| 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 | 48 | Very low | 38.2 | Very low | 199 Ų | 199 | 141.5 Ų | 141.5 | 98% | 0.98 | 67% | 0.665 | S | S | * | * | 0 | -24.7 | 0 | -88.4 | -175.5 | -169.9 | 0 | 0 | 115.1 | D3 R5 | M1-D3 PolarHBondContact O-N 3.26Å; M1-R5 WeakPolarHBondContact O-CD 3.31Å; M1-R5 PolarHBondContact O-NE 3.39Å; M1-R5 PolarHBondContact O-NH1 3.09Å | |||
| 2 | L | 37.4 | Very low | 38.9 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 85% | 0.853 | 64% | 0.642 | S | S | * | * | trans | -79.9 | 13.8 | 144.5 | -88.1 | 147.4 | 0 | 0 | 0 | 111.5 | ||||
| 3 | D | 36.1 | Very low | 39.1 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 51% | 0.508 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -151.9 | 15.9 | -149.5 | -139.6 | -0.5 | 0 | 0 | 0 | 113.5 | M1 Y7 | M1-D3 PolarHBondContact O-N 3.26Å; D3-Y7 VanDerWaalsContact O-CB 3.3Å; D3-Y7 WeakPolarHBondContact O-CB 3.49Å; D3-Y7 VanDerWaalsContact O-CG 3.31Å |
| 4 | L | 34.2 | Very low | 40 | Very low | 127 Ų | 127 | 132 Ų | 132 | 67% | 0.665 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -72 | -4.9 | 139.3 | -128.1 | 156.4 | 0 | 0 | 0 | 108.9 | Y7 Y8 | L4-Y7 WeakPolarHBondContact O-CA 3.44Å; L4-Y8 WeakPolarHBondContact O-CB 3.48Å |
| 5 | R | 36.8 | Very low | 40.6 | Very low | 178 Ų | 178 | 125.7 Ų | 125.7 | 67% | 0.672 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -126.7 | -31.5 | -136.9 | -61.3 | 179.1 | 179.6 | 173.5 | -2.1 | 114.7 | M1 Y7 | M1-R5 WeakPolarHBondContact O-CD 3.31Å; M1-R5 PolarHBondContact O-NE 3.39Å; M1-R5 PolarHBondContact O-NH1 3.09Å; R5-Y7 PolarHBondContact O-N 3.39Å |
| 6 | H | 32.8 | Very low | 41 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 69% | 0.685 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -75.9 | 16.5 | 142.1 | -109.2 | -12.2 | 0 | 0 | 0 | 110.9 | G9 K12 | H6-G9 VanDerWaalsContact C-CA 3.49Å; H6-G9 WeakPolarHBondContact O-CA 3.21Å; H6-G9 PolarHBondContact O-N 3.19Å; H6-K12 WeakPolarHBondContact O-CE 3.21Å; H6-K12 PolarHBondContact O-NZ 3.32Å |
| 7 | Y | 39.2 | Very low | 41.2 | Very low | 152 Ų | 152 | 124.3 Ų | 124.3 | 60% | 0.596 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -80 | -50.5 | -151.9 | -175.9 | -30.7 | 0 | 0 | 0 | 120.2 | D3 L4 R5 K12 | D3-Y7 VanDerWaalsContact O-CB 3.3Å; D3-Y7 WeakPolarHBondContact O-CB 3.49Å; D3-Y7 VanDerWaalsContact O-CG 3.31Å; L4-Y7 WeakPolarHBondContact O-CA 3.44Å; R5-Y7 PolarHBondContact O-N 3.39Å; Y7-K12 VanDerWaalsContact CB-NZ 3.27Å; Y7-K12 WeakPolarHBondContact O-CE 3.49Å; Y7-K12 PolarHBondContact O-NZ 2.97Å |
| 8 | Y | 40.8 | Very low | 42 | Very low | 193 Ų | 193 | 118.1 Ų | 118.1 | 76% | 0.757 | 55% | 0.546 | S | S | * | . | S | Bend | cis | 78.1 | -60.5 | 24.4 | -125.7 | -76.6 | 0 | 0 | 0 | 115.7 | L4 R10 | L4-Y8 WeakPolarHBondContact O-CB 3.48Å; Y8-R10 PolarHBondContact O-N 3.22Å |
| 9 | G | 34.2 | Very low | 42.2 | Very low | 45 Ų | 45 | 120.3 Ų | 120.3 | 46% | 0.464 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -68.5 | 14.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | H6 | H6-G9 VanDerWaalsContact C-CA 3.49Å; H6-G9 WeakPolarHBondContact O-CA 3.21Å; H6-G9 PolarHBondContact O-N 3.19Å |
| 10 | R | 32.2 | Very low | 42.6 | Very low | 149 Ų | 149 | 122.9 Ų | 122.9 | 56% | 0.562 | 56% | 0.555 | S | S | * | * | trans | -159.3 | -60.5 | 168.9 | -107.5 | -177.7 | -174.7 | 174 | -2.2 | 106.3 | Y8 K12 L13 | Y8-R10 PolarHBondContact O-N 3.22Å; R10-K12 VanDerWaalsContact C-N 3.33Å; R10-K12 CarbonylContact C-O 3.58Å; R10-K12 VanDerWaalsContact CA-CG 3.44Å; R10-K12 WeakPolarHBondContact CA-O 3.38Å; R10-K12 VanDerWaalsContact CB-CA 3.43Å; R10-K12 HydrophobicContact CB-CB 3.26Å; R10-K12 HydrophobicContact CB-CD 3.67Å; R10-K12 HydrophobicContact CB-CG 3.14Å; R10-K12 WeakPolarHBondContact CB-O 3.42Å; R10-K12 VanDerWaalsContact CG-C 3.4Å; R10-K12 HydrophobicContact CG-CB 4.29Å; R10-K12 HydrophobicContact CG-CG 4.49Å; R10-K12 VanDerWaalsContact CG-O 3.25Å; R10-K12 WeakPolarHBondContact CG-O 3.35Å; R10-K12 CarbonylContact O-C 3.28Å; R10-K12 PolarHBondContact O-N 3.43Å; R10-L13 HydrophobicContact CG-CB 4.36Å; R10-L13 HydrophobicContact CG-CD1 3.85Å | ||
| 11 | N | 48.6 | Very low | 42.9 | Very low | 107 Ų | 107 | 117.3 Ų | 117.3 | 57% | 0.572 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 32.8 | 50.7 | -151.4 | -149.2 | 3.7 | 0 | 0 | 0 | 116.6 | Y14 | N11-Y14 HydrophobicContact CB-CD2 3.74Å; N11-Y14 HydrophobicContact CB-CE2 3.66Å; N11-Y14 WeakPolarHBondContact O-CD2 3.34Å; N11-Y14 WeakPolarHBondContact O-CE2 3.36Å |
| 12 | K | 46.7 | Very low | 42.7 | Very low | 89 Ų | 89 | 108.7 Ų | 108.7 | 39% | 0.387 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -85.9 | -105.2 | -32.6 | -74.3 | -153.1 | 144.1 | 155.5 | 0 | 110.2 | H6 Y7 R10 Y14 | H6-K12 WeakPolarHBondContact O-CE 3.21Å; H6-K12 PolarHBondContact O-NZ 3.32Å; Y7-K12 VanDerWaalsContact CB-NZ 3.27Å; Y7-K12 WeakPolarHBondContact O-CE 3.49Å; Y7-K12 PolarHBondContact O-NZ 2.97Å; R10-K12 VanDerWaalsContact C-N 3.33Å; R10-K12 CarbonylContact C-O 3.58Å; R10-K12 VanDerWaalsContact CA-CG 3.44Å; R10-K12 WeakPolarHBondContact CA-O 3.38Å; R10-K12 VanDerWaalsContact CB-CA 3.43Å; R10-K12 HydrophobicContact CB-CB 3.26Å; R10-K12 HydrophobicContact CB-CD 3.67Å; R10-K12 HydrophobicContact CB-CG 3.14Å; R10-K12 WeakPolarHBondContact CB-O 3.42Å; R10-K12 VanDerWaalsContact CG-C 3.4Å; R10-K12 HydrophobicContact CG-CB 4.29Å; R10-K12 HydrophobicContact CG-CG 4.49Å; R10-K12 VanDerWaalsContact CG-O 3.25Å; R10-K12 WeakPolarHBondContact CG-O 3.35Å; R10-K12 CarbonylContact O-C 3.28Å; R10-K12 PolarHBondContact O-N 3.43Å; K12-Y14 PolarHBondContact O-N 3.48Å |
| 13 | L | 40.7 | Very low | 43.3 | Very low | 75 Ų | 75 | 106.7 Ų | 106.7 | 39% | 0.393 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 55 | 166.7 | -138.7 | 98.2 | 0 | 0 | 0 | 110.7 | R10 F15 L16 R17 | R10-L13 HydrophobicContact CG-CB 4.36Å; R10-L13 HydrophobicContact CG-CD1 3.85Å; L13-F15 PolarHBondContact O-N 3.13Å; L13-L16 VanDerWaalsContact C-N 3.28Å; L13-L16 HydrophobicContact CB-CB 4.18Å; L13-L16 HydrophobicContact CB-CD1 4.44Å; L13-L16 HydrophobicContact CB-CD2 3.19Å; L13-L16 HydrophobicContact CB-CG 3.32Å; L13-L16 HydrophobicContact CD1-CD2 4.25Å; L13-L16 HydrophobicContact CD2-CD2 3.34Å; L13-L16 HydrophobicContact CD2-CG 4.39Å; L13-L16 HydrophobicContact CG-CD2 3.76Å; L13-L16 HydrophobicContact CG-CG 4.41Å; L13-L16 CarbonylContact O-C 2.56Å; L13-L16 WeakPolarHBondContact O-CA 3.39Å; L13-L16 PolarHBondContact O-N 3.12Å; L13-R17 PolarHBondContact O-N 3.39Å |
| 14 | Y | 51.7 | Low | 43.6 | Very low | 128 Ų | 128 | 105.6 Ų | 105.6 | 50% | 0.502 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -9.8 | 55.7 | -146.4 | -150.4 | -91.4 | 0 | 0 | 0 | 120.4 | N11 K12 | N11-Y14 HydrophobicContact CB-CD2 3.74Å; N11-Y14 HydrophobicContact CB-CE2 3.66Å; N11-Y14 WeakPolarHBondContact O-CD2 3.34Å; N11-Y14 WeakPolarHBondContact O-CE2 3.36Å; K12-Y14 PolarHBondContact O-N 3.48Å |
| 15 | F | 49.3 | Very low | 44.4 | Very low | 37 Ų | 37 | 101 Ų | 101 | 16% | 0.162 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | -148.7 | 52.1 | 59 | -81.4 | -96.1 | 0 | 0 | 0 | 105.4 | L13 L18 F123 | L13-F15 PolarHBondContact O-N 3.13Å; F15-L18 HydrophobicContact CB-CB 4.25Å; F15-L18 HydrophobicContact CB-CD1 3.13Å; F15-L18 HydrophobicContact CB-CG 4.26Å; F15-L18 HydrophobicContact CD1-CD1 3.88Å; F15-L18 HydrophobicContact CD2-CB 4.46Å; F15-L18 HydrophobicContact CD2-CD1 3.18Å; F15-L18 HydrophobicContact CD2-CG 4.32Å; F15-L18 HydrophobicContact CE1-CD1 4.42Å; F15-L18 HydrophobicContact CE2-CD1 3.74Å; F15-L18 HydrophobicContact CG-CD1 3.16Å; F15-L18 HydrophobicContact CZ-CD1 4.32Å; F15-F123 HydrophobicContact CB-CD1 4.4Å; F15-F123 HydrophobicContact CB-CE1 3.8Å; F15-F123 HydrophobicContact CB-CZ 4.07Å; F15-F123 HydrophobicContact CD1-CB 4.3Å; F15-F123 AromaticContact CD1-CD1 2.97Å; F15-F123 HydrophobicContact CD1-CD1 2.97Å; F15-F123 HydrophobicContact CD1-CD2 4.4Å; F15-F123 AromaticContact CD1-CE1 3.22Å; F15-F123 HydrophobicContact CD1-CE1 3.22Å; F15-F123 AromaticContact CD1-CG 3.63Å; F15-F123 HydrophobicContact CD1-CG 3.63Å; F15-F123 HydrophobicContact CD1-CZ 4.11Å; F15-F123 HydrophobicContact CE1-CB 3.49Å; F15-F123 VanDerWaalsContact CE1-CB 3.49Å; F15-F123 AromaticContact CE1-CD1 3.05Å; F15-F123 HydrophobicContact CE1-CD1 3.05Å; F15-F123 HydrophobicContact CE1-CD2 4.3Å; F15-F123 AromaticContact CE1-CE1 3.84Å; F15-F123 HydrophobicContact CE1-CE1 3.84Å; F15-F123 AromaticContact CE1-CG 3.33Å; F15-F123 HydrophobicContact CE1-CG 3.33Å; F15-F123 AromaticContact CG-CD1 3.92Å; F15-F123 HydrophobicContact CG-CD1 3.92Å; F15-F123 AromaticContact CG-CE1 3.84Å; F15-F123 HydrophobicContact CG-CE1 3.84Å; F15-F123 HydrophobicContact CG-CG 4.4Å; F15-F123 HydrophobicContact CG-CZ 4.34Å; F15-F123 HydrophobicContact CZ-CB 3.74Å; F15-F123 HydrophobicContact CZ-CD1 4.01Å; F15-F123 AromaticContact CZ-CG 3.84Å; F15-F123 HydrophobicContact CZ-CG 3.84Å | |
| 16 | L | 46.8 | Very low | 44.9 | Very low | 106 Ų | 106 | 96.4 Ų | 96.4 | 56% | 0.555 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | 51.4 | 61.3 | -146.6 | -81.3 | 151.6 | 0 | 0 | 0 | 111.9 | L13 R19 R20 | L13-L16 VanDerWaalsContact C-N 3.28Å; L13-L16 HydrophobicContact CB-CB 4.18Å; L13-L16 HydrophobicContact CB-CD1 4.44Å; L13-L16 HydrophobicContact CB-CD2 3.19Å; L13-L16 HydrophobicContact CB-CG 3.32Å; L13-L16 HydrophobicContact CD1-CD2 4.25Å; L13-L16 HydrophobicContact CD2-CD2 3.34Å; L13-L16 HydrophobicContact CD2-CG 4.39Å; L13-L16 HydrophobicContact CG-CD2 3.76Å; L13-L16 HydrophobicContact CG-CG 4.41Å; L13-L16 CarbonylContact O-C 2.56Å; L13-L16 WeakPolarHBondContact O-CA 3.39Å; L13-L16 PolarHBondContact O-N 3.12Å; L16-R19 VanDerWaalsContact O-CA 3.25Å; L16-R19 WeakPolarHBondContact O-CA 3.42Å; L16-R19 PolarHBondContact O-N 3.46Å; L16-R19 VanDerWaalsContact O-N 3.1Å; L16-R20 PolarHBondContact O-N 3.21Å |
| 17 | R | 45.7 | Very low | 45.6 | Very low | 122 Ų | 122 | 95.5 Ų | 95.5 | 46% | 0.46 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | 60.8 | 45.2 | 176.8 | -80.2 | -174.4 | -175.5 | 179 | 3.4 | 113.2 | L13 R19 R20 F21 H87 | L13-R17 PolarHBondContact O-N 3.39Å; R17-R19 CarbonylContact O-C 3.5Å; R17-R19 PolarHBondContact O-N 3.08Å; R17-R19 VanDerWaalsContact O-N 3.08Å; R17-R20 WeakPolarHBondContact O-CA 3.42Å; R17-R20 PolarHBondContact O-N 3.34Å; R17-F21 PolarHBondContact O-N 2.8Å; R17-H87 VanDerWaalsContact CB-CE1 3.47Å; R17-H87 WeakPolarHBondContact CB-CE1 3.47Å |
| 18 | L | 54 | Low | 46 | Very low | 12 Ų | 12 | 92.1 Ų | 92.1 | 6% | 0.063 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | 19.9 | 64.6 | -157.5 | -156.1 | 69.7 | 0 | 0 | 0 | 112.6 | F15 C22 I86 L120 F123 | F15-L18 HydrophobicContact CB-CB 4.25Å; F15-L18 HydrophobicContact CB-CD1 3.13Å; F15-L18 HydrophobicContact CB-CG 4.26Å; F15-L18 HydrophobicContact CD1-CD1 3.88Å; F15-L18 HydrophobicContact CD2-CB 4.46Å; F15-L18 HydrophobicContact CD2-CD1 3.18Å; F15-L18 HydrophobicContact CD2-CG 4.32Å; F15-L18 HydrophobicContact CE1-CD1 4.42Å; F15-L18 HydrophobicContact CE2-CD1 3.74Å; F15-L18 HydrophobicContact CG-CD1 3.16Å; F15-L18 HydrophobicContact CZ-CD1 4.32Å; L18-C22 PolarHBondContact O-N 3.26Å; L18-I86 HydrophobicContact CB-CG2 4.41Å; L18-L120 HydrophobicContact CD2-CD2 3.63Å; L18-F123 HydrophobicContact CD1-CD1 4.25Å; L18-F123 HydrophobicContact CD1-CD2 3.42Å; L18-F123 VanDerWaalsContact CD1-CD2 3.42Å; L18-F123 HydrophobicContact CD1-CE1 3.89Å; L18-F123 HydrophobicContact CD1-CE2 3.04Å; L18-F123 HydrophobicContact CD1-CG 4.04Å; L18-F123 HydrophobicContact CD1-CZ 3.29Å; L18-F123 HydrophobicContact CD2-CE2 4.37Å; L18-F123 HydrophobicContact CG-CD2 4.34Å; L18-F123 HydrophobicContact CG-CE2 3.8Å; L18-F123 HydrophobicContact CG-CZ 4.25Å |
| 19 | R | 47.1 | Very low | 46.2 | Very low | 160 Ų | 160 | 89 Ų | 89 | 60% | 0.604 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | 54.6 | 59.8 | -175.5 | -135.8 | 169.2 | -178.7 | 163.3 | -0.9 | 113.8 | L16 R17 F21 C22 Q23 V119 | L16-R19 VanDerWaalsContact O-CA 3.25Å; L16-R19 WeakPolarHBondContact O-CA 3.42Å; L16-R19 PolarHBondContact O-N 3.46Å; L16-R19 VanDerWaalsContact O-N 3.1Å; R17-R19 CarbonylContact O-C 3.5Å; R17-R19 PolarHBondContact O-N 3.08Å; R17-R19 VanDerWaalsContact O-N 3.08Å; R19-F21 VanDerWaalsContact C-N 3.27Å; R19-F21 PolarHBondContact O-N 2.88Å; R19-C22 CarbonylContact O-C 3.33Å; R19-C22 VanDerWaalsContact O-C 3.24Å; R19-C22 WeakPolarHBondContact O-CA 3.46Å; R19-C22 PolarHBondContact O-N 3.08Å; R19-Q23 PolarHBondContact O-N 2.82Å; R19-V119 HydrophobicContact CB-CG1 4.26Å |
| 20 | R | 49.7 | Very low | 46.7 | Very low | 173 Ų | 173 | 94.5 Ų | 94.5 | 65% | 0.653 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | 50.7 | 42.7 | -176.4 | -80.6 | -180 | 169.8 | 171.6 | -4 | 113 | L16 R17 Q23 F24 | L16-R20 PolarHBondContact O-N 3.21Å; R17-R20 WeakPolarHBondContact O-CA 3.42Å; R17-R20 PolarHBondContact O-N 3.34Å; R20-Q23 HydrophobicContact CB-CG 3.92Å; R20-Q23 CarbonylContact O-C 3.47Å; R20-Q23 WeakPolarHBondContact O-CA 3.34Å; R20-Q23 PolarHBondContact O-N 3.28Å; R20-F24 PolarHBondContact O-N 3.45Å |
| 21 | F | 48.4 | Very low | 47 | Very low | 6 Ų | 6 | 95.2 Ų | 95.2 | 3% | 0.026 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | 60.6 | 43.1 | -169.4 | -170.3 | -124 | 0 | 0 | 0 | 114.3 | R17 R19 Q23 I25 L82 A83 I86 | R17-F21 PolarHBondContact O-N 2.8Å; R19-F21 VanDerWaalsContact C-N 3.27Å; R19-F21 PolarHBondContact O-N 2.88Å; F21-Q23 PolarHBondContact O-N 2.95Å; F21-I25 HydrophobicContact CD1-CD1 4.25Å; F21-I25 HydrophobicContact CD1-CG1 3.88Å; F21-I25 HydrophobicContact CE1-CD1 3.31Å; F21-I25 HydrophobicContact CE1-CG1 3.44Å; F21-I25 VanDerWaalsContact CE1-CG1 3.44Å; F21-I25 HydrophobicContact CZ-CD1 3.66Å; F21-I25 HydrophobicContact CZ-CG1 4.08Å; F21-I25 PolarHBondContact O-N 3Å; F21-L82 HydrophobicContact CE2-CB 4.45Å; F21-L82 HydrophobicContact CE2-CD2 3.91Å; F21-L82 HydrophobicContact CE2-CG 3.68Å; F21-L82 HydrophobicContact CZ-CB 3.98Å; F21-L82 HydrophobicContact CZ-CD2 3.66Å; F21-L82 HydrophobicContact CZ-CG 3.6Å; F21-A83 HydrophobicContact CB-CB 4.39Å; F21-A83 HydrophobicContact CD1-CB 3.27Å; F21-A83 HydrophobicContact CE1-CB 3.54Å; F21-A83 HydrophobicContact CG-CB 3.84Å; F21-A83 HydrophobicContact CZ-CB 4.36Å; F21-I86 HydrophobicContact CD2-CB 4.39Å; F21-I86 HydrophobicContact CD2-CD1 3.17Å; F21-I86 HydrophobicContact CD2-CG1 4.36Å; F21-I86 HydrophobicContact CE2-CD1 3.11Å; F21-I86 HydrophobicContact CG-CD1 4.41Å; F21-I86 HydrophobicContact CZ-CD1 4.3Å |
| 22 | C | 43.7 | Very low | 46.9 | Very low | 17 Ų | 17 | 93.6 Ų | 93.6 | 12% | 0.115 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | 67.7 | 16.4 | -164.8 | -56.7 | 0 | 0 | 0 | 0 | 115.4 | L18 R19 F116 | L18-C22 PolarHBondContact O-N 3.26Å; R19-C22 CarbonylContact O-C 3.33Å; R19-C22 VanDerWaalsContact O-C 3.24Å; R19-C22 WeakPolarHBondContact O-CA 3.46Å; R19-C22 PolarHBondContact O-N 3.08Å; C22-F116 HydrophobicContact CB-CD2 4.39Å; C22-F116 WeakPolarHBondContact SG-CD2 3.08Å |
| 23 | Q | 50.5 | Low | 47 | Very low | 122 Ų | 122 | 92.7 Ų | 92.7 | 57% | 0.57 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | 71.6 | 57.9 | -169.7 | -73 | -179.3 | -17.9 | 0 | 0 | 112.7 | R19 R20 F21 L26 | R19-Q23 PolarHBondContact O-N 2.82Å; R20-Q23 HydrophobicContact CB-CG 3.92Å; R20-Q23 CarbonylContact O-C 3.47Å; R20-Q23 WeakPolarHBondContact O-CA 3.34Å; R20-Q23 PolarHBondContact O-N 3.28Å; F21-Q23 PolarHBondContact O-N 2.95Å; Q23-L26 PolarHBondContact O-N 3.15Å |
| 24 | F | 43.4 | Very low | 47.1 | Very low | 72 Ų | 72 | 99.5 Ų | 99.5 | 32% | 0.316 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | 80.5 | 8.8 | 172.2 | -159.8 | -111.2 | 0 | 0 | 0 | 116.8 | R20 L28 F33 | R20-F24 PolarHBondContact O-N 3.45Å; F24-L28 HydrophobicContact CD1-CD1 3.82Å; F24-L28 HydrophobicContact CE1-CB 4.03Å; F24-L28 HydrophobicContact CE1-CD1 3.19Å; F24-L28 HydrophobicContact CE1-CG 4.09Å; F24-L28 HydrophobicContact CZ-CD1 3.67Å; F24-F33 HydrophobicContact CZ-CB 4.48Å; F24-F33 HydrophobicContact CZ-CD1 4.02Å; F24-F33 HydrophobicContact CZ-CG 4.36Å |
| 25 | I | 50.9 | Low | 46.8 | Very low | 30 Ų | 30 | 100.4 Ų | 100.4 | 15% | 0.154 | 48% | 0.484 | C | S | . | . | S | Bend | trans | 56.4 | 62.4 | -155.8 | -64.4 | -176.7 | 0 | 0 | 0 | 108 | F21 N27 F104 | F21-I25 HydrophobicContact CD1-CD1 4.25Å; F21-I25 HydrophobicContact CD1-CG1 3.88Å; F21-I25 HydrophobicContact CE1-CD1 3.31Å; F21-I25 HydrophobicContact CE1-CG1 3.44Å; F21-I25 VanDerWaalsContact CE1-CG1 3.44Å; F21-I25 HydrophobicContact CZ-CD1 3.66Å; F21-I25 HydrophobicContact CZ-CG1 4.08Å; F21-I25 PolarHBondContact O-N 3Å; I25-N27 VanDerWaalsContact C-N 3.3Å; I25-N27 PolarHBondContact O-N 3.01Å; I25-F104 HydrophobicContact CD1-CE1 4.24Å; I25-F104 HydrophobicContact CD1-CE2 4.38Å; I25-F104 HydrophobicContact CD1-CZ 3.77Å; I25-F104 HydrophobicContact CG1-CE1 4.46Å; I25-F104 HydrophobicContact CG1-CZ 3.91Å; I25-F104 HydrophobicContact CG2-CE1 3.75Å; I25-F104 HydrophobicContact CG2-CZ 4.03Å |
| 26 | L | 46.8 | Very low | 46.9 | Very low | 81 Ų | 81 | 102.5 Ų | 102.5 | 42% | 0.424 | 50% | 0.497 | S | S | . | . | S | Bend | trans | 63.6 | 19 | 154.2 | -59 | 163.8 | 0 | 0 | 0 | 117.7 | Q23 G112 T115 | Q23-L26 PolarHBondContact O-N 3.15Å; L26-G112 VanDerWaalsContact CD1-CA 3.42Å; L26-T115 HydrophobicContact CD2-CG2 4.11Å |
| 27 | N | 46.2 | Very low | 47.3 | Very low | 129 Ų | 129 | 103.8 Ų | 103.8 | 69% | 0.69 | 50% | 0.495 | S | S | * | . | trans | 72.2 | 87.3 | -174.5 | -58.1 | -42 | 0 | 0 | 0 | 113.5 | I25 D29 | I25-N27 VanDerWaalsContact C-N 3.3Å; I25-N27 PolarHBondContact O-N 3.01Å; N27-D29 PolarHBondContact O-N 3.39Å | ||
| 28 | L | 48.1 | Very low | 47.8 | Very low | 82 Ų | 82 | 98.8 Ų | 98.8 | 43% | 0.429 | 48% | 0.477 | S | S | . | . | trans | -37.5 | 95.9 | 163.6 | -81.9 | 141.7 | 0 | 0 | 0 | 111 | F24 K30 | F24-L28 HydrophobicContact CD1-CD1 3.82Å; F24-L28 HydrophobicContact CE1-CB 4.03Å; F24-L28 HydrophobicContact CE1-CD1 3.19Å; F24-L28 HydrophobicContact CE1-CG 4.09Å; F24-L28 HydrophobicContact CZ-CD1 3.67Å; L28-K30 PolarHBondContact O-N 2.69Å | ||
| 29 | D | 45.5 | Very low | 48.1 | Very low | 128 Ų | 128 | 98.6 Ų | 98.6 | 68% | 0.684 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -47.7 | 107.6 | -163.5 | -160.7 | 23.7 | 0 | 0 | 0 | 113.3 | N27 | N27-D29 PolarHBondContact O-N 3.39Š|
| 30 | K | 45 | Very low | 48.9 | Very low | 159 Ų | 159 | 98.9 Ų | 98.9 | 69% | 0.691 | 48% | 0.484 | S | S | * | . | S | Bend | trans | 82.2 | 121 | 163.6 | -58.5 | 148.2 | -177.2 | 144 | 0 | 119.1 | L28 | L28-K30 PolarHBondContact O-N 2.69Š|
| 31 | D | 37.8 | Very low | 49.5 | Very low | 165 Ų | 165 | 94 Ų | 94 | 88% | 0.882 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 57.1 | 125.1 | 158.3 | -59.4 | -32.4 | 0 | 0 | 0 | 122.5 | ||
| 32 | G | 47.9 | Very low | 50.1 | Low | 72 Ų | 72 | 93.7 Ų | 93.7 | 74% | 0.742 | 47% | 0.467 | S | S | * | . | trans | 112.4 | 10 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | Y34 | G32-Y34 PolarHBondContact O-N 3.1Š| ||
