.131 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -64.9 | -47.7 | 179.7 | -72.7 | 172.6 | 0 | 0 | 0 | 111.4 | V213 K214 L219 N220 T221 T229 L232 | V213-L217 HydrophobicContact CG1-CD1 3.8Å; V213-L217 HydrophobicContact CG1-CG 4.19Å; V213-L217 WeakPolarHBondContact O-CB 3.21Å; V213-L217 VanDerWaalsContact O-CG 3.26Å; V213-L217 WeakPolarHBondContact O-CG 3.33Å; V213-L217 PolarHBondContact O-N 3.35Å; K214-L217 PolarHBondContact O-N 3.2Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 3.48Å; L217-N220 PolarHBondContact O-N 2.68Å; L217-T221 HydrophobicContact CD2-CG2 4.17Å; L217-T221 WeakPolarHBondContact O-CB 3.47Å; L217-T221 PolarHBondContact O-N 3.07Å; L217-T221 PolarHBondContact O-OG1 3.41Å; L217-T229 HydrophobicContact CB-CG2 4.04Å; L217-T229 HydrophobicContact CD1-CG2 4.25Å; L217-L232 HydrophobicContact CD1-CB 3.88Å; L217-L232 HydrophobicContact CD1-CD1 4.4Å |
| 218 | V | 88.3 | Confident | 84.7 | Confident | 61 Ų | 61 | 86.4 Ų | 86.4 | 37% | 0.37 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.8 | -34.7 | -179.1 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | K214 T229 | K214-V218 HydrophobicContact CG-CG2 4.47Å; K214-V218 WeakPolarHBondContact O-CG2 3.26Å; K214-V218 PolarHBondContact O-N 3.44Å; V218-T229 HydrophobicContact CG2-CG2 3.95Å |
| 219 | L | 87.8 | Confident | 84.6 | Confident | 116 Ų | 116 | 82.8 Ų | 82.8 | 61% | 0.607 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -83.5 | -33.5 | -179.1 | -71.2 | 179.9 | 0 | 0 | 0 | 114.4 | H215 L217 | H215-L219 WeakPolarHBondContact CE1-CD1 3.27Å; H215-L219 WeakPolarHBondContact O-CB 3.48Å; H215-L219 WeakPolarHBondContact O-CG 3.2Å; H215-L219 PolarHBondContact O-N 3.21Å; H215-L219 VanDerWaalsContact O-N 3.16Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 3.48Å |
| 220 | N | 87.6 | Confident | 84.4 | Confident | 101 Ų | 101 | 84.7 Ų | 84.7 | 54% | 0.54 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -109.5 | -4.4 | -169.7 | -60.4 | -77.3 | 0 | 0 | 0 | 113.9 | Y216 L217 | Y216-N220 VanDerWaalsContact CD2-ND2 3.31Å; Y216-N220 WeakPolarHBondContact CD2-ND2 3.08Å; Y216-N220 HydrophobicContact CE1-CB 4.35Å; Y216-N220 WeakPolarHBondContact CE2-ND2 3.46Å; Y216-N220 VanDerWaalsContact O-CB 3.31Å; Y216-N220 WeakPolarHBondContact O-CB 3.37Å; Y216-N220 PolarHBondContact O-N 3.34Å; Y216-N220 PolarHBondContact O-ND2 2.94Å; L217-N220 PolarHBondContact O-N 2.68Å |
| 221 | T | 84.1 | Confident | 84.2 | Confident | 48 Ų | 48 | 83.9 Ų | 83.9 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -128.6 | 158 | 178.7 | 73.3 | 0 | 0 | 0 | 0 | 110.3 | L217 L223 | L217-T221 HydrophobicContact CD2-CG2 4.17Å; L217-T221 WeakPolarHBondContact O-CB 3.47Å; L217-T221 PolarHBondContact O-N 3.07Å; L217-T221 PolarHBondContact O-OG1 3.41Å; T221-L223 PolarHBondContact O-N 2.85Å; T221-L223 WeakPolarHBondContact OG1-CB 3.32Å; T221-L223 WeakPolarHBondContact OG1-CG 3.35Å; T221-L223 PolarHBondContact OG1-N 2.61Å |
| 222 | P | 80.5 | Confident | 84.2 | Confident | 135 Ų | 135 | 82.9 Ų | 82.9 | 88% | 0.877 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -71.4 | 11.2 | 174.2 | 30.5 | -36 | 0 | 0 | 0 | 113.2 | E224 | P222-E224 PolarHBondContact O-N 3.24Š|
| 223 | L | 77.3 | Confident | 84.1 | Confident | 43 Ų | 43 | 78.4 Ų | 78.4 | 23% | 0.225 | 41% | 0.412 | C | S | . | . | trans | -80 | 116.3 | 176.6 | -63 | 170.2 | 0 | 0 | 0 | 109.2 | T221 T229 L232 | T221-L223 PolarHBondContact O-N 2.85Å; T221-L223 WeakPolarHBondContact OG1-CB 3.32Å; T221-L223 WeakPolarHBondContact OG1-CG 3.35Å; T221-L223 PolarHBondContact OG1-N 2.61Å; L223-T229 WeakPolarHBondContact CB-OG1 3.41Å; L223-L232 HydrophobicContact CD1-CD1 4.23Å | ||
| 224 | E | 79.6 | Confident | 84 | Confident | 156 Ų | 156 | 79.6 Ų | 79.6 | 73% | 0.729 | 42% | 0.422 | S | S | * | . | trans | -69.9 | 178.8 | 167.5 | -63.2 | -176.8 | 169.4 | 0 | 0 | 111.2 | P222 N226 T229 | P222-E224 PolarHBondContact O-N 3.24Å; E224-N226 PolarHBondContact O-N 2.94Å; E224-T229 PolarHBondContact O-OG1 2.84Å | ||
| 225 | D | 80.4 | Confident | 83.9 | Confident | 93 Ų | 93 | 83.1 Ų | 83.1 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -70.7 | 71.9 | 174.4 | -160.8 | 15.4 | 0 | 0 | 0 | 110.9 | K214 H230 | K214-D225 WeakPolarHBondContact CE-OD1 3.46Å; K214-D225 WeakPolarHBondContact CE-OD2 3.49Å; K214-D225 IonicContact NZ-OD1 2.9Å; K214-D225 PolarHBondContact NZ-OD1 3.49Å; K214-D225 IonicContact NZ-OD2 2.75Å; K214-D225 PolarHBondContact NZ-OD2 3.31Å; D225-H230 IonicContact OD1-CD2 3.81Å; D225-H230 IonicContact OD1-CE1 3.35Å; D225-H230 PolarHBondContact OD1-CE1 3.26Å; D225-H230 IonicContact OD1-NE2 3.08Å; D225-H230 PolarHBondContact OD1-NE2 3.07Å; D225-H230 VanDerWaalsContact OD1-NE2 3.08Å |
| 226 | N | 82.8 | Confident | 83.8 | Confident | 56 Ų | 56 | 79.5 Ų | 79.5 | 30% | 0.299 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -117.3 | 171.9 | -173.1 | 68.2 | 27.8 | 0 | 0 | 0 | 111.3 | E224 M228 T229 H230 | E224-N226 PolarHBondContact O-N 2.94Å; N226-M228 PolarHBondContact O-N 2.73Å; N226-M228 VanDerWaalsContact O-N 3.12Å; N226-M228 WeakPolarHBondContact OD1-CB 3.36Å; N226-M228 PolarHBondContact OD1-N 3.16Å; N226-M228 VanDerWaalsContact OD1-N 3.08Å; N226-T229 WeakPolarHBondContact O-CB 3.22Å; N226-T229 PolarHBondContact O-N 3.02Å; N226-T229 VanDerWaalsContact O-N 3.07Å; N226-T229 PolarHBondContact OD1-N 2.95Å; N226-T229 PolarHBondContact OD1-OG1 3.29Å; N226-H230 PolarHBondContact O-CD2 2.89Å; N226-H230 PolarHBondContact O-N 3.43Å; N226-H230 VanDerWaalsContact O-N 3.07Å |
| 227 | I | 81.9 | Confident | 83.7 | Confident | 155 Ų | 155 | 72.9 Ų | 72.9 | 80% | 0.795 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -56.3 | -32.3 | -177.7 | -61.3 | 171.5 | 0 | 0 | 0 | 111.7 | G231 | I227-G231 PolarHBondContact O-N 2.75Å |
| 228 | M | 81.1 | Confident | 83.5 | Confident | 127 Ų | 127 | 73.1 Ų | 73.1 | 63% | 0.626 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -69.7 | -43.2 | 178.2 | -62.7 | -170.9 | 69.9 | 0 | 0 | 111.9 | N226 H230 G231 L232 | N226-M228 PolarHBondContact O-N 2.73Å; N226-M228 VanDerWaalsContact O-N 3.12Å; N226-M228 WeakPolarHBondContact OD1-CB 3.36Å; N226-M228 PolarHBondContact OD1-N 3.16Å; N226-M228 VanDerWaalsContact OD1-N 3.08Å; M228-H230 VanDerWaalsContact C-N 3.34Å; M228-H230 PolarHBondContact O-N 2.93Å; M228-G231 PolarHBondContact O-N 2.83Å; M228-L232 WeakPolarHBondContact O-CB 3.42Å; M228-L232 WeakPolarHBondContact O-CG 3.29Å; M228-L232 PolarHBondContact O-N 3.49Å |
| 229 | T | 83.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 174.8 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | K214 L217 V218 L223 E224 N226 S233 | K214-T229 HydrophobicContact CG-CG2 4.21Å; L217-T229 HydrophobicContact CB-CG2 4.04Å; L217-T229 HydrophobicContact CD1-CG2 4.25Å; V218-T229 HydrophobicContact CG2-CG2 3.95Å; L223-T229 WeakPolarHBondContact CB-OG1 3.41Å; E224-T229 PolarHBondContact O-OG1 2.84Å; N226-T229 WeakPolarHBondContact O-CB 3.22Å; N226-T229 PolarHBondContact O-N 3.02Å; N226-T229 VanDerWaalsContact O-N 3.07Å; N226-T229 PolarHBondContact OD1-N 2.95Å; N226-T229 PolarHBondContact OD1-OG1 3.29Å; T229-S233 VanDerWaalsContact O-CB 3.27Å; T229-S233 WeakPolarHBondContact O-CB 3.26Å; T229-S233 PolarHBondContact O-N 2.89Å; T229-S233 PolarHBondContact O-OG 3.24Å |
| 230 | H | 81.9 | Confident | 83.4 | Confident | 62 Ų | 62 | 71.5 Ų | 71.5 | 29% | 0.287 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 174.7 | -72.2 | -67.4 | 0 | 0 | 0 | 112.6 | Y210 D225 N226 M228 S234 | Y210-H230 AromaticContact CZ-ND1 3.95Å; Y210-H230 PolarHBondContact OH-ND1 2.92Å; D225-H230 IonicContact OD1-CD2 3.81Å; D225-H230 IonicContact OD1-CE1 3.35Å; D225-H230 PolarHBondContact OD1-CE1 3.26Å; D225-H230 IonicContact OD1-NE2 3.08Å; D225-H230 PolarHBondContact OD1-NE2 3.07Å; D225-H230 VanDerWaalsContact OD1-NE2 3.08Å; N226-H230 PolarHBondContact O-CD2 2.89Å; N226-H230 PolarHBondContact O-N 3.43Å; N226-H230 VanDerWaalsContact O-N 3.07Å; M228-H230 VanDerWaalsContact C-N 3.34Å; M228-H230 PolarHBondContact O-N 2.93Å; H230-S234 VanDerWaalsContact O-CB 3.27Å; H230-S234 WeakPolarHBondContact O-CB 3.4Å; H230-S234 PolarHBondContact O-N 3.25Å; H230-S234 PolarHBondContact O-OG 3.45Å |