| 33 | F | 47.9 | Very low | 51 | Low | 71 Ų | 71 | 99.5 Ų | 99.5 | 31% | 0.311 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 45.6 | -161.6 | -126.3 | -86.7 | 0 | 0 | 0 | 117.2 | F24 | F24-F33 HydrophobicContact CZ-CB 4.48Å; F24-F33 HydrophobicContact CZ-CD1 4.02Å; F24-F33 HydrophobicContact CZ-CG 4.36Å |
| 34 | Y | 43.1 | Very low | 51.7 | Low | 218 Ų | 218 | 96 Ų | 96 | 86% | 0.855 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -16.3 | 169.6 | -83.3 | -79.6 | 0 | 0 | 0 | 114.9 | G32 | G32-Y34 PolarHBondContact O-N 3.1Š|
| 35 | D | 45.2 | Very low | 52.7 | Low | 146 Ų | 146 | 93.3 Ų | 93.3 | 78% | 0.781 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -88.3 | -8.2 | -168.4 | -77.1 | -12.1 | 0 | 0 | 0 | 116.2 | ||
| 36 | N | 50.6 | Low | 53.3 | Low | 82 Ų | 82 | 92.6 Ų | 92.6 | 44% | 0.439 | 46% | 0.462 | S | S | . | . | trans | -163.6 | 93 | 173.8 | -86.5 | -51.6 | 0 | 0 | 0 | 111.4 | L38 | N36-L38 CarbonylContact C-O 3.6Å; N36-L38 WeakPolarHBondContact CB-O 3.44Å; N36-L38 CarbonylContact O-C 3.42Å; N36-L38 VanDerWaalsContact O-C 3.28Å; N36-L38 PolarHBondContact O-N 3.15Å | ||
| 37 | W | 55.4 | Low | 54 | Low | 133 Ų | 133 | 92 Ų | 92 | 50% | 0.504 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -60 | -31.9 | -176.1 | -129 | 40.7 | 0 | 0 | 0 | 113.5 | H87 | W37-H87 AromaticContact CH2-CD2 3.58Å; W37-H87 HydrophobicContact CZ3-CB 4.39Å |
| 38 | L | 56.5 | Low | 54.6 | Low | 17 Ų | 17 | 89.3 Ų | 89.3 | 9% | 0.089 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -90.7 | 124.4 | 156.1 | -102 | 79.5 | 0 | 0 | 0 | 107.4 | N36 L46 H84 | N36-L38 CarbonylContact C-O 3.6Å; N36-L38 WeakPolarHBondContact CB-O 3.44Å; N36-L38 CarbonylContact O-C 3.42Å; N36-L38 VanDerWaalsContact O-C 3.28Å; N36-L38 PolarHBondContact O-N 3.15Å; L38-L46 HydrophobicContact CD2-CD1 3.39Å; L38-L46 HydrophobicContact CD2-CG 4.32Å; L38-H84 HydrophobicContact CD1-CB 3.59Å; L38-H84 VanDerWaalsContact CD1-ND1 3.26Å; L38-H84 WeakPolarHBondContact CD1-ND1 3.31Å |
| 39 | G | 59.6 | Low | 55.2 | Low | 7 Ų | 7 | 86.8 Ų | 86.8 | 7% | 0.072 | 44% | 0.438 | C | S | . | . | trans | -48.5 | 147.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E41 S42 Y43 | G39-E41 PolarHBondContact O-N 3.26Å; G39-S42 WeakPolarHBondContact O-CA 3.46Å; G39-S42 WeakPolarHBondContact O-CB 3.45Å; G39-S42 PolarHBondContact O-N 3.25Å; G39-Y43 PolarHBondContact O-N 3.22Å | ||
| 40 | K | 63.8 | Low | 55.6 | Low | 167 Ų | 167 | 87.7 Ų | 87.7 | 73% | 0.726 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -49.5 | -36.5 | -177.2 | -73.4 | -175 | 179.1 | -179.6 | 0 | 112 | S44 | K40-S44 WeakPolarHBondContact O-CB 3.36Å; K40-S44 PolarHBondContact O-N 3.25Å |
| 41 | E | 63.1 | Low | 56.2 | Low | 70 Ų | 70 | 86.2 Ų | 86.2 | 33% | 0.327 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.4 | -45.9 | 176.7 | -176.1 | 164.3 | -154.1 | 0 | 0 | 113 | G39 Y43 S44 T45 F69 K74 E77 | G39-E41 PolarHBondContact O-N 3.26Å; E41-Y43 PolarHBondContact O-N 3.01Å; E41-S44 PolarHBondContact O-N 3.11Å; E41-T45 VanDerWaalsContact O-CB 3.27Å; E41-T45 WeakPolarHBondContact O-CB 3.25Å; E41-T45 PolarHBondContact O-N 2.92Å; E41-T45 PolarHBondContact O-OG1 3.42Å; E41-F69 HydrophobicContact CG-CE1 4.08Å; E41-K74 VanDerWaalsContact CD-NZ 3.29Å; E41-K74 IonicContact OE1-NZ 2.69Å; E41-K74 PolarHBondContact OE1-NZ 3.3Å; E41-K74 IonicContact OE2-NZ 2.67Å; E41-K74 PolarHBondContact OE2-NZ 3Å; E41-E77 HydrophobicContact CB-CG 4.46Å |
| 42 | S | 60.2 | Low | 57.4 | Low | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -55.9 | -48.1 | 171.7 | -66.9 | 0 | 0 | 0 | 0 | 112.2 | G39 T45 L46 E77 | G39-S42 WeakPolarHBondContact O-CA 3.46Å; G39-S42 WeakPolarHBondContact O-CB 3.45Å; G39-S42 PolarHBondContact O-N 3.25Å; S42-T45 PolarHBondContact O-N 3.36Å; S42-L46 PolarHBondContact O-N 3.05Å; S42-L46 VanDerWaalsContact O-N 3.1Å; S42-E77 PolarHBondContact OG-OE2 3.37Å |
| 43 | Y | 64.1 | Low | 57.8 | Low | 139 Ų | 139 | 83.2 Ų | 83.2 | 55% | 0.545 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.2 | -46.9 | -180 | -178.6 | -93.6 | 0 | 0 | 0 | 111.7 | G39 E41 L46 N47 | G39-Y43 PolarHBondContact O-N 3.22Å; E41-Y43 PolarHBondContact O-N 3.01Å; Y43-L46 PolarHBondContact O-N 3.17Å; Y43-N47 WeakPolarHBondContact CD2-ND2 3.48Å; Y43-N47 VanDerWaalsContact CE1-ND2 3.3Å; Y43-N47 WeakPolarHBondContact CE1-ND2 3.47Å; Y43-N47 WeakPolarHBondContact CE2-ND2 3.3Å; Y43-N47 WeakPolarHBondContact O-CB 3.4Å; Y43-N47 PolarHBondContact O-N 3.29Å; Y43-N47 PolarHBondContact O-ND2 3.22Å |
| 44 | S | 65.2 | Low | 58.5 | Low | 49 Ų | 49 | 86.3 Ų | 86.3 | 34% | 0.343 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 176.7 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | K40 E41 L46 N47 T48 | K40-S44 WeakPolarHBondContact O-CB 3.36Å; K40-S44 PolarHBondContact O-N 3.25Å; E41-S44 PolarHBondContact O-N 3.11Å; S44-L46 VanDerWaalsContact C-N 3.33Å; S44-L46 PolarHBondContact O-N 3.47Å; S44-N47 PolarHBondContact O-N 3.07Å; S44-T48 WeakPolarHBondContact O-CA 3.42Å; S44-T48 WeakPolarHBondContact O-CB 3.26Å; S44-T48 PolarHBondContact O-N 2.86Å; S44-T48 PolarHBondContact O-OG1 3.45Å; S44-T48 PolarHBondContact OG-OG1 3.12Å |
| 45 | T | 64.1 | Low | 59.6 | Low | 15 Ų | 15 | 78.6 Ų | 78.6 | 9% | 0.092 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.8 | -43 | -177.8 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | E41 S42 N47 A49 F52 A65 Y68 F69 | E41-T45 VanDerWaalsContact O-CB 3.27Å; E41-T45 WeakPolarHBondContact O-CB 3.25Å; E41-T45 PolarHBondContact O-N 2.92Å; E41-T45 PolarHBondContact O-OG1 3.42Å; S42-T45 PolarHBondContact O-N 3.36Å; T45-N47 VanDerWaalsContact C-N 3.31Å; T45-N47 PolarHBondContact O-N 3.42Å; T45-A49 WeakPolarHBondContact O-CB 3.47Å; T45-F52 HydrophobicContact CG2-CD2 4.33Å; T45-F52 HydrophobicContact CG2-CE2 3.76Å; T45-F52 WeakPolarHBondContact O-CD2 3.4Å; T45-A65 HydrophobicContact CG2-CB 4.47Å; T45-Y68 HydrophobicContact CG2-CD1 3.9Å; T45-Y68 HydrophobicContact CG2-CE1 4.02Å; T45-F69 HydrophobicContact CG2-CZ 4.07Å |
| 46 | L | 64 | Low | 60.7 | Low | 15 Ų | 15 | 80.9 Ų | 80.9 | 8% | 0.079 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67 | -28.9 | 178 | -74.9 | -177.9 | 0 | 0 | 0 | 114.2 | L38 S42 Y43 S44 R61 V62 A65 L81 | L38-L46 HydrophobicContact CD2-CD1 3.39Å; L38-L46 HydrophobicContact CD2-CG 4.32Å; S42-L46 PolarHBondContact O-N 3.05Å; S42-L46 VanDerWaalsContact O-N 3.1Å; Y43-L46 PolarHBondContact O-N 3.17Å; S44-L46 VanDerWaalsContact C-N 3.33Å; S44-L46 PolarHBondContact O-N 3.47Å; L46-R61 HydrophobicContact CD2-CB 4.43Å; L46-V62 HydrophobicContact CD2-CG2 4.34Å; L46-A65 HydrophobicContact CD2-CB 3.55Å; L46-A65 HydrophobicContact CG-CB 4.4Å; L46-L81 HydrophobicContact CD1-CD1 3.92Å; L46-L81 HydrophobicContact CG-CD1 4.49Å |
| 47 | N | 61.4 | Low | 62.1 | Low | 67 Ų | 67 | 79.9 Ų | 79.9 | 36% | 0.358 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -103.8 | -28.2 | -173.1 | -71.5 | -37 | 0 | 0 | 0 | 114 | Y43 S44 T45 R53 | Y43-N47 WeakPolarHBondContact CD2-ND2 3.48Å; Y43-N47 VanDerWaalsContact CE1-ND2 3.3Å; Y43-N47 WeakPolarHBondContact CE1-ND2 3.47Å; Y43-N47 WeakPolarHBondContact CE2-ND2 3.3Å; Y43-N47 WeakPolarHBondContact O-CB 3.4Å; Y43-N47 PolarHBondContact O-N 3.29Å; Y43-N47 PolarHBondContact O-ND2 3.22Å; S44-N47 PolarHBondContact O-N 3.07Å; T45-N47 VanDerWaalsContact C-N 3.31Å; T45-N47 PolarHBondContact O-N 3.42Å; N47-R53 PolarHBondContact O-NE 2.77Å; N47-R53 VanDerWaalsContact O-NE 3.12Å |
| 48 | T | 59.1 | Low | 63.2 | Low | 74 Ų | 74 | 78.5 Ų | 78.5 | 45% | 0.454 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -106.4 | -26.6 | -169.2 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | S44 E50 R53 | S44-T48 WeakPolarHBondContact O-CA 3.42Å; S44-T48 WeakPolarHBondContact O-CB 3.26Å; S44-T48 PolarHBondContact O-N 2.86Å; S44-T48 PolarHBondContact O-OG1 3.45Å; S44-T48 PolarHBondContact OG-OG1 3.12Å; T48-E50 PolarHBondContact O-N 3.22Å; T48-R53 PolarHBondContact O-NH2 3.41Å |
| 49 | A | 59.5 | Low | 64.3 | Low | 28 Ų | 28 | 81.3 Ų | 81.3 | 23% | 0.231 | 40% | 0.401 | C | S | . | . | trans | -66.1 | 111.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | T45 D51 F52 R53 | T45-A49 WeakPolarHBondContact O-CB 3.47Å; A49-D51 PolarHBondContact O-N 3.31Å; A49-D51 VanDerWaalsContact O-N 3.14Å; A49-F52 HydrophobicContact CB-CD2 3.51Å; A49-F52 HydrophobicContact CB-CE2 3.89Å; A49-F52 HydrophobicContact CB-CG 4.27Å; A49-F52 PolarHBondContact O-N 3.15Å; A49-R53 PolarHBondContact O-N 3.28Å | ||
| 50 | E | 55.3 | Low | 65.4 | Low | 148 Ų | 148 | 82.4 Ų | 82.4 | 69% | 0.692 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -51.3 | -37.1 | 179.3 | -67.6 | -176.5 | 160.4 | 0 | 0 | 111.3 | T48 F52 R53 | T48-E50 PolarHBondContact O-N 3.22Å; E50-F52 VanDerWaalsContact C-N 3.33Å; E50-F52 PolarHBondContact O-N 2.72Å; E50-R53 PolarHBondContact O-N 3.16Å |
| 51 | D | 57.4 | Low | 66.2 | Low | 127 Ų | 127 | 77.4 Ų | 77.4 | 68% | 0.679 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61 | -34 | 178.9 | -61.1 | -27.2 | 0 | 0 | 0 | 113.9 | A49 | A49-D51 PolarHBondContact O-N 3.31Å; A49-D51 VanDerWaalsContact O-N 3.14Å |
| 52 | F | 62.5 | Low | 67.2 | Low | 27 Ų | 27 | 74.1 Ų | 74.1 | 12% | 0.118 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -86 | -22.1 | 178.8 | -59.5 | -39.7 | 0 | 0 | 0 | 112.5 | T45 A49 E50 L54 L55 R61 C64 A65 | T45-F52 HydrophobicContact CG2-CD2 4.33Å; T45-F52 HydrophobicContact CG2-CE2 3.76Å; T45-F52 WeakPolarHBondContact O-CD2 3.4Å; A49-F52 HydrophobicContact CB-CD2 3.51Å; A49-F52 HydrophobicContact CB-CE2 3.89Å; A49-F52 HydrophobicContact CB-CG 4.27Å; A49-F52 PolarHBondContact O-N 3.15Å; E50-F52 VanDerWaalsContact C-N 3.33Å; E50-F52 PolarHBondContact O-N 2.72Å; F52-L54 PolarHBondContact O-N 3.15Å; F52-L55 HydrophobicContact CD1-CD1 4.1Å; F52-L55 WeakPolarHBondContact O-CB 3.4Å; F52-L55 PolarHBondContact O-N 3.11Å; F52-R61 HydrophobicContact CB-CG 4.19Å; F52-R61 VanDerWaalsContact O-CD 3.23Å; F52-R61 WeakPolarHBondContact O-CD 3.47Å; F52-R61 VanDerWaalsContact O-CG 3.27Å; F52-R61 WeakPolarHBondContact O-CG 3.43Å; F52-C64 HydrophobicContact CD1-CB 3.68Å; F52-C64 HydrophobicContact CE1-CB 3.26Å; F52-C64 HydrophobicContact CZ-CB 4.08Å; F52-A65 HydrophobicContact CE2-CB 4.43Å |
| 53 | R | 56.3 | Low | 68.5 | Low | 148 Ų | 148 | 77.2 Ų | 77.2 | 56% | 0.558 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -66 | -25.8 | 177.3 | -60.4 | -173.2 | -158.9 | 159.4 | 14.8 | 112.3 | N47 T48 A49 E50 L55 | N47-R53 PolarHBondContact O-NE 2.77Å; N47-R53 VanDerWaalsContact O-NE 3.12Å; T48-R53 PolarHBondContact O-NH2 3.41Å; A49-R53 PolarHBondContact O-N 3.28Å; E50-R53 PolarHBondContact O-N 3.16Å; R53-L55 PolarHBondContact O-N 3.46Å |
| 54 | L | 63.4 | Low | 69.4 | Low | 136 Ų | 136 | 72.5 Ų | 72.5 | 71% | 0.712 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -16.7 | 174.1 | -65 | 171.8 | 0 | 0 | 0 | 113.1 | F52 H56 | F52-L54 PolarHBondContact O-N 3.15Å; L54-H56 PolarHBondContact O-N 2.91Å |
| 55 | L | 65.9 | Low | 70.4 | Confident | 56 Ų | 56 | 70.2 Ų | 70.2 | 29% | 0.293 | 36% | 0.357 | S | S | . | . | trans | -85 | 108.2 | 177.8 | -61.9 | 172.2 | 0 | 0 | 0 | 110.4 | F52 R53 S57 A60 R61 C64 | F52-L55 HydrophobicContact CD1-CD1 4.1Å; F52-L55 WeakPolarHBondContact O-CB 3.4Å; F52-L55 PolarHBondContact O-N 3.11Å; R53-L55 PolarHBondContact O-N 3.46Å; L55-S57 PolarHBondContact O-N 3.07Å; L55-S57 VanDerWaalsContact O-N 3.13Å; L55-A60 HydrophobicContact CB-CB 4.34Å; L55-A60 HydrophobicContact CD1-CB 4.22Å; L55-A60 HydrophobicContact CD2-CB 4.5Å; L55-R61 HydrophobicContact CB-CG 3.82Å; L55-R61 HydrophobicContact CD1-CG 4.35Å; L55-C64 HydrophobicContact CD1-CB 4.29Å | ||
| 56 | H | 67.8 | Low | 71.6 | Confident | 193 Ų | 193 | 69.6 Ų | 69.6 | 89% | 0.894 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -63.6 | -18.1 | 178.5 | -60.6 | -55.8 | 0 | 0 | 0 | 114.3 | L54 | L54-H56 PolarHBondContact O-N 2.91Š|
| 57 | S | 80.4 | Confident | 72.8 | Confident | 62 Ų | 62 | 75.8 Ų | 75.8 | 43% | 0.434 | 38% | 0.376 | S | S | . | . | trans | -99.4 | 120.9 | 179.5 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | L55 K59 A60 R61 | L55-S57 PolarHBondContact O-N 3.07Å; L55-S57 VanDerWaalsContact O-N 3.13Å; S57-K59 PolarHBondContact O-N 3.21Å; S57-K59 PolarHBondContact OG-N 2.9Å; S57-A60 WeakPolarHBondContact O-CB 3.24Å; S57-A60 PolarHBondContact O-N 3.4Å; S57-R61 PolarHBondContact O-N 3.45Å | ||
| 58 | E | 77 | Confident | 74 | Confident | 103 Ų | 103 | 75.1 Ų | 75.1 | 48% | 0.481 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -54.4 | -37.5 | 170.6 | -75.7 | 177.9 | 176.1 | 0 | 0 | 112.4 | A60 R61 V62 Y89 | E58-A60 PolarHBondContact O-N 2.9Å; E58-R61 WeakPolarHBondContact O-CB 3.42Å; E58-R61 PolarHBondContact O-N 3.03Å; E58-R61 IonicContact OE1-NH2 3.69Å; E58-V62 WeakPolarHBondContact O-CG2 3.49Å; E58-V62 PolarHBondContact O-N 3.23Å; E58-Y89 HydrophobicContact CB-CD1 4.36Å; E58-Y89 HydrophobicContact CB-CE1 3.61Å; E58-Y89 HydrophobicContact CG-CE1 4.44Å; E58-Y89 WeakPolarHBondContact OE2-CE1 3.33Å |
| 59 | K | 81.3 | Confident | 75.4 | Confident | 76 Ų | 76 | 71.6 Ų | 71.6 | 33% | 0.33 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 175.5 | -176.1 | 172 | 178.6 | 173 | 0 | 112 | S57 V62 I63 P90 M91 | S57-K59 PolarHBondContact O-N 3.21Å; S57-K59 PolarHBondContact OG-N 2.9Å; K59-V62 PolarHBondContact O-N 3.43Å; K59-I63 HydrophobicContact CG-CD1 4.04Å; K59-I63 VanDerWaalsContact O-CG1 3.29Å; K59-I63 WeakPolarHBondContact O-CG1 3.37Å; K59-I63 PolarHBondContact O-N 3.08Å; K59-P90 PolarHBondContact NZ-O 2.99Å; K59-M91 HydrophobicContact CD-SD 4.12Å; K59-M91 HydrophobicContact CG-CE 4.05Å; K59-M91 HydrophobicContact CG-SD 3.77Å |
| 60 | A | 80.9 | Confident | 76.9 | Confident | 31 Ų | 31 | 71.7 Ų | 71.7 | 26% | 0.256 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L55 S57 E58 V62 I63 C64 | L55-A60 HydrophobicContact CB-CB 4.34Å; L55-A60 HydrophobicContact CD1-CB 4.22Å; L55-A60 HydrophobicContact CD2-CB 4.5Å; S57-A60 WeakPolarHBondContact O-CB 3.24Å; S57-A60 PolarHBondContact O-N 3.4Å; E58-A60 PolarHBondContact O-N 2.9Å; A60-V62 VanDerWaalsContact C-N 3.3Å; A60-V62 PolarHBondContact O-N 3.02Å; A60-I63 PolarHBondContact O-N 3.36Å; A60-C64 PolarHBondContact O-N 2.99Å; A60-C64 PolarHBondContact O-SG 3.05Å |
| 61 | R | 81.4 | Confident | 78.5 | Confident | 62 Ų | 62 | 65.8 Ų | 65.8 | 23% | 0.234 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54.9 | -45.9 | 175 | -70.7 | -168.7 | -86 | 163.9 | -7.7 | 112 | L46 F52 L55 S57 E58 C64 A65 | L46-R61 HydrophobicContact CD2-CB 4.43Å; F52-R61 HydrophobicContact CB-CG 4.19Å; F52-R61 VanDerWaalsContact O-CD 3.23Å; F52-R61 WeakPolarHBondContact O-CD 3.47Å; F52-R61 VanDerWaalsContact O-CG 3.27Å; F52-R61 WeakPolarHBondContact O-CG 3.43Å; L55-R61 HydrophobicContact CB-CG 3.82Å; L55-R61 HydrophobicContact CD1-CG 4.35Å; S57-R61 PolarHBondContact O-N 3.45Å; E58-R61 WeakPolarHBondContact O-CB 3.42Å; E58-R61 PolarHBondContact O-N 3.03Å; E58-R61 IonicContact OE1-NH2 3.69Å; R61-C64 PolarHBondContact O-N 3.46Å; R61-A65 VanDerWaalsContact O-CB 3.3Å; R61-A65 WeakPolarHBondContact O-CB 3.42Å; R61-A65 PolarHBondContact O-N 2.99Å |
| 62 | V | 84.8 | Confident | 80 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 177.7 | 169.7 | 0 | 0 | 0 | 0 | 112.7 | L46 E58 K59 A60 A65 M66 L81 S85 Y89 M91 W95 | L46-V62 HydrophobicContact CD2-CG2 4.34Å; E58-V62 WeakPolarHBondContact O-CG2 3.49Å; E58-V62 PolarHBondContact O-N 3.23Å; K59-V62 PolarHBondContact O-N 3.43Å; A60-V62 VanDerWaalsContact C-N 3.3Å; A60-V62 PolarHBondContact O-N 3.02Å; V62-A65 PolarHBondContact O-N 2.69Å; V62-M66 WeakPolarHBondContact O-CB 3.29Å; V62-M66 PolarHBondContact O-N 3Å; V62-L81 HydrophobicContact CG1-CD1 4.27Å; V62-L81 HydrophobicContact CG1-CG 4.34Å; V62-S85 WeakPolarHBondContact CG1-OG 3.4Å; V62-Y89 HydrophobicContact CG2-CD2 3.92Å; V62-Y89 HydrophobicContact CG2-CE2 3.45Å; V62-Y89 VanDerWaalsContact CG2-CE2 3.45Å; V62-M91 HydrophobicContact CB-CE 3.82Å; V62-M91 HydrophobicContact CG1-CE 3.31Å; V62-W95 HydrophobicContact CG1-CH2 4.32Å |
| 63 | I | 85.9 | Confident | 81.2 | Confident | 64 Ų | 64 | 67.7 Ų | 67.7 | 33% | 0.328 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 178.3 | -69.9 | 166.8 | 0 | 0 | 0 | 110.5 | K59 A60 M66 W67 M91 W95 | K59-I63 HydrophobicContact CG-CD1 4.04Å; K59-I63 VanDerWaalsContact O-CG1 3.29Å; K59-I63 WeakPolarHBondContact O-CG1 3.37Å; K59-I63 PolarHBondContact O-N 3.08Å; A60-I63 PolarHBondContact O-N 3.36Å; I63-M66 WeakPolarHBondContact O-CB 3.25Å; I63-M66 PolarHBondContact O-N 3.33Å; I63-W67 PolarHBondContact O-N 2.94Å; I63-M91 HydrophobicContact CG1-CE 4.42Å; I63-W95 HydrophobicContact CG1-CZ2 4.12Å |
| 64 | C | 83.9 | Confident | 82.7 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 28% | 0.277 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.6 | -40.6 | 178.8 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | F52 L55 A60 R61 M66 W67 Y68 | F52-C64 HydrophobicContact CD1-CB 3.68Å; F52-C64 HydrophobicContact CE1-CB 3.26Å; F52-C64 HydrophobicContact CZ-CB 4.08Å; L55-C64 HydrophobicContact CD1-CB 4.29Å; A60-C64 PolarHBondContact O-N 2.99Å; A60-C64 PolarHBondContact O-SG 3.05Å; R61-C64 PolarHBondContact O-N 3.46Å; C64-M66 VanDerWaalsContact C-N 3.32Å; C64-M66 PolarHBondContact O-N 2.96Å; C64-W67 PolarHBondContact O-N 3.48Å; C64-Y68 WeakPolarHBondContact O-CB 3.33Å; C64-Y68 PolarHBondContact O-N 3.34Å |
| 65 | A | 86.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.7 | -37.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | T45 L46 F52 R61 V62 Y68 F69 L81 | T45-A65 HydrophobicContact CG2-CB 4.47Å; L46-A65 HydrophobicContact CD2-CB 3.55Å; L46-A65 HydrophobicContact CG-CB 4.4Å; F52-A65 HydrophobicContact CE2-CB 4.43Å; R61-A65 VanDerWaalsContact O-CB 3.3Å; R61-A65 WeakPolarHBondContact O-CB 3.42Å; R61-A65 PolarHBondContact O-N 2.99Å; V62-A65 PolarHBondContact O-N 2.69Å; A65-Y68 PolarHBondContact O-N 3.49Å; A65-F69 HydrophobicContact CB-CE2 4.42Å; A65-F69 WeakPolarHBondContact O-CD2 3.36Å; A65-F69 WeakPolarHBondContact O-CG 3.48Å; A65-F69 PolarHBondContact O-N 3.32Å; A65-L81 HydrophobicContact CB-CD2 3.8Å |
| 66 | M | 90.1 | Very high | 84.8 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.9 | -49.5 | 172.9 | -175.1 | 61.7 | 68.1 | 0 | 0 | 110.9 | V62 I63 C64 Y68 F69 L70 A78 L81 L82 W95 V99 | V62-M66 WeakPolarHBondContact O-CB 3.29Å; V62-M66 PolarHBondContact O-N 3Å; I63-M66 WeakPolarHBondContact O-CB 3.25Å; I63-M66 PolarHBondContact O-N 3.33Å; C64-M66 VanDerWaalsContact C-N 3.32Å; C64-M66 PolarHBondContact O-N 2.96Å; M66-Y68 VanDerWaalsContact C-N 3.32Å; M66-Y68 PolarHBondContact O-N 3.44Å; M66-F69 PolarHBondContact O-N 2.88Å; M66-L70 HydrophobicContact CG-CD1 4.18Å; M66-L70 HydrophobicContact CG-CG 4.4Å; M66-L70 WeakPolarHBondContact O-CG 3.16Å; M66-L70 PolarHBondContact O-N 3.06Å; M66-L70 HydrophobicContact SD-CG 4.36Å; M66-A78 WeakPolarHBondContact CE-O 3.5Å; M66-A78 HydrophobicContact SD-CB 3.72Å; M66-L81 HydrophobicContact CB-CD2 4.1Å; M66-L81 HydrophobicContact CE-CB 3.98Å; M66-L81 HydrophobicContact CE-CD2 3.99Å; M66-L81 HydrophobicContact CE-CG 3.91Å; M66-L82 HydrophobicContact CE-CB 3.66Å; M66-L82 HydrophobicContact CE-CD1 4.33Å; M66-W95 HydrophobicContact CB-CH2 4.42Å; M66-W95 HydrophobicContact CB-CZ2 3.85Å; M66-W95 HydrophobicContact CE-CH2 3.84Å; M66-W95 HydrophobicContact CE-CZ2 4.26Å; M66-W95 HydrophobicContact CG-CH2 4.31Å; M66-W95 HydrophobicContact CG-CZ2 3.79Å; M66-V99 HydrophobicContact CE-CG1 4Å; M66-V99 HydrophobicContact CG-CG1 3.82Å; M66-V99 HydrophobicContact CG-CG2 4.33Å; M66-V99 HydrophobicContact SD-CG1 3.55Å; M66-V99 VanDerWaalsContact SD-CG1 3.55Å |
| 67 | W | 87.4 | Confident | 85.5 | Confident | 146 Ų | 146 | 54.2 Ų | 54.2 | 55% | 0.553 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -59.4 | -43.5 | 177.4 | 177.7 | 76.7 | 0 | 0 | 0 | 111.7 | I63 C64 F69 L70 S71 S521 | I63-W67 PolarHBondContact O-N 2.94Å; C64-W67 PolarHBondContact O-N 3.48Å; W67-F69 VanDerWaalsContact C-N 3.35Å; W67-F69 PolarHBondContact O-N 3.41Å; W67-L70 PolarHBondContact O-N 3.41Å; W67-S71 WeakPolarHBondContact O-CB 3.42Å; W67-S71 PolarHBondContact O-N 3.17Å; W67-S71 PolarHBondContact O-OG 3.12Å; W67-S71 VanDerWaalsContact O-OG 3.09Å; W67-S521 WeakPolarHBondContact CZ2-OXT 3.3Å; W67-S521 PolarHBondContact NE1-OXT 3.06Å |
| 68 | Y | 86.7 | Confident | 85.9 | Confident | 53 Ų | 53 | 51.2 Ų | 51.2 | 21% | 0.208 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.2 | -42.1 | 174 | 172 | -97 | 0 | 0 | 0 | 113.1 | T45 C64 A65 M66 S71 R72 | T45-Y68 HydrophobicContact CG2-CD1 3.9Å; T45-Y68 HydrophobicContact CG2-CE1 4.02Å; C64-Y68 WeakPolarHBondContact O-CB 3.33Å; C64-Y68 PolarHBondContact O-N 3.34Å; A65-Y68 PolarHBondContact O-N 3.49Å; M66-Y68 VanDerWaalsContact C-N 3.32Å; M66-Y68 PolarHBondContact O-N 3.44Å; Y68-S71 PolarHBondContact O-OG 3.18Å; Y68-S71 VanDerWaalsContact O-OG 3.13Å; Y68-R72 HydrophobicContact CE2-CG 4.49Å; Y68-R72 VanDerWaalsContact CE2-NE 3.32Å; Y68-R72 PolarHBondContact O-N 2.88Å; Y68-R72 PolarHBondContact OH-NH1 2.99Å |
| 69 | F | 88.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.5 | -39.1 | 177.3 | -69.7 | -47 | 0 | 0 | 0 | 113 | E41 T45 A65 M66 W67 H73 K74 E77 A78 L81 | E41-F69 HydrophobicContact CG-CE1 4.08Å; T45-F69 HydrophobicContact CG2-CZ 4.07Å; A65-F69 HydrophobicContact CB-CE2 4.42Å; A65-F69 WeakPolarHBondContact O-CD2 3.36Å; A65-F69 WeakPolarHBondContact O-CG 3.48Å; A65-F69 PolarHBondContact O-N 3.32Å; M66-F69 PolarHBondContact O-N 2.88Å; W67-F69 VanDerWaalsContact C-N 3.35Å; W67-F69 PolarHBondContact O-N 3.41Å; F69-H73 PolarHBondContact O-N 3.01Å; F69-K74 HydrophobicContact CB-CB 4.3Å; F69-K74 HydrophobicContact CD1-CB 3.98Å; F69-K74 HydrophobicContact CD1-CD 4.2Å; F69-K74 PolarHBondContact O-N 2.86Å; F69-E77 HydrophobicContact CD1-CB 3.88Å; F69-E77 HydrophobicContact CD2-CB 4.33Å; F69-E77 HydrophobicContact CE1-CB 4.08Å; F69-E77 HydrophobicContact CE2-CB 4.5Å; F69-E77 HydrophobicContact CG-CB 4.06Å; F69-E77 HydrophobicContact CZ-CB 4.41Å; F69-A78 HydrophobicContact CB-CB 3.87Å; F69-L81 HydrophobicContact CD2-CB 4.5Å; F69-L81 HydrophobicContact CD2-CD2 3.86Å; F69-L81 HydrophobicContact CE2-CD2 3.99Å |
| 70 | L | 90.7 | Very high | 86.4 | Confident | 29 Ų | 29 | 45.9 Ų | 45.9 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.2 | -42.8 | 176.8 | -66.7 | -177.2 | 0 | 0 | 0 | 111.7 | M66 W67 R72 H73 F75 A78 V99 I103 | M66-L70 HydrophobicContact CG-CD1 4.18Å; M66-L70 HydrophobicContact CG-CG 4.4Å; M66-L70 WeakPolarHBondContact O-CG 3.16Å; M66-L70 PolarHBondContact O-N 3.06Å; M66-L70 HydrophobicContact SD-CG 4.36Å; W67-L70 PolarHBondContact O-N 3.41Å; L70-R72 VanDerWaalsContact C-N 3.28Å; L70-R72 PolarHBondContact O-N 3.42Å; L70-H73 PolarHBondContact O-N 3.16Å; L70-H73 VanDerWaalsContact O-N 3.09Å; L70-F75 HydrophobicContact CD2-CD1 3.94Å; L70-F75 HydrophobicContact CD2-CE1 4.17Å; L70-A78 HydrophobicContact CD2-CB 3.73Å; L70-A78 HydrophobicContact CG-CB 4.41Å; L70-V99 HydrophobicContact CD1-CG1 4.41Å; L70-I103 HydrophobicContact CD2-CD1 4.41Å; L70-I103 HydrophobicContact CD2-CG1 3.83Å |
| 71 | S | 88.9 | Confident | 86.6 | Confident | 25 Ų | 25 | 44.4 Ų | 44.4 | 18% | 0.175 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.1 | -26.6 | -178.5 | 65.8 | 0 | 0 | 0 | 0 | 113.4 | W67 Y68 H73 | W67-S71 WeakPolarHBondContact O-CB 3.42Å; W67-S71 PolarHBondContact O-N 3.17Å; W67-S71 PolarHBondContact O-OG 3.12Å; W67-S71 VanDerWaalsContact O-OG 3.09Å; Y68-S71 PolarHBondContact O-OG 3.18Å; Y68-S71 VanDerWaalsContact O-OG 3.13Å; S71-H73 PolarHBondContact O-CD2 3.1Å |
| 72 | R | 88.9 | Confident | 86.9 | Confident | 127 Ų | 127 | 41.4 Ų | 41.4 | 48% | 0.479 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 11.2 | 172.7 | -66.6 | -167.7 | 171 | -162.4 | -5.3 | 114.3 | Y68 L70 K74 D519 | Y68-R72 HydrophobicContact CE2-CG 4.49Å; Y68-R72 VanDerWaalsContact CE2-NE 3.32Å; Y68-R72 PolarHBondContact O-N 2.88Å; Y68-R72 PolarHBondContact OH-NH1 2.99Å; L70-R72 VanDerWaalsContact C-N 3.28Å; L70-R72 PolarHBondContact O-N 3.42Å; R72-K74 HydrophobicContact CB-CG 4.22Å; R72-K74 PolarHBondContact O-N 2.94Å; R72-D519 WeakPolarHBondContact CA-OD1 3.49Å |
| 73 | H | 89.5 | Confident | 86.8 | Confident | 67 Ų | 67 | 42.3 Ų | 42.3 | 31% | 0.31 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 28.2 | 176.3 | -63.5 | -106.5 | 0 | 0 | 0 | 114.1 | F69 L70 S71 F75 T518 D519 | F69-H73 PolarHBondContact O-N 3.01Å; L70-H73 PolarHBondContact O-N 3.16Å; L70-H73 VanDerWaalsContact O-N 3.09Å; S71-H73 PolarHBondContact O-CD2 3.1Å; H73-F75 HydrophobicContact CB-CD2 4.36Å; H73-F75 HydrophobicContact CB-CE2 3.6Å; H73-F75 HydrophobicContact CB-CZ 3.8Å; H73-F75 AromaticContact CG-CE2 3.91Å; H73-F75 AromaticContact CG-CZ 3.7Å; H73-F75 AromaticContact ND1-CE2 3.53Å; H73-F75 AromaticContact ND1-CZ 3.2Å; H73-F75 WeakPolarHBondContact ND1-CZ 3.34Å; H73-F75 WeakPolarHBondContact O-CD2 3.44Å; H73-F75 PolarHBondContact O-N 3.17Å; H73-T518 HydrophobicContact CB-CG2 3.53Å; H73-T518 WeakPolarHBondContact CD2-CB 3.48Å; H73-T518 WeakPolarHBondContact ND1-CG2 3.34Å; H73-T518 VanDerWaalsContact NE2-CA 3.28Å; H73-T518 WeakPolarHBondContact NE2-CA 3.29Å; H73-D519 PolarHBondContact CD2-N 3.12Å; H73-D519 IonicContact CD2-OD1 2.74Å; H73-D519 PolarHBondContact CD2-OD1 3.35Å; H73-D519 IonicContact CG-OD1 3.19Å; H73-D519 PolarHBondContact NE2-N 2.8Å; H73-D519 VanDerWaalsContact NE2-N 3.15Å; H73-D519 IonicContact NE2-OD1 3.39Å |
| 74 | K | 87.4 | Confident | 86.5 | Confident | 65 Ų | 65 | 41.1 Ų | 41.1 | 28% | 0.283 | 19% | 0.187 | S | C | . | . | trans | -85.8 | 56.4 | 174.6 | -61.8 | -168.6 | 175.5 | -170.4 | 0 | 110.3 | E41 F69 R72 K76 E77 A78 | E41-K74 VanDerWaalsContact CD-NZ 3.29Å; E41-K74 IonicContact OE1-NZ 2.69Å; E41-K74 PolarHBondContact OE1-NZ 3.3Å; E41-K74 IonicContact OE2-NZ 2.67Å; E41-K74 PolarHBondContact OE2-NZ 3Å; F69-K74 HydrophobicContact CB-CB 4.3Å; F69-K74 HydrophobicContact CD1-CB 3.98Å; F69-K74 HydrophobicContact CD1-CD 4.2Å; F69-K74 PolarHBondContact O-N 2.86Å; R72-K74 HydrophobicContact CB-CG 4.22Å; R72-K74 PolarHBondContact O-N 2.94Å; K74-K76 PolarHBondContact O-N 2.82Å; K74-K76 VanDerWaalsContact O-N 3.17Å; K74-E77 HydrophobicContact CB-CB 4.24Å; K74-E77 HydrophobicContact CB-CG 4.49Å; K74-E77 PolarHBondContact O-N 2.9Å; K74-A78 PolarHBondContact O-N 2.83Å | ||
| 75 | F | 87.3 | Confident | 86.4 | Confident | 24 Ų | 24 | 39.2 Ų | 39.2 | 11% | 0.105 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.1 | -29.8 | -171.3 | -57.1 | -61.4 | 0 | 0 | 0 | 114.2 | L70 H73 A79 H102 C106 L107 | L70-F75 HydrophobicContact CD2-CD1 3.94Å; L70-F75 HydrophobicContact CD2-CE1 4.17Å; H73-F75 HydrophobicContact CB-CD2 4.36Å; H73-F75 HydrophobicContact CB-CE2 3.6Å; H73-F75 HydrophobicContact CB-CZ 3.8Å; H73-F75 AromaticContact CG-CE2 3.91Å; H73-F75 AromaticContact CG-CZ 3.7Å; H73-F75 AromaticContact ND1-CE2 3.53Å; H73-F75 AromaticContact ND1-CZ 3.2Å; H73-F75 WeakPolarHBondContact ND1-CZ 3.34Å; H73-F75 WeakPolarHBondContact O-CD2 3.44Å; H73-F75 PolarHBondContact O-N 3.17Å; F75-A79 WeakPolarHBondContact O-CB 3.19Å; F75-A79 PolarHBondContact O-N 2.68Å; F75-H102 AromaticContact CE1-NE2 3.78Å; F75-C106 HydrophobicContact CD1-CB 3.78Å; F75-C106 HydrophobicContact CD2-CB 3.78Å; F75-C106 HydrophobicContact CE1-CB 3.57Å; F75-C106 HydrophobicContact CE2-CB 3.56Å; F75-C106 HydrophobicContact CG-CB 3.88Å; F75-C106 HydrophobicContact CZ-CB 3.44Å; F75-C106 VanDerWaalsContact CZ-CB 3.44Å; F75-C106 VanDerWaalsContact CZ-SG 3.51Å; F75-L107 HydrophobicContact CB-CD2 3.81Å; F75-L107 HydrophobicContact CB-CG 4.02Å |
| 76 | K | 84.4 | Confident | 86.1 | Confident | 136 Ų | 136 | 40.6 Ų | 40.6 | 59% | 0.591 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -67.6 | -41.1 | 174.3 | -66.5 | -175.4 | 179.8 | -178.9 | 0 | 112 | K74 A79 R80 | K74-K76 PolarHBondContact O-N 2.82Å; K74-K76 VanDerWaalsContact O-N 3.17Å; K76-A79 PolarHBondContact O-N 3.44Å; K76-R80 WeakPolarHBondContact O-CG 3.37Å; K76-R80 PolarHBondContact O-N 3.22Å; K76-R80 VanDerWaalsContact O-N 3.13Å |
| 77 | E | 84 | Confident | 85.2 | Confident | 24 Ų | 24 | 42.9 Ų | 42.9 | 11% | 0.112 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.6 | -41.8 | 174.3 | -67.1 | -56.3 | 136.7 | 0 | 0 | 110.9 | E41 S42 F69 K74 A79 R80 L81 | E41-E77 HydrophobicContact CB-CG 4.46Å; S42-E77 PolarHBondContact OG-OE2 3.37Å; F69-E77 HydrophobicContact CD1-CB 3.88Å; F69-E77 HydrophobicContact CD2-CB 4.33Å; F69-E77 HydrophobicContact CE1-CB 4.08Å; F69-E77 HydrophobicContact CE2-CB 4.5Å; F69-E77 HydrophobicContact CG-CB 4.06Å; F69-E77 HydrophobicContact CZ-CB 4.41Å; K74-E77 HydrophobicContact CB-CB 4.24Å; K74-E77 HydrophobicContact CB-CG 4.49Å; K74-E77 PolarHBondContact O-N 2.9Å; E77-A79 VanDerWaalsContact C-N 3.3Å; E77-A79 PolarHBondContact O-N 3.35Å; E77-R80 PolarHBondContact O-N 3.07Å; E77-R80 IonicContact OE1-CZ 3.63Å; E77-R80 IonicContact OE1-NH1 3.71Å; E77-R80 PolarHBondContact OE1-NH1 3Å; E77-L81 WeakPolarHBondContact O-CB 3.44Å; E77-L81 PolarHBondContact O-N 2.68Å |
| 78 | A | 88.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.4 | -43.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M66 F69 L70 K74 R80 L81 L82 I103 | M66-A78 WeakPolarHBondContact CE-O 3.5Å; M66-A78 HydrophobicContact SD-CB 3.72Å; F69-A78 HydrophobicContact CB-CB 3.87Å; L70-A78 HydrophobicContact CD2-CB 3.73Å; L70-A78 HydrophobicContact CG-CB 4.41Å; K74-A78 PolarHBondContact O-N 2.83Å; A78-R80 PolarHBondContact O-N 3.29Å; A78-L81 PolarHBondContact O-N 3.09Å; A78-L82 WeakPolarHBondContact O-CB 3.23Å; A78-L82 PolarHBondContact O-N 2.95Å; A78-I103 HydrophobicContact CB-CD1 3.81Å; A78-I103 HydrophobicContact CB-CG1 4.23Å |
| 79 | A | 85.8 | Confident | 84.2 | Confident | 17 Ų | 17 | 38.1 Ų | 38.1 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F75 K76 E77 L82 A83 I103 | F75-A79 WeakPolarHBondContact O-CB 3.19Å; F75-A79 PolarHBondContact O-N 2.68Å; K76-A79 PolarHBondContact O-N 3.44Å; E77-A79 VanDerWaalsContact C-N 3.3Å; E77-A79 PolarHBondContact O-N 3.35Å; A79-L82 PolarHBondContact O-N 3.44Å; A79-A83 WeakPolarHBondContact O-CB 3.49Å; A79-A83 PolarHBondContact O-N 3.05Å; A79-I103 HydrophobicContact CB-CG2 4.1Å |
| 80 | R | 82.6 | Confident | 83.6 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 19% | 0.185 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -46 | 175.5 | -71.5 | 169 | -178 | 139 | -0.2 | 111.5 | K76 E77 A78 L82 A83 H84 | K76-R80 WeakPolarHBondContact O-CG 3.37Å; K76-R80 PolarHBondContact O-N 3.22Å; K76-R80 VanDerWaalsContact O-N 3.13Å; E77-R80 PolarHBondContact O-N 3.07Å; E77-R80 IonicContact OE1-CZ 3.63Å; E77-R80 IonicContact OE1-NH1 3.71Å; E77-R80 PolarHBondContact OE1-NH1 3Å; A78-R80 PolarHBondContact O-N 3.29Å; R80-L82 VanDerWaalsContact C-N 3.31Å; R80-L82 PolarHBondContact O-N 2.69Å; R80-A83 WeakPolarHBondContact O-CB 3.46Å; R80-A83 PolarHBondContact O-N 3.04Å; R80-H84 PolarHBondContact O-N 2.97Å |
| 81 | L | 85.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 176.2 | -178.3 | 62.4 | 0 | 0 | 0 | 110.7 | L46 V62 A65 M66 F69 E77 A78 H84 S85 | L46-L81 HydrophobicContact CD1-CD1 3.92Å; L46-L81 HydrophobicContact CG-CD1 4.49Å; V62-L81 HydrophobicContact CG1-CD1 4.27Å; V62-L81 HydrophobicContact CG1-CG 4.34Å; A65-L81 HydrophobicContact CB-CD2 3.8Å; M66-L81 HydrophobicContact CB-CD2 4.1Å; M66-L81 HydrophobicContact CE-CB 3.98Å; M66-L81 HydrophobicContact CE-CD2 3.99Å; M66-L81 HydrophobicContact CE-CG 3.91Å; F69-L81 HydrophobicContact CD2-CB 4.5Å; F69-L81 HydrophobicContact CD2-CD2 3.86Å; F69-L81 HydrophobicContact CE2-CD2 3.99Å; E77-L81 WeakPolarHBondContact O-CB 3.44Å; E77-L81 PolarHBondContact O-N 2.68Å; A78-L81 PolarHBondContact O-N 3.09Å; L81-H84 PolarHBondContact O-N 3.42Å; L81-S85 VanDerWaalsContact O-CB 3.3Å; L81-S85 WeakPolarHBondContact O-CB 3.43Å; L81-S85 PolarHBondContact O-N 3.17Å; L81-S85 PolarHBondContact O-OG 3.19Å |
| 82 | L | 87.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 178.3 | -176.2 | 59.4 | 0 | 0 | 0 | 111.2 | F21 M66 A78 A79 R80 H84 S85 I86 W95 V99 A100 I103 | F21-L82 HydrophobicContact CE2-CB 4.45Å; F21-L82 HydrophobicContact CE2-CD2 3.91Å; F21-L82 HydrophobicContact CE2-CG 3.68Å; F21-L82 HydrophobicContact CZ-CB 3.98Å; F21-L82 HydrophobicContact CZ-CD2 3.66Å; F21-L82 HydrophobicContact CZ-CG 3.6Å; M66-L82 HydrophobicContact CE-CB 3.66Å; M66-L82 HydrophobicContact CE-CD1 4.33Å; A78-L82 WeakPolarHBondContact O-CB 3.23Å; A78-L82 PolarHBondContact O-N 2.95Å; A79-L82 PolarHBondContact O-N 3.44Å; R80-L82 VanDerWaalsContact C-N 3.31Å; R80-L82 PolarHBondContact O-N 2.69Å; L82-H84 PolarHBondContact O-N 2.74Å; L82-S85 WeakPolarHBondContact O-CB 3.32Å; L82-S85 PolarHBondContact O-N 2.82Å; L82-S85 VanDerWaalsContact O-N 3.15Å; L82-I86 HydrophobicContact CD1-CD1 3.91Å; L82-I86 HydrophobicContact CD1-CG1 4.46Å; L82-I86 HydrophobicContact CG-CD1 3.92Å; L82-I86 WeakPolarHBondContact O-CD1 3.34Å; L82-I86 WeakPolarHBondContact O-CG1 3.4Å; L82-I86 PolarHBondContact O-N 3.08Å; L82-I86 VanDerWaalsContact O-N 3.09Å; L82-W95 HydrophobicContact CD1-CE3 4.2Å; L82-W95 HydrophobicContact CD1-CH2 3.98Å; L82-W95 HydrophobicContact CD1-CZ3 3.48Å; L82-W95 VanDerWaalsContact CD1-CZ3 3.48Å; L82-V99 HydrophobicContact CD1-CB 4.44Å; L82-V99 HydrophobicContact CD1-CG1 4.26Å; L82-V99 HydrophobicContact CD2-CB 4.32Å; L82-V99 HydrophobicContact CD2-CG1 3.95Å; L82-A100 HydrophobicContact CD2-CB 3.85Å; L82-I103 HydrophobicContact CD2-CD1 4.19Å |
| 83 | A | 81.2 | Confident | 82.2 | Confident | 19 Ų | 19 | 40 Ų | 40 | 16% | 0.157 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.7 | -48.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F21 A79 R80 S85 H87 | F21-A83 HydrophobicContact CB-CB 4.39Å; F21-A83 HydrophobicContact CD1-CB 3.27Å; F21-A83 HydrophobicContact CE1-CB 3.54Å; F21-A83 HydrophobicContact CG-CB 3.84Å; F21-A83 HydrophobicContact CZ-CB 4.36Å; A79-A83 WeakPolarHBondContact O-CB 3.49Å; A79-A83 PolarHBondContact O-N 3.05Å; R80-A83 WeakPolarHBondContact O-CB 3.46Å; R80-A83 PolarHBondContact O-N 3.04Å; A83-S85 VanDerWaalsContact C-N 3.33Å; A83-S85 PolarHBondContact O-N 3.25Å; A83-H87 PolarHBondContact O-CD2 2.99Å |
| 84 | H | 79.6 | Confident | 81.8 | Confident | 40 Ų | 40 | 38.2 Ų | 38.2 | 19% | 0.185 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 174.3 | 175.4 | 81 | 0 | 0 | 0 | 111.4 | L38 R80 L81 L82 I86 H87 A88 Y89 | L38-H84 HydrophobicContact CD1-CB 3.59Å; L38-H84 VanDerWaalsContact CD1-ND1 3.26Å; L38-H84 WeakPolarHBondContact CD1-ND1 3.31Å; R80-H84 PolarHBondContact O-N 2.97Å; L81-H84 PolarHBondContact O-N 3.42Å; L82-H84 PolarHBondContact O-N 2.74Å; H84-I86 VanDerWaalsContact C-N 3.28Å; H84-I86 PolarHBondContact O-N 3.36Å; H84-H87 PolarHBondContact O-N 3.1Å; H84-A88 WeakPolarHBondContact O-CB 3.2Å; H84-A88 PolarHBondContact O-N 3.32Å; H84-Y89 AromaticContact NE2-CE2 3.9Å |
| 85 | S | 83.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -38.4 | -174.1 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | V62 L81 L82 A83 H87 Y89 | V62-S85 WeakPolarHBondContact CG1-OG 3.4Å; L81-S85 VanDerWaalsContact O-CB 3.3Å; L81-S85 WeakPolarHBondContact O-CB 3.43Å; L81-S85 PolarHBondContact O-N 3.17Å; L81-S85 PolarHBondContact O-OG 3.19Å; L82-S85 WeakPolarHBondContact O-CB 3.32Å; L82-S85 PolarHBondContact O-N 2.82Å; L82-S85 VanDerWaalsContact O-N 3.15Å; A83-S85 VanDerWaalsContact C-N 3.33Å; A83-S85 PolarHBondContact O-N 3.25Å; S85-H87 PolarHBondContact O-N 3.5Å; S85-Y89 PolarHBondContact O-N 3.29Å; S85-Y89 VanDerWaalsContact O-O 3.04Å |
| 86 | I | 78.7 | Confident | 81.8 | Confident | 29 Ų | 29 | 36.5 Ų | 36.5 | 15% | 0.149 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.7 | -20.3 | 179.6 | -73.1 | 156.9 | 0 | 0 | 0 | 112.3 | L18 F21 L82 H84 V96 | L18-I86 HydrophobicContact CB-CG2 4.41Å; F21-I86 HydrophobicContact CD2-CB 4.39Å; F21-I86 HydrophobicContact CD2-CD1 3.17Å; F21-I86 HydrophobicContact CD2-CG1 4.36Å; F21-I86 HydrophobicContact CE2-CD1 3.11Å; F21-I86 HydrophobicContact CG-CD1 4.41Å; F21-I86 HydrophobicContact CZ-CD1 4.3Å; L82-I86 HydrophobicContact CD1-CD1 3.91Å; L82-I86 HydrophobicContact CD1-CG1 4.46Å; L82-I86 HydrophobicContact CG-CD1 3.92Å; L82-I86 WeakPolarHBondContact O-CD1 3.34Å; L82-I86 WeakPolarHBondContact O-CG1 3.4Å; L82-I86 PolarHBondContact O-N 3.08Å; L82-I86 VanDerWaalsContact O-N 3.09Å; H84-I86 VanDerWaalsContact C-N 3.28Å; H84-I86 PolarHBondContact O-N 3.36Å; I86-V96 HydrophobicContact CD1-CB 4.4Å; I86-V96 HydrophobicContact CD1-CG1 3.49Å; I86-V96 VanDerWaalsContact CD1-CG1 3.49Å; I86-V96 HydrophobicContact CD1-CG2 4.05Å; I86-V96 HydrophobicContact CG1-CG1 4.08Å; I86-V96 HydrophobicContact CG1-CG2 3.75Å |
| 87 | H | 72.8 | Confident | 81.9 | Confident | 51 Ų | 51 | 30.4 Ų | 30.4 | 24% | 0.236 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -96.7 | -32.9 | 177.4 | -64.4 | -21.6 | 0 | 0 | 0 | 113 | R17 W37 A83 H84 S85 | R17-H87 VanDerWaalsContact CB-CE1 3.47Å; R17-H87 WeakPolarHBondContact CB-CE1 3.47Å; W37-H87 AromaticContact CH2-CD2 3.58Å; W37-H87 HydrophobicContact CZ3-CB 4.39Å; A83-H87 PolarHBondContact O-CD2 2.99Å; H84-H87 PolarHBondContact O-N 3.1Å; S85-H87 PolarHBondContact O-N 3.5Å |
| 88 | A | 74.4 | Confident | 82.3 | Confident | 49 Ų | 49 | 35.2 Ų | 35.2 | 41% | 0.405 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -90.7 | -34 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | H84 | H84-A88 WeakPolarHBondContact O-CB 3.2Å; H84-A88 PolarHBondContact O-N 3.32Å |
| 89 | Y | 78 | Confident | 82.4 | Confident | 49 Ų | 49 | 35.8 Ų | 35.8 | 19% | 0.192 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -128 | 145.8 | -169.7 | -51.1 | -69.4 | 0 | 0 | 0 | 112.5 | E58 V62 H84 S85 M91 | E58-Y89 HydrophobicContact CB-CD1 4.36Å; E58-Y89 HydrophobicContact CB-CE1 3.61Å; E58-Y89 HydrophobicContact CG-CE1 4.44Å; E58-Y89 WeakPolarHBondContact OE2-CE1 3.33Å; V62-Y89 HydrophobicContact CG2-CD2 3.92Å; V62-Y89 HydrophobicContact CG2-CE2 3.45Å; V62-Y89 VanDerWaalsContact CG2-CE2 3.45Å; H84-Y89 AromaticContact NE2-CE2 3.9Å; S85-Y89 PolarHBondContact O-N 3.29Å; S85-Y89 VanDerWaalsContact O-O 3.04Å; Y89-M91 HydrophobicContact CD2-CE 4.38Å; Y89-M91 PolarHBondContact O-N 3.4Å |