| 231 | G | 82.9 | Confident | 83.3 | Confident | 40 Ų | 40 | 67 Ų | 67 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I227 M228 S234 L235 | I227-G231 PolarHBondContact O-N 2.75Å; M228-G231 PolarHBondContact O-N 2.83Å; G231-S234 PolarHBondContact O-N 2.75Å; G231-L235 WeakPolarHBondContact O-CB 3.33Å; G231-L235 PolarHBondContact O-N 3.42Å |
| 232 | L | 84.8 | Confident | 83.3 | Confident | 76 Ų | 76 | 66.1 Ų | 66.1 | 40% | 0.398 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 177.2 | -71.5 | 172.4 | 0 | 0 | 0 | 111.6 | L217 L223 M228 S234 L235 C236 | L217-L232 HydrophobicContact CD1-CB 3.88Å; L217-L232 HydrophobicContact CD1-CD1 4.4Å; L223-L232 HydrophobicContact CD1-CD1 4.23Å; M228-L232 WeakPolarHBondContact O-CB 3.42Å; M228-L232 WeakPolarHBondContact O-CG 3.29Å; M228-L232 PolarHBondContact O-N 3.49Å; L232-S234 VanDerWaalsContact C-N 3.33Å; L232-S234 PolarHBondContact O-N 3.33Å; L232-L235 PolarHBondContact O-N 2.87Å; L232-C236 PolarHBondContact O-N 2.84Å; L232-C236 PolarHBondContact O-SG 2.9Å |
| 233 | S | 85.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 176.9 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | K214 T229 C236 S237 | K214-S233 WeakPolarHBondContact CA-OG 3.31Å; K214-S233 PolarHBondContact N-OG 2.91Å; T229-S233 VanDerWaalsContact O-CB 3.27Å; T229-S233 WeakPolarHBondContact O-CB 3.26Å; T229-S233 PolarHBondContact O-N 2.89Å; T229-S233 PolarHBondContact O-OG 3.24Å; S233-C236 PolarHBondContact O-N 3.29Å; S233-S237 WeakPolarHBondContact O-CB 3.41Å; S233-S237 PolarHBondContact O-N 3.42Å; S233-S237 PolarHBondContact O-OG 3.14Å |
| 234 | S | 83.9 | Confident | 84.1 | Confident | 58 Ų | 58 | 64.3 Ų | 64.3 | 41% | 0.406 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.9 | -35.5 | 176.7 | -57.2 | 0 | 0 | 0 | 0 | 112.8 | H230 G231 L232 S237 G238 | H230-S234 VanDerWaalsContact O-CB 3.27Å; H230-S234 WeakPolarHBondContact O-CB 3.4Å; H230-S234 PolarHBondContact O-N 3.25Å; H230-S234 PolarHBondContact O-OG 3.45Å; G231-S234 PolarHBondContact O-N 2.75Å; L232-S234 VanDerWaalsContact C-N 3.33Å; L232-S234 PolarHBondContact O-N 3.33Å; S234-S237 PolarHBondContact O-OG 3.49Å; S234-G238 PolarHBondContact O-N 3.03Å |
| 235 | L | 84.9 | Confident | 84.4 | Confident | 121 Ų | 121 | 57 Ų | 57 | 63% | 0.634 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.4 | -46 | 176.5 | -176.5 | 67.5 | 0 | 0 | 0 | 110.9 | G231 L232 L239 | G231-L235 WeakPolarHBondContact O-CB 3.33Å; G231-L235 PolarHBondContact O-N 3.42Å; L232-L235 PolarHBondContact O-N 2.87Å; L235-L239 PolarHBondContact O-N 2.75Å; L235-L239 VanDerWaalsContact O-N 3.11Å |
| 236 | C | 85.5 | Confident | 84.7 | Confident | 53 Ų | 53 | 52.9 Ų | 52.9 | 36% | 0.358 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 176.8 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | T209 V213 L232 S233 L239 V240 | T209-C236 HydrophobicContact CG2-CB 4.34Å; V213-C236 HydrophobicContact CG1-CB 4.21Å; V213-C236 HydrophobicContact CG2-CB 3.94Å; L232-C236 PolarHBondContact O-N 2.84Å; L232-C236 PolarHBondContact O-SG 2.9Å; S233-C236 PolarHBondContact O-N 3.29Å; C236-L239 PolarHBondContact O-N 3.42Å; C236-V240 PolarHBondContact O-N 3.14Å |
| 237 | S | 86.1 | Confident | 85 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.028 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 178.5 | 78.4 | 0 | 0 | 0 | 0 | 112 | D206 S233 S234 L239 V240 A241 | D206-S237 VanDerWaalsContact O-CB 3.31Å; D206-S237 WeakPolarHBondContact O-CB 3.35Å; D206-S237 WeakPolarHBondContact OD1-CB 3.22Å; D206-S237 PolarHBondContact OD1-OG 3.49Å; S233-S237 WeakPolarHBondContact O-CB 3.41Å; S233-S237 PolarHBondContact O-N 3.42Å; S233-S237 PolarHBondContact O-OG 3.14Å; S234-S237 PolarHBondContact O-OG 3.49Å; S237-L239 VanDerWaalsContact C-N 3.28Å; S237-L239 PolarHBondContact O-N 2.85Å; S237-V240 PolarHBondContact O-N 3.09Å; S237-A241 WeakPolarHBondContact O-CB 3.43Å; S237-A241 PolarHBondContact O-N 3.28Å |
| 238 | G | 83.8 | Confident | 85.3 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.3 | -35.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S234 S242 | S234-G238 PolarHBondContact O-N 3.03Å; G238-S242 WeakPolarHBondContact O-CB 3.24Å; G238-S242 PolarHBondContact O-N 2.99Å; G238-S242 PolarHBondContact O-OG 2.86Å |
| 239 | L | 86.1 | Confident | 85.6 | Confident | 93 Ų | 93 | 39 Ų | 39 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.4 | -50.3 | 175.4 | -178.5 | 63.8 | 0 | 0 | 0 | 111.6 | L235 C236 S237 A241 S242 I243 | L235-L239 PolarHBondContact O-N 2.75Å; L235-L239 VanDerWaalsContact O-N 3.11Å; C236-L239 PolarHBondContact O-N 3.42Å; S237-L239 VanDerWaalsContact C-N 3.28Å; S237-L239 PolarHBondContact O-N 2.85Å; L239-A241 PolarHBondContact O-N 3.42Å; L239-S242 WeakPolarHBondContact O-CB 3.39Å; L239-S242 PolarHBondContact O-N 2.85Å; L239-S242 VanDerWaalsContact O-N 3.16Å; L239-I243 HydrophobicContact CD1-CD1 4.32Å; L239-I243 HydrophobicContact CG-CD1 4.05Å; L239-I243 WeakPolarHBondContact O-CG1 3.44Å; L239-I243 PolarHBondContact O-N 2.93Å |
| 240 | V | 86.9 | Confident | 85.7 | Confident | 50 Ų | 50 | 39 Ų | 39 | 30% | 0.303 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 179.5 | 175.6 | 0 | 0 | 0 | 0 | 111 | T209 C236 S237 S242 I243 L244 | T209-V240 HydrophobicContact CG2-CB 4.11Å; T209-V240 HydrophobicContact CG2-CG2 3.73Å; T209-V240 WeakPolarHBondContact OG1-CB 3.31Å; T209-V240 WeakPolarHBondContact OG1-CG1 3.26Å; C236-V240 PolarHBondContact O-N 3.14Å; S237-V240 PolarHBondContact O-N 3.09Å; V240-S242 VanDerWaalsContact C-N 3.26Å; V240-S242 PolarHBondContact O-N 3.3Å; V240-I243 PolarHBondContact O-N 3.2Å; V240-I243 VanDerWaalsContact O-N 3.17Å; V240-L244 HydrophobicContact CG1-CD1 3.99Å; V240-L244 HydrophobicContact CG1-CG 4.36Å; V240-L244 WeakPolarHBondContact O-CG 3.41Å; V240-L244 PolarHBondContact O-N 2.99Å |
| 241 | A | 86.3 | Confident | 86 | Confident | 8 Ų | 8 | 37 Ų | 37 | 7% | 0.066 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.4 | -37.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | V202 D206 S237 L239 G245 | V202-A241 HydrophobicContact CG1-CB 4.27Å; D206-A241 HydrophobicContact CB-CB 3.97Å; S237-A241 WeakPolarHBondContact O-CB 3.43Å; S237-A241 PolarHBondContact O-N 3.28Å; L239-A241 PolarHBondContact O-N 3.42Å; A241-G245 WeakPolarHBondContact O-CA 3.42Å; A241-G245 PolarHBondContact O-N 2.89Å |
| 242 | S | 83.9 | Confident | 86.3 | Confident | 28 Ų | 28 | 36.3 Ų | 36.3 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.6 | -40.1 | 175.5 | -62 | 0 | 0 | 0 | 0 | 112.4 | G238 L239 V240 G245 T246 | G238-S242 WeakPolarHBondContact O-CB 3.24Å; G238-S242 PolarHBondContact O-N 2.99Å; G238-S242 PolarHBondContact O-OG 2.86Å; L239-S242 WeakPolarHBondContact O-CB 3.39Å; L239-S242 PolarHBondContact O-N 2.85Å; L239-S242 VanDerWaalsContact O-N 3.16Å; V240-S242 VanDerWaalsContact C-N 3.26Å; V240-S242 PolarHBondContact O-N 3.3Å; S242-G245 PolarHBondContact O-N 3.32Å; S242-T246 WeakPolarHBondContact O-CB 3.45Å; S242-T246 PolarHBondContact O-N 3.5Å; S242-T246 PolarHBondContact O-OG1 3.41Å |
| 243 | I | 87.6 | Confident | 86.3 | Confident | 68 Ų | 68 | 33.1 Ų | 33.1 | 35% | 0.349 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.1 | -46.7 | 176.8 | -69.4 | 166.2 | 0 | 0 | 0 | 110.4 | L239 V240 P247 Y289 | L239-I243 HydrophobicContact CD1-CD1 4.32Å; L239-I243 HydrophobicContact CG-CD1 4.05Å; L239-I243 WeakPolarHBondContact O-CG1 3.44Å; L239-I243 PolarHBondContact O-N 2.93Å; V240-I243 PolarHBondContact O-N 3.2Å; V240-I243 VanDerWaalsContact O-N 3.17Å; I243-P247 WeakPolarHBondContact O-CD 3.32Å; I243-Y289 HydrophobicContact CG2-CE1 4.37Å |
| 244 | L | 87.1 | Confident | 86.3 | Confident | 73 Ų | 73 | 33.2 Ų | 33.2 | 38% | 0.382 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -73.3 | -33.6 | 178.7 | -64.9 | 178.5 | 0 | 0 | 0 | 112.7 | V240 | V240-L244 HydrophobicContact CG1-CD1 3.99Å; V240-L244 HydrophobicContact CG1-CG 4.36Å; V240-L244 WeakPolarHBondContact O-CG 3.41Å; V240-L244 PolarHBondContact O-N 2.99Å |