| 90 | P | 75.2 | Confident | 82.6 | Confident | 118 Ų | 118 | 35 Ų | 35 | 77% | 0.766 | 19% | 0.187 | S | C | * | . | trans | -74.4 | 73.3 | 170.1 | 31.6 | -34 | 0 | 0 | 0 | 110.5 | K59 | K59-P90 PolarHBondContact NZ-O 2.99Š| ||
| 91 | M | 81.5 | Confident | 83 | Confident | 24 Ų | 24 | 33.1 Ų | 33.1 | 12% | 0.118 | 18% | 0.18 | C | C | . | . | trans | -71.7 | 144.5 | 174.8 | -67.8 | -57.7 | -163.6 | 0 | 0 | 111.1 | K59 V62 I63 Y89 W95 V96 | K59-M91 HydrophobicContact CD-SD 4.12Å; K59-M91 HydrophobicContact CG-CE 4.05Å; K59-M91 HydrophobicContact CG-SD 3.77Å; V62-M91 HydrophobicContact CB-CE 3.82Å; V62-M91 HydrophobicContact CG1-CE 3.31Å; I63-M91 HydrophobicContact CG1-CE 4.42Å; Y89-M91 HydrophobicContact CD2-CE 4.38Å; Y89-M91 PolarHBondContact O-N 3.4Å; M91-W95 HydrophobicContact CB-CE3 4.08Å; M91-W95 HydrophobicContact CB-CZ3 4.35Å; M91-W95 HydrophobicContact CE-CH2 4.11Å; M91-W95 HydrophobicContact CE-CZ3 4.07Å; M91-W95 HydrophobicContact CG-CE3 4.06Å; M91-W95 HydrophobicContact CG-CZ3 3.9Å; M91-W95 HydrophobicContact SD-CE3 4.22Å; M91-W95 HydrophobicContact SD-CZ3 4.18Å; M91-V96 HydrophobicContact CB-CG2 3.82Å | ||
| 92 | S | 80 | Confident | 83.3 | Confident | 55 Ų | 55 | 36.6 Ų | 36.6 | 39% | 0.385 | 20% | 0.196 | S | C | . | . | trans | -66 | 138.5 | 174.1 | 61.7 | 0 | 0 | 0 | 0 | 109.5 | T94 W95 V96 | S92-T94 PolarHBondContact O-N 2.92Å; S92-W95 PolarHBondContact O-N 2.51Å; S92-W95 VanDerWaalsContact OG-CB 3.22Å; S92-W95 WeakPolarHBondContact OG-CB 3.33Å; S92-W95 PolarHBondContact OG-N 3.44Å; S92-V96 PolarHBondContact O-N 2.92Å; S92-V96 VanDerWaalsContact O-N 3.12Å | ||
| 93 | S | 77.7 | Confident | 83.5 | Confident | 25 Ų | 25 | 36.6 Ų | 36.6 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.6 | -34.8 | 176.5 | 56.4 | 0 | 0 | 0 | 0 | 112.6 | V96 W97 | S93-V96 PolarHBondContact O-N 3.18Å; S93-W97 PolarHBondContact O-N 3.33Å |
| 94 | T | 82 | Confident | 83.9 | Confident | 29 Ų | 29 | 35.9 Ų | 35.9 | 18% | 0.178 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -53.1 | -55.4 | 173.4 | -62.1 | 0 | 0 | 0 | 0 | 112.8 | S92 V96 W97 R98 S126 D127 | S92-T94 PolarHBondContact O-N 2.92Å; T94-V96 VanDerWaalsContact C-N 3.33Å; T94-V96 PolarHBondContact O-N 3.43Å; T94-W97 VanDerWaalsContact CA-CD1 3.47Å; T94-W97 PolarHBondContact O-NE1 3.23Å; T94-R98 VanDerWaalsContact O-CG 3.28Å; T94-R98 WeakPolarHBondContact O-CG 3.49Å; T94-R98 PolarHBondContact O-N 3.11Å; T94-S126 PolarHBondContact OG1-OG 2.61Å; T94-S126 VanDerWaalsContact OG1-OG 3.07Å; T94-D127 WeakPolarHBondContact CA-OD1 3.29Å; T94-D127 VanDerWaalsContact CB-OD1 3.3Å; T94-D127 WeakPolarHBondContact CB-OD1 3.13Å; T94-D127 HydrophobicContact CG2-CB 4.48Å; T94-D127 VanDerWaalsContact CG2-CG 3.47Å; T94-D127 WeakPolarHBondContact CG2-OD2 3.5Å; T94-D127 PolarHBondContact OG1-OD1 3.42Å |
| 95 | W | 86.8 | Confident | 84.4 | Confident | 45 Ų | 45 | 37.6 Ų | 37.6 | 17% | 0.17 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.2 | -43.3 | 177.1 | -178.1 | 85 | 0 | 0 | 0 | 111.8 | V62 I63 M66 L82 M91 S92 W97 R98 V99 | V62-W95 HydrophobicContact CG1-CH2 4.32Å; I63-W95 HydrophobicContact CG1-CZ2 4.12Å; M66-W95 HydrophobicContact CB-CH2 4.42Å; M66-W95 HydrophobicContact CB-CZ2 3.85Å; M66-W95 HydrophobicContact CE-CH2 3.84Å; M66-W95 HydrophobicContact CE-CZ2 4.26Å; M66-W95 HydrophobicContact CG-CH2 4.31Å; M66-W95 HydrophobicContact CG-CZ2 3.79Å; L82-W95 HydrophobicContact CD1-CE3 4.2Å; L82-W95 HydrophobicContact CD1-CH2 3.98Å; L82-W95 HydrophobicContact CD1-CZ3 3.48Å; L82-W95 VanDerWaalsContact CD1-CZ3 3.48Å; M91-W95 HydrophobicContact CB-CE3 4.08Å; M91-W95 HydrophobicContact CB-CZ3 4.35Å; M91-W95 HydrophobicContact CE-CH2 4.11Å; M91-W95 HydrophobicContact CE-CZ3 4.07Å; M91-W95 HydrophobicContact CG-CE3 4.06Å; M91-W95 HydrophobicContact CG-CZ3 3.9Å; M91-W95 HydrophobicContact SD-CE3 4.22Å; M91-W95 HydrophobicContact SD-CZ3 4.18Å; S92-W95 PolarHBondContact O-N 2.51Å; S92-W95 VanDerWaalsContact OG-CB 3.22Å; S92-W95 WeakPolarHBondContact OG-CB 3.33Å; S92-W95 PolarHBondContact OG-N 3.44Å; W95-W97 PolarHBondContact O-N 3.39Å; W95-R98 PolarHBondContact O-N 3.49Å; W95-V99 HydrophobicContact CD2-CG2 4.05Å; W95-V99 HydrophobicContact CG-CG2 4.36Å; W95-V99 HydrophobicContact CZ2-CG2 4.09Å; W95-V99 WeakPolarHBondContact O-CB 3.5Å; W95-V99 VanDerWaalsContact O-CG2 3.28Å; W95-V99 WeakPolarHBondContact O-CG2 3.44Å; W95-V99 PolarHBondContact O-N 3.18Å |
| 96 | V | 87.2 | Confident | 84.7 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.4 | -51 | -178.7 | 167.6 | 0 | 0 | 0 | 0 | 111.9 | I86 M91 S92 S93 T94 A100 | I86-V96 HydrophobicContact CD1-CB 4.4Å; I86-V96 HydrophobicContact CD1-CG1 3.49Å; I86-V96 VanDerWaalsContact CD1-CG1 3.49Å; I86-V96 HydrophobicContact CD1-CG2 4.05Å; I86-V96 HydrophobicContact CG1-CG1 4.08Å; I86-V96 HydrophobicContact CG1-CG2 3.75Å; M91-V96 HydrophobicContact CB-CG2 3.82Å; S92-V96 PolarHBondContact O-N 2.92Å; S92-V96 VanDerWaalsContact O-N 3.12Å; S93-V96 PolarHBondContact O-N 3.18Å; T94-V96 VanDerWaalsContact C-N 3.33Å; T94-V96 PolarHBondContact O-N 3.43Å; V96-A100 VanDerWaalsContact O-CB 3.27Å; V96-A100 WeakPolarHBondContact O-CB 3.38Å; V96-A100 PolarHBondContact O-N 3.13Å |
| 97 | W | 88 | Confident | 85.1 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.7 | -37.8 | -176.7 | 77.5 | -106.1 | 0 | 0 | 0 | 111.9 | S93 T94 W95 A100 F101 F116 L120 D127 N130 R131 E134 | S93-W97 PolarHBondContact O-N 3.33Å; T94-W97 VanDerWaalsContact CA-CD1 3.47Å; T94-W97 PolarHBondContact O-NE1 3.23Å; W95-W97 PolarHBondContact O-N 3.39Å; W97-A100 PolarHBondContact O-N 2.88Å; W97-F101 HydrophobicContact CE3-CB 4.37Å; W97-F101 WeakPolarHBondContact O-CB 3.3Å; W97-F101 PolarHBondContact O-N 3.46Å; W97-F116 HydrophobicContact CB-CE1 4.15Å; W97-F116 HydrophobicContact CB-CZ 4.33Å; W97-L120 HydrophobicContact CB-CD1 3.54Å; W97-L120 HydrophobicContact CG-CD1 4.48Å; W97-D127 WeakPolarHBondContact CZ2-OD2 3.47Å; W97-D127 VanDerWaalsContact NE1-CG 3.28Å; W97-D127 PolarHBondContact NE1-OD1 2.75Å; W97-D127 PolarHBondContact NE1-OD2 2.88Å; W97-N130 HydrophobicContact CH2-CB 4.44Å; W97-N130 HydrophobicContact CZ2-CB 4.2Å; W97-R131 HydrophobicContact CD2-CB 4.03Å; W97-R131 HydrophobicContact CD2-CG 4.05Å; W97-R131 HydrophobicContact CE3-CB 4.19Å; W97-R131 HydrophobicContact CE3-CG 4Å; W97-R131 HydrophobicContact CG-CG 4.49Å; W97-R131 HydrophobicContact CH2-CB 4.11Å; W97-R131 HydrophobicContact CZ2-CB 3.92Å; W97-R131 HydrophobicContact CZ3-CB 4.23Å; W97-R131 HydrophobicContact CZ3-CG 4.36Å; W97-E134 HydrophobicContact CH2-CB 4.41Å; W97-E134 HydrophobicContact CH2-CG 3.95Å; W97-E134 HydrophobicContact CZ3-CB 4.16Å; W97-E134 HydrophobicContact CZ3-CG 4.03Å |
| 98 | R | 91 | Very high | 85.9 | Confident | 124 Ų | 124 | 47.6 Ų | 47.6 | 47% | 0.468 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.9 | -47.1 | 178.4 | -71.4 | 178.3 | -173 | -157.1 | 0.6 | 112 | T94 W95 F101 H102 D127 | T94-R98 VanDerWaalsContact O-CG 3.28Å; T94-R98 WeakPolarHBondContact O-CG 3.49Å; T94-R98 PolarHBondContact O-N 3.11Å; W95-R98 PolarHBondContact O-N 3.49Å; R98-F101 PolarHBondContact O-N 3.03Å; R98-H102 PolarHBondContact O-N 3.14Å; R98-D127 IonicContact CZ-OD2 3.34Å; R98-D127 IonicContact NE-OD2 3.71Å; R98-D127 PolarHBondContact NE-OD2 3.14Å; R98-D127 IonicContact NH2-OD2 2.51Å; R98-D127 PolarHBondContact NH2-OD2 2.91Å |
| 99 | V | 91.6 | Very high | 86.5 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -45.5 | 177.8 | 176 | 0 | 0 | 0 | 0 | 110.4 | M66 L70 L82 W95 F101 H102 I103 | M66-V99 HydrophobicContact CE-CG1 4Å; M66-V99 HydrophobicContact CG-CG1 3.82Å; M66-V99 HydrophobicContact CG-CG2 4.33Å; M66-V99 HydrophobicContact SD-CG1 3.55Å; M66-V99 VanDerWaalsContact SD-CG1 3.55Å; L70-V99 HydrophobicContact CD1-CG1 4.41Å; L82-V99 HydrophobicContact CD1-CB 4.44Å; L82-V99 HydrophobicContact CD1-CG1 4.26Å; L82-V99 HydrophobicContact CD2-CB 4.32Å; L82-V99 HydrophobicContact CD2-CG1 3.95Å; W95-V99 HydrophobicContact CD2-CG2 4.05Å; W95-V99 HydrophobicContact CG-CG2 4.36Å; W95-V99 HydrophobicContact CZ2-CG2 4.09Å; W95-V99 WeakPolarHBondContact O-CB 3.5Å; W95-V99 VanDerWaalsContact O-CG2 3.28Å; W95-V99 WeakPolarHBondContact O-CG2 3.44Å; W95-V99 PolarHBondContact O-N 3.18Å; V99-F101 PolarHBondContact O-N 3.15Å; V99-H102 PolarHBondContact O-N 3.32Å; V99-I103 HydrophobicContact CG1-CD1 3.71Å; V99-I103 HydrophobicContact CG1-CG1 4.39Å; V99-I103 WeakPolarHBondContact O-CB 3.49Å; V99-I103 VanDerWaalsContact O-CG1 3.26Å; V99-I103 WeakPolarHBondContact O-CG1 3.31Å; V99-I103 PolarHBondContact O-N 2.82Å |
| 100 | A | 90.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59 | -47.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L82 V96 W97 H102 I103 F104 F116 | L82-A100 HydrophobicContact CD2-CB 3.85Å; V96-A100 VanDerWaalsContact O-CB 3.27Å; V96-A100 WeakPolarHBondContact O-CB 3.38Å; V96-A100 PolarHBondContact O-N 3.13Å; W97-A100 PolarHBondContact O-N 2.88Å; A100-H102 PolarHBondContact O-N 3.13Å; A100-I103 PolarHBondContact O-N 2.94Å; A100-F104 HydrophobicContact CB-CD2 4.39Å; A100-F104 HydrophobicContact CB-CE2 4.3Å; A100-F104 WeakPolarHBondContact O-CD2 3.44Å; A100-F104 PolarHBondContact O-N 2.73Å; A100-F116 HydrophobicContact CB-CD1 4.28Å; A100-F116 HydrophobicContact CB-CD2 4.5Å; A100-F116 HydrophobicContact CB-CE1 3.57Å; A100-F116 HydrophobicContact CB-CE2 3.89Å; A100-F116 HydrophobicContact CB-CZ 3.38Å |
| 101 | F | 91 | Very high | 87.8 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 4% | 0.039 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.7 | -48.1 | -180 | -165.8 | -89.1 | 0 | 0 | 0 | 111.3 | W97 R98 V99 F104 Q105 L113 E134 F135 Y138 | W97-F101 HydrophobicContact CE3-CB 4.37Å; W97-F101 WeakPolarHBondContact O-CB 3.3Å; W97-F101 PolarHBondContact O-N 3.46Å; R98-F101 PolarHBondContact O-N 3.03Å; V99-F101 PolarHBondContact O-N 3.15Å; F101-F104 PolarHBondContact O-N 2.62Å; F101-Q105 HydrophobicContact CD1-CG 4.26Å; F101-Q105 HydrophobicContact CE1-CG 4.27Å; F101-Q105 WeakPolarHBondContact O-CG 3.42Å; F101-Q105 PolarHBondContact O-N 2.8Å; F101-L113 HydrophobicContact CB-CD1 4.48Å; F101-L113 HydrophobicContact CD2-CD1 3.57Å; F101-L113 HydrophobicContact CD2-CD2 4.28Å; F101-L113 HydrophobicContact CD2-CG 4.41Å; F101-L113 HydrophobicContact CE2-CD1 4.04Å; F101-L113 HydrophobicContact CE2-CD2 4.07Å; F101-L113 HydrophobicContact CE2-CG 4.42Å; F101-L113 HydrophobicContact CG-CD1 4.15Å; F101-L113 HydrophobicContact CZ-CD2 4.37Å; F101-E134 HydrophobicContact CE1-CB 4.09Å; F101-E134 HydrophobicContact CE2-CB 4.32Å; F101-E134 HydrophobicContact CZ-CB 3.9Å; F101-E134 WeakPolarHBondContact CZ-O 3.44Å; F101-F135 HydrophobicContact CE2-CB 4.33Å; F101-F135 HydrophobicContact CE2-CD2 4.13Å; F101-Y138 HydrophobicContact CZ-CG 4.32Å |
| 102 | H | 91.2 | Very high | 88 | Confident | 73 Ų | 73 | 45.5 Ų | 45.5 | 34% | 0.338 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 175.7 | 178.6 | 71.8 | 0 | 0 | 0 | 112.3 | F75 R98 V99 A100 F104 Q105 C106 | F75-H102 AromaticContact CE1-NE2 3.78Å; R98-H102 PolarHBondContact O-N 3.14Å; V99-H102 PolarHBondContact O-N 3.32Å; A100-H102 PolarHBondContact O-N 3.13Å; H102-F104 PolarHBondContact O-N 2.69Å; H102-Q105 PolarHBondContact O-N 2.85Å; H102-C106 PolarHBondContact CE1-SG 2.88Å; H102-C106 WeakPolarHBondContact O-CB 3.47Å; H102-C106 PolarHBondContact O-N 2.96Å; H102-C106 PolarHBondContact O-SG 3.26Å; H102-C106 VanDerWaalsContact O-SG 3.35Å |
| 103 | I | 90.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.1 | -48.3 | 177.6 | -71 | 169.4 | 0 | 0 | 0 | 111 | L70 A78 A79 L82 V99 A100 Q105 C106 L107 | L70-I103 HydrophobicContact CD2-CD1 4.41Å; L70-I103 HydrophobicContact CD2-CG1 3.83Å; A78-I103 HydrophobicContact CB-CD1 3.81Å; A78-I103 HydrophobicContact CB-CG1 4.23Å; A79-I103 HydrophobicContact CB-CG2 4.1Å; L82-I103 HydrophobicContact CD2-CD1 4.19Å; V99-I103 HydrophobicContact CG1-CD1 3.71Å; V99-I103 HydrophobicContact CG1-CG1 4.39Å; V99-I103 WeakPolarHBondContact O-CB 3.49Å; V99-I103 VanDerWaalsContact O-CG1 3.26Å; V99-I103 WeakPolarHBondContact O-CG1 3.31Å; V99-I103 PolarHBondContact O-N 2.82Å; A100-I103 PolarHBondContact O-N 2.94Å; I103-Q105 VanDerWaalsContact C-N 3.34Å; I103-Q105 PolarHBondContact O-N 3.07Å; I103-C106 PolarHBondContact O-N 3.45Å; I103-L107 HydrophobicContact CG2-CD1 3.69Å; I103-L107 HydrophobicContact CG2-CG 4.31Å; I103-L107 WeakPolarHBondContact O-CB 3.33Å; I103-L107 VanDerWaalsContact O-CG 3.31Å; I103-L107 WeakPolarHBondContact O-CG 3.48Å; I103-L107 PolarHBondContact O-N 2.86Å |
| 104 | F | 90.7 | Very high | 89.1 | Confident | 3 Ų | 3 | 45 Ų | 45 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.6 | -41.7 | 179.2 | -78.7 | -62.4 | 0 | 0 | 0 | 112.3 | I25 A100 F101 H102 L107 K108 D109 L113 F116 | I25-F104 HydrophobicContact CD1-CE1 4.24Å; I25-F104 HydrophobicContact CD1-CE2 4.38Å; I25-F104 HydrophobicContact CD1-CZ 3.77Å; I25-F104 HydrophobicContact CG1-CE1 4.46Å; I25-F104 HydrophobicContact CG1-CZ 3.91Å; I25-F104 HydrophobicContact CG2-CE1 3.75Å; I25-F104 HydrophobicContact CG2-CZ 4.03Å; A100-F104 HydrophobicContact CB-CD2 4.39Å; A100-F104 HydrophobicContact CB-CE2 4.3Å; A100-F104 WeakPolarHBondContact O-CD2 3.44Å; A100-F104 PolarHBondContact O-N 2.73Å; F101-F104 PolarHBondContact O-N 2.62Å; H102-F104 PolarHBondContact O-N 2.69Å; F104-L107 CarbonylContact O-C 3.52Å; F104-L107 PolarHBondContact O-N 3.09Å; F104-K108 PolarHBondContact O-N 3.17Å; F104-D109 HydrophobicContact CD1-CB 4.08Å; F104-D109 PolarHBondContact O-N 2.83Å; F104-L113 HydrophobicContact CB-CB 3.88Å; F104-L113 HydrophobicContact CB-CD1 3.95Å; F104-L113 HydrophobicContact CB-CD2 4.44Å; F104-L113 HydrophobicContact CB-CG 4.31Å; F104-L113 HydrophobicContact CD2-CB 4.49Å; F104-L113 HydrophobicContact CD2-CD1 3.89Å; F104-L113 HydrophobicContact CG-CB 4.14Å; F104-L113 HydrophobicContact CG-CD1 4.21Å; F104-F116 HydrophobicContact CD2-CB 4.39Å; F104-F116 HydrophobicContact CD2-CG 4.41Å; F104-F116 HydrophobicContact CE2-CB 3.66Å; F104-F116 HydrophobicContact CE2-CD1 4.18Å; F104-F116 AromaticContact CE2-CD2 3.96Å; F104-F116 HydrophobicContact CE2-CD2 3.96Å; F104-F116 AromaticContact CE2-CG 3.68Å; F104-F116 HydrophobicContact CE2-CG 3.68Å; F104-F116 HydrophobicContact CZ-CB 4.13Å; F104-F116 HydrophobicContact CZ-CG 4.48Å |
| 105 | Q | 89.5 | Confident | 89.3 | Confident | 77 Ų | 77 | 45.6 Ų | 45.6 | 36% | 0.36 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 176.1 | -75.9 | -171.1 | -16.7 | 0 | 0 | 111.9 | F101 H102 I103 L107 K108 L113 Y138 | F101-Q105 HydrophobicContact CD1-CG 4.26Å; F101-Q105 HydrophobicContact CE1-CG 4.27Å; F101-Q105 WeakPolarHBondContact O-CG 3.42Å; F101-Q105 PolarHBondContact O-N 2.8Å; H102-Q105 PolarHBondContact O-N 2.85Å; I103-Q105 VanDerWaalsContact C-N 3.34Å; I103-Q105 PolarHBondContact O-N 3.07Å; Q105-L107 VanDerWaalsContact C-N 3.34Å; Q105-L107 PolarHBondContact O-N 3.34Å; Q105-K108 PolarHBondContact O-N 2.91Å; Q105-K108 VanDerWaalsContact O-N 3.07Å; Q105-L113 HydrophobicContact CG-CD2 4.22Å; Q105-Y138 HydrophobicContact CG-CD2 4.28Å |
| 106 | C | 89.5 | Confident | 89.3 | Confident | 47 Ų | 47 | 43.8 Ų | 43.8 | 32% | 0.318 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.8 | -35.8 | 178.6 | -70.2 | 0 | 0 | 0 | 0 | 112.6 | F75 H102 I103 K108 | F75-C106 HydrophobicContact CD1-CB 3.78Å; F75-C106 HydrophobicContact CD2-CB 3.78Å; F75-C106 HydrophobicContact CE1-CB 3.57Å; F75-C106 HydrophobicContact CE2-CB 3.56Å; F75-C106 HydrophobicContact CG-CB 3.88Å; F75-C106 HydrophobicContact CZ-CB 3.44Å; F75-C106 VanDerWaalsContact CZ-CB 3.44Å; F75-C106 VanDerWaalsContact CZ-SG 3.51Å; H102-C106 PolarHBondContact CE1-SG 2.88Å; H102-C106 WeakPolarHBondContact O-CB 3.47Å; H102-C106 PolarHBondContact O-N 2.96Å; H102-C106 PolarHBondContact O-SG 3.26Å; H102-C106 VanDerWaalsContact O-SG 3.35Å; I103-C106 PolarHBondContact O-N 3.45Å; C106-K108 PolarHBondContact O-N 2.78Å |
| 107 | L | 87.8 | Confident | 89.3 | Confident | 72 Ų | 72 | 43.8 Ų | 43.8 | 38% | 0.377 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -6.4 | 173.6 | -68.4 | 177.4 | 0 | 0 | 0 | 113.5 | F75 I103 F104 Q105 D109 | F75-L107 HydrophobicContact CB-CD2 3.81Å; F75-L107 HydrophobicContact CB-CG 4.02Å; I103-L107 HydrophobicContact CG2-CD1 3.69Å; I103-L107 HydrophobicContact CG2-CG 4.31Å; I103-L107 WeakPolarHBondContact O-CB 3.33Å; I103-L107 VanDerWaalsContact O-CG 3.31Å; I103-L107 WeakPolarHBondContact O-CG 3.48Å; I103-L107 PolarHBondContact O-N 2.86Å; F104-L107 CarbonylContact O-C 3.52Å; F104-L107 PolarHBondContact O-N 3.09Å; Q105-L107 VanDerWaalsContact C-N 3.34Å; Q105-L107 PolarHBondContact O-N 3.34Å; L107-D109 PolarHBondContact O-N 2.91Å |
| 108 | K | 88.8 | Confident | 89.2 | Confident | 171 Ų | 171 | 51.4 Ų | 51.4 | 74% | 0.743 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 29.6 | -174.6 | -56.2 | -178.7 | -179.2 | 179.3 | 0 | 113.5 | F104 Q105 C106 D110 | F104-K108 PolarHBondContact O-N 3.17Å; Q105-K108 PolarHBondContact O-N 2.91Å; Q105-K108 VanDerWaalsContact O-N 3.07Å; C106-K108 PolarHBondContact O-N 2.78Å; K108-D110 PolarHBondContact O-N 3.14Å |
| 109 | D | 87.3 | Confident | 88.7 | Confident | 52 Ų | 52 | 46.8 Ų | 46.8 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | trans | -90.7 | 83.5 | 179.1 | 177.2 | 17.2 | 0 | 0 | 0 | 110.8 | F104 L107 V111 G112 L113 | F104-D109 HydrophobicContact CD1-CB 4.08Å; F104-D109 PolarHBondContact O-N 2.83Å; L107-D109 PolarHBondContact O-N 2.91Å; D109-V111 PolarHBondContact OD1-N 3.48Å; D109-G112 PolarHBondContact OD1-N 3.5Å; D109-G112 WeakPolarHBondContact OD2-CA 3.41Å; D109-L113 PolarHBondContact O-N 3.41Å | ||
| 110 | D | 90.7 | Very high | 88.2 | Confident | 43 Ų | 43 | 46.4 Ų | 46.4 | 23% | 0.23 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.9 | -34.3 | -176.6 | -67.7 | -19.1 | 0 | 0 | 0 | 112.6 | K108 R114 Y138 K142 | K108-D110 PolarHBondContact O-N 3.14Å; D110-R114 WeakPolarHBondContact O-CG 3.43Å; D110-R114 PolarHBondContact O-N 2.85Å; D110-Y138 VanDerWaalsContact CA-OH 3.26Å; D110-Y138 WeakPolarHBondContact CA-OH 3.5Å; D110-Y138 WeakPolarHBondContact CB-OH 3.41Å; D110-Y138 PolarHBondContact OD1-OH 2.67Å; D110-K142 WeakPolarHBondContact OD1-CE 3.44Å; D110-K142 IonicContact OD1-NZ 2.88Å; D110-K142 PolarHBondContact OD1-NZ 3.25Å; D110-K142 WeakPolarHBondContact OD2-CE 3.23Å; D110-K142 IonicContact OD2-NZ 3.62Å; D110-K142 PolarHBondContact OD2-NZ 3.41Å |
| 111 | V | 89.3 | Confident | 87.7 | Confident | 100 Ų | 100 | 47.1 Ų | 47.1 | 61% | 0.606 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -71 | -42.9 | 178.7 | 178.7 | 0 | 0 | 0 | 0 | 110 | D109 R114 T115 | D109-V111 PolarHBondContact OD1-N 3.48Å; V111-R114 PolarHBondContact O-N 2.93Å; V111-T115 WeakPolarHBondContact O-CB 3.48Å; V111-T115 PolarHBondContact O-N 3.08Å; V111-T115 PolarHBondContact O-OG1 3.06Å |