| 245 | G | 86 | Confident | 86.5 | Confident | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -77.5 | -32.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A241 S242 A248 D249 | A241-G245 WeakPolarHBondContact O-CA 3.42Å; A241-G245 PolarHBondContact O-N 2.89Å; S242-G245 PolarHBondContact O-N 3.32Å; G245-A248 PolarHBondContact O-N 2.88Å; G245-D249 PolarHBondContact O-N 3.29Å |
| 246 | T | 87.1 | Confident | 86.4 | Confident | 5 Ų | 5 | 25.3 Ų | 25.3 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.6 | -44.6 | -172.6 | -57.4 | 0 | 0 | 0 | 0 | 113.7 | S242 A248 D249 V250 L288 Y289 F292 | S242-T246 WeakPolarHBondContact O-CB 3.45Å; S242-T246 PolarHBondContact O-N 3.5Å; S242-T246 PolarHBondContact O-OG1 3.41Å; T246-A248 VanDerWaalsContact C-N 3.28Å; T246-A248 PolarHBondContact O-N 3.45Å; T246-D249 WeakPolarHBondContact O-CB 3.42Å; T246-D249 PolarHBondContact O-N 3.11Å; T246-V250 PolarHBondContact O-N 3.01Å; T246-L288 CarbonylContact C-O 3.48Å; T246-Y289 HydrophobicContact CG2-CD1 4.44Å; T246-F292 HydrophobicContact CG2-CB 4.05Å; T246-F292 HydrophobicContact CG2-CD2 4.31Å; T246-F292 WeakPolarHBondContact OG1-CD2 3.29Å |
| 247 | P | 88.8 | Confident | 86.4 | Confident | 22 Ų | 22 | 24.2 Ų | 24.2 | 14% | 0.143 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.9 | -41.4 | 172.8 | -26.5 | 36.1 | 0 | 0 | 0 | 112.5 | I243 V250 I251 L288 Y289 | I243-P247 WeakPolarHBondContact O-CD 3.32Å; P247-V250 PolarHBondContact O-N 3Å; P247-I251 WeakPolarHBondContact O-CD1 3.32Å; P247-I251 VanDerWaalsContact O-CG1 3.3Å; P247-I251 WeakPolarHBondContact O-CG1 3.18Å; P247-I251 PolarHBondContact O-N 2.88Å; P247-L288 HydrophobicContact CB-CB 4.02Å; P247-L288 HydrophobicContact CB-CD1 4.43Å; P247-L288 HydrophobicContact CG-CB 4.24Å; P247-Y289 HydrophobicContact CG-CE1 4.34Å; P247-Y289 HydrophobicContact CG-CE2 4.33Å |
| 248 | A | 88.6 | Confident | 86.1 | Confident | 9 Ų | 9 | 24.4 Ų | 24.4 | 7% | 0.074 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.7 | -36.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R198 L201 G245 T246 I251 K252 | R198-A248 HydrophobicContact CB-CB 3.78Å; R198-A248 HydrophobicContact CG-CB 3.95Å; L201-A248 HydrophobicContact CD1-CB 3.93Å; G245-A248 PolarHBondContact O-N 2.88Å; T246-A248 VanDerWaalsContact C-N 3.28Å; T246-A248 PolarHBondContact O-N 3.45Å; A248-I251 PolarHBondContact O-N 3.31Å; A248-K252 WeakPolarHBondContact O-CB 3.34Å; A248-K252 PolarHBondContact O-N 3.45Å |
| 249 | D | 86.6 | Confident | 85.8 | Confident | 17 Ų | 17 | 25.5 Ų | 25.5 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 172.5 | -83.7 | 4.8 | 0 | 0 | 0 | 111 | K43 R198 G245 T246 S253 | K43-D249 IonicContact NZ-OD2 3.87Å; K43-D249 PolarHBondContact NZ-OD2 2.96Å; R198-D249 WeakPolarHBondContact CD-OD1 3.48Å; R198-D249 VanDerWaalsContact CG-OD1 3.29Å; R198-D249 WeakPolarHBondContact CG-OD1 3.28Å; R198-D249 IonicContact CZ-OD1 2.68Å; R198-D249 IonicContact NE-OD1 3.77Å; R198-D249 IonicContact NH1-OD1 2.98Å; R198-D249 PolarHBondContact NH1-OD1 3.04Å; R198-D249 IonicContact NH1-OD2 2.69Å; G245-D249 PolarHBondContact O-N 3.29Å; T246-D249 WeakPolarHBondContact O-CB 3.42Å; T246-D249 PolarHBondContact O-N 3.11Å; D249-S253 WeakPolarHBondContact O-CB 3.27Å; D249-S253 PolarHBondContact O-N 3.11Å; D249-S253 PolarHBondContact O-OG 3.3Å; D249-S253 VanDerWaalsContact O-OG 3.06Å |
| 250 | V | 86.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62 | -50.5 | 177.9 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | Q47 T246 P247 K252 S253 R254 L288 | Q47-V250 HydrophobicContact CB-CG2 4.3Å; Q47-V250 HydrophobicContact CG-CG2 4Å; T246-V250 PolarHBondContact O-N 3.01Å; P247-V250 PolarHBondContact O-N 3Å; V250-K252 PolarHBondContact O-N 3.19Å; V250-S253 PolarHBondContact O-N 3.07Å; V250-R254 WeakPolarHBondContact O-CG 3.31Å; V250-R254 PolarHBondContact O-N 2.96Å; V250-L288 VanDerWaalsContact CG2-O 3.29Å; V250-L288 WeakPolarHBondContact CG2-O 3.21Å |
| 251 | I | 88.3 | Confident | 84.5 | Confident | 20 Ų | 20 | 24 Ų | 24 | 10% | 0.103 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | -180 | -64.6 | 160.8 | 0 | 0 | 0 | 111.1 | P247 A248 S253 R254 I255 C275 L276 | P247-I251 WeakPolarHBondContact O-CD1 3.32Å; P247-I251 VanDerWaalsContact O-CG1 3.3Å; P247-I251 WeakPolarHBondContact O-CG1 3.18Å; P247-I251 PolarHBondContact O-N 2.88Å; A248-I251 PolarHBondContact O-N 3.31Å; I251-S253 PolarHBondContact O-N 2.91Å; I251-R254 PolarHBondContact O-N 3.16Å; I251-I255 HydrophobicContact CG2-CD1 3.69Å; I251-I255 HydrophobicContact CG2-CG1 4.49Å; I251-I255 WeakPolarHBondContact O-CG1 3.26Å; I251-I255 PolarHBondContact O-N 2.85Å; I251-C275 HydrophobicContact CG2-CB 4.18Å; I251-L276 HydrophobicContact CD1-CB 3.92Å; I251-L276 HydrophobicContact CD1-CD1 4.06Å; I251-L276 HydrophobicContact CD1-CG 4.43Å |
| 252 | K | 88.1 | Confident | 83.6 | Confident | 25 Ų | 25 | 32.2 Ų | 32.2 | 11% | 0.109 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.5 | -54.8 | 175.6 | 173.2 | -171 | 171.5 | 177.1 | 0 | 110.2 | D148 P194 N195 A248 V250 R254 I255 M256 | D148-K252 IonicContact OD2-NZ 3.94Å; D148-K252 PolarHBondContact OD2-NZ 2.91Å; P194-K252 HydrophobicContact CB-CB 4.32Å; N195-K252 HydrophobicContact CB-CD 4.29Å; N195-K252 VanDerWaalsContact CG-CE 3.42Å; N195-K252 VanDerWaalsContact CG-NZ 3.26Å; N195-K252 PolarHBondContact ND2-NZ 2.98Å; N195-K252 WeakPolarHBondContact OD1-CE 3.44Å; N195-K252 PolarHBondContact OD1-NZ 3.4Å; A248-K252 WeakPolarHBondContact O-CB 3.34Å; A248-K252 PolarHBondContact O-N 3.45Å; V250-K252 PolarHBondContact O-N 3.19Å; K252-R254 VanDerWaalsContact C-N 3.27Å; K252-R254 PolarHBondContact O-N 3.24Å; K252-I255 PolarHBondContact O-N 3.32Å; K252-M256 HydrophobicContact CD-SD 4.02Å; K252-M256 WeakPolarHBondContact CE-SD 3.37Å; K252-M256 HydrophobicContact CG-CG 4.36Å; K252-M256 HydrophobicContact CG-SD 3.44Å; K252-M256 WeakPolarHBondContact CG-SD 3.12Å; K252-M256 WeakPolarHBondContact O-CB 3.42Å; K252-M256 WeakPolarHBondContact O-CG 3.31Å; K252-M256 PolarHBondContact O-N 3.47Å |
| 253 | S | 84.8 | Confident | 82.6 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.4 | -40.4 | -177.5 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | Q47 M48 D249 V250 I251 M256 N257 | Q47-S253 PolarHBondContact OE1-OG 3.42Å; M48-S253 VanDerWaalsContact SD-C 3.55Å; D249-S253 WeakPolarHBondContact O-CB 3.27Å; D249-S253 PolarHBondContact O-N 3.11Å; D249-S253 PolarHBondContact O-OG 3.3Å; D249-S253 VanDerWaalsContact O-OG 3.06Å; V250-S253 PolarHBondContact O-N 3.07Å; I251-S253 PolarHBondContact O-N 2.91Å; S253-M256 PolarHBondContact O-N 2.82Å; S253-N257 VanDerWaalsContact O-CB 3.29Å; S253-N257 WeakPolarHBondContact O-CB 3.34Å; S253-N257 PolarHBondContact O-N 3.09Å |
| 254 | R | 86.6 | Confident | 81.6 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.2 | -46.3 | 179.9 | -69 | -178.1 | -175.6 | -150.4 | -4.7 | 112.2 | M48 E51 V250 I251 K252 M256 N257 Q258 Y269 E283 | M48-R254 HydrophobicContact CE-CB 4.09Å; M48-R254 HydrophobicContact CE-CG 3.24Å; M48-R254 HydrophobicContact SD-CG 4.09Å; E51-R254 HydrophobicContact CG-CG 3.95Å; E51-R254 WeakPolarHBondContact OE1-CA 3.13Å; E51-R254 VanDerWaalsContact OE1-CB 3.3Å; E51-R254 WeakPolarHBondContact OE1-CB 3.34Å; E51-R254 WeakPolarHBondContact OE1-CG 3.41Å; V250-R254 WeakPolarHBondContact O-CG 3.31Å; V250-R254 PolarHBondContact O-N 2.96Å; I251-R254 PolarHBondContact O-N 3.16Å; K252-R254 VanDerWaalsContact C-N 3.27Å; K252-R254 PolarHBondContact O-N 3.24Å; R254-M256 VanDerWaalsContact C-N 3.27Å; R254-M256 PolarHBondContact O-N 3.22Å; R254-N257 PolarHBondContact O-N 3.35Å; R254-Q258 PolarHBondContact O-N 2.88Å; R254-Y269 HydrophobicContact CB-CE2 4.01Å; R254-E283 IonicContact CZ-OE1 3.78Å; R254-E283 IonicContact CZ-OE2 2.76Å; R254-E283 IonicContact NH1-OE1 2.92Å; R254-E283 PolarHBondContact NH1-OE1 2.84Å; R254-E283 IonicContact NH1-OE2 2.91Å; R254-E283 VanDerWaalsContact NH2-CD 3.28Å; R254-E283 IonicContact NH2-OE1 3.19Å; R254-E283 PolarHBondContact NH2-OE1 3.33Å; R254-E283 IonicContact NH2-OE2 3.88Å; R254-E283 PolarHBondContact NH2-OE2 3.31Å |