| 112 | G | 86.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L26 D109 R114 T115 F116 | L26-G112 VanDerWaalsContact CD1-CA 3.42Å; D109-G112 PolarHBondContact OD1-N 3.5Å; D109-G112 WeakPolarHBondContact OD2-CA 3.41Å; G112-R114 PolarHBondContact O-N 2.94Å; G112-T115 PolarHBondContact O-N 3.5Å; G112-F116 VanDerWaalsContact O-CB 3.25Å; G112-F116 WeakPolarHBondContact O-CB 3.45Å; G112-F116 PolarHBondContact O-N 3.44Å |
| 113 | L | 90.2 | Very high | 85.8 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 178 | -173.2 | 52 | 0 | 0 | 0 | 112.8 | F101 F104 Q105 D109 T115 F116 N117 Y138 | F101-L113 HydrophobicContact CB-CD1 4.48Å; F101-L113 HydrophobicContact CD2-CD1 3.57Å; F101-L113 HydrophobicContact CD2-CD2 4.28Å; F101-L113 HydrophobicContact CD2-CG 4.41Å; F101-L113 HydrophobicContact CE2-CD1 4.04Å; F101-L113 HydrophobicContact CE2-CD2 4.07Å; F101-L113 HydrophobicContact CE2-CG 4.42Å; F101-L113 HydrophobicContact CG-CD1 4.15Å; F101-L113 HydrophobicContact CZ-CD2 4.37Å; F104-L113 HydrophobicContact CB-CB 3.88Å; F104-L113 HydrophobicContact CB-CD1 3.95Å; F104-L113 HydrophobicContact CB-CD2 4.44Å; F104-L113 HydrophobicContact CB-CG 4.31Å; F104-L113 HydrophobicContact CD2-CB 4.49Å; F104-L113 HydrophobicContact CD2-CD1 3.89Å; F104-L113 HydrophobicContact CG-CB 4.14Å; F104-L113 HydrophobicContact CG-CD1 4.21Å; Q105-L113 HydrophobicContact CG-CD2 4.22Å; D109-L113 PolarHBondContact O-N 3.41Å; L113-T115 VanDerWaalsContact C-N 3.32Å; L113-T115 PolarHBondContact O-N 2.98Å; L113-F116 WeakPolarHBondContact O-CB 3.4Å; L113-F116 PolarHBondContact O-N 3.33Å; L113-N117 WeakPolarHBondContact O-CB 3.49Å; L113-N117 PolarHBondContact O-N 3.09Å; L113-Y138 HydrophobicContact CD2-CD1 4.02Å; L113-Y138 HydrophobicContact CD2-CD2 3.77Å; L113-Y138 HydrophobicContact CD2-CE1 3.87Å; L113-Y138 HydrophobicContact CD2-CE2 3.59Å; L113-Y138 HydrophobicContact CD2-CG 3.98Å |
| 114 | R | 89.7 | Confident | 84.9 | Confident | 70 Ų | 70 | 54.1 Ų | 54.1 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 178.7 | -70.4 | -176.8 | -175.9 | 104.6 | 14 | 112 | D110 V111 G112 N117 R118 F135 E139 N144 | D110-R114 WeakPolarHBondContact O-CG 3.43Å; D110-R114 PolarHBondContact O-N 2.85Å; V111-R114 PolarHBondContact O-N 2.93Å; G112-R114 PolarHBondContact O-N 2.94Å; R114-N117 PolarHBondContact O-N 3.11Å; R114-R118 WeakPolarHBondContact O-CB 3.27Å; R114-R118 PolarHBondContact O-N 3.09Å; R114-F135 HydrophobicContact CG-CE2 4.28Å; R114-F135 HydrophobicContact CG-CZ 4.07Å; R114-E139 IonicContact CZ-OE1 3.26Å; R114-E139 IonicContact CZ-OE2 2.73Å; R114-E139 IonicContact NE-OE1 3.48Å; R114-E139 PolarHBondContact NE-OE1 3.14Å; R114-E139 IonicContact NE-OE2 3.53Å; R114-E139 IonicContact NH2-OE1 2.97Å; R114-E139 PolarHBondContact NH2-OE1 3.16Å; R114-E139 IonicContact NH2-OE2 2.96Å; R114-E139 PolarHBondContact NH2-OE2 3.33Å; R114-E139 VanDerWaalsContact NH2-OE2 3.11Å; R114-N144 PolarHBondContact NH2-ND2 3.27Å |
| 115 | T | 86.9 | Confident | 84.2 | Confident | 40 Ų | 40 | 54.3 Ų | 54.3 | 25% | 0.245 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.3 | -45.8 | 177.4 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | L26 V111 G112 L113 N117 R118 V119 | L26-T115 HydrophobicContact CD2-CG2 4.11Å; V111-T115 WeakPolarHBondContact O-CB 3.48Å; V111-T115 PolarHBondContact O-N 3.08Å; V111-T115 PolarHBondContact O-OG1 3.06Å; G112-T115 PolarHBondContact O-N 3.5Å; L113-T115 VanDerWaalsContact C-N 3.32Å; L113-T115 PolarHBondContact O-N 2.98Å; T115-N117 VanDerWaalsContact C-N 3.34Å; T115-N117 PolarHBondContact O-N 3.31Å; T115-R118 PolarHBondContact O-N 2.89Å; T115-V119 WeakPolarHBondContact O-CG2 3.41Å; T115-V119 PolarHBondContact O-N 3.33Å |
| 116 | F | 87 | Confident | 83.5 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56 | -48.8 | 173.7 | 179.1 | -102.1 | 0 | 0 | 0 | 111.1 | C22 W97 A100 F104 G112 L113 R118 V119 L120 | C22-F116 HydrophobicContact CB-CD2 4.39Å; C22-F116 WeakPolarHBondContact SG-CD2 3.08Å; W97-F116 HydrophobicContact CB-CE1 4.15Å; W97-F116 HydrophobicContact CB-CZ 4.33Å; A100-F116 HydrophobicContact CB-CD1 4.28Å; A100-F116 HydrophobicContact CB-CD2 4.5Å; A100-F116 HydrophobicContact CB-CE1 3.57Å; A100-F116 HydrophobicContact CB-CE2 3.89Å; A100-F116 HydrophobicContact CB-CZ 3.38Å; F104-F116 HydrophobicContact CD2-CB 4.39Å; F104-F116 HydrophobicContact CD2-CG 4.41Å; F104-F116 HydrophobicContact CE2-CB 3.66Å; F104-F116 HydrophobicContact CE2-CD1 4.18Å; F104-F116 AromaticContact CE2-CD2 3.96Å; F104-F116 HydrophobicContact CE2-CD2 3.96Å; F104-F116 AromaticContact CE2-CG 3.68Å; F104-F116 HydrophobicContact CE2-CG 3.68Å; F104-F116 HydrophobicContact CZ-CB 4.13Å; F104-F116 HydrophobicContact CZ-CG 4.48Å; G112-F116 VanDerWaalsContact O-CB 3.25Å; G112-F116 WeakPolarHBondContact O-CB 3.45Å; G112-F116 PolarHBondContact O-N 3.44Å; L113-F116 WeakPolarHBondContact O-CB 3.4Å; L113-F116 PolarHBondContact O-N 3.33Å; F116-R118 PolarHBondContact O-N 2.88Å; F116-V119 WeakPolarHBondContact O-CB 2.99Å; F116-V119 PolarHBondContact O-N 3.27Å; F116-V119 VanDerWaalsContact O-N 3.16Å; F116-L120 HydrophobicContact CD1-CD1 3.92Å; F116-L120 HydrophobicContact CD1-CG 4.37Å; F116-L120 HydrophobicContact CE1-CD1 3.34Å; F116-L120 HydrophobicContact CE1-CG 4.03Å; F116-L120 HydrophobicContact CZ-CD1 3.75Å; F116-L120 HydrophobicContact CZ-CD2 4.25Å; F116-L120 HydrophobicContact CZ-CG 4.14Å; F116-L120 WeakPolarHBondContact O-CG 2.98Å; F116-L120 PolarHBondContact O-N 3.32Å |
| 117 | N | 87.5 | Confident | 83.1 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.043 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -42 | 179.9 | -164.1 | 66.8 | 0 | 0 | 0 | 112.5 | L113 R114 T115 V119 L120 D121 R131 F135 | L113-N117 WeakPolarHBondContact O-CB 3.49Å; L113-N117 PolarHBondContact O-N 3.09Å; R114-N117 PolarHBondContact O-N 3.11Å; T115-N117 VanDerWaalsContact C-N 3.34Å; T115-N117 PolarHBondContact O-N 3.31Å; N117-V119 VanDerWaalsContact C-N 3.31Å; N117-V119 PolarHBondContact O-N 2.86Å; N117-L120 WeakPolarHBondContact O-CA 3.35Å; N117-L120 WeakPolarHBondContact O-CB 3.28Å; N117-L120 PolarHBondContact O-N 3.18Å; N117-D121 PolarHBondContact O-N 3.06Å; N117-D121 VanDerWaalsContact O-N 3.08Å; N117-R131 VanDerWaalsContact CG-NH1 3.29Å; N117-R131 PolarHBondContact ND2-NH1 2.9Å; N117-R131 PolarHBondContact O-NH1 2.94Å; N117-R131 PolarHBondContact OD1-NH1 3.42Å; N117-F135 HydrophobicContact CB-CD2 3.94Å; N117-F135 HydrophobicContact CB-CE2 3.78Å; N117-F135 HydrophobicContact CB-CG 4.47Å; N117-F135 HydrophobicContact CB-CZ 4.18Å; N117-F135 VanDerWaalsContact ND2-CD1 3.27Å; N117-F135 WeakPolarHBondContact ND2-CD1 3.49Å; N117-F135 WeakPolarHBondContact ND2-CE1 3.46Å; N117-F135 WeakPolarHBondContact ND2-CG 3.45Å |
| 118 | R | 84.7 | Confident | 82.9 | Confident | 169 Ų | 169 | 49.1 Ų | 49.1 | 64% | 0.638 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.2 | -36.7 | 175 | -170.7 | -173.4 | -62 | 143.7 | 0.7 | 112.4 | R114 T115 F116 L120 D121 | R114-R118 WeakPolarHBondContact O-CB 3.27Å; R114-R118 PolarHBondContact O-N 3.09Å; T115-R118 PolarHBondContact O-N 2.89Å; F116-R118 PolarHBondContact O-N 2.88Å; R118-L120 VanDerWaalsContact C-N 3.3Å; R118-D121 PolarHBondContact O-N 3.24Å |
| 119 | V | 80.9 | Confident | 82.8 | Confident | 27 Ų | 27 | 41.8 Ų | 41.8 | 16% | 0.164 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -40.8 | 172.7 | 169.6 | 0 | 0 | 0 | 0 | 109.9 | R19 T115 F116 N117 D121 G122 F123 | R19-V119 HydrophobicContact CB-CG1 4.26Å; T115-V119 WeakPolarHBondContact O-CG2 3.41Å; T115-V119 PolarHBondContact O-N 3.33Å; F116-V119 WeakPolarHBondContact O-CB 2.99Å; F116-V119 PolarHBondContact O-N 3.27Å; F116-V119 VanDerWaalsContact O-N 3.16Å; N117-V119 VanDerWaalsContact C-N 3.31Å; N117-V119 PolarHBondContact O-N 2.86Å; V119-D121 VanDerWaalsContact C-N 3.31Å; V119-D121 PolarHBondContact O-N 2.96Å; V119-G122 PolarHBondContact O-N 3.4Å; V119-F123 HydrophobicContact CG1-CE2 3.84Å; V119-F123 HydrophobicContact CG1-CZ 4.34Å; V119-F123 WeakPolarHBondContact O-CD2 3.31Å; V119-F123 WeakPolarHBondContact O-CE2 3.46Å |
| 120 | L | 81.9 | Confident | 82.8 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -30.2 | 178 | -68.3 | -174.5 | 0 | 0 | 0 | 114.5 | L18 W97 F116 N117 R118 G122 F123 L125 | L18-L120 HydrophobicContact CD2-CD2 3.63Å; W97-L120 HydrophobicContact CB-CD1 3.54Å; W97-L120 HydrophobicContact CG-CD1 4.48Å; F116-L120 HydrophobicContact CD1-CD1 3.92Å; F116-L120 HydrophobicContact CD1-CG 4.37Å; F116-L120 HydrophobicContact CE1-CD1 3.34Å; F116-L120 HydrophobicContact CE1-CG 4.03Å; F116-L120 HydrophobicContact CZ-CD1 3.75Å; F116-L120 HydrophobicContact CZ-CD2 4.25Å; F116-L120 HydrophobicContact CZ-CG 4.14Å; F116-L120 WeakPolarHBondContact O-CG 2.98Å; F116-L120 PolarHBondContact O-N 3.32Å; N117-L120 WeakPolarHBondContact O-CA 3.35Å; N117-L120 WeakPolarHBondContact O-CB 3.28Å; N117-L120 PolarHBondContact O-N 3.18Å; R118-L120 VanDerWaalsContact C-N 3.3Å; L120-G122 PolarHBondContact O-N 3.37Å; L120-G122 VanDerWaalsContact O-N 3.12Å; L120-F123 HydrophobicContact CD2-CD2 4.15Å; L120-F123 PolarHBondContact O-N 3.02Å; L120-L125 HydrophobicContact CD1-CD1 4.46Å |
| 121 | D | 78.7 | Confident | 82.8 | Confident | 16 Ų | 16 | 39.1 Ų | 39.1 | 9% | 0.086 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.4 | 178 | -65.2 | -21.3 | 0 | 0 | 0 | 113.1 | N117 R118 V119 F123 R131 K155 | N117-D121 PolarHBondContact O-N 3.06Å; N117-D121 VanDerWaalsContact O-N 3.08Å; R118-D121 PolarHBondContact O-N 3.24Å; V119-D121 VanDerWaalsContact C-N 3.31Å; V119-D121 PolarHBondContact O-N 2.96Å; D121-F123 PolarHBondContact O-N 3.35Å; D121-R131 IonicContact OD1-CZ 3.08Å; D121-R131 IonicContact OD1-NH1 2.71Å; D121-R131 PolarHBondContact OD1-NH1 3.14Å; D121-R131 IonicContact OD1-NH2 3.85Å; D121-R131 PolarHBondContact OD1-NH2 3.1Å; D121-K155 WeakPolarHBondContact O-CE 3.19Å |
| 122 | G | 72.2 | Confident | 82.8 | Confident | 52 Ų | 52 | 35 Ų | 35 | 54% | 0.536 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -2.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V119 L120 | V119-G122 PolarHBondContact O-N 3.4Å; L120-G122 PolarHBondContact O-N 3.37Å; L120-G122 VanDerWaalsContact O-N 3.12Å |
| 123 | F | 70.6 | Confident | 83 | Confident | 30 Ų | 30 | 35.8 Ų | 35.8 | 13% | 0.132 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -123.6 | 151 | -173.4 | -49.4 | -54.1 | 0 | 0 | 0 | 112.8 | F15 L18 V119 L120 D121 L125 K155 | F15-F123 HydrophobicContact CB-CD1 4.4Å; F15-F123 HydrophobicContact CB-CE1 3.8Å; F15-F123 HydrophobicContact CB-CZ 4.07Å; F15-F123 HydrophobicContact CD1-CB 4.3Å; F15-F123 AromaticContact CD1-CD1 2.97Å; F15-F123 HydrophobicContact CD1-CD1 2.97Å; F15-F123 HydrophobicContact CD1-CD2 4.4Å; F15-F123 AromaticContact CD1-CE1 3.22Å; F15-F123 HydrophobicContact CD1-CE1 3.22Å; F15-F123 AromaticContact CD1-CG 3.63Å; F15-F123 HydrophobicContact CD1-CG 3.63Å; F15-F123 HydrophobicContact CD1-CZ 4.11Å; F15-F123 HydrophobicContact CE1-CB 3.49Å; F15-F123 VanDerWaalsContact CE1-CB 3.49Å; F15-F123 AromaticContact CE1-CD1 3.05Å; F15-F123 HydrophobicContact CE1-CD1 3.05Å; F15-F123 HydrophobicContact CE1-CD2 4.3Å; F15-F123 AromaticContact CE1-CE1 3.84Å; F15-F123 HydrophobicContact CE1-CE1 3.84Å; F15-F123 AromaticContact CE1-CG 3.33Å; F15-F123 HydrophobicContact CE1-CG 3.33Å; F15-F123 AromaticContact CG-CD1 3.92Å; F15-F123 HydrophobicContact CG-CD1 3.92Å; F15-F123 AromaticContact CG-CE1 3.84Å; F15-F123 HydrophobicContact CG-CE1 3.84Å; F15-F123 HydrophobicContact CG-CG 4.4Å; F15-F123 HydrophobicContact CG-CZ 4.34Å; F15-F123 HydrophobicContact CZ-CB 3.74Å; F15-F123 HydrophobicContact CZ-CD1 4.01Å; F15-F123 AromaticContact CZ-CG 3.84Å; F15-F123 HydrophobicContact CZ-CG 3.84Å; L18-F123 HydrophobicContact CD1-CD1 4.25Å; L18-F123 HydrophobicContact CD1-CD2 3.42Å; L18-F123 VanDerWaalsContact CD1-CD2 3.42Å; L18-F123 HydrophobicContact CD1-CE1 3.89Å; L18-F123 HydrophobicContact CD1-CE2 3.04Å; L18-F123 HydrophobicContact CD1-CG 4.04Å; L18-F123 HydrophobicContact CD1-CZ 3.29Å; L18-F123 HydrophobicContact CD2-CE2 4.37Å; L18-F123 HydrophobicContact CG-CD2 4.34Å; L18-F123 HydrophobicContact CG-CE2 3.8Å; L18-F123 HydrophobicContact CG-CZ 4.25Å; V119-F123 HydrophobicContact CG1-CE2 3.84Å; V119-F123 HydrophobicContact CG1-CZ 4.34Å; V119-F123 WeakPolarHBondContact O-CD2 3.31Å; V119-F123 WeakPolarHBondContact O-CE2 3.46Å; L120-F123 HydrophobicContact CD2-CD2 4.15Å; L120-F123 PolarHBondContact O-N 3.02Å; D121-F123 PolarHBondContact O-N 3.35Å; F123-L125 HydrophobicContact CB-CD2 4Å; F123-K155 PolarHBondContact O-NZ 3.01Å |
| 124 | L | 71.3 | Confident | 83.1 | Confident | 148 Ų | 148 | 39.5 Ų | 39.5 | 78% | 0.775 | 21% | 0.207 | S | C | * | . | trans | -95.3 | 95.8 | 172.5 | -169.6 | 70.1 | 0 | 0 | 0 | 108.7 | ||||
| 125 | L | 77.3 | Confident | 83.3 | Confident | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | trans | -84.5 | 151.6 | 179.6 | -52.2 | -173.5 | 0 | 0 | 0 | 111.4 | L120 F123 E128 | L120-L125 HydrophobicContact CD1-CD1 4.46Å; F123-L125 HydrophobicContact CB-CD2 4Å; L125-E128 HydrophobicContact CB-CB 4.16Å; L125-E128 WeakPolarHBondContact CB-OE2 3.36Å; L125-E128 WeakPolarHBondContact CD1-OE2 3.49Å; L125-E128 WeakPolarHBondContact CG-OE2 3.41Å | ||
| 126 | S | 74.6 | Confident | 83.6 | Confident | 63 Ų | 63 | 35.1 Ų | 35.1 | 44% | 0.441 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -33.2 | 176.2 | 45.5 | 0 | 0 | 0 | 0 | 113.5 | T94 E173 | T94-S126 PolarHBondContact OG1-OG 2.61Å; T94-S126 VanDerWaalsContact OG1-OG 3.07Å; S126-E173 VanDerWaalsContact O-CG 3.26Å; S126-E173 WeakPolarHBondContact O-CG 3.47Å |
| 127 | D | 81.2 | Confident | 84 | Confident | 8 Ų | 8 | 37.5 Ų | 37.5 | 4% | 0.043 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 43.9 | 178.3 | 71.6 | -36.9 | 0 | 0 | 0 | 113 | T94 W97 R98 N129 N130 R131 E173 | T94-D127 WeakPolarHBondContact CA-OD1 3.29Å; T94-D127 VanDerWaalsContact CB-OD1 3.3Å; T94-D127 WeakPolarHBondContact CB-OD1 3.13Å; T94-D127 HydrophobicContact CG2-CB 4.48Å; T94-D127 VanDerWaalsContact CG2-CG 3.47Å; T94-D127 WeakPolarHBondContact CG2-OD2 3.5Å; T94-D127 PolarHBondContact OG1-OD1 3.42Å; W97-D127 WeakPolarHBondContact CZ2-OD2 3.47Å; W97-D127 VanDerWaalsContact NE1-CG 3.28Å; W97-D127 PolarHBondContact NE1-OD1 2.75Å; W97-D127 PolarHBondContact NE1-OD2 2.88Å; R98-D127 IonicContact CZ-OD2 3.34Å; R98-D127 IonicContact NE-OD2 3.71Å; R98-D127 PolarHBondContact NE-OD2 3.14Å; R98-D127 IonicContact NH2-OD2 2.51Å; R98-D127 PolarHBondContact NH2-OD2 2.91Å; D127-N129 VanDerWaalsContact C-N 3.35Å; D127-N129 PolarHBondContact O-N 2.91Å; D127-N130 HydrophobicContact CB-CB 4.43Å; D127-N130 PolarHBondContact O-N 3.15Å; D127-R131 PolarHBondContact O-N 3Å; D127-E173 WeakPolarHBondContact CA-OE1 3.17Å; D127-E173 HydrophobicContact CB-CG 4.11Å |
| 128 | E | 83.1 | Confident | 84.3 | Confident | 16 Ų | 16 | 37.3 Ų | 37.3 | 8% | 0.075 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.2 | -38 | -175.6 | 179 | 62 | 176.1 | 0 | 0 | 114.2 | L125 N130 R131 I132 K155 E173 | L125-E128 HydrophobicContact CB-CB 4.16Å; L125-E128 WeakPolarHBondContact CB-OE2 3.36Å; L125-E128 WeakPolarHBondContact CD1-OE2 3.49Å; L125-E128 WeakPolarHBondContact CG-OE2 3.41Å; E128-N130 VanDerWaalsContact C-N 3.3Å; E128-N130 PolarHBondContact O-N 3.46Å; E128-R131 VanDerWaalsContact CD-NH2 3.28Å; E128-R131 PolarHBondContact O-N 2.99Å; E128-R131 IonicContact OE1-CZ 3.22Å; E128-R131 IonicContact OE1-NE 2.94Å; E128-R131 IonicContact OE1-NH2 3.7Å; E128-R131 PolarHBondContact OE1-NH2 2.89Å; E128-R131 IonicContact OE2-CZ 3.92Å; E128-R131 IonicContact OE2-NE 2.63Å; E128-R131 PolarHBondContact OE2-NE 3.46Å; E128-R131 IonicContact OE2-NH2 3.78Å; E128-R131 PolarHBondContact OE2-NH2 3.37Å; E128-I132 HydrophobicContact CG-CD1 4.06Å; E128-I132 WeakPolarHBondContact O-CG1 2.96Å; E128-I132 PolarHBondContact O-N 3.26Å; E128-K155 WeakPolarHBondContact OE1-CE 3.35Å; E128-K155 IonicContact OE1-NZ 3.27Å; E128-K155 PolarHBondContact OE1-NZ 3.48Å; E128-K155 IonicContact OE2-NZ 2.75Å; E128-E173 PolarHBondContact N-OE1 3.36Å |
| 129 | N | 86.2 | Confident | 84.8 | Confident | 16 Ų | 16 | 29.5 Ų | 29.5 | 9% | 0.086 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.9 | -34.7 | -179.2 | -69.1 | -62.6 | 0 | 0 | 0 | 111 | D127 I132 L133 E173 F176 V179 Q183 | D127-N129 VanDerWaalsContact C-N 3.35Å; D127-N129 PolarHBondContact O-N 2.91Å; N129-I132 PolarHBondContact O-N 3.3Å; N129-L133 WeakPolarHBondContact O-CB 3.44Å; N129-L133 PolarHBondContact O-N 2.84Å; N129-E173 VanDerWaalsContact CB-OE2 3.32Å; N129-E173 WeakPolarHBondContact CB-OE2 3.46Å; N129-E173 PolarHBondContact N-OE1 3.47Å; N129-E173 PolarHBondContact ND2-OE2 3.49Å; N129-F176 WeakPolarHBondContact ND2-CD2 3.46Å; N129-F176 WeakPolarHBondContact ND2-CE2 3.23Å; N129-V179 HydrophobicContact CB-CB 4.35Å; N129-V179 HydrophobicContact CB-CG1 3.68Å; N129-V179 WeakPolarHBondContact O-CG1 3.41Å; N129-Q183 VanDerWaalsContact C-NE2 3.33Å; N129-Q183 PolarHBondContact O-NE2 3Å; N129-Q183 PolarHBondContact OD1-NE2 2.97Å |
| 130 | N | 88.3 | Confident | 85.4 | Confident | 39 Ų | 39 | 30 Ų | 30 | 21% | 0.209 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 174.6 | -72.7 | -85.4 | 0 | 0 | 0 | 110.9 | W97 D127 E128 I132 L133 E134 E173 | W97-N130 HydrophobicContact CH2-CB 4.44Å; W97-N130 HydrophobicContact CZ2-CB 4.2Å; D127-N130 HydrophobicContact CB-CB 4.43Å; D127-N130 PolarHBondContact O-N 3.15Å; E128-N130 VanDerWaalsContact C-N 3.3Å; E128-N130 PolarHBondContact O-N 3.46Å; N130-I132 PolarHBondContact O-N 3.39Å; N130-L133 PolarHBondContact O-N 3.12Å; N130-E134 WeakPolarHBondContact O-CG 3.27Å; N130-E134 PolarHBondContact O-N 3.4Å; N130-E173 PolarHBondContact N-OE1 3.35Å; N130-E173 PolarHBondContact ND2-OE1 2.76Å |
| 131 | R | 89.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58 | -47.3 | 174.5 | -177.2 | -173.5 | 68.1 | 94.4 | -6.3 | 112.2 | W97 N117 D121 D127 E128 L133 E134 F135 | W97-R131 HydrophobicContact CD2-CB 4.03Å; W97-R131 HydrophobicContact CD2-CG 4.05Å; W97-R131 HydrophobicContact CE3-CB 4.19Å; W97-R131 HydrophobicContact CE3-CG 4Å; W97-R131 HydrophobicContact CG-CG 4.49Å; W97-R131 HydrophobicContact CH2-CB 4.11Å; W97-R131 HydrophobicContact CZ2-CB 3.92Å; W97-R131 HydrophobicContact CZ3-CB 4.23Å; W97-R131 HydrophobicContact CZ3-CG 4.36Å; N117-R131 VanDerWaalsContact CG-NH1 3.29Å; N117-R131 PolarHBondContact ND2-NH1 2.9Å; N117-R131 PolarHBondContact O-NH1 2.94Å; N117-R131 PolarHBondContact OD1-NH1 3.42Å; D121-R131 IonicContact OD1-CZ 3.08Å; D121-R131 IonicContact OD1-NH1 2.71Å; D121-R131 PolarHBondContact OD1-NH1 3.14Å; D121-R131 IonicContact OD1-NH2 3.85Å; D121-R131 PolarHBondContact OD1-NH2 3.1Å; D127-R131 PolarHBondContact O-N 3Å; E128-R131 VanDerWaalsContact CD-NH2 3.28Å; E128-R131 PolarHBondContact O-N 2.99Å; E128-R131 IonicContact OE1-CZ 3.22Å; E128-R131 IonicContact OE1-NE 2.94Å; E128-R131 IonicContact OE1-NH2 3.7Å; E128-R131 PolarHBondContact OE1-NH2 2.89Å; E128-R131 IonicContact OE2-CZ 3.92Å; E128-R131 IonicContact OE2-NE 2.63Å; E128-R131 PolarHBondContact OE2-NE 3.46Å; E128-R131 IonicContact OE2-NH2 3.78Å; E128-R131 PolarHBondContact OE2-NH2 3.37Å; R131-L133 VanDerWaalsContact C-N 3.34Å; R131-E134 PolarHBondContact O-N 3.2Å; R131-F135 WeakPolarHBondContact O-CB 3.36Å; R131-F135 PolarHBondContact O-N 2.86Å |