| 255 | I | 86.4 | Confident | 80.8 | Confident | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.067 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.1 | -26.8 | 179.9 | -69.6 | 173.6 | 0 | 0 | 0 | 112.5 | P194 I251 K252 Q258 R260 Y269 S272 C275 | P194-I255 HydrophobicContact CG-CB 4.27Å; P194-I255 HydrophobicContact CG-CD1 4.19Å; P194-I255 HydrophobicContact CG-CG2 3.97Å; I251-I255 HydrophobicContact CG2-CD1 3.69Å; I251-I255 HydrophobicContact CG2-CG1 4.49Å; I251-I255 WeakPolarHBondContact O-CG1 3.26Å; I251-I255 PolarHBondContact O-N 2.85Å; K252-I255 PolarHBondContact O-N 3.32Å; I255-Q258 WeakPolarHBondContact O-CG 3.23Å; I255-R260 PolarHBondContact O-NH2 3.45Å; I255-Y269 HydrophobicContact CG1-CD2 4.44Å; I255-S272 VanDerWaalsContact CD1-CA 3.45Å; I255-C275 HydrophobicContact CD1-CB 3.91Å; I255-C275 HydrophobicContact CG1-CB 4.08Å |
| 256 | M | 84.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -80.4 | -32.8 | 175.6 | -68.9 | 179.5 | 77 | 0 | 0 | 112.3 | D148 L149 V152 Q153 K252 S253 R254 | D148-M256 HydrophobicContact CB-CE 3.48Å; D148-M256 VanDerWaalsContact CB-CE 3.48Å; L149-M256 HydrophobicContact CB-CE 3.96Å; L149-M256 HydrophobicContact CD1-CB 3.94Å; L149-M256 HydrophobicContact CD1-CE 4.31Å; L149-M256 HydrophobicContact CD1-CG 4.32Å; L149-M256 VanDerWaalsContact CD1-O 3.22Å; L149-M256 WeakPolarHBondContact CD1-O 3.47Å; V152-M256 HydrophobicContact CB-CB 4.3Å; V152-M256 HydrophobicContact CG1-CB 4.1Å; V152-M256 HydrophobicContact CG2-CB 4.48Å; V152-M256 HydrophobicContact CG2-CE 4.37Å; V152-M256 HydrophobicContact CG2-SD 4.45Å; Q153-M256 PolarHBondContact NE2-O 2.8Å; K252-M256 HydrophobicContact CD-SD 4.02Å; K252-M256 WeakPolarHBondContact CE-SD 3.37Å; K252-M256 HydrophobicContact CG-CG 4.36Å; K252-M256 HydrophobicContact CG-SD 3.44Å; K252-M256 WeakPolarHBondContact CG-SD 3.12Å; K252-M256 WeakPolarHBondContact O-CB 3.42Å; K252-M256 WeakPolarHBondContact O-CG 3.31Å; K252-M256 PolarHBondContact O-N 3.47Å; S253-M256 PolarHBondContact O-N 2.82Å; R254-M256 VanDerWaalsContact C-N 3.27Å; R254-M256 PolarHBondContact O-N 3.22Å |
| 257 | N | 84.8 | Confident | 79.7 | Confident | 31 Ų | 31 | 46.2 Ų | 46.2 | 17% | 0.166 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -80.7 | -31 | 179.2 | -172 | 48 | 0 | 0 | 0 | 113.9 | M48 E51 V152 M156 S253 R254 | M48-N257 HydrophobicContact SD-CB 3.87Å; E51-N257 PolarHBondContact OE2-ND2 2.92Å; V152-N257 HydrophobicContact CG1-CB 4.23Å; M156-N257 WeakPolarHBondContact CB-OD1 3.3Å; M156-N257 WeakPolarHBondContact CG-OD1 3.47Å; S253-N257 VanDerWaalsContact O-CB 3.29Å; S253-N257 WeakPolarHBondContact O-CB 3.34Å; S253-N257 PolarHBondContact O-N 3.09Å; R254-N257 PolarHBondContact O-N 3.35Å |
| 258 | Q | 80.3 | Confident | 79.3 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -54.9 | 146.8 | -174 | 66.9 | 170.9 | -45.6 | 0 | 0 | 113.7 | R254 I255 L268 Y269 | R254-Q258 PolarHBondContact O-N 2.88Å; I255-Q258 WeakPolarHBondContact O-CG 3.23Å; Q258-L268 HydrophobicContact CB-CB 4.27Å; Q258-L268 HydrophobicContact CB-CD1 4.03Å; Q258-Y269 HydrophobicContact CB-CD2 4.38Å; Q258-Y269 PolarHBondContact NE2-O 3.35Å; Q258-Y269 PolarHBondContact OE1-O 3.47Å |
| 259 | P | 76.5 | Confident | 78.9 | Confident | 53 Ų | 53 | 47.9 Ų | 47.9 | 34% | 0.344 | 24% | 0.237 | S | C | . | . | trans | -66.4 | 147.3 | 171.6 | 30.1 | -33.2 | 0 | 0 | 0 | 110.2 | L267 L268 | P259-L267 HydrophobicContact CB-CD1 4.12Å; P259-L267 HydrophobicContact CG-CB 4.36Å; P259-L267 HydrophobicContact CG-CD1 4.26Å; P259-L267 PolarHBondContact O-N 3.5Å; P259-L268 HydrophobicContact CG-CD1 4.35Å | ||
| 260 | R | 75.1 | Confident | 78.6 | Confident | 39 Ų | 39 | 56.3 Ų | 56.3 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -125.4 | 146.6 | -177.6 | -60.4 | -174 | 178.2 | 147.1 | -1 | 109.9 | G187 A190 I255 R265 | G187-R260 PolarHBondContact O-NH1 3.01Å; A190-R260 PolarHBondContact O-NH1 3.43Å; A190-R260 VanDerWaalsContact O-NH1 3.07Å; A190-R260 PolarHBondContact O-NH2 3.18Å; I255-R260 PolarHBondContact O-NH2 3.45Å; R260-R265 VanDerWaalsContact CA-O 3.25Å; R260-R265 WeakPolarHBondContact CA-O 3.04Å |
| 261 | D | 71.6 | Confident | 78.5 | Confident | 74 Ų | 74 | 58.7 Ų | 58.7 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | trans | -74 | 167.6 | 171.9 | -171.1 | 21.8 | 0 | 0 | 0 | 111.3 | Q263 G264 R265 L267 | D261-Q263 PolarHBondContact O-N 3.19Å; D261-Q263 VanDerWaalsContact O-N 3.09Å; D261-G264 WeakPolarHBondContact O-CA 3.36Å; D261-G264 PolarHBondContact O-N 2.87Å; D261-R265 PolarHBondContact N-O 2.95Å; D261-L267 HydrophobicContact CB-CD2 4.08Å | ||
| 262 | K | 66.1 | Low | 78.3 | Confident | 180 Ų | 180 | 58.7 Ų | 58.7 | 78% | 0.783 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -25.3 | 174.8 | -63.8 | -176 | 179.3 | -179.1 | 0 | 112.9 | G264 | K262-G264 VanDerWaalsContact C-N 3.28Å; K262-G264 PolarHBondContact O-N 2.86Å |
| 263 | Q | 63.6 | Low | 78.3 | Confident | 138 Ų | 138 | 61.8 Ų | 61.8 | 65% | 0.645 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 1.7 | 175.2 | -60.1 | -177.4 | -0.1 | 0 | 0 | 113.7 | D261 R265 | D261-Q263 PolarHBondContact O-N 3.19Å; D261-Q263 VanDerWaalsContact O-N 3.09Å; Q263-R265 VanDerWaalsContact C-N 3.28Å; Q263-R265 PolarHBondContact O-N 3.02Å |
| 264 | G | 65.8 | Low | 78.3 | Confident | 19 Ų | 19 | 63 Ų | 63 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 78.2 | 5.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D261 K262 | D261-G264 WeakPolarHBondContact O-CA 3.36Å; D261-G264 PolarHBondContact O-N 2.87Å; K262-G264 VanDerWaalsContact C-N 3.28Å; K262-G264 PolarHBondContact O-N 2.86Å |
| 265 | R | 70.1 | Confident | 78.3 | Confident | 176 Ų | 176 | 63 Ų | 63 | 66% | 0.664 | 32% | 0.319 | S | S | * | . | trans | -76.7 | 137.3 | 176.9 | -65.7 | -179 | 179.2 | 179.2 | 0.4 | 110.5 | R260 D261 Q263 | R260-R265 VanDerWaalsContact CA-O 3.25Å; R260-R265 WeakPolarHBondContact CA-O 3.04Å; D261-R265 PolarHBondContact N-O 2.95Å; Q263-R265 VanDerWaalsContact C-N 3.28Å; Q263-R265 PolarHBondContact O-N 3.02Å | ||
| 266 | G | 73.9 | Confident | 78.3 | Confident | 23 Ų | 23 | 65.4 Ų | 65.4 | 24% | 0.237 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -67.2 | 130.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 267 | L | 77.8 | Confident | 78.4 | Confident | 115 Ų | 115 | 69.6 Ų | 69.6 | 60% | 0.602 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -80.3 | -27.6 | -179.4 | -67.6 | 174.1 | 0 | 0 | 0 | 112.5 | P259 D261 | P259-L267 HydrophobicContact CB-CD1 4.12Å; P259-L267 HydrophobicContact CG-CB 4.36Å; P259-L267 HydrophobicContact CG-CD1 4.26Å; P259-L267 PolarHBondContact O-N 3.5Å; D261-L267 HydrophobicContact CB-CD2 4.08Å |
| 268 | L | 78.8 | Confident | 78.4 | Confident | 61 Ų | 61 | 70.8 Ų | 70.8 | 32% | 0.319 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -95.3 | -41.7 | -178.3 | -67.7 | 169.4 | 0 | 0 | 0 | 111.6 | A55 Q258 P259 | A55-L268 HydrophobicContact CB-CD2 4.47Å; Q258-L268 HydrophobicContact CB-CB 4.27Å; Q258-L268 HydrophobicContact CB-CD1 4.03Å; P259-L268 HydrophobicContact CG-CD1 4.35Å |
| 269 | Y | 81.4 | Confident | 78.5 | Confident | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | trans | -129.7 | 125.9 | -175.2 | -49.3 | -65.2 | 0 | 0 | 0 | 110.8 | R254 I255 Q258 C275 Q278 | R254-Y269 HydrophobicContact CB-CE2 4.01Å; I255-Y269 HydrophobicContact CG1-CD2 4.44Å; Q258-Y269 HydrophobicContact CB-CD2 4.38Å; Q258-Y269 PolarHBondContact NE2-O 3.35Å; Q258-Y269 PolarHBondContact OE1-O 3.47Å; Y269-C275 HydrophobicContact CD1-CB 3.78Å; Y269-C275 HydrophobicContact CD2-CB 4.28Å; Y269-C275 HydrophobicContact CE1-CB 4.33Å; Y269-C275 HydrophobicContact CG-CB 3.74Å; Y269-Q278 HydrophobicContact CE1-CB 4.35Å | ||
| 270 | K | 80 | Confident | 79 | Confident | 195 Ų | 195 | 70.5 Ų | 70.5 | 85% | 0.848 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -75.4 | -31.2 | 177.7 | -63.5 | 178.4 | -176.3 | 175.1 | 0 | 112 | D274 | K270-D274 PolarHBondContact N-OD2 2.96Š|
| 271 | S | 84.5 | Confident | 79.2 | Confident | 50 Ų | 50 | 76.2 Ų | 76.2 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -156.4 | 170.3 | -175.2 | 66 | 0 | 0 | 0 | 0 | 112.3 | T273 D274 C275 | S271-T273 VanDerWaalsContact C-N 3.27Å; S271-T273 PolarHBondContact O-N 3.46Å; S271-T273 PolarHBondContact OG-OG1 2.92Å; S271-D274 PolarHBondContact O-N 3.1Å; S271-D274 WeakPolarHBondContact OG-CB 3.26Å; S271-D274 PolarHBondContact OG-N 3.44Å; S271-D274 VanDerWaalsContact OG-N 3.13Å; S271-C275 PolarHBondContact O-N 3.43Å |
| 272 | S | 84.8 | Confident | 79.5 | Confident | 19 Ų | 19 | 74.2 Ų | 74.2 | 13% | 0.133 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57 | -39.2 | 172 | -54.2 | 0 | 0 | 0 | 0 | 112.9 | Q197 I255 L276 | Q197-S272 PolarHBondContact OE1-OG 3.45Å; I255-S272 VanDerWaalsContact CD1-CA 3.45Å; S272-L276 PolarHBondContact O-N 3.38Å; S272-L276 VanDerWaalsContact O-N 3.09Å |
| 273 | T | 86.6 | Confident | 80 | Confident | 90 Ų | 90 | 67.7 Ų | 67.7 | 55% | 0.552 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -73.8 | -39 | -179.1 | 50.5 | 0 | 0 | 0 | 0 | 111.8 | S271 L276 I277 | S271-T273 VanDerWaalsContact C-N 3.27Å; S271-T273 PolarHBondContact O-N 3.46Å; S271-T273 PolarHBondContact OG-OG1 2.92Å; T273-L276 WeakPolarHBondContact O-CB 3.27Å; T273-L276 PolarHBondContact O-N 2.99Å; T273-I277 VanDerWaalsContact O-CG1 3.32Å; T273-I277 WeakPolarHBondContact O-CG1 3.42Å; T273-I277 PolarHBondContact O-N 2.75Å |
| 274 | D | 85.9 | Confident | 80.9 | Confident | 36 Ų | 36 | 62.6 Ų | 62.6 | 19% | 0.193 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 173.5 | -177.7 | 37.1 | 0 | 0 | 0 | 111.1 | K270 S271 L276 I277 Q278 | K270-D274 PolarHBondContact N-OD2 2.96Å; S271-D274 PolarHBondContact O-N 3.1Å; S271-D274 WeakPolarHBondContact OG-CB 3.26Å; S271-D274 PolarHBondContact OG-N 3.44Å; S271-D274 VanDerWaalsContact OG-N 3.13Å; D274-L276 VanDerWaalsContact C-N 3.31Å; D274-L276 PolarHBondContact O-N 3.4Å; D274-I277 PolarHBondContact O-N 2.9Å; D274-Q278 VanDerWaalsContact CG-NE2 3.27Å; D274-Q278 WeakPolarHBondContact O-CB 3.48Å; D274-Q278 VanDerWaalsContact O-CG 3.3Å; D274-Q278 WeakPolarHBondContact O-CG 3.46Å; D274-Q278 PolarHBondContact O-N 3.49Å; D274-Q278 PolarHBondContact OD1-NE2 3.15Å; D274-Q278 PolarHBondContact OD2-NE2 2.92Å |
| 275 | C | 85.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59 | -40.3 | 173.9 | -176.1 | 0 | 0 | 0 | 0 | 112.7 | I251 I255 Y269 S271 A279 | I251-C275 HydrophobicContact CG2-CB 4.18Å; I255-C275 HydrophobicContact CD1-CB 3.91Å; I255-C275 HydrophobicContact CG1-CB 4.08Å; Y269-C275 HydrophobicContact CD1-CB 3.78Å; Y269-C275 HydrophobicContact CD2-CB 4.28Å; Y269-C275 HydrophobicContact CE1-CB 4.33Å; Y269-C275 HydrophobicContact CG-CB 3.74Å; S271-C275 PolarHBondContact O-N 3.43Å; C275-A279 WeakPolarHBondContact O-CB 3.42Å; C275-A279 PolarHBondContact O-N 2.99Å |
| 276 | L | 87.4 | Confident | 82.4 | Confident | 64 Ų | 64 | 66.2 Ų | 66.2 | 34% | 0.335 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.8 | -50.7 | 177.3 | 171.1 | 62.6 | 0 | 0 | 0 | 111.5 | I251 S272 T273 D274 Q278 A279 V280 L288 | I251-L276 HydrophobicContact CD1-CB 3.92Å; I251-L276 HydrophobicContact CD1-CD1 4.06Å; I251-L276 HydrophobicContact CD1-CG 4.43Å; S272-L276 PolarHBondContact O-N 3.38Å; S272-L276 VanDerWaalsContact O-N 3.09Å; T273-L276 WeakPolarHBondContact O-CB 3.27Å; T273-L276 PolarHBondContact O-N 2.99Å; D274-L276 VanDerWaalsContact C-N 3.31Å; D274-L276 PolarHBondContact O-N 3.4Å; L276-Q278 VanDerWaalsContact C-N 3.34Å; L276-Q278 PolarHBondContact O-N 3.42Å; L276-A279 PolarHBondContact O-N 3.02Å; L276-V280 HydrophobicContact CD1-CG2 4Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.48Å; L276-L288 HydrophobicContact CD1-CD1 3.59Å; L276-L288 HydrophobicContact CD1-CD2 3.89Å; L276-L288 HydrophobicContact CD1-CG 4.39Å |
| 277 | I | 86.1 | Confident | 82.7 | Confident | 88 Ų | 88 | 65.2 Ų | 65.2 | 45% | 0.451 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.3 | -49 | -178.7 | -68.6 | 165.7 | 0 | 0 | 0 | 109.8 | T273 D274 A279 V280 Q281 | T273-I277 VanDerWaalsContact O-CG1 3.32Å; T273-I277 WeakPolarHBondContact O-CG1 3.42Å; T273-I277 PolarHBondContact O-N 2.75Å; D274-I277 PolarHBondContact O-N 2.9Å; I277-A279 PolarHBondContact O-N 3.39Å; I277-V280 PolarHBondContact O-N 3.08Å; I277-Q281 HydrophobicContact CG2-CG 4.37Å; I277-Q281 WeakPolarHBondContact O-CB 3.48Å; I277-Q281 WeakPolarHBondContact O-CG 3.43Å; I277-Q281 PolarHBondContact O-N 2.7Å |
| 278 | Q | 83.8 | Confident | 83 | Confident | 56 Ų | 56 | 60 Ų | 60 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 178.9 | -70.6 | -174.7 | 31.3 | 0 | 0 | 112.3 | L54 Y269 D274 L276 V280 Q281 G282 | L54-Q278 HydrophobicContact CD2-CB 3.7Å; Y269-Q278 HydrophobicContact CE1-CB 4.35Å; D274-Q278 VanDerWaalsContact CG-NE2 3.27Å; D274-Q278 WeakPolarHBondContact O-CB 3.48Å; D274-Q278 VanDerWaalsContact O-CG 3.3Å; D274-Q278 WeakPolarHBondContact O-CG 3.46Å; D274-Q278 PolarHBondContact O-N 3.49Å; D274-Q278 PolarHBondContact OD1-NE2 3.15Å; D274-Q278 PolarHBondContact OD2-NE2 2.92Å; L276-Q278 VanDerWaalsContact C-N 3.34Å; L276-Q278 PolarHBondContact O-N 3.42Å; Q278-V280 PolarHBondContact O-N 3.35Å; Q278-Q281 PolarHBondContact O-N 2.79Å; Q278-G282 PolarHBondContact O-N 2.67Å |
| 279 | A | 83.9 | Confident | 83.4 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C275 L276 I277 E283 G284 L288 | C275-A279 WeakPolarHBondContact O-CB 3.42Å; C275-A279 PolarHBondContact O-N 2.99Å; L276-A279 PolarHBondContact O-N 3.02Å; I277-A279 PolarHBondContact O-N 3.39Å; A279-E283 WeakPolarHBondContact O-CB 3.27Å; A279-E283 PolarHBondContact O-N 3.24Å; A279-G284 PolarHBondContact O-N 3.49Å; A279-L288 HydrophobicContact CB-CD2 4.31Å |
| 280 | V | 85.9 | Confident | 83.3 | Confident | 53 Ų | 53 | 61.5 Ų | 61.5 | 32% | 0.321 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.4 | -42.9 | 179.6 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | L276 I277 Q278 G284 L288 | L276-V280 HydrophobicContact CD1-CG2 4Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.48Å; I277-V280 PolarHBondContact O-N 3.08Å; Q278-V280 PolarHBondContact O-N 3.35Å; V280-G284 WeakPolarHBondContact O-CA 3.27Å; V280-G284 PolarHBondContact O-N 2.98Å; V280-L288 HydrophobicContact CG2-CD1 3.88Å; V280-L288 HydrophobicContact CG2-CG 4.47Å |
| 281 | Q | 80.7 | Confident | 83 | Confident | 158 Ų | 158 | 52.3 Ų | 52.3 | 74% | 0.738 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -71.2 | -36.9 | -179.9 | -72 | 178.1 | -18 | 0 | 0 | 112.9 | I277 Q278 | I277-Q281 HydrophobicContact CG2-CG 4.37Å; I277-Q281 WeakPolarHBondContact O-CB 3.48Å; I277-Q281 WeakPolarHBondContact O-CG 3.43Å; I277-Q281 PolarHBondContact O-N 2.7Å; Q278-Q281 PolarHBondContact O-N 2.79Å |
| 282 | G | 76.1 | Confident | 82.8 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 34% | 0.34 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -87.3 | -37.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q278 | Q278-G282 PolarHBondContact O-N 2.67Å |
| 283 | E | 77 | Confident | 82.4 | Confident | 43 Ų | 43 | 57.2 Ų | 57.2 | 20% | 0.201 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -117.9 | -7.6 | -173.4 | -59.6 | 176.4 | -140.6 | 0 | 0 | 113.8 | G50 L54 R254 A279 S287 K290 | G50-E283 VanDerWaalsContact CA-CD 3.45Å; G50-E283 VanDerWaalsContact CA-OE1 3.28Å; G50-E283 WeakPolarHBondContact CA-OE1 3.47Å; L54-E283 HydrophobicContact CD1-CG 4.37Å; L54-E283 WeakPolarHBondContact CD1-OE1 3.21Å; R254-E283 IonicContact CZ-OE1 3.78Å; R254-E283 IonicContact CZ-OE2 2.76Å; R254-E283 IonicContact NH1-OE1 2.92Å; R254-E283 PolarHBondContact NH1-OE1 2.84Å; R254-E283 IonicContact NH1-OE2 2.91Å; R254-E283 VanDerWaalsContact NH2-CD 3.28Å; R254-E283 IonicContact NH2-OE1 3.19Å; R254-E283 PolarHBondContact NH2-OE1 3.33Å; R254-E283 IonicContact NH2-OE2 3.88Å; R254-E283 PolarHBondContact NH2-OE2 3.31Å; A279-E283 WeakPolarHBondContact O-CB 3.27Å; A279-E283 PolarHBondContact O-N 3.24Å; E283-S287 VanDerWaalsContact CB-CB 3.47Å; E283-S287 WeakPolarHBondContact OE2-CB 2.94Å; E283-K290 IonicContact OE2-NZ 3.95Å; E283-K290 PolarHBondContact OE2-NZ 3.07Å |
| 284 | G | 82.3 | Confident | 81.8 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | trans | 83.1 | 165.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A279 V280 M286 S287 | A279-G284 PolarHBondContact O-N 3.49Å; V280-G284 WeakPolarHBondContact O-CA 3.27Å; V280-G284 PolarHBondContact O-N 2.98Å; G284-M286 VanDerWaalsContact C-N 3.32Å; G284-M286 PolarHBondContact O-N 3.44Å; G284-S287 VanDerWaalsContact O-CB 3.25Å; G284-S287 WeakPolarHBondContact O-CB 2.88Å; G284-S287 PolarHBondContact O-N 3.4Å; G284-S287 VanDerWaalsContact O-N 3.14Å; G284-S287 PolarHBondContact O-OG 2.89Å | ||