| 132 | I | 89.9 | Confident | 86.6 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 7% | 0.072 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 179.1 | -68.2 | 168.4 | 0 | 0 | 0 | 110.5 | E128 N129 N130 F135 I136 C151 R152 Q183 | E128-I132 HydrophobicContact CG-CD1 4.06Å; E128-I132 WeakPolarHBondContact O-CG1 2.96Å; E128-I132 PolarHBondContact O-N 3.26Å; N129-I132 PolarHBondContact O-N 3.3Å; N130-I132 PolarHBondContact O-N 3.39Å; I132-F135 PolarHBondContact O-N 3.04Å; I132-I136 HydrophobicContact CG2-CD1 3.88Å; I132-I136 HydrophobicContact CG2-CG1 4.4Å; I132-I136 VanDerWaalsContact O-CG1 3.3Å; I132-I136 WeakPolarHBondContact O-CG1 3.48Å; I132-I136 PolarHBondContact O-N 3.47Å; I132-C151 HydrophobicContact CG2-CB 4.42Å; I132-R152 HydrophobicContact CG2-CG 3.91Å; I132-Q183 HydrophobicContact CG2-CG 4.4Å |
| 133 | L | 91.8 | Very high | 87.5 | Confident | 16 Ų | 16 | 36.6 Ų | 36.6 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.9 | -48.6 | 177.8 | 178 | 60.4 | 0 | 0 | 0 | 111.5 | N129 N130 R131 F135 I136 L137 V179 L182 Q183 Y186 | N129-L133 WeakPolarHBondContact O-CB 3.44Å; N129-L133 PolarHBondContact O-N 2.84Å; N130-L133 PolarHBondContact O-N 3.12Å; R131-L133 VanDerWaalsContact C-N 3.34Å; L133-F135 VanDerWaalsContact C-N 3.29Å; L133-F135 PolarHBondContact O-N 3.37Å; L133-I136 WeakPolarHBondContact O-CB 3.19Å; L133-I136 PolarHBondContact O-N 3.31Å; L133-L137 HydrophobicContact CD1-CG 4.39Å; L133-L137 HydrophobicContact CG-CD1 4.33Å; L133-L137 WeakPolarHBondContact O-CG 3.41Å; L133-L137 PolarHBondContact O-N 3.42Å; L133-V179 HydrophobicContact CB-CG1 4.19Å; L133-V179 HydrophobicContact CD2-CG1 3.97Å; L133-L182 HydrophobicContact CD1-CB 4.07Å; L133-L182 HydrophobicContact CD2-CB 4.06Å; L133-L182 HydrophobicContact CD2-CD1 3.98Å; L133-Q183 HydrophobicContact CB-CG 4Å; L133-Q183 HydrophobicContact CD1-CG 4.26Å; L133-Y186 HydrophobicContact CD1-CD2 3.74Å; L133-Y186 HydrophobicContact CD1-CE2 4.21Å |
| 134 | E | 92.3 | Very high | 88.6 | Confident | 80 Ų | 80 | 38.3 Ų | 38.3 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.3 | -44 | 175.7 | -77.5 | -62.7 | 154.4 | 0 | 0 | 111.7 | W97 F101 N130 R131 L137 Y138 | W97-E134 HydrophobicContact CH2-CB 4.41Å; W97-E134 HydrophobicContact CH2-CG 3.95Å; W97-E134 HydrophobicContact CZ3-CB 4.16Å; W97-E134 HydrophobicContact CZ3-CG 4.03Å; F101-E134 HydrophobicContact CE1-CB 4.09Å; F101-E134 HydrophobicContact CE2-CB 4.32Å; F101-E134 HydrophobicContact CZ-CB 3.9Å; F101-E134 WeakPolarHBondContact CZ-O 3.44Å; N130-E134 WeakPolarHBondContact O-CG 3.27Å; N130-E134 PolarHBondContact O-N 3.4Å; R131-E134 PolarHBondContact O-N 3.2Å; E134-L137 PolarHBondContact O-N 2.93Å; E134-Y138 WeakPolarHBondContact O-CB 3.46Å; E134-Y138 PolarHBondContact O-N 3.47Å |
| 135 | F | 93 | Very high | 89.6 | Confident | 18 Ų | 18 | 32.5 Ų | 32.5 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.4 | -35.6 | 178.8 | -168.1 | -108 | 0 | 0 | 0 | 112.9 | F101 R114 N117 R131 I132 L133 Y138 E139 C151 | F101-F135 HydrophobicContact CE2-CB 4.33Å; F101-F135 HydrophobicContact CE2-CD2 4.13Å; R114-F135 HydrophobicContact CG-CE2 4.28Å; R114-F135 HydrophobicContact CG-CZ 4.07Å; N117-F135 HydrophobicContact CB-CD2 3.94Å; N117-F135 HydrophobicContact CB-CE2 3.78Å; N117-F135 HydrophobicContact CB-CG 4.47Å; N117-F135 HydrophobicContact CB-CZ 4.18Å; N117-F135 VanDerWaalsContact ND2-CD1 3.27Å; N117-F135 WeakPolarHBondContact ND2-CD1 3.49Å; N117-F135 WeakPolarHBondContact ND2-CE1 3.46Å; N117-F135 WeakPolarHBondContact ND2-CG 3.45Å; R131-F135 WeakPolarHBondContact O-CB 3.36Å; R131-F135 PolarHBondContact O-N 2.86Å; I132-F135 PolarHBondContact O-N 3.04Å; L133-F135 VanDerWaalsContact C-N 3.29Å; L133-F135 PolarHBondContact O-N 3.37Å; F135-Y138 HydrophobicContact CD2-CD1 4.14Å; F135-Y138 HydrophobicContact CE2-CD1 4.02Å; F135-Y138 HydrophobicContact CE2-CE1 4.31Å; F135-Y138 PolarHBondContact O-N 3.41Å; F135-E139 HydrophobicContact CD1-CG 4.49Å; F135-E139 HydrophobicContact CE1-CG 4.05Å; F135-E139 HydrophobicContact CZ-CG 4.14Å; F135-E139 WeakPolarHBondContact CZ-OE1 3.34Å; F135-E139 PolarHBondContact O-N 3.33Å; F135-C151 HydrophobicContact CD1-CB 4.29Å; F135-C151 VanDerWaalsContact CD1-SG 3.55Å |
| 136 | I | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.6 | -49.3 | 171.1 | -72.6 | 168.6 | 0 | 0 | 0 | 110.3 | I132 L133 Y138 E139 I140 V148 C151 Q183 E187 | I132-I136 HydrophobicContact CG2-CD1 3.88Å; I132-I136 HydrophobicContact CG2-CG1 4.4Å; I132-I136 VanDerWaalsContact O-CG1 3.3Å; I132-I136 WeakPolarHBondContact O-CG1 3.48Å; I132-I136 PolarHBondContact O-N 3.47Å; L133-I136 WeakPolarHBondContact O-CB 3.19Å; L133-I136 PolarHBondContact O-N 3.31Å; I136-Y138 VanDerWaalsContact C-N 3.27Å; I136-Y138 PolarHBondContact O-N 3.25Å; I136-E139 PolarHBondContact O-N 3.35Å; I136-I140 HydrophobicContact CG2-CD1 3.83Å; I136-I140 HydrophobicContact CG2-CG1 4.49Å; I136-I140 WeakPolarHBondContact O-CG1 3.47Å; I136-I140 PolarHBondContact O-N 3.05Å; I136-V148 HydrophobicContact CB-CG1 4.5Å; I136-V148 HydrophobicContact CG1-CG1 4.22Å; I136-V148 HydrophobicContact CG2-CG1 3.75Å; I136-C151 HydrophobicContact CD1-CB 4.34Å; I136-C151 HydrophobicContact CG1-CB 3.69Å; I136-Q183 HydrophobicContact CD1-CB 4.13Å; I136-Q183 HydrophobicContact CD1-CG 4.16Å; I136-E187 HydrophobicContact CD1-CG 4.32Å |
| 137 | L | 94.5 | Very high | 91.1 | Very high | 56 Ų | 56 | 35.4 Ų | 35.4 | 29% | 0.293 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.7 | -40.6 | 178.4 | -68.6 | 175.1 | 0 | 0 | 0 | 111.4 | L133 E134 I140 S141 Y186 | L133-L137 HydrophobicContact CD1-CG 4.39Å; L133-L137 HydrophobicContact CG-CD1 4.33Å; L133-L137 WeakPolarHBondContact O-CG 3.41Å; L133-L137 PolarHBondContact O-N 3.42Å; E134-L137 PolarHBondContact O-N 2.93Å; L137-I140 PolarHBondContact O-N 2.82Å; L137-S141 WeakPolarHBondContact O-CB 3.19Å; L137-S141 PolarHBondContact O-N 3.43Å; L137-Y186 HydrophobicContact CD2-CD1 3.83Å; L137-Y186 HydrophobicContact CD2-CD2 3.95Å; L137-Y186 HydrophobicContact CD2-CE1 3.56Å; L137-Y186 HydrophobicContact CD2-CE2 3.71Å; L137-Y186 HydrophobicContact CD2-CG 4.02Å; L137-Y186 VanDerWaalsContact CD2-CZ 3.49Å |
| 138 | Y | 94.2 | Very high | 91.5 | Very high | 5 Ų | 5 | 35 Ų | 35 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.3 | -50.9 | 174.7 | 167.8 | -96.3 | 0 | 0 | 0 | 112.5 | F101 Q105 D110 L113 E134 F135 I136 I140 S141 K142 | F101-Y138 HydrophobicContact CZ-CG 4.32Å; Q105-Y138 HydrophobicContact CG-CD2 4.28Å; D110-Y138 VanDerWaalsContact CA-OH 3.26Å; D110-Y138 WeakPolarHBondContact CA-OH 3.5Å; D110-Y138 WeakPolarHBondContact CB-OH 3.41Å; D110-Y138 PolarHBondContact OD1-OH 2.67Å; L113-Y138 HydrophobicContact CD2-CD1 4.02Å; L113-Y138 HydrophobicContact CD2-CD2 3.77Å; L113-Y138 HydrophobicContact CD2-CE1 3.87Å; L113-Y138 HydrophobicContact CD2-CE2 3.59Å; L113-Y138 HydrophobicContact CD2-CG 3.98Å; E134-Y138 WeakPolarHBondContact O-CB 3.46Å; E134-Y138 PolarHBondContact O-N 3.47Å; F135-Y138 HydrophobicContact CD2-CD1 4.14Å; F135-Y138 HydrophobicContact CE2-CD1 4.02Å; F135-Y138 HydrophobicContact CE2-CE1 4.31Å; F135-Y138 PolarHBondContact O-N 3.41Å; I136-Y138 VanDerWaalsContact C-N 3.27Å; I136-Y138 PolarHBondContact O-N 3.25Å; Y138-I140 VanDerWaalsContact C-N 3.3Å; Y138-I140 PolarHBondContact O-N 3.15Å; Y138-S141 WeakPolarHBondContact O-CB 3.34Å; Y138-S141 PolarHBondContact O-N 3.38Å; Y138-S141 VanDerWaalsContact O-N 3.11Å; Y138-S141 PolarHBondContact O-OG 3.16Å; Y138-K142 HydrophobicContact CD2-CG 4.44Å; Y138-K142 HydrophobicContact CE1-CG 4.34Å; Y138-K142 HydrophobicContact CE2-CD 4.38Å; Y138-K142 VanDerWaalsContact CE2-CE 3.46Å; Y138-K142 HydrophobicContact CE2-CG 3.98Å; Y138-K142 WeakPolarHBondContact O-CG 3.48Å; Y138-K142 PolarHBondContact O-N 2.94Å; Y138-K142 VanDerWaalsContact O-N 3.09Å |
| 139 | E | 94.5 | Very high | 91.6 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -34.7 | 179.3 | -69.6 | -62.7 | 164.6 | 0 | 0 | 112.1 | R114 F135 I136 K142 G143 N144 A147 V148 | R114-E139 IonicContact CZ-OE1 3.26Å; R114-E139 IonicContact CZ-OE2 2.73Å; R114-E139 IonicContact NE-OE1 3.48Å; R114-E139 PolarHBondContact NE-OE1 3.14Å; R114-E139 IonicContact NE-OE2 3.53Å; R114-E139 IonicContact NH2-OE1 2.97Å; R114-E139 PolarHBondContact NH2-OE1 3.16Å; R114-E139 IonicContact NH2-OE2 2.96Å; R114-E139 PolarHBondContact NH2-OE2 3.33Å; R114-E139 VanDerWaalsContact NH2-OE2 3.11Å; F135-E139 HydrophobicContact CD1-CG 4.49Å; F135-E139 HydrophobicContact CE1-CG 4.05Å; F135-E139 HydrophobicContact CZ-CG 4.14Å; F135-E139 WeakPolarHBondContact CZ-OE1 3.34Å; F135-E139 PolarHBondContact O-N 3.33Å; I136-E139 PolarHBondContact O-N 3.35Å; E139-K142 PolarHBondContact O-N 2.95Å; E139-G143 PolarHBondContact O-N 2.88Å; E139-N144 HydrophobicContact CB-CB 4.38Å; E139-N144 PolarHBondContact O-N 3.27Å; E139-N144 WeakPolarHBondContact OE2-CB 3.47Å; E139-N144 PolarHBondContact OE2-ND2 2.74Å; E139-A147 HydrophobicContact CB-CB 4.46Å; E139-A147 HydrophobicContact CG-CB 4.17Å; E139-V148 HydrophobicContact CB-CG2 4.15Å |
| 140 | I | 94.2 | Very high | 91.5 | Very high | 38 Ų | 38 | 40.9 Ų | 40.9 | 20% | 0.195 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 171.5 | -68.4 | 172.6 | 0 | 0 | 0 | 110.8 | I136 L137 Y138 K142 G143 L145 V148 Y186 | I136-I140 HydrophobicContact CG2-CD1 3.83Å; I136-I140 HydrophobicContact CG2-CG1 4.49Å; I136-I140 WeakPolarHBondContact O-CG1 3.47Å; I136-I140 PolarHBondContact O-N 3.05Å; L137-I140 PolarHBondContact O-N 2.82Å; Y138-I140 VanDerWaalsContact C-N 3.3Å; Y138-I140 PolarHBondContact O-N 3.15Å; I140-K142 PolarHBondContact O-N 2.89Å; I140-G143 PolarHBondContact O-N 3.32Å; I140-L145 HydrophobicContact CG1-CD2 4.35Å; I140-V148 HydrophobicContact CD1-CG2 4.48Å; I140-V148 HydrophobicContact CG1-CG2 3.76Å; I140-Y186 HydrophobicContact CD1-CD1 3.95Å; I140-Y186 HydrophobicContact CD1-CG 4.37Å |
| 141 | S | 92.9 | Very high | 91.3 | Very high | 88 Ų | 88 | 39.4 Ų | 39.4 | 62% | 0.615 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -61 | -28.7 | 178.6 | 79.5 | 0 | 0 | 0 | 0 | 113.1 | L137 Y138 G143 | L137-S141 WeakPolarHBondContact O-CB 3.19Å; L137-S141 PolarHBondContact O-N 3.43Å; Y138-S141 WeakPolarHBondContact O-CB 3.34Å; Y138-S141 PolarHBondContact O-N 3.38Å; Y138-S141 VanDerWaalsContact O-N 3.11Å; Y138-S141 PolarHBondContact O-OG 3.16Å; S141-G143 VanDerWaalsContact C-N 3.34Å |
| 142 | K | 92.5 | Very high | 90.7 | Very high | 84 Ų | 84 | 43.2 Ų | 43.2 | 37% | 0.365 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -5.1 | 175.4 | -63.9 | -66.2 | 179.9 | 156.1 | 0 | 113.7 | D110 Y138 E139 I140 N144 | D110-K142 WeakPolarHBondContact OD1-CE 3.44Å; D110-K142 IonicContact OD1-NZ 2.88Å; D110-K142 PolarHBondContact OD1-NZ 3.25Å; D110-K142 WeakPolarHBondContact OD2-CE 3.23Å; D110-K142 IonicContact OD2-NZ 3.62Å; D110-K142 PolarHBondContact OD2-NZ 3.41Å; Y138-K142 HydrophobicContact CD2-CG 4.44Å; Y138-K142 HydrophobicContact CE1-CG 4.34Å; Y138-K142 HydrophobicContact CE2-CD 4.38Å; Y138-K142 VanDerWaalsContact CE2-CE 3.46Å; Y138-K142 HydrophobicContact CE2-CG 3.98Å; Y138-K142 WeakPolarHBondContact O-CG 3.48Å; Y138-K142 PolarHBondContact O-N 2.94Å; Y138-K142 VanDerWaalsContact O-N 3.09Å; E139-K142 PolarHBondContact O-N 2.95Å; I140-K142 PolarHBondContact O-N 2.89Å; K142-N144 VanDerWaalsContact C-N 3.28Å; K142-N144 PolarHBondContact O-N 3.4Å |
| 143 | G | 92.1 | Very high | 89.4 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 39% | 0.392 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 8.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E139 I140 S141 L145 | E139-G143 PolarHBondContact O-N 2.88Å; I140-G143 PolarHBondContact O-N 3.32Å; S141-G143 VanDerWaalsContact C-N 3.34Å; G143-L145 VanDerWaalsContact C-N 3.27Å; G143-L145 PolarHBondContact O-N 3.12Å |
| 144 | N | 92.8 | Very high | 87.8 | Confident | 66 Ų | 66 | 50.3 Ų | 50.3 | 35% | 0.353 | 27% | 0.273 | S | S | . | . | trans | -86.4 | 58.9 | -177.6 | -70.1 | -21.2 | 0 | 0 | 0 | 112.1 | R114 E139 K142 N146 A147 | R114-N144 PolarHBondContact NH2-ND2 3.27Å; E139-N144 HydrophobicContact CB-CB 4.38Å; E139-N144 PolarHBondContact O-N 3.27Å; E139-N144 WeakPolarHBondContact OE2-CB 3.47Å; E139-N144 PolarHBondContact OE2-ND2 2.74Å; K142-N144 VanDerWaalsContact C-N 3.28Å; K142-N144 PolarHBondContact O-N 3.4Å; N144-N146 PolarHBondContact O-N 3.47Å; N144-N146 VanDerWaalsContact O-N 3.17Å; N144-A147 HydrophobicContact CB-CB 4.27Å; N144-A147 WeakPolarHBondContact O-CB 3.46Å; N144-A147 PolarHBondContact O-N 3.06Å | ||
| 145 | L | 92.7 | Very high | 86 | Confident | 25 Ų | 25 | 49.3 Ų | 49.3 | 13% | 0.131 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.2 | -35.1 | -173.6 | -54.5 | -177.4 | 0 | 0 | 0 | 113 | I140 G143 A147 V148 M194 | I140-L145 HydrophobicContact CG1-CD2 4.35Å; G143-L145 VanDerWaalsContact C-N 3.27Å; G143-L145 PolarHBondContact O-N 3.12Å; L145-A147 PolarHBondContact O-N 3.47Å; L145-V148 WeakPolarHBondContact O-CB 3.3Å; L145-V148 PolarHBondContact O-N 3.04Å; L145-M194 HydrophobicContact CB-CG 3.65Å; L145-M194 HydrophobicContact CB-SD 4.22Å; L145-M194 HydrophobicContact CD1-CG 4.21Å |
| 146 | N | 91.8 | Very high | 83.7 | Confident | 98 Ų | 98 | 56.5 Ų | 56.5 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.5 | -26.3 | 179.5 | -58 | 1.7 | 0 | 0 | 0 | 113 | N144 Q149 F150 M194 | N144-N146 PolarHBondContact O-N 3.47Å; N144-N146 VanDerWaalsContact O-N 3.17Å; N146-Q149 PolarHBondContact O-NE2 2.82Å; N146-F150 WeakPolarHBondContact O-CD2 3.38Å; N146-F150 VanDerWaalsContact O-CE2 3.28Å; N146-F150 WeakPolarHBondContact O-CE2 3.36Å; N146-M194 WeakPolarHBondContact OD1-CE 3.38Å; N146-M194 PolarHBondContact OD1-SD 3.14Å |
| 147 | A | 90.8 | Very high | 81.3 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 28% | 0.281 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -76.2 | -26.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E139 N144 L145 Q149 F150 | E139-A147 HydrophobicContact CB-CB 4.46Å; E139-A147 HydrophobicContact CG-CB 4.17Å; N144-A147 HydrophobicContact CB-CB 4.27Å; N144-A147 WeakPolarHBondContact O-CB 3.46Å; N144-A147 PolarHBondContact O-N 3.06Å; L145-A147 PolarHBondContact O-N 3.47Å; A147-Q149 VanDerWaalsContact C-N 3.32Å; A147-Q149 PolarHBondContact O-N 3.21Å; A147-F150 WeakPolarHBondContact O-CB 3.42Å; A147-F150 PolarHBondContact O-N 3.28Å |
| 148 | V | 90.2 | Very high | 79 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.3 | -40.8 | -172.7 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | I136 E139 I140 L145 F150 C151 E187 S190 | I136-V148 HydrophobicContact CB-CG1 4.5Å; I136-V148 HydrophobicContact CG1-CG1 4.22Å; I136-V148 HydrophobicContact CG2-CG1 3.75Å; E139-V148 HydrophobicContact CB-CG2 4.15Å; I140-V148 HydrophobicContact CD1-CG2 4.48Å; I140-V148 HydrophobicContact CG1-CG2 3.76Å; L145-V148 WeakPolarHBondContact O-CB 3.3Å; L145-V148 PolarHBondContact O-N 3.04Å; V148-F150 PolarHBondContact O-N 3.13Å; V148-F150 VanDerWaalsContact O-N 3.17Å; V148-C151 WeakPolarHBondContact O-CB 3.47Å; V148-C151 PolarHBondContact O-N 3.4Å; V148-C151 VanDerWaalsContact O-N 3.14Å; V148-C151 PolarHBondContact O-SG 2.87Å; V148-E187 HydrophobicContact CG1-CB 4.45Å; V148-E187 HydrophobicContact CG1-CG 3.93Å; V148-S190 WeakPolarHBondContact CG1-OG 3.36Å |
| 149 | Q | 85 | Confident | 76.3 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 26% | 0.262 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23.6 | 178.7 | 72.3 | -173.8 | -37.4 | 0 | 0 | 113.6 | N146 A147 T153 F191 | N146-Q149 PolarHBondContact O-NE2 2.82Å; A147-Q149 VanDerWaalsContact C-N 3.32Å; A147-Q149 PolarHBondContact O-N 3.21Å; Q149-T153 PolarHBondContact O-OG1 2.89Å; Q149-F191 HydrophobicContact CB-CE1 4.05Å; Q149-F191 HydrophobicContact CB-CZ 3.77Å |
| 150 | F | 84.9 | Confident | 73.6 | Confident | 100 Ų | 100 | 83.7 Ų | 83.7 | 44% | 0.439 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -87.6 | -14.4 | -178.8 | -57.2 | -68.3 | 0 | 0 | 0 | 112.7 | N146 A147 V148 R152 T153 N154 | N146-F150 WeakPolarHBondContact O-CD2 3.38Å; N146-F150 VanDerWaalsContact O-CE2 3.28Å; N146-F150 WeakPolarHBondContact O-CE2 3.36Å; A147-F150 WeakPolarHBondContact O-CB 3.42Å; A147-F150 PolarHBondContact O-N 3.28Å; V148-F150 PolarHBondContact O-N 3.13Å; V148-F150 VanDerWaalsContact O-N 3.17Å; F150-R152 PolarHBondContact O-N 2.86Å; F150-T153 WeakPolarHBondContact CA-OG1 3.47Å; F150-T153 PolarHBondContact O-N 3.36Å; F150-N154 PolarHBondContact O-N 3.31Å; F150-N154 PolarHBondContact O-ND2 3.44Å |
| 151 | C | 84.5 | Confident | 70.9 | Confident | 7 Ų | 7 | 86.9 Ų | 86.9 | 5% | 0.047 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60.7 | -31.3 | -178.7 | -61.2 | 0 | 0 | 0 | 0 | 112.8 | I132 F135 I136 V148 | I132-C151 HydrophobicContact CG2-CB 4.42Å; F135-C151 HydrophobicContact CD1-CB 4.29Å; F135-C151 VanDerWaalsContact CD1-SG 3.55Å; I136-C151 HydrophobicContact CD1-CB 4.34Å; I136-C151 HydrophobicContact CG1-CB 3.69Å; V148-C151 WeakPolarHBondContact O-CB 3.47Å; V148-C151 PolarHBondContact O-N 3.4Å; V148-C151 VanDerWaalsContact O-N 3.14Å; V148-C151 PolarHBondContact O-SG 2.87Å |
| 152 | R | 77.1 | Confident | 68.3 | Low | 80 Ų | 80 | 91.5 Ų | 91.5 | 30% | 0.302 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -91.7 | -34.2 | 175.4 | -70.7 | 176.6 | 78.7 | -166.8 | -3.4 | 113.9 | I132 F150 E187 | I132-R152 HydrophobicContact CG2-CG 3.91Å; F150-R152 PolarHBondContact O-N 2.86Å; R152-E187 WeakPolarHBondContact CD-OE1 3.48Å; R152-E187 VanDerWaalsContact CG-OE1 3.3Å; R152-E187 WeakPolarHBondContact CG-OE1 3.37Å; R152-E187 IonicContact NH1-OE1 3.14Å; R152-E187 IonicContact NH1-OE2 3.36Å; R152-E187 PolarHBondContact NH1-OE2 3.29Å; R152-E187 VanDerWaalsContact NH1-OE2 3.16Å |
| 153 | T | 62.6 | Low | 65.8 | Low | 92 Ų | 92 | 96.8 Ų | 96.8 | 56% | 0.564 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -83.8 | -17.3 | -168.9 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | Q149 F150 K155 | Q149-T153 PolarHBondContact O-OG1 2.89Å; F150-T153 WeakPolarHBondContact CA-OG1 3.47Å; F150-T153 PolarHBondContact O-N 3.36Å; T153-K155 PolarHBondContact O-N 3.33Å |
| 154 | N | 56.8 | Low | 63.5 | Low | 88 Ų | 88 | 97.7 Ų | 97.7 | 47% | 0.471 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -7.5 | 179 | -75 | -17.9 | 0 | 0 | 0 | 114.6 | F150 Q156 | F150-N154 PolarHBondContact O-N 3.31Å; F150-N154 PolarHBondContact O-ND2 3.44Å; N154-Q156 PolarHBondContact O-N 3.05Å; N154-Q156 VanDerWaalsContact O-N 3.07Å |
| 155 | K | 55.4 | Low | 61 | Low | 59 Ų | 59 | 98.4 Ų | 98.4 | 26% | 0.257 | 49% | 0.488 | S | S | . | . | trans | -76 | 96.5 | 164.6 | -74.4 | -163.8 | 157.4 | -179.4 | 0 | 109.4 | D121 F123 E128 T153 | D121-K155 WeakPolarHBondContact O-CE 3.19Å; F123-K155 PolarHBondContact O-NZ 3.01Å; E128-K155 WeakPolarHBondContact OE1-CE 3.35Å; E128-K155 IonicContact OE1-NZ 3.27Å; E128-K155 PolarHBondContact OE1-NZ 3.48Å; E128-K155 IonicContact OE2-NZ 2.75Å; T153-K155 PolarHBondContact O-N 3.33Å | ||