| 285 | F | 84.6 | Confident | 81.1 | Confident | 121 Ų | 121 | 52.4 Ų | 52.4 | 53% | 0.531 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -60.5 | -36.9 | -175.9 | -178.5 | -102.4 | 0 | 0 | 0 | 113.8 | S287 L288 Y289 | F285-S287 PolarHBondContact O-N 3.43Å; F285-S287 VanDerWaalsContact O-N 3.09Å; F285-L288 HydrophobicContact CD2-CD1 4.22Å; F285-L288 HydrophobicContact CE2-CD1 4.3Å; F285-L288 PolarHBondContact O-N 2.96Å; F285-Y289 HydrophobicContact CE1-CD2 4.49Å; F285-Y289 AromaticContact CE1-CE2 3.79Å; F285-Y289 HydrophobicContact CE1-CE2 3.79Å; F285-Y289 AromaticContact CZ-CE2 3.97Å; F285-Y289 HydrophobicContact CZ-CE2 3.97Å |
| 286 | M | 84.1 | Confident | 80.6 | Confident | 150 Ų | 150 | 59.7 Ų | 59.7 | 74% | 0.739 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -65.4 | -14.3 | 179.8 | -68.8 | -61.6 | 178.2 | 0 | 0 | 113.4 | G284 L288 Y289 | G284-M286 VanDerWaalsContact C-N 3.32Å; G284-M286 PolarHBondContact O-N 3.44Å; M286-L288 PolarHBondContact O-N 3.25Å; M286-Y289 PolarHBondContact O-N 2.86Å |
| 287 | S | 80.2 | Confident | 80.1 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -62.7 | -28 | 174.2 | 70.2 | 0 | 0 | 0 | 0 | 113.4 | E283 G284 F285 Y289 K290 | E283-S287 VanDerWaalsContact CB-CB 3.47Å; E283-S287 WeakPolarHBondContact OE2-CB 2.94Å; G284-S287 VanDerWaalsContact O-CB 3.25Å; G284-S287 WeakPolarHBondContact O-CB 2.88Å; G284-S287 PolarHBondContact O-N 3.4Å; G284-S287 VanDerWaalsContact O-N 3.14Å; G284-S287 PolarHBondContact O-OG 2.89Å; F285-S287 PolarHBondContact O-N 3.43Å; F285-S287 VanDerWaalsContact O-N 3.09Å; S287-Y289 PolarHBondContact O-N 3.35Å; S287-K290 WeakPolarHBondContact O-CB 3.28Å; S287-K290 WeakPolarHBondContact O-CD 3.49Å; S287-K290 VanDerWaalsContact O-CG 3.22Å; S287-K290 WeakPolarHBondContact O-CG 3.38Å; S287-K290 PolarHBondContact O-N 3.24Å |
| 288 | L | 84.6 | Confident | 79.8 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -71.4 | -18.2 | 179.7 | -62 | 175.2 | 0 | 0 | 0 | 113.2 | T246 P247 V250 L276 A279 V280 F285 M286 | T246-L288 CarbonylContact C-O 3.48Å; P247-L288 HydrophobicContact CB-CB 4.02Å; P247-L288 HydrophobicContact CB-CD1 4.43Å; P247-L288 HydrophobicContact CG-CB 4.24Å; V250-L288 VanDerWaalsContact CG2-O 3.29Å; V250-L288 WeakPolarHBondContact CG2-O 3.21Å; L276-L288 HydrophobicContact CD1-CD1 3.59Å; L276-L288 HydrophobicContact CD1-CD2 3.89Å; L276-L288 HydrophobicContact CD1-CG 4.39Å; A279-L288 HydrophobicContact CB-CD2 4.31Å; V280-L288 HydrophobicContact CG2-CD1 3.88Å; V280-L288 HydrophobicContact CG2-CG 4.47Å; F285-L288 HydrophobicContact CD2-CD1 4.22Å; F285-L288 HydrophobicContact CE2-CD1 4.3Å; F285-L288 PolarHBondContact O-N 2.96Å; M286-L288 PolarHBondContact O-N 3.25Å |
| 289 | Y | 85.4 | Confident | 79.4 | Confident | 68 Ų | 68 | 60.4 Ų | 60.4 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -101.1 | 6.6 | 178.2 | -68.4 | -88 | 0 | 0 | 0 | 112.7 | I243 T246 P247 F285 M286 S287 G291 F292 | I243-Y289 HydrophobicContact CG2-CE1 4.37Å; T246-Y289 HydrophobicContact CG2-CD1 4.44Å; P247-Y289 HydrophobicContact CG-CE1 4.34Å; P247-Y289 HydrophobicContact CG-CE2 4.33Å; F285-Y289 HydrophobicContact CE1-CD2 4.49Å; F285-Y289 AromaticContact CE1-CE2 3.79Å; F285-Y289 HydrophobicContact CE1-CE2 3.79Å; F285-Y289 AromaticContact CZ-CE2 3.97Å; F285-Y289 HydrophobicContact CZ-CE2 3.97Å; M286-Y289 PolarHBondContact O-N 2.86Å; S287-Y289 PolarHBondContact O-N 3.35Å; Y289-G291 PolarHBondContact O-N 2.59Å; Y289-F292 HydrophobicContact CD1-CD2 4.47Å; Y289-F292 VanDerWaalsContact O-CB 3.28Å; Y289-F292 WeakPolarHBondContact O-CB 3.47Å; Y289-F292 PolarHBondContact O-N 2.98Å |
| 290 | K | 79.5 | Confident | 79.2 | Confident | 30 Ų | 30 | 65 Ų | 65 | 13% | 0.13 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 125.3 | 170.9 | -70.1 | 176.6 | 175.4 | 171.5 | 0 | 109.1 | Q47 Q49 Y67 E283 S287 | Q47-K290 WeakPolarHBondContact CG-O 3.43Å; Q49-K290 PolarHBondContact O-NZ 3.5Å; Y67-K290 HydrophobicContact CE2-CD 4.37Å; Y67-K290 HydrophobicContact CE2-CG 3.96Å; E283-K290 IonicContact OE2-NZ 3.95Å; E283-K290 PolarHBondContact OE2-NZ 3.07Å; S287-K290 WeakPolarHBondContact O-CB 3.28Å; S287-K290 WeakPolarHBondContact O-CD 3.49Å; S287-K290 VanDerWaalsContact O-CG 3.22Å; S287-K290 WeakPolarHBondContact O-CG 3.38Å; S287-K290 PolarHBondContact O-N 3.24Å |
| 291 | G | 74.3 | Confident | 79.1 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 0.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y289 P294 S295 | Y289-G291 PolarHBondContact O-N 2.59Å; G291-P294 WeakPolarHBondContact O-CD 3.39Å; G291-S295 VanDerWaalsContact O-CB 3.31Å; G291-S295 WeakPolarHBondContact O-CB 3.5Å; G291-S295 PolarHBondContact O-N 3.42Å |
| 292 | F | 80.3 | Confident | 79.3 | Confident | 58 Ų | 58 | 59.9 Ų | 59.9 | 25% | 0.254 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -54.4 | -58.7 | 172.9 | -179.4 | -94.7 | 0 | 0 | 0 | 111.6 | T246 Y289 S295 W296 | T246-F292 HydrophobicContact CG2-CB 4.05Å; T246-F292 HydrophobicContact CG2-CD2 4.31Å; T246-F292 WeakPolarHBondContact OG1-CD2 3.29Å; Y289-F292 HydrophobicContact CD1-CD2 4.47Å; Y289-F292 VanDerWaalsContact O-CB 3.28Å; Y289-F292 WeakPolarHBondContact O-CB 3.47Å; Y289-F292 PolarHBondContact O-N 2.98Å; F292-S295 WeakPolarHBondContact O-CB 3.37Å; F292-S295 PolarHBondContact O-N 3.11Å; F292-W296 PolarHBondContact O-N 3.05Å |
| 293 | L | 76.3 | Confident | 79.4 | Confident | 114 Ų | 114 | 60.5 Ų | 60.5 | 60% | 0.597 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.9 | -47.3 | -178.6 | -176.9 | 77.5 | 0 | 0 | 0 | 112.3 | S295 W296 L297 | L293-S295 VanDerWaalsContact C-N 3.29Å; L293-S295 PolarHBondContact O-N 3.23Å; L293-W296 PolarHBondContact O-N 3.42Å; L293-L297 VanDerWaalsContact O-CB 3.29Å; L293-L297 WeakPolarHBondContact O-CB 2.96Å; L293-L297 PolarHBondContact O-N 3.49Å |
| 294 | P | 73.7 | Confident | 79.6 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 5% | 0.052 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57 | -37.8 | 171.2 | -25.7 | 29.8 | 0 | 0 | 0 | 114.3 | K43 L46 M70 G291 R298 | K43-P294 HydrophobicContact CB-CB 3.97Å; K43-P294 HydrophobicContact CG-CB 4.42Å; L46-P294 HydrophobicContact CD1-CB 4.42Å; L46-P294 HydrophobicContact CD1-CG 3.46Å; L46-P294 VanDerWaalsContact CD1-CG 3.46Å; M70-P294 HydrophobicContact CB-CG 4.28Å; M70-P294 HydrophobicContact CE-CB 4.16Å; M70-P294 HydrophobicContact CG-CG 4.15Å; M70-P294 HydrophobicContact SD-CB 3.82Å; M70-P294 HydrophobicContact SD-CG 3.8Å; G291-P294 WeakPolarHBondContact O-CD 3.39Å; P294-R298 VanDerWaalsContact O-CB 3.24Å; P294-R298 WeakPolarHBondContact O-CB 3.45Å; P294-R298 PolarHBondContact O-N 2.81Å |
| 295 | S | 72.6 | Confident | 79.8 | Confident | 18 Ų | 18 | 64 Ų | 64 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 178.4 | -165.2 | 0 | 0 | 0 | 0 | 110.9 | K43 G291 F292 L293 R298 M299 | K43-S295 PolarHBondContact NZ-OG 3.11Å; G291-S295 VanDerWaalsContact O-CB 3.31Å; G291-S295 WeakPolarHBondContact O-CB 3.5Å; G291-S295 PolarHBondContact O-N 3.42Å; F292-S295 WeakPolarHBondContact O-CB 3.37Å; F292-S295 PolarHBondContact O-N 3.11Å; L293-S295 VanDerWaalsContact C-N 3.29Å; L293-S295 PolarHBondContact O-N 3.23Å; S295-R298 PolarHBondContact O-N 3.02Å; S295-M299 WeakPolarHBondContact O-CG 3.4Å; S295-M299 PolarHBondContact O-N 3.19Å |
| 296 | W | 74 | Confident | 79.7 | Confident | 152 Ų | 152 | 59.7 Ų | 59.7 | 58% | 0.576 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67.6 | -45.9 | 178.3 | -162.7 | 66.2 | 0 | 0 | 0 | 111.8 | F292 L293 R298 M299 | F292-W296 PolarHBondContact O-N 3.05Å; L293-W296 PolarHBondContact O-N 3.42Å; W296-R298 PolarHBondContact O-N 3.36Å; W296-M299 PolarHBondContact O-N 2.66Å; W296-M299 VanDerWaalsContact O-N 3.09Å |
| 297 | L | 76.7 | Confident | 79.6 | Confident | 91 Ų | 91 | 59.3 Ų | 59.3 | 48% | 0.476 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.4 | -25.9 | 177.2 | -168.6 | 69.2 | 0 | 0 | 0 | 112.9 | M70 L293 P301 | M70-L297 HydrophobicContact CE-CD2 4.1Å; M70-L297 HydrophobicContact SD-CD2 3.94Å; L293-L297 VanDerWaalsContact O-CB 3.29Å; L293-L297 WeakPolarHBondContact O-CB 2.96Å; L293-L297 PolarHBondContact O-N 3.49Å; L297-P301 WeakPolarHBondContact O-CD 3.19Å; L297-P301 VanDerWaalsContact O-CG 3.28Å; L297-P301 WeakPolarHBondContact O-CG 3.17Å |