| 156 | Q | 44.7 | Very low | 58.5 | Low | 168 Ų | 168 | 104.4 Ų | 104.4 | 79% | 0.785 | 52% | 0.52 | S | S | * | . | trans | -47 | 130.8 | 153 | -70.9 | -150.3 | -7.6 | 0 | 0 | 106.9 | N154 I158 | N154-Q156 PolarHBondContact O-N 3.05Å; N154-Q156 VanDerWaalsContact O-N 3.07Å; Q156-I158 PolarHBondContact O-N 3.31Å | ||
| 157 | P | 42.5 | Very low | 55.8 | Low | 118 Ų | 118 | 107.2 Ų | 107.2 | 77% | 0.766 | 53% | 0.53 | S | S | * | . | trans | -59.6 | 100.1 | 173 | 24.7 | -30.4 | 0 | 0 | 0 | 105.3 | Q159 | P157-Q159 VanDerWaalsContact C-N 3.26Å; P157-Q159 PolarHBondContact O-N 2.97Å | ||
| 158 | I | 45.9 | Very low | 53.2 | Low | 112 Ų | 112 | 111.7 Ų | 111.7 | 57% | 0.574 | 55% | 0.553 | S | S | * | * | trans | -50.4 | 109.5 | 162 | -63.8 | 170.5 | 0 | 0 | 0 | 101.7 | Q156 R160 | Q156-I158 PolarHBondContact O-N 3.31Å; I158-R160 PolarHBondContact O-N 3.09Å | ||
| 159 | Q | 38.4 | Very low | 50.8 | Low | 167 Ų | 167 | 115.9 Ų | 115.9 | 78% | 0.78 | 58% | 0.579 | S | S | * | * | trans | -37.1 | 115.5 | -176.1 | -79.3 | -179.1 | -10.8 | 0 | 0 | 105.6 | P157 N161 | P157-Q159 VanDerWaalsContact C-N 3.26Å; P157-Q159 PolarHBondContact O-N 2.97Å; Q159-N161 WeakPolarHBondContact O-CA 3.5Å; Q159-N161 PolarHBondContact O-N 3.26Å | ||
| 160 | R | 37.2 | Very low | 48.9 | Very low | 240 Ų | 240 | 119 Ų | 119 | 91% | 0.906 | 60% | 0.597 | S | S | * | * | trans | -51.4 | 93.4 | 180 | -86.2 | 179.3 | 171.5 | 157.6 | -3.4 | 105.2 | I158 K162 | I158-R160 PolarHBondContact O-N 3.09Å; R160-K162 PolarHBondContact O-N 3.47Å | ||
| 161 | N | 38.1 | Very low | 47.3 | Very low | 105 Ų | 105 | 117.3 Ų | 117.3 | 56% | 0.561 | 60% | 0.595 | S | S | * | * | trans | -61.1 | 137.9 | -171.4 | -130.4 | -26.9 | 0 | 0 | 0 | 103 | Q159 Y163 A164 | Q159-N161 WeakPolarHBondContact O-CA 3.5Å; Q159-N161 PolarHBondContact O-N 3.26Å; N161-Y163 PolarHBondContact O-N 3.44Å; N161-A164 WeakPolarHBondContact O-CB 3.16Å; N161-A164 PolarHBondContact O-N 3.16Å | ||
| 162 | K | 38.7 | Very low | 45.8 | Very low | 185 Ų | 185 | 127 Ų | 127 | 80% | 0.804 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -0.5 | -178.3 | -84.5 | 179.9 | 172.7 | 178 | 0 | 114.1 | R160 S165 | R160-K162 PolarHBondContact O-N 3.47Å; K162-S165 PolarHBondContact O-OG 3.46Å; K162-S165 VanDerWaalsContact O-OG 3.13Å |
| 163 | Y | 40.9 | Very low | 45.2 | Very low | 194 Ų | 194 | 123.8 Ų | 123.8 | 76% | 0.761 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -9.2 | 178.2 | -52.4 | -74 | 0 | 0 | 0 | 114.5 | N161 S165 | N161-Y163 PolarHBondContact O-N 3.44Å; Y163-S165 VanDerWaalsContact C-N 3.29Å |
| 164 | A | 43.6 | Very low | 45.3 | Very low | 57 Ų | 57 | 124.3 Ų | 124.3 | 47% | 0.471 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -78.5 | -15.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N161 L166 H167 | N161-A164 WeakPolarHBondContact O-CB 3.16Å; N161-A164 PolarHBondContact O-N 3.16Å; A164-L166 PolarHBondContact O-N 3Å; A164-H167 PolarHBondContact O-N 3.24Å |
| 165 | S | 39.9 | Very low | 46.3 | Very low | 81 Ų | 81 | 126.8 Ų | 126.8 | 57% | 0.566 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -66.4 | -11.9 | 176 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | K162 Y163 | K162-S165 PolarHBondContact O-OG 3.46Å; K162-S165 VanDerWaalsContact O-OG 3.13Å; Y163-S165 VanDerWaalsContact C-N 3.29Å |
| 166 | L | 39.2 | Very low | 47.4 | Very low | 152 Ų | 152 | 127.4 Ų | 127.4 | 80% | 0.796 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -100.5 | -2.1 | 174.3 | -115.7 | 84.1 | 0 | 0 | 0 | 114.4 | A164 | A164-L166 PolarHBondContact O-N 3Š|
| 167 | H | 35.6 | Very low | 49.2 | Very low | 157 Ų | 157 | 122.8 Ų | 122.8 | 73% | 0.727 | 63% | 0.625 | S | S | * | * | trans | -107.7 | 41.2 | 175.2 | -103.6 | -72.6 | 0 | 0 | 0 | 111.7 | A164 V169 | A164-H167 PolarHBondContact O-N 3.24Å; H167-V169 PolarHBondContact O-N 3.11Å | ||
| 168 | T | 36.1 | Very low | 51.3 | Low | 127 Ų | 127 | 121 Ų | 121 | 78% | 0.779 | 61% | 0.607 | S | S | * | * | trans | -60.3 | 18.6 | 165.1 | 32.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 169 | V | 39.2 | Very low | 53.3 | Low | 88 Ų | 88 | 116 Ų | 116 | 53% | 0.533 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -138.7 | 106.6 | -168.3 | 173.5 | 0 | 0 | 0 | 0 | 106.6 | H167 | H167-V169 PolarHBondContact O-N 3.11Š|
| 170 | L | 46.4 | Very low | 55.6 | Low | 123 Ų | 123 | 110.3 Ų | 110.3 | 64% | 0.644 | 56% | 0.555 | S | S | * | * | trans | 88.8 | 84.4 | 149 | -50.9 | 161 | 0 | 0 | 0 | 117.4 | R172 | L170-R172 VanDerWaalsContact C-N 3.28Å; L170-R172 HydrophobicContact CB-CG 3.92Å; L170-R172 PolarHBondContact O-N 2.88Å; L170-R172 VanDerWaalsContact O-N 3.11Å | ||
| 171 | T | 50.8 | Low | 58.1 | Low | 64 Ų | 64 | 101.2 Ų | 101.2 | 39% | 0.393 | 52% | 0.52 | S | S | . | . | -56.2 | 109.7 | 121.9 | 48.4 | 0 | 0 | 0 | 0 | 105.9 | E173 F176 | T171-E173 PolarHBondContact O-N 3.34Å; T171-F176 HydrophobicContact CG2-CD2 3.78Å; T171-F176 HydrophobicContact CG2-CE2 3.65Å; T171-F176 WeakPolarHBondContact OG1-CD2 3.43Å | |||
| 172 | R | 53.6 | Low | 60.7 | Low | 209 Ų | 209 | 98 Ų | 98 | 79% | 0.789 | 50% | 0.503 | S | S | * | . | trans | -72.2 | 15.7 | 169.6 | -69.1 | -171.6 | 177.2 | -177 | -1.5 | 111.6 | L170 P174 | L170-R172 VanDerWaalsContact C-N 3.28Å; L170-R172 HydrophobicContact CB-CG 3.92Å; L170-R172 PolarHBondContact O-N 2.88Å; L170-R172 VanDerWaalsContact O-N 3.11Å; R172-P174 WeakPolarHBondContact O-CD 3.08Å | ||
| 173 | E | 64 | Low | 63.2 | Low | 13 Ų | 13 | 89.3 Ų | 89.3 | 6% | 0.061 | 47% | 0.465 | C | S | . | . | trans | -65.2 | 121.8 | 177.6 | -69.7 | -173.3 | 130.8 | 0 | 0 | 108.9 | S126 D127 E128 N129 N130 T171 E175 F176 | S126-E173 VanDerWaalsContact O-CG 3.26Å; S126-E173 WeakPolarHBondContact O-CG 3.47Å; D127-E173 WeakPolarHBondContact CA-OE1 3.17Å; D127-E173 HydrophobicContact CB-CG 4.11Å; E128-E173 PolarHBondContact N-OE1 3.36Å; N129-E173 VanDerWaalsContact CB-OE2 3.32Å; N129-E173 WeakPolarHBondContact CB-OE2 3.46Å; N129-E173 PolarHBondContact N-OE1 3.47Å; N129-E173 PolarHBondContact ND2-OE2 3.49Å; N130-E173 PolarHBondContact N-OE1 3.35Å; N130-E173 PolarHBondContact ND2-OE1 2.76Å; T171-E173 PolarHBondContact O-N 3.34Å; E173-E175 PolarHBondContact O-N 2.85Å; E173-F176 HydrophobicContact CB-CB 4.39Å; E173-F176 WeakPolarHBondContact OE2-CD2 3.38Å | ||
| 174 | P | 65.1 | Low | 65.7 | Low | 103 Ų | 103 | 82.8 Ų | 82.8 | 67% | 0.669 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 140.5 | 162 | 28 | -32.3 | 0 | 0 | 0 | 107.8 | R172 F176 | R172-P174 WeakPolarHBondContact O-CD 3.08Å; P174-F176 VanDerWaalsContact C-N 3.27Å; P174-F176 PolarHBondContact O-N 2.93Å |
| 175 | E | 77.1 | Confident | 68.1 | Low | 141 Ų | 141 | 80.1 Ų | 80.1 | 66% | 0.659 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 28.5 | 170.6 | -47 | 179.8 | 167.3 | 0 | 0 | 115.2 | E173 A177 H178 V179 | E173-E175 PolarHBondContact O-N 2.85Å; E175-A177 VanDerWaalsContact C-N 3.25Å; E175-A177 PolarHBondContact O-N 2.86Å; E175-H178 HydrophobicContact CB-CB 3.89Å; E175-H178 WeakPolarHBondContact O-CA 3.38Å; E175-H178 VanDerWaalsContact O-CB 3.24Å; E175-H178 WeakPolarHBondContact O-CB 3.39Å; E175-H178 PolarHBondContact O-N 3.08Å; E175-H178 IonicContact OE2-CD2 3.71Å; E175-V179 PolarHBondContact O-N 3.15Å |
| 176 | F | 79.1 | Confident | 70.8 | Confident | 72 Ų | 72 | 78.6 Ų | 78.6 | 32% | 0.316 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -40.3 | -49.8 | 179 | 172.5 | -91.1 | 0 | 0 | 0 | 114.1 | N129 T171 E173 P174 H178 V179 Q180 | N129-F176 WeakPolarHBondContact ND2-CD2 3.46Å; N129-F176 WeakPolarHBondContact ND2-CE2 3.23Å; T171-F176 HydrophobicContact CG2-CD2 3.78Å; T171-F176 HydrophobicContact CG2-CE2 3.65Å; T171-F176 WeakPolarHBondContact OG1-CD2 3.43Å; E173-F176 HydrophobicContact CB-CB 4.39Å; E173-F176 WeakPolarHBondContact OE2-CD2 3.38Å; P174-F176 VanDerWaalsContact C-N 3.27Å; P174-F176 PolarHBondContact O-N 2.93Å; F176-H178 VanDerWaalsContact C-N 3.34Å; F176-H178 PolarHBondContact O-N 2.95Å; F176-V179 PolarHBondContact O-N 2.81Å; F176-Q180 VanDerWaalsContact CE1-CD 3.44Å; F176-Q180 HydrophobicContact CE1-CG 4.34Å; F176-Q180 VanDerWaalsContact CE1-OE1 3.24Å; F176-Q180 HydrophobicContact CZ-CG 4.32Å; F176-Q180 WeakPolarHBondContact O-CG 3.27Å; F176-Q180 PolarHBondContact O-N 3.38Å |
| 177 | A | 82.1 | Confident | 73.4 | Confident | 70 Ų | 70 | 71.6 Ų | 71.6 | 58% | 0.579 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.9 | -37.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E175 R181 | E175-A177 VanDerWaalsContact C-N 3.25Å; E175-A177 PolarHBondContact O-N 2.86Å; A177-R181 WeakPolarHBondContact O-CB 3.36Å; A177-R181 PolarHBondContact O-N 3.22Å |
| 178 | H | 86.1 | Confident | 76.2 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.6 | -48.2 | 176.1 | -175.5 | 74.1 | 0 | 0 | 0 | 111 | E175 F176 Q180 R181 L182 | E175-H178 HydrophobicContact CB-CB 3.89Å; E175-H178 WeakPolarHBondContact O-CA 3.38Å; E175-H178 VanDerWaalsContact O-CB 3.24Å; E175-H178 WeakPolarHBondContact O-CB 3.39Å; E175-H178 PolarHBondContact O-N 3.08Å; E175-H178 IonicContact OE2-CD2 3.71Å; F176-H178 VanDerWaalsContact C-N 3.34Å; F176-H178 PolarHBondContact O-N 2.95Å; H178-Q180 VanDerWaalsContact C-N 3.33Å; H178-Q180 PolarHBondContact O-N 2.65Å; H178-R181 WeakPolarHBondContact O-CB 3.39Å; H178-R181 PolarHBondContact O-N 2.92Å; H178-R181 VanDerWaalsContact O-N 3.13Å; H178-L182 PolarHBondContact O-N 2.82Å |
| 179 | V | 87.8 | Confident | 79.1 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 179 | -178.8 | 0 | 0 | 0 | 0 | 111 | N129 L133 E175 F176 R181 L182 Q183 | N129-V179 HydrophobicContact CB-CB 4.35Å; N129-V179 HydrophobicContact CB-CG1 3.68Å; N129-V179 WeakPolarHBondContact O-CG1 3.41Å; L133-V179 HydrophobicContact CB-CG1 4.19Å; L133-V179 HydrophobicContact CD2-CG1 3.97Å; E175-V179 PolarHBondContact O-N 3.15Å; F176-V179 PolarHBondContact O-N 2.81Å; V179-R181 VanDerWaalsContact C-N 3.35Å; V179-R181 PolarHBondContact O-N 3.31Å; V179-L182 PolarHBondContact O-N 2.9Å; V179-Q183 WeakPolarHBondContact O-CG 3.5Å; V179-Q183 PolarHBondContact O-N 3.01Å |
| 180 | Q | 88.1 | Confident | 81.8 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 23% | 0.229 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65 | -36.7 | 175.7 | -73.2 | -166.2 | -26.1 | 0 | 0 | 113.3 | F176 H178 R184 | F176-Q180 VanDerWaalsContact CE1-CD 3.44Å; F176-Q180 HydrophobicContact CE1-CG 4.34Å; F176-Q180 VanDerWaalsContact CE1-OE1 3.24Å; F176-Q180 HydrophobicContact CZ-CG 4.32Å; F176-Q180 WeakPolarHBondContact O-CG 3.27Å; F176-Q180 PolarHBondContact O-N 3.38Å; H178-Q180 VanDerWaalsContact C-N 3.33Å; H178-Q180 PolarHBondContact O-N 2.65Å; Q180-R184 WeakPolarHBondContact O-CG 3.06Å; Q180-R184 PolarHBondContact O-N 3.37Å; Q180-R184 VanDerWaalsContact O-N 3.13Å |
| 181 | R | 89.7 | Confident | 84.1 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 18% | 0.181 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 173.7 | -172.5 | -173.6 | -78.4 | 171.5 | -7.2 | 110.3 | A177 H178 V179 Q183 R184 L185 E228 E235 | A177-R181 WeakPolarHBondContact O-CB 3.36Å; A177-R181 PolarHBondContact O-N 3.22Å; H178-R181 WeakPolarHBondContact O-CB 3.39Å; H178-R181 PolarHBondContact O-N 2.92Å; H178-R181 VanDerWaalsContact O-N 3.13Å; V179-R181 VanDerWaalsContact C-N 3.35Å; V179-R181 PolarHBondContact O-N 3.31Å; R181-Q183 PolarHBondContact O-N 3.48Å; R181-R184 PolarHBondContact O-N 3.2Å; R181-L185 HydrophobicContact CG-CD1 4.09Å; R181-L185 WeakPolarHBondContact O-CG 3.27Å; R181-L185 PolarHBondContact O-N 3.42Å; R181-E228 HydrophobicContact CG-CB 4.26Å; R181-E228 HydrophobicContact CG-CG 4.5Å; R181-E228 IonicContact NE-OE2 3.79Å; R181-E235 IonicContact CZ-OE1 2.75Å; R181-E235 IonicContact CZ-OE2 2.82Å; R181-E235 IonicContact NH1-OE1 3.9Å; R181-E235 IonicContact NH1-OE2 3.76Å; R181-E235 PolarHBondContact NH1-OE2 2.67Å; R181-E235 IonicContact NH2-OE1 2.65Å; R181-E235 PolarHBondContact NH2-OE1 3.41Å; R181-E235 VanDerWaalsContact NH2-OE1 3.08Å; R181-E235 IonicContact NH2-OE2 3.77Å |
| 182 | L | 92.2 | Very high | 86.3 | Confident | 39 Ų | 39 | 50.5 Ų | 50.5 | 20% | 0.204 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 175.5 | -71.9 | 178.6 | 0 | 0 | 0 | 112.3 | L133 H178 V179 R184 L185 Y186 F242 | L133-L182 HydrophobicContact CD1-CB 4.07Å; L133-L182 HydrophobicContact CD2-CB 4.06Å; L133-L182 HydrophobicContact CD2-CD1 3.98Å; H178-L182 PolarHBondContact O-N 2.82Å; V179-L182 PolarHBondContact O-N 2.9Å; L182-R184 VanDerWaalsContact C-N 3.32Å; L182-R184 PolarHBondContact O-N 3.23Å; L182-L185 PolarHBondContact O-N 3.02Å; L182-L185 VanDerWaalsContact O-N 3.16Å; L182-Y186 HydrophobicContact CB-CD2 4.42Å; L182-Y186 HydrophobicContact CB-CE2 4.49Å; L182-Y186 HydrophobicContact CD2-CE2 4.41Å; L182-Y186 VanDerWaalsContact O-CD2 3.23Å; L182-Y186 WeakPolarHBondContact O-CD2 3.15Å; L182-Y186 PolarHBondContact O-N 3.01Å; L182-F242 HydrophobicContact CD2-CE2 4.47Å |
| 183 | Q | 91.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55 | -47.8 | 174.7 | -70.9 | 173.5 | 12.5 | 0 | 0 | 111.5 | N129 I132 L133 I136 V179 R181 L185 Y186 E187 | N129-Q183 VanDerWaalsContact C-NE2 3.33Å; N129-Q183 PolarHBondContact O-NE2 3Å; N129-Q183 PolarHBondContact OD1-NE2 2.97Å; I132-Q183 HydrophobicContact CG2-CG 4.4Å; L133-Q183 HydrophobicContact CB-CG 4Å; L133-Q183 HydrophobicContact CD1-CG 4.26Å; I136-Q183 HydrophobicContact CD1-CB 4.13Å; I136-Q183 HydrophobicContact CD1-CG 4.16Å; V179-Q183 WeakPolarHBondContact O-CG 3.5Å; V179-Q183 PolarHBondContact O-N 3.01Å; R181-Q183 PolarHBondContact O-N 3.48Å; Q183-L185 VanDerWaalsContact C-N 3.35Å; Q183-L185 PolarHBondContact O-N 3Å; Q183-Y186 PolarHBondContact O-N 3.08Å; Q183-E187 WeakPolarHBondContact O-CB 3.28Å; Q183-E187 VanDerWaalsContact O-CG 3.29Å; Q183-E187 WeakPolarHBondContact O-CG 3.22Å; Q183-E187 PolarHBondContact O-N 2.85Å |
| 184 | R | 91.6 | Very high | 89.7 | Confident | 58 Ų | 58 | 42.1 Ų | 42.1 | 22% | 0.219 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.9 | -44.8 | 177.1 | -71.9 | -168.1 | -68.9 | -92.6 | 12.5 | 111.6 | Q180 R181 L182 E187 G188 R225 E228 | Q180-R184 WeakPolarHBondContact O-CG 3.06Å; Q180-R184 PolarHBondContact O-N 3.37Å; Q180-R184 VanDerWaalsContact O-N 3.13Å; R181-R184 PolarHBondContact O-N 3.2Å; L182-R184 VanDerWaalsContact C-N 3.32Å; L182-R184 PolarHBondContact O-N 3.23Å; R184-E187 WeakPolarHBondContact O-CB 3.43Å; R184-E187 PolarHBondContact O-N 3.44Å; R184-G188 PolarHBondContact O-N 2.84Å; R184-R225 WeakPolarHBondContact O-CB 3.3Å; R184-E228 IonicContact CZ-OE1 3.86Å; R184-E228 VanDerWaalsContact CZ-OE1 3.26Å; R184-E228 IonicContact NE-OE1 2.93Å; R184-E228 PolarHBondContact NE-OE1 3.3Å; R184-E228 IonicContact NH2-OE1 3.57Å; R184-E228 PolarHBondContact NH2-OE1 2.96Å |
| 185 | L | 95.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.2 | -44 | -179.9 | -73 | 165.8 | 0 | 0 | 0 | 112.4 | R181 L182 Q183 G188 Y189 L226 E228 V229 L232 F242 | R181-L185 HydrophobicContact CG-CD1 4.09Å; R181-L185 WeakPolarHBondContact O-CG 3.27Å; R181-L185 PolarHBondContact O-N 3.42Å; L182-L185 PolarHBondContact O-N 3.02Å; L182-L185 VanDerWaalsContact O-N 3.16Å; Q183-L185 VanDerWaalsContact C-N 3.35Å; Q183-L185 PolarHBondContact O-N 3Å; L185-G188 PolarHBondContact O-N 3.09Å; L185-Y189 WeakPolarHBondContact O-CB 3.32Å; L185-Y189 PolarHBondContact O-N 3.25Å; L185-L226 HydrophobicContact CD2-CD2 4.35Å; L185-E228 HydrophobicContact CD2-CB 3.92Å; L185-E228 HydrophobicContact CG-CB 4.28Å; L185-V229 HydrophobicContact CD2-CG2 3.74Å; L185-L232 HydrophobicContact CD1-CD1 3.55Å; L185-F242 HydrophobicContact CB-CD1 3.97Å; L185-F242 HydrophobicContact CB-CD2 4.19Å; L185-F242 HydrophobicContact CB-CE1 3.69Å; L185-F242 HydrophobicContact CB-CE2 3.93Å; L185-F242 HydrophobicContact CB-CG 4.21Å; L185-F242 HydrophobicContact CB-CZ 3.67Å; L185-F242 HydrophobicContact CD1-CD2 3.96Å; L185-F242 HydrophobicContact CD1-CE2 3.86Å; L185-F242 HydrophobicContact CD1-CZ 4.42Å; L185-F242 HydrophobicContact CD2-CB 4.46Å; L185-F242 HydrophobicContact CD2-CD2 4.34Å; L185-F242 HydrophobicContact CD2-CG 4.22Å; L185-F242 HydrophobicContact CG-CD2 4.4Å; L185-F242 HydrophobicContact CG-CE2 4.41Å |
| 186 | Y | 95.7 | Very high | 91.9 | Very high | 50 Ų | 50 | 34 Ų | 34 | 20% | 0.196 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.6 | -33.2 | 176.6 | -77.6 | -67.8 | 0 | 0 | 0 | 112.9 | L133 L137 I140 L182 Q183 Y189 S190 F242 | L133-Y186 HydrophobicContact CD1-CD2 3.74Å; L133-Y186 HydrophobicContact CD1-CE2 4.21Å; L137-Y186 HydrophobicContact CD2-CD1 3.83Å; L137-Y186 HydrophobicContact CD2-CD2 3.95Å; L137-Y186 HydrophobicContact CD2-CE1 3.56Å; L137-Y186 HydrophobicContact CD2-CE2 3.71Å; L137-Y186 HydrophobicContact CD2-CG 4.02Å; L137-Y186 VanDerWaalsContact CD2-CZ 3.49Å; I140-Y186 HydrophobicContact CD1-CD1 3.95Å; I140-Y186 HydrophobicContact CD1-CG 4.37Å; L182-Y186 HydrophobicContact CB-CD2 4.42Å; L182-Y186 HydrophobicContact CB-CE2 4.49Å; L182-Y186 HydrophobicContact CD2-CE2 4.41Å; L182-Y186 VanDerWaalsContact O-CD2 3.23Å; L182-Y186 WeakPolarHBondContact O-CD2 3.15Å; L182-Y186 PolarHBondContact O-N 3.01Å; Q183-Y186 PolarHBondContact O-N 3.08Å; Y186-Y189 PolarHBondContact O-N 2.96Å; Y186-S190 PolarHBondContact O-N 3.32Å; Y186-F242 AromaticContact CD1-CE1 3.94Å; Y186-F242 HydrophobicContact CD1-CE1 3.94Å; Y186-F242 HydrophobicContact CD1-CZ 4.2Å; Y186-F242 HydrophobicContact CD2-CZ 4.14Å; Y186-F242 AromaticContact CE1-CE1 3.98Å; Y186-F242 HydrophobicContact CE1-CE1 3.98Å; Y186-F242 AromaticContact CE1-CZ 3.95Å; Y186-F242 HydrophobicContact CE1-CZ 3.95Å; Y186-F242 AromaticContact CE2-CZ 3.87Å; Y186-F242 HydrophobicContact CE2-CZ 3.87Å; Y186-F242 HydrophobicContact CG-CE1 4.22Å; Y186-F242 HydrophobicContact CG-CZ 4.29Å; Y186-F242 AromaticContact CZ-CZ 3.77Å |
| 187 | E | 93.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.019 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.5 | -49.2 | 166.9 | -75.9 | 179.1 | 167.8 | 0 | 0 | 111.2 | I136 V148 R152 Q183 R184 Y189 S190 F191 R225 | I136-E187 HydrophobicContact CD1-CG 4.32Å; V148-E187 HydrophobicContact CG1-CB 4.45Å; V148-E187 HydrophobicContact CG1-CG 3.93Å; R152-E187 WeakPolarHBondContact CD-OE1 3.48Å; R152-E187 VanDerWaalsContact CG-OE1 3.3Å; R152-E187 WeakPolarHBondContact CG-OE1 3.37Å; R152-E187 IonicContact NH1-OE1 3.14Å; R152-E187 IonicContact NH1-OE2 3.36Å; R152-E187 PolarHBondContact NH1-OE2 3.29Å; R152-E187 VanDerWaalsContact NH1-OE2 3.16Å; Q183-E187 WeakPolarHBondContact O-CB 3.28Å; Q183-E187 VanDerWaalsContact O-CG 3.29Å; Q183-E187 WeakPolarHBondContact O-CG 3.22Å; Q183-E187 PolarHBondContact O-N 2.85Å; R184-E187 WeakPolarHBondContact O-CB 3.43Å; R184-E187 PolarHBondContact O-N 3.44Å; E187-Y189 VanDerWaalsContact C-N 3.26Å; E187-Y189 PolarHBondContact O-N 2.91Å; E187-S190 WeakPolarHBondContact O-CB 3.41Å; E187-S190 PolarHBondContact O-N 3.1Å; E187-S190 VanDerWaalsContact O-N 3.08Å; E187-S190 PolarHBondContact O-OG 3.45Å; E187-F191 HydrophobicContact CB-CE2 4.48Å; E187-F191 WeakPolarHBondContact O-CD2 3.28Å; E187-F191 PolarHBondContact O-N 2.95Å; E187-R225 HydrophobicContact CB-CG 4.36Å; E187-R225 IonicContact OE2-CZ 2.91Å; E187-R225 IonicContact OE2-NE 2.76Å; E187-R225 PolarHBondContact OE2-NE 3.5Å; E187-R225 IonicContact OE2-NH2 2.74Å; E187-R225 PolarHBondContact OE2-NH2 3.48Å |