| 298 | R | 80 | Confident | 79.8 | Confident | 43 Ų | 43 | 64.1 Ų | 64.1 | 16% | 0.162 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -79.3 | -30.5 | 175.5 | -174.4 | -169.7 | 66 | 75.9 | 7.8 | 112.9 | L39 D40 P294 S295 W296 T300 P301 W302 | L39-R298 HydrophobicContact CB-CB 4.14Å; L39-R298 HydrophobicContact CB-CG 3.99Å; L39-R298 HydrophobicContact CD1-CB 4.35Å; L39-R298 HydrophobicContact CD1-CG 4.39Å; D40-R298 IonicContact OD1-NE 2.91Å; P294-R298 VanDerWaalsContact O-CB 3.24Å; P294-R298 WeakPolarHBondContact O-CB 3.45Å; P294-R298 PolarHBondContact O-N 2.81Å; S295-R298 PolarHBondContact O-N 3.02Å; W296-R298 PolarHBondContact O-N 3.36Å; R298-T300 PolarHBondContact O-N 2.9Å; R298-P301 WeakPolarHBondContact O-CD 3.13Å; R298-W302 VanDerWaalsContact O-CB 3.26Å; R298-W302 WeakPolarHBondContact O-CB 3.43Å; R298-W302 PolarHBondContact O-N 2.8Å; R298-W302 VanDerWaalsContact O-N 3.14Å |
| 299 | M | 76.1 | Confident | 79.7 | Confident | 89 Ų | 89 | 65.1 Ų | 65.1 | 44% | 0.438 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | -175.5 | -75.6 | 174.6 | 70.8 | 0 | 0 | 111.8 | S295 W296 W302 S303 | S295-M299 WeakPolarHBondContact O-CG 3.4Å; S295-M299 PolarHBondContact O-N 3.19Å; W296-M299 PolarHBondContact O-N 2.66Å; W296-M299 VanDerWaalsContact O-N 3.09Å; M299-W302 PolarHBondContact O-N 3.37Å; M299-S303 WeakPolarHBondContact O-CB 3.19Å; M299-S303 PolarHBondContact O-N 3.45Å; M299-S303 PolarHBondContact O-OG 2.99Å |
| 300 | T | 78.9 | Confident | 79.5 | Confident | 98 Ų | 98 | 63.8 Ų | 63.8 | 60% | 0.601 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.9 | -51.6 | -177.2 | -48.4 | 0 | 0 | 0 | 0 | 113 | R298 W302 S303 M304 | R298-T300 PolarHBondContact O-N 2.9Å; T300-W302 VanDerWaalsContact C-N 3.32Å; T300-W302 PolarHBondContact O-N 2.98Å; T300-S303 PolarHBondContact O-N 2.97Å; T300-M304 WeakPolarHBondContact O-CB 3.35Å; T300-M304 PolarHBondContact O-N 3.33Å |
| 301 | P | 83.3 | Confident | 79.5 | Confident | 42 Ų | 42 | 67.5 Ų | 67.5 | 27% | 0.273 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 177.2 | -22.5 | 34.7 | 0 | 0 | 0 | 112.9 | T36 L39 L297 R298 M304 V305 | T36-P301 HydrophobicContact CG2-CB 4.06Å; L39-P301 HydrophobicContact CD1-CG 4.43Å; L297-P301 WeakPolarHBondContact O-CD 3.19Å; L297-P301 VanDerWaalsContact O-CG 3.28Å; L297-P301 WeakPolarHBondContact O-CG 3.17Å; R298-P301 WeakPolarHBondContact O-CD 3.13Å; P301-M304 PolarHBondContact O-N 3.49Å; P301-V305 VanDerWaalsContact O-CG2 3.3Å; P301-V305 WeakPolarHBondContact O-CG2 3.3Å; P301-V305 PolarHBondContact O-N 3.17Å |
| 302 | W | 85.1 | Confident | 79.8 | Confident | 61 Ų | 61 | 72.5 Ų | 72.5 | 23% | 0.231 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.5 | -48.7 | 179.2 | -178.3 | 91 | 0 | 0 | 0 | 110.9 | A32 T36 R298 M299 T300 M304 V305 F306 | A32-W302 HydrophobicContact CB-CG 4.49Å; T36-W302 HydrophobicContact CG2-CB 4.02Å; R298-W302 VanDerWaalsContact O-CB 3.26Å; R298-W302 WeakPolarHBondContact O-CB 3.43Å; R298-W302 PolarHBondContact O-N 2.8Å; R298-W302 VanDerWaalsContact O-N 3.14Å; M299-W302 PolarHBondContact O-N 3.37Å; T300-W302 VanDerWaalsContact C-N 3.32Å; T300-W302 PolarHBondContact O-N 2.98Å; W302-M304 VanDerWaalsContact C-N 3.34Å; W302-M304 PolarHBondContact O-N 3.37Å; W302-V305 PolarHBondContact O-N 3.07Å; W302-F306 HydrophobicContact CH2-CD2 4.42Å; W302-F306 HydrophobicContact CH2-CG 4.36Å; W302-F306 HydrophobicContact CZ3-CB 4.5Å; W302-F306 VanDerWaalsContact O-CB 3.27Å; W302-F306 WeakPolarHBondContact O-CB 3.42Å; W302-F306 PolarHBondContact O-N 2.73Å |
| 303 | S | 78.6 | Confident | 79.8 | Confident | 46 Ų | 46 | 71.3 Ų | 71.3 | 32% | 0.322 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 178 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | M299 T300 F306 W307 | M299-S303 WeakPolarHBondContact O-CB 3.19Å; M299-S303 PolarHBondContact O-N 3.45Å; M299-S303 PolarHBondContact O-OG 2.99Å; T300-S303 PolarHBondContact O-N 2.97Å; S303-F306 PolarHBondContact O-N 2.76Å; S303-W307 PolarHBondContact O-N 2.96Å |
| 304 | M | 81.5 | Confident | 79.6 | Confident | 113 Ų | 113 | 67.4 Ų | 67.4 | 56% | 0.557 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.1 | -50.6 | 178.7 | -173.4 | -178.5 | 76 | 0 | 0 | 111.9 | T300 P301 W302 F306 W307 L308 | T300-M304 WeakPolarHBondContact O-CB 3.35Å; T300-M304 PolarHBondContact O-N 3.33Å; P301-M304 PolarHBondContact O-N 3.49Å; W302-M304 VanDerWaalsContact C-N 3.34Å; W302-M304 PolarHBondContact O-N 3.37Å; M304-F306 VanDerWaalsContact C-N 3.31Å; M304-F306 PolarHBondContact O-N 3.21Å; M304-W307 PolarHBondContact O-N 3.07Å; M304-L308 HydrophobicContact CG-CD1 3.91Å; M304-L308 WeakPolarHBondContact O-CB 3.29Å; M304-L308 VanDerWaalsContact O-CG 3.29Å; M304-L308 WeakPolarHBondContact O-CG 3.42Å; M304-L308 PolarHBondContact O-N 3.08Å |
| 305 | V | 85.3 | Confident | 79.9 | Confident | 33 Ų | 33 | 72.5 Ų | 72.5 | 20% | 0.2 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 179.1 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | V31 A32 A35 P301 W302 T309 | V31-V305 HydrophobicContact CG1-CG1 4.23Å; A32-V305 HydrophobicContact CB-CB 4.22Å; A32-V305 HydrophobicContact CB-CG1 4.07Å; A35-V305 HydrophobicContact CB-CG1 4.14Å; A35-V305 HydrophobicContact CB-CG2 4.35Å; P301-V305 VanDerWaalsContact O-CG2 3.3Å; P301-V305 WeakPolarHBondContact O-CG2 3.3Å; P301-V305 PolarHBondContact O-N 3.17Å; W302-V305 PolarHBondContact O-N 3.07Å; V305-T309 WeakPolarHBondContact O-CB 3.39Å; V305-T309 PolarHBondContact O-N 3.12Å; V305-T309 PolarHBondContact O-OG1 3.32Å |
| 306 | F | 84.3 | Confident | 80.1 | Confident | 31 Ų | 31 | 78 Ų | 78 | 14% | 0.136 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.1 | -54.1 | 177 | 173.9 | -96.8 | 0 | 0 | 0 | 111.7 | A28 A29 A32 W302 S303 M304 T309 Y310 | A28-F306 HydrophobicContact CB-CD2 4.04Å; A28-F306 HydrophobicContact CB-CE2 4Å; A29-F306 HydrophobicContact CB-CD2 4.24Å; A29-F306 HydrophobicContact CB-CE2 4.14Å; A32-F306 HydrophobicContact CB-CB 3.86Å; W302-F306 HydrophobicContact CH2-CD2 4.42Å; W302-F306 HydrophobicContact CH2-CG 4.36Å; W302-F306 HydrophobicContact CZ3-CB 4.5Å; W302-F306 VanDerWaalsContact O-CB 3.27Å; W302-F306 WeakPolarHBondContact O-CB 3.42Å; W302-F306 PolarHBondContact O-N 2.73Å; S303-F306 PolarHBondContact O-N 2.76Å; M304-F306 VanDerWaalsContact C-N 3.31Å; M304-F306 PolarHBondContact O-N 3.21Å; F306-T309 PolarHBondContact O-N 3.45Å; F306-Y310 WeakPolarHBondContact O-CB 3.38Å; F306-Y310 PolarHBondContact O-N 3.12Å |
| 307 | W | 81 | Confident | 80 | Confident | 142 Ų | 142 | 72.5 Ų | 72.5 | 54% | 0.538 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.5 | -45.9 | -176.5 | -74.6 | 117.1 | 0 | 0 | 0 | 112.3 | S303 M304 T309 Y310 E311 | S303-W307 PolarHBondContact O-N 2.96Å; M304-W307 PolarHBondContact O-N 3.07Å; W307-T309 VanDerWaalsContact C-N 3.31Å; W307-T309 PolarHBondContact O-N 3Å; W307-Y310 HydrophobicContact CE3-CD1 4.3Å; W307-Y310 HydrophobicContact CZ3-CD1 4.25Å; W307-Y310 PolarHBondContact O-N 3.5Å; W307-E311 WeakPolarHBondContact O-CB 3.47Å; W307-E311 WeakPolarHBondContact O-CG 3.34Å; W307-E311 PolarHBondContact O-N 3.14Å |
| 308 | L | 84.8 | Confident | 79.6 | Confident | 103 Ų | 103 | 71.6 Ų | 71.6 | 54% | 0.539 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 176.4 | -70.2 | 173.3 | 0 | 0 | 0 | 112 | M304 K312 | M304-L308 HydrophobicContact CG-CD1 3.91Å; M304-L308 WeakPolarHBondContact O-CB 3.29Å; M304-L308 VanDerWaalsContact O-CG 3.29Å; M304-L308 WeakPolarHBondContact O-CG 3.42Å; M304-L308 PolarHBondContact O-N 3.08Å; L308-K312 WeakPolarHBondContact O-CB 3.42Å; L308-K312 PolarHBondContact O-N 3.38Å |
| 309 | T | 82.6 | Confident | 79.1 | Confident | 27 Ų | 27 | 71.8 Ų | 71.8 | 17% | 0.166 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.1 | -43.2 | 177.7 | -53.7 | 0 | 0 | 0 | 0 | 110.6 | A28 V31 V305 F306 W307 E311 K312 I313 | A28-T309 HydrophobicContact CB-CG2 4.07Å; V31-T309 HydrophobicContact CB-CG2 4.01Å; V31-T309 HydrophobicContact CG1-CG2 4.12Å; V31-T309 HydrophobicContact CG2-CG2 4.17Å; V305-T309 WeakPolarHBondContact O-CB 3.39Å; V305-T309 PolarHBondContact O-N 3.12Å; V305-T309 PolarHBondContact O-OG1 3.32Å; F306-T309 PolarHBondContact O-N 3.45Å; W307-T309 VanDerWaalsContact C-N 3.31Å; W307-T309 PolarHBondContact O-N 3Å; T309-E311 PolarHBondContact O-N 3.41Å; T309-K312 PolarHBondContact O-N 3.39Å; T309-I313 HydrophobicContact CG2-CD1 3.58Å; T309-I313 HydrophobicContact CG2-CG1 4.08Å; T309-I313 WeakPolarHBondContact O-CG1 3.21Å; T309-I313 PolarHBondContact O-N 3.1Å |
| 310 | Y | 80.1 | Confident | 78 | Confident | 40 Ų | 40 | 71.5 Ų | 71.5 | 16% | 0.157 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 179.4 | -176.5 | -102.5 | 0 | 0 | 0 | 111.6 | L24 A28 F306 W307 I313 R314 | L24-Y310 HydrophobicContact CB-CE2 4.43Å; A28-Y310 HydrophobicContact CB-CD2 4.26Å; F306-Y310 WeakPolarHBondContact O-CB 3.38Å; F306-Y310 PolarHBondContact O-N 3.12Å; W307-Y310 HydrophobicContact CE3-CD1 4.3Å; W307-Y310 HydrophobicContact CZ3-CD1 4.25Å; W307-Y310 PolarHBondContact O-N 3.5Å; Y310-I313 PolarHBondContact O-N 3.3Å; Y310-R314 WeakPolarHBondContact O-CB 3.32Å; Y310-R314 PolarHBondContact O-N 3.19Å |
| 311 | E | 79.6 | Confident | 76.6 | Confident | 107 Ų | 107 | 71.8 Ų | 71.8 | 50% | 0.5 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 175.8 | -74.5 | 174.1 | -172.6 | 0 | 0 | 111.7 | W307 T309 I313 R314 E315 | W307-E311 WeakPolarHBondContact O-CB 3.47Å; W307-E311 WeakPolarHBondContact O-CG 3.34Å; W307-E311 PolarHBondContact O-N 3.14Å; T309-E311 PolarHBondContact O-N 3.41Å; E311-I313 PolarHBondContact O-N 2.7Å; E311-R314 WeakPolarHBondContact O-CB 3.39Å; E311-R314 PolarHBondContact O-N 3.11Å; E311-E315 WeakPolarHBondContact O-CB 3.46Å; E311-E315 PolarHBondContact O-N 2.72Å |
| 312 | K | 82.2 | Confident | 74.7 | Confident | 107 Ų | 107 | 80.9 Ų | 80.9 | 47% | 0.465 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | -179.8 | -163.2 | 71.7 | -163.8 | 161.2 | 0 | 112.6 | L308 T309 R314 E315 M316 | L308-K312 WeakPolarHBondContact O-CB 3.42Å; L308-K312 PolarHBondContact O-N 3.38Å; T309-K312 PolarHBondContact O-N 3.39Å; K312-R314 VanDerWaalsContact C-N 3.3Å; K312-R314 PolarHBondContact O-N 3.03Å; K312-E315 WeakPolarHBondContact CD-OE2 3.42Å; K312-E315 IonicContact NZ-OE1 3.44Å; K312-E315 PolarHBondContact NZ-OE1 3.39Å; K312-E315 IonicContact NZ-OE2 2.73Å; K312-E315 PolarHBondContact NZ-OE2 3.47Å; K312-E315 PolarHBondContact O-N 2.83Å; K312-M316 HydrophobicContact CG-CE 4.46Å; K312-M316 VanDerWaalsContact O-CG 3.32Å; K312-M316 WeakPolarHBondContact O-CG 3.47Å; K312-M316 PolarHBondContact O-N 3.02Å |
| 313 | I | 79.4 | Confident | 74.1 | Confident | 32 Ų | 32 | 81.9 Ų | 81.9 | 16% | 0.164 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67.7 | -35.1 | 176.6 | -56.5 | 171.2 | 0 | 0 | 0 | 110.3 | L24 C27 A28 T309 Y310 E311 M316 S317 | L24-I313 HydrophobicContact CD2-CB 4.2Å; L24-I313 HydrophobicContact CD2-CG2 3.16Å; L24-I313 HydrophobicContact CG-CG2 4.48Å; C27-I313 HydrophobicContact CB-CD1 3.91Å; A28-I313 HydrophobicContact CB-CD1 4.39Å; T309-I313 HydrophobicContact CG2-CD1 3.58Å; T309-I313 HydrophobicContact CG2-CG1 4.08Å; T309-I313 WeakPolarHBondContact O-CG1 3.21Å; T309-I313 PolarHBondContact O-N 3.1Å; Y310-I313 PolarHBondContact O-N 3.3Å; E311-I313 PolarHBondContact O-N 2.7Å; I313-M316 HydrophobicContact CB-CE 4.3Å; I313-M316 HydrophobicContact CG1-CE 4.05Å; I313-M316 PolarHBondContact O-N 2.88Å; I313-S317 WeakPolarHBondContact O-CB 3.48Å; I313-S317 PolarHBondContact O-N 3.46Å; I313-S317 PolarHBondContact O-OG 3.5Å |
| 314 | R | 72.8 | Confident | 73.9 | Confident | 32 Ų | 32 | 83.8 Ų | 83.8 | 12% | 0.121 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 175.4 | -170.7 | -179 | -179.5 | -166.1 | -4.4 | 112.2 | Y310 E311 K312 S317 G318 V319 S320 F322 | Y310-R314 WeakPolarHBondContact O-CB 3.32Å; Y310-R314 PolarHBondContact O-N 3.19Å; E311-R314 WeakPolarHBondContact O-CB 3.39Å; E311-R314 PolarHBondContact O-N 3.11Å; K312-R314 VanDerWaalsContact C-N 3.3Å; K312-R314 PolarHBondContact O-N 3.03Å; R314-S317 CarbonylContact O-C 3.54Å; R314-S317 PolarHBondContact O-N 3.21Å; R314-S317 VanDerWaalsContact O-N 3.11Å; R314-G318 PolarHBondContact O-N 2.92Å; R314-V319 HydrophobicContact CG-CB 3.6Å; R314-V319 HydrophobicContact CG-CG1 3.93Å; R314-V319 VanDerWaalsContact NE-CG1 3.28Å; R314-V319 PolarHBondContact O-N 3.47Å; R314-V319 VanDerWaalsContact O-N 3.14Å; R314-S320 PolarHBondContact NE-O 3.06Å; R314-S320 PolarHBondContact NH1-O 3.44Å; R314-S320 PolarHBondContact NH2-O 2.73Å; R314-F322 VanDerWaalsContact NH1-N 3.13Å |
| 315 | E | 78.6 | Confident | 73.5 | Confident | 115 Ų | 115 | 82.2 Ų | 82.2 | 54% | 0.537 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.2 | -48.4 | 174.6 | -171.4 | -167.9 | 167.7 | 0 | 0 | 111 | E311 K312 S317 G318 | E311-E315 WeakPolarHBondContact O-CB 3.46Å; E311-E315 PolarHBondContact O-N 2.72Å; K312-E315 WeakPolarHBondContact CD-OE2 3.42Å; K312-E315 IonicContact NZ-OE1 3.44Å; K312-E315 PolarHBondContact NZ-OE1 3.39Å; K312-E315 IonicContact NZ-OE2 2.73Å; K312-E315 PolarHBondContact NZ-OE2 3.47Å; K312-E315 PolarHBondContact O-N 2.83Å; E315-S317 PolarHBondContact O-N 2.92Å; E315-G318 PolarHBondContact O-N 3.49Å; E315-G318 VanDerWaalsContact O-N 3.1Å |
| 316 | M | 77.6 | Confident | 72.8 | Confident | 135 Ų | 135 | 85.1 Ų | 85.1 | 67% | 0.665 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62 | -24.8 | 175.8 | -70.9 | -173.2 | -62.5 | 0 | 0 | 113.3 | K312 I313 | K312-M316 HydrophobicContact CG-CE 4.46Å; K312-M316 VanDerWaalsContact O-CG 3.32Å; K312-M316 WeakPolarHBondContact O-CG 3.47Å; K312-M316 PolarHBondContact O-N 3.02Å; I313-M316 HydrophobicContact CB-CE 4.3Å; I313-M316 HydrophobicContact CG1-CE 4.05Å; I313-M316 PolarHBondContact O-N 2.88Å |
| 317 | S | 71.4 | Confident | 72.1 | Confident | 36 Ų | 36 | 88.4 Ų | 88.4 | 25% | 0.252 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 6.9 | -179.9 | -52.7 | 0 | 0 | 0 | 0 | 113.4 | L24 I313 R314 E315 V319 | L24-S317 WeakPolarHBondContact CD2-OG 3.21Å; I313-S317 WeakPolarHBondContact O-CB 3.48Å; I313-S317 PolarHBondContact O-N 3.46Å; I313-S317 PolarHBondContact O-OG 3.5Å; R314-S317 CarbonylContact O-C 3.54Å; R314-S317 PolarHBondContact O-N 3.21Å; R314-S317 VanDerWaalsContact O-N 3.11Å; E315-S317 PolarHBondContact O-N 2.92Å; S317-V319 VanDerWaalsContact C-N 3.29Å; S317-V319 PolarHBondContact O-N 2.86Å |
| 318 | G | 68.7 | Low | 71.5 | Confident | 72 Ų | 72 | 84.9 Ų | 84.9 | 74% | 0.742 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 18.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R314 E315 | R314-G318 PolarHBondContact O-N 2.92Å; E315-G318 PolarHBondContact O-N 3.49Å; E315-G318 VanDerWaalsContact O-N 3.1Å |
| 319 | V | 68.9 | Low | 70.5 | Confident | 47 Ų | 47 | 83.6 Ų | 83.6 | 29% | 0.285 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -96.5 | 130.5 | 176.9 | -175.3 | 0 | 0 | 0 | 0 | 107.9 | T13 R314 S317 | T13-V319 HydrophobicContact CG2-CG2 3.98Å; R314-V319 HydrophobicContact CG-CB 3.6Å; R314-V319 HydrophobicContact CG-CG1 3.93Å; R314-V319 VanDerWaalsContact NE-CG1 3.28Å; R314-V319 PolarHBondContact O-N 3.47Å; R314-V319 VanDerWaalsContact O-N 3.14Å; S317-V319 VanDerWaalsContact C-N 3.29Å; S317-V319 PolarHBondContact O-N 2.86Å |
| 320 | S | 52.6 | Low | 69.6 | Low | 82 Ų | 82 | 87.9 Ų | 87.9 | 57% | 0.573 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 144.4 | -178 | 60.1 | 0 | 0 | 0 | 0 | 111.9 | R314 | R314-S320 PolarHBondContact NE-O 3.06Å; R314-S320 PolarHBondContact NH1-O 3.44Å; R314-S320 PolarHBondContact NH2-O 2.73Å |
| 321 | P | 49.6 | Very low | 68.7 | Low | 105 Ų | 105 | 91.9 Ų | 91.9 | 68% | 0.682 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 158.6 | 170.2 | -20.5 | 31.8 | 0 | 0 | 0 | 111.6 | ||
| 322 | F | 43.4 | Very low | 67.7 | Low | 233 Ų | 233 | 90.5 Ų | 90.5 | 100% | 1.022 | 50% | 0.501 | S | S | * | . | trans | -79.8 | 0 | 171 | -119.5 | -63.9 | 0 | 0 | 0 | 109.5 | R314 | R314-F322 VanDerWaalsContact NH1-N 3.13Š|
Retrieved 322 of 322 residues in 106.2 ms
(Link to these results)