| 188 | G | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.1 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R184 L185 S190 F191 Y192 | R184-G188 PolarHBondContact O-N 2.84Å; L185-G188 PolarHBondContact O-N 3.09Å; G188-S190 VanDerWaalsContact C-N 3.33Å; G188-S190 PolarHBondContact O-N 2.9Å; G188-F191 PolarHBondContact O-N 3.35Å; G188-Y192 WeakPolarHBondContact O-CB 3.16Å; G188-Y192 PolarHBondContact O-N 2.97Å |
| 189 | Y | 95.5 | Very high | 92.8 | Very high | 82 Ų | 82 | 34 Ų | 34 | 32% | 0.322 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.8 | -36.3 | 175.8 | -158.1 | -105.5 | 0 | 0 | 0 | 112.3 | L185 Y186 E187 Y192 G193 T241 F242 A245 | L185-Y189 WeakPolarHBondContact O-CB 3.32Å; L185-Y189 PolarHBondContact O-N 3.25Å; Y186-Y189 PolarHBondContact O-N 2.96Å; E187-Y189 VanDerWaalsContact C-N 3.26Å; E187-Y189 PolarHBondContact O-N 2.91Å; Y189-Y192 HydrophobicContact CD2-CD1 4.44Å; Y189-Y192 HydrophobicContact CE2-CD1 4.37Å; Y189-Y192 PolarHBondContact O-N 2.83Å; Y189-G193 PolarHBondContact O-N 3.34Å; Y189-T241 WeakPolarHBondContact CE2-O 3.19Å; Y189-F242 HydrophobicContact CD2-CD1 4.14Å; Y189-A245 HydrophobicContact CD2-CB 3.88Å; Y189-A245 HydrophobicContact CE2-CB 3.9Å |
| 190 | S | 96 | Very high | 92.7 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66 | -44.1 | 174.2 | 76.7 | 0 | 0 | 0 | 0 | 112.3 | V148 Y186 E187 G188 Y192 G193 M194 | V148-S190 WeakPolarHBondContact CG1-OG 3.36Å; Y186-S190 PolarHBondContact O-N 3.32Å; E187-S190 WeakPolarHBondContact O-CB 3.41Å; E187-S190 PolarHBondContact O-N 3.1Å; E187-S190 VanDerWaalsContact O-N 3.08Å; E187-S190 PolarHBondContact O-OG 3.45Å; G188-S190 VanDerWaalsContact C-N 3.33Å; G188-S190 PolarHBondContact O-N 2.9Å; S190-Y192 PolarHBondContact O-N 3.4Å; S190-G193 PolarHBondContact O-N 2.98Å; S190-M194 WeakPolarHBondContact O-CG 3.46Å; S190-M194 PolarHBondContact O-N 2.74Å |
| 191 | F | 96.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 6% | 0.061 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 174.8 | -67 | -53.1 | 0 | 0 | 0 | 111.6 | Q149 E187 G188 G193 M194 W195 L218 K221 A222 R225 | Q149-F191 HydrophobicContact CB-CE1 4.05Å; Q149-F191 HydrophobicContact CB-CZ 3.77Å; E187-F191 HydrophobicContact CB-CE2 4.48Å; E187-F191 WeakPolarHBondContact O-CD2 3.28Å; E187-F191 PolarHBondContact O-N 2.95Å; G188-F191 PolarHBondContact O-N 3.35Å; F191-G193 VanDerWaalsContact C-N 3.35Å; F191-G193 PolarHBondContact O-N 3.1Å; F191-M194 PolarHBondContact O-N 3.34Å; F191-W195 WeakPolarHBondContact O-CB 3.41Å; F191-W195 PolarHBondContact O-N 3.32Å; F191-L218 HydrophobicContact CD1-CD2 4.16Å; F191-K221 HydrophobicContact CB-CB 4.33Å; F191-K221 HydrophobicContact CD1-CB 4.08Å; F191-K221 HydrophobicContact CD1-CD 4.17Å; F191-K221 HydrophobicContact CD2-CB 3.73Å; F191-K221 HydrophobicContact CE1-CB 4.31Å; F191-K221 HydrophobicContact CE1-CD 3.86Å; F191-K221 HydrophobicContact CE2-CB 3.97Å; F191-K221 HydrophobicContact CG-CB 3.79Å; F191-K221 HydrophobicContact CZ-CB 4.26Å; F191-K221 HydrophobicContact CZ-CD 4.1Å; F191-A222 HydrophobicContact CB-CB 3.84Å; F191-R225 HydrophobicContact CD2-CG 4.39Å; F191-R225 HydrophobicContact CE2-CG 4.31Å |
| 192 | Y | 96.6 | Very high | 91.2 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 8% | 0.075 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.4 | -44.6 | 172.8 | 165 | -96.8 | 0 | 0 | 0 | 111.9 | G188 Y189 S190 M194 W195 L196 A245 E248 I249 | G188-Y192 WeakPolarHBondContact O-CB 3.16Å; G188-Y192 PolarHBondContact O-N 2.97Å; Y189-Y192 HydrophobicContact CD2-CD1 4.44Å; Y189-Y192 HydrophobicContact CE2-CD1 4.37Å; Y189-Y192 PolarHBondContact O-N 2.83Å; S190-Y192 PolarHBondContact O-N 3.4Å; Y192-M194 VanDerWaalsContact C-N 3.32Å; Y192-M194 PolarHBondContact O-N 3.3Å; Y192-W195 AromaticContact CD2-CE3 3.69Å; Y192-W195 HydrophobicContact CD2-CE3 3.69Å; Y192-W195 AromaticContact CD2-CZ3 3.84Å; Y192-W195 HydrophobicContact CD2-CZ3 3.84Å; Y192-W195 AromaticContact CE2-CE3 3.87Å; Y192-W195 HydrophobicContact CE2-CE3 3.87Å; Y192-W195 AromaticContact CE2-CZ3 3.57Å; Y192-W195 HydrophobicContact CE2-CZ3 3.57Å; Y192-W195 PolarHBondContact O-N 3.25Å; Y192-L196 HydrophobicContact CE1-CD2 4.45Å; Y192-L196 WeakPolarHBondContact O-CB 3.36Å; Y192-L196 PolarHBondContact O-N 2.95Å; Y192-A245 HydrophobicContact CD1-CB 3.6Å; Y192-A245 HydrophobicContact CD2-CB 3.78Å; Y192-A245 HydrophobicContact CE1-CB 3.8Å; Y192-A245 HydrophobicContact CE2-CB 3.94Å; Y192-A245 HydrophobicContact CG-CB 3.6Å; Y192-E248 HydrophobicContact CE2-CB 4.1Å; Y192-E248 PolarHBondContact OH-OE2 3.47Å; Y192-I249 HydrophobicContact CD2-CD1 4.07Å; Y192-I249 HydrophobicContact CD2-CG1 3.97Å |
| 193 | G | 95 | Very high | 89.7 | Confident | 17 Ų | 17 | 42.3 Ų | 42.3 | 18% | 0.175 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -35 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y189 S190 F191 K197 | Y189-G193 PolarHBondContact O-N 3.34Å; S190-G193 PolarHBondContact O-N 2.98Å; F191-G193 VanDerWaalsContact C-N 3.35Å; F191-G193 PolarHBondContact O-N 3.1Å; G193-K197 WeakPolarHBondContact O-CG 3.35Å; G193-K197 PolarHBondContact O-N 2.98Å |
| 194 | M | 94.1 | Very high | 88.2 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 15% | 0.148 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.3 | -45.6 | 172.4 | -66.3 | 172.6 | 60.5 | 0 | 0 | 111.8 | L145 N146 S190 F191 Y192 L196 K197 Q198 L218 | L145-M194 HydrophobicContact CB-CG 3.65Å; L145-M194 HydrophobicContact CB-SD 4.22Å; L145-M194 HydrophobicContact CD1-CG 4.21Å; N146-M194 WeakPolarHBondContact OD1-CE 3.38Å; N146-M194 PolarHBondContact OD1-SD 3.14Å; S190-M194 WeakPolarHBondContact O-CG 3.46Å; S190-M194 PolarHBondContact O-N 2.74Å; F191-M194 PolarHBondContact O-N 3.34Å; Y192-M194 VanDerWaalsContact C-N 3.32Å; Y192-M194 PolarHBondContact O-N 3.3Å; M194-L196 VanDerWaalsContact C-N 3.32Å; M194-L196 PolarHBondContact O-N 3.2Å; M194-K197 WeakPolarHBondContact O-CB 3.32Å; M194-K197 PolarHBondContact O-N 3.19Å; M194-Q198 PolarHBondContact O-N 2.87Å; M194-L218 HydrophobicContact CB-CD1 3.9Å; M194-L218 HydrophobicContact CB-CD2 4.11Å; M194-L218 HydrophobicContact CE-CD1 4.33Å; M194-L218 HydrophobicContact CE-CD2 3.59Å; M194-L218 HydrophobicContact SD-CD2 4.18Å |
| 195 | W | 95.1 | Very high | 86.5 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 6% | 0.057 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.8 | -46 | 175.4 | 166.7 | 78.6 | 0 | 0 | 0 | 111.2 | F191 Y192 K197 Q198 I199 L218 A219 E248 I249 Y252 | F191-W195 WeakPolarHBondContact O-CB 3.41Å; F191-W195 PolarHBondContact O-N 3.32Å; Y192-W195 AromaticContact CD2-CE3 3.69Å; Y192-W195 HydrophobicContact CD2-CE3 3.69Å; Y192-W195 AromaticContact CD2-CZ3 3.84Å; Y192-W195 HydrophobicContact CD2-CZ3 3.84Å; Y192-W195 AromaticContact CE2-CE3 3.87Å; Y192-W195 HydrophobicContact CE2-CE3 3.87Å; Y192-W195 AromaticContact CE2-CZ3 3.57Å; Y192-W195 HydrophobicContact CE2-CZ3 3.57Å; Y192-W195 PolarHBondContact O-N 3.25Å; W195-K197 VanDerWaalsContact C-N 3.32Å; W195-K197 PolarHBondContact O-N 3.24Å; W195-Q198 WeakPolarHBondContact O-CB 3.42Å; W195-Q198 PolarHBondContact O-N 2.86Å; W195-Q198 VanDerWaalsContact O-N 3.08Å; W195-I199 HydrophobicContact CD2-CG1 4.15Å; W195-I199 HydrophobicContact CG-CG1 4.32Å; W195-I199 HydrophobicContact CZ2-CG1 4Å; W195-I199 WeakPolarHBondContact O-CG1 3.29Å; W195-I199 PolarHBondContact O-N 3.15Å; W195-L218 HydrophobicContact CB-CB 3.92Å; W195-A219 HydrophobicContact CG-CB 4.37Å; W195-E248 HydrophobicContact CH2-CB 4.46Å; W195-E248 HydrophobicContact CZ3-CB 4.46Å; W195-I249 HydrophobicContact CD2-CD1 3.82Å; W195-I249 HydrophobicContact CE3-CD1 3.79Å; W195-I249 HydrophobicContact CG-CD1 4.34Å; W195-I249 HydrophobicContact CH2-CD1 4.43Å; W195-I249 HydrophobicContact CZ2-CD1 4.45Å; W195-I249 HydrophobicContact CZ3-CD1 4.12Å; W195-Y252 AromaticContact CZ2-CD2 3.53Å; W195-Y252 HydrophobicContact CZ2-CD2 3.53Å; W195-Y252 HydrophobicContact CZ2-CE2 4.2Å; W195-Y252 AromaticContact CZ2-CG 3.76Å; W195-Y252 HydrophobicContact CZ2-CG 3.76Å; W195-Y252 AromaticContact NE1-CD2 3.86Å; W195-Y252 AromaticContact NE1-CE2 3.74Å; W195-Y252 AromaticContact NE1-CZ 3.88Å |
| 196 | L | 92.8 | Very high | 84.7 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 178.6 | -174.5 | 63.9 | 0 | 0 | 0 | 112.1 | Y192 M194 N200 | Y192-L196 HydrophobicContact CE1-CD2 4.45Å; Y192-L196 WeakPolarHBondContact O-CB 3.36Å; Y192-L196 PolarHBondContact O-N 2.95Å; M194-L196 VanDerWaalsContact C-N 3.32Å; M194-L196 PolarHBondContact O-N 3.2Å; L196-N200 WeakPolarHBondContact O-CB 3.02Å; L196-N200 VanDerWaalsContact O-CG 3.27Å; L196-N200 PolarHBondContact O-N 2.88Å; L196-N200 VanDerWaalsContact O-N 3.09Å; L196-N200 PolarHBondContact O-ND2 3.12Å |
| 197 | K | 90.6 | Very high | 83.1 | Confident | 125 Ų | 125 | 55.4 Ų | 55.4 | 54% | 0.543 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 172 | -74.1 | 178.2 | -179.1 | -177.8 | 0 | 110.8 | G193 M194 W195 N200 S201 | G193-K197 WeakPolarHBondContact O-CG 3.35Å; G193-K197 PolarHBondContact O-N 2.98Å; M194-K197 WeakPolarHBondContact O-CB 3.32Å; M194-K197 PolarHBondContact O-N 3.19Å; W195-K197 VanDerWaalsContact C-N 3.32Å; W195-K197 PolarHBondContact O-N 3.24Å; K197-N200 PolarHBondContact O-N 3.32Å; K197-S201 WeakPolarHBondContact O-CB 3.23Å; K197-S201 PolarHBondContact O-N 3.48Å; K197-S201 PolarHBondContact O-OG 2.85Å |
| 198 | Q | 88.7 | Confident | 82 | Confident | 48 Ų | 48 | 58.9 Ų | 58.9 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63 | -45.2 | -179.7 | -161.7 | 67.8 | 7.1 | 0 | 0 | 112.4 | M194 W195 N200 S201 L202 I211 A215 | M194-Q198 PolarHBondContact O-N 2.87Å; W195-Q198 WeakPolarHBondContact O-CB 3.42Å; W195-Q198 PolarHBondContact O-N 2.86Å; W195-Q198 VanDerWaalsContact O-N 3.08Å; Q198-N200 VanDerWaalsContact C-N 3.33Å; Q198-N200 PolarHBondContact O-N 2.94Å; Q198-S201 PolarHBondContact O-N 3.12Å; Q198-L202 PolarHBondContact O-N 3Å; Q198-I211 HydrophobicContact CG-CG2 3.91Å; Q198-A215 HydrophobicContact CB-CB 4.48Å; Q198-A215 HydrophobicContact CG-CB 4.07Å |
| 199 | I | 87.1 | Confident | 81 | Confident | 50 Ų | 50 | 66.1 Ų | 66.1 | 26% | 0.256 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.7 | -35.7 | 177.5 | -65 | -72.1 | 0 | 0 | 0 | 112.1 | W195 L202 A215 Y252 | W195-I199 HydrophobicContact CD2-CG1 4.15Å; W195-I199 HydrophobicContact CG-CG1 4.32Å; W195-I199 HydrophobicContact CZ2-CG1 4Å; W195-I199 WeakPolarHBondContact O-CG1 3.29Å; W195-I199 PolarHBondContact O-N 3.15Å; I199-L202 HydrophobicContact CD1-CD1 3.95Å; I199-L202 WeakPolarHBondContact O-CB 3.32Å; I199-A215 HydrophobicContact CD1-CB 4.09Å; I199-Y252 HydrophobicContact CD1-CE2 3.81Å |
| 200 | N | 84.7 | Confident | 80 | Confident | 105 Ų | 105 | 67.6 Ų | 67.6 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -75 | -29.7 | 174.8 | -70.5 | -40.4 | 0 | 0 | 0 | 112.3 | L196 K197 Q198 L202 A203 | L196-N200 WeakPolarHBondContact O-CB 3.02Å; L196-N200 VanDerWaalsContact O-CG 3.27Å; L196-N200 PolarHBondContact O-N 2.88Å; L196-N200 VanDerWaalsContact O-N 3.09Å; L196-N200 PolarHBondContact O-ND2 3.12Å; K197-N200 PolarHBondContact O-N 3.32Å; Q198-N200 VanDerWaalsContact C-N 3.33Å; Q198-N200 PolarHBondContact O-N 2.94Å; N200-L202 VanDerWaalsContact C-N 3.34Å; N200-A203 WeakPolarHBondContact O-CB 3.43Å; N200-A203 PolarHBondContact O-N 2.75Å |
| 201 | S | 80.6 | Confident | 79 | Confident | 67 Ų | 67 | 68.7 Ų | 68.7 | 47% | 0.469 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.6 | -24.1 | 173.3 | -70.1 | 0 | 0 | 0 | 0 | 113.4 | K197 Q198 A203 S204 | K197-S201 WeakPolarHBondContact O-CB 3.23Å; K197-S201 PolarHBondContact O-N 3.48Å; K197-S201 PolarHBondContact O-OG 2.85Å; Q198-S201 PolarHBondContact O-N 3.12Å; S201-A203 PolarHBondContact O-N 3.08Å; S201-S204 VanDerWaalsContact O-CB 3.25Å; S201-S204 WeakPolarHBondContact O-CB 3.43Å; S201-S204 PolarHBondContact O-N 2.71Å |
| 202 | L | 66.1 | Low | 78.2 | Confident | 47 Ų | 47 | 72.1 Ų | 72.1 | 25% | 0.246 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -15.5 | 170.9 | -85.2 | 164.7 | 0 | 0 | 0 | 113.7 | Q198 I199 N200 S204 I211 | Q198-L202 PolarHBondContact O-N 3Å; I199-L202 HydrophobicContact CD1-CD1 3.95Å; I199-L202 WeakPolarHBondContact O-CB 3.32Å; N200-L202 VanDerWaalsContact C-N 3.34Å; L202-S204 PolarHBondContact O-N 3.24Å; L202-I211 HydrophobicContact CD1-CG2 3.97Å; L202-I211 HydrophobicContact CD2-CB 3.88Å; L202-I211 HydrophobicContact CD2-CG2 3.23Å; L202-I211 HydrophobicContact CG-CB 4.45Å; L202-I211 HydrophobicContact CG-CG2 3.3Å |
| 203 | A | 60.7 | Low | 77.8 | Confident | 97 Ų | 97 | 75.8 Ų | 75.8 | 80% | 0.802 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -6.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N200 S201 | N200-A203 WeakPolarHBondContact O-CB 3.43Å; N200-A203 PolarHBondContact O-N 2.75Å; S201-A203 PolarHBondContact O-N 3.08Å |
| 204 | S | 60.7 | Low | 77.5 | Confident | 66 Ų | 66 | 78.1 Ų | 78.1 | 46% | 0.462 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -102.7 | 136.3 | 177.9 | -169.2 | 0 | 0 | 0 | 0 | 111.4 | S201 L202 S206 | S201-S204 VanDerWaalsContact O-CB 3.25Å; S201-S204 WeakPolarHBondContact O-CB 3.43Å; S201-S204 PolarHBondContact O-N 2.71Å; L202-S204 PolarHBondContact O-N 3.24Å; S204-S206 PolarHBondContact O-N 3.46Å |
| 205 | P | 55.1 | Low | 77.3 | Confident | 137 Ų | 137 | 76.7 Ų | 76.7 | 89% | 0.89 | 44% | 0.44 | S | S | * | . | trans | -75 | 24.1 | -164.9 | 29.1 | -36.7 | 0 | 0 | 0 | 117.1 | ||||
| 206 | S | 58.1 | Low | 77.2 | Confident | 73 Ų | 73 | 79.5 Ų | 79.5 | 51% | 0.51 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -104 | 121.9 | -177.6 | 45.7 | 0 | 0 | 0 | 0 | 111.7 | S204 I211 | S204-S206 PolarHBondContact O-N 3.46Å; S206-I211 WeakPolarHBondContact O-CD1 3.17Å |
| 207 | D | 62.9 | Low | 77.2 | Confident | 108 Ų | 108 | 80.1 Ų | 80.1 | 58% | 0.578 | 46% | 0.459 | S | S | * | . | trans | 34.3 | 86.4 | 173.2 | -132.8 | -23.3 | 0 | 0 | 0 | 117.4 | E209 I211 | D207-E209 PolarHBondContact O-N 3.3Å; D207-I211 WeakPolarHBondContact O-CD1 3.38Å; D207-I211 WeakPolarHBondContact O-CG1 3.42Å | ||
| 208 | P | 70.1 | Confident | 77.4 | Confident | 77 Ų | 77 | 74.9 Ų | 74.9 | 50% | 0.5 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67 | -33.2 | -172.5 | 23.9 | -31.1 | 0 | 0 | 0 | 113.9 | I211 H212 | P208-I211 PolarHBondContact O-N 2.87Å; P208-H212 PolarHBondContact O-CD2 3.35Å; P208-H212 PolarHBondContact O-N 3.17Å |
| 209 | E | 74.1 | Confident | 77.8 | Confident | 151 Ų | 151 | 72.6 Ų | 72.6 | 71% | 0.706 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -68.2 | -49.7 | -171 | -69.1 | -161.8 | 159.6 | 0 | 0 | 113.2 | D207 I211 H212 V213 | D207-E209 PolarHBondContact O-N 3.3Å; E209-I211 PolarHBondContact O-N 3.43Å; E209-H212 PolarHBondContact O-N 2.99Å; E209-H212 VanDerWaalsContact O-N 3.16Å; E209-V213 PolarHBondContact O-N 3.15Å; E209-V213 VanDerWaalsContact O-N 3.11Å |
| 210 | D | 74.6 | Confident | 78.2 | Confident | 113 Ų | 113 | 75.2 Ų | 75.2 | 60% | 0.604 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.4 | -33.8 | 179 | -85.4 | -11.9 | 0 | 0 | 0 | 112.2 | T214 | D210-T214 WeakPolarHBondContact O-CB 3.06Å; D210-T214 PolarHBondContact O-N 3Å; D210-T214 PolarHBondContact O-OG1 3.12Å |
| 211 | I | 74.3 | Confident | 78.7 | Confident | 25 Ų | 25 | 74 Ų | 74 | 13% | 0.128 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.9 | -40.9 | 178.4 | -65.8 | 179.5 | 0 | 0 | 0 | 110.7 | Q198 L202 S206 D207 P208 E209 T214 A215 | Q198-I211 HydrophobicContact CG-CG2 3.91Å; L202-I211 HydrophobicContact CD1-CG2 3.97Å; L202-I211 HydrophobicContact CD2-CB 3.88Å; L202-I211 HydrophobicContact CD2-CG2 3.23Å; L202-I211 HydrophobicContact CG-CB 4.45Å; L202-I211 HydrophobicContact CG-CG2 3.3Å; S206-I211 WeakPolarHBondContact O-CD1 3.17Å; D207-I211 WeakPolarHBondContact O-CD1 3.38Å; D207-I211 WeakPolarHBondContact O-CG1 3.42Å; P208-I211 PolarHBondContact O-N 2.87Å; E209-I211 PolarHBondContact O-N 3.43Å; I211-T214 PolarHBondContact O-N 2.95Å; I211-A215 WeakPolarHBondContact O-CB 3.35Å; I211-A215 PolarHBondContact O-N 2.86Å |
| 212 | H | 80.4 | Confident | 79.5 | Confident | 86 Ų | 86 | 70.8 Ų | 70.8 | 40% | 0.398 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 175.9 | -76.6 | -59.6 | 0 | 0 | 0 | 111.9 | P208 E209 T214 A215 D216 | P208-H212 PolarHBondContact O-CD2 3.35Å; P208-H212 PolarHBondContact O-N 3.17Å; E209-H212 PolarHBondContact O-N 2.99Å; E209-H212 VanDerWaalsContact O-N 3.16Å; H212-T214 VanDerWaalsContact C-N 3.3Å; H212-T214 PolarHBondContact O-N 3.25Å; H212-A215 PolarHBondContact O-N 3.05Å; H212-A215 VanDerWaalsContact O-N 3.17Å; H212-D216 PolarHBondContact O-N 3.46Å |
| 213 | V | 87.3 | Confident | 80.9 | Confident | 95 Ų | 95 | 70.5 Ų | 70.5 | 58% | 0.576 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -59.9 | -41.8 | 177.6 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | E209 N217 | E209-V213 PolarHBondContact O-N 3.15Å; E209-V213 VanDerWaalsContact O-N 3.11Å; V213-N217 WeakPolarHBondContact O-CB 3.32Å; V213-N217 PolarHBondContact O-N 2.82Å; V213-N217 VanDerWaalsContact O-N 3.13Å |
| 214 | T | 88.8 | Confident | 82.6 | Confident | 67 Ų | 67 | 70.2 Ų | 70.2 | 41% | 0.411 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 177.2 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | D210 I211 H212 L218 | D210-T214 WeakPolarHBondContact O-CB 3.06Å; D210-T214 PolarHBondContact O-N 3Å; D210-T214 PolarHBondContact O-OG1 3.12Å; I211-T214 PolarHBondContact O-N 2.95Å; H212-T214 VanDerWaalsContact C-N 3.3Å; H212-T214 PolarHBondContact O-N 3.25Å; T214-L218 HydrophobicContact CG2-CD1 4.15Å; T214-L218 VanDerWaalsContact O-CG 3.3Å; T214-L218 WeakPolarHBondContact O-CG 2.98Å; T214-L218 PolarHBondContact O-N 3.34Å; T214-L218 VanDerWaalsContact O-N 3.11Å |
| 215 | A | 90.2 | Very high | 84.2 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q198 I199 I211 H212 N217 L218 A219 | Q198-A215 HydrophobicContact CB-CB 4.48Å; Q198-A215 HydrophobicContact CG-CB 4.07Å; I199-A215 HydrophobicContact CD1-CB 4.09Å; I211-A215 WeakPolarHBondContact O-CB 3.35Å; I211-A215 PolarHBondContact O-N 2.86Å; H212-A215 PolarHBondContact O-N 3.05Å; H212-A215 VanDerWaalsContact O-N 3.17Å; A215-N217 PolarHBondContact O-N 3.45Å; A215-L218 PolarHBondContact O-N 3.01Å; A215-A219 WeakPolarHBondContact O-CB 3.41Å; A215-A219 PolarHBondContact O-N 3.44Å |
| 216 | D | 92.5 | Very high | 86.2 | Confident | 73 Ų | 73 | 64.5 Ų | 64.5 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 177.9 | -73.9 | -21 | 0 | 0 | 0 | 111.7 | H212 L218 A219 E220 Y252 | H212-D216 PolarHBondContact O-N 3.46Å; D216-L218 VanDerWaalsContact C-N 3.33Å; D216-L218 PolarHBondContact O-N 3.43Å; D216-A219 PolarHBondContact O-N 2.9Å; D216-E220 WeakPolarHBondContact O-CB 3.23Å; D216-E220 PolarHBondContact O-N 3.26Å; D216-Y252 WeakPolarHBondContact OD1-CE1 3.48Å; D216-Y252 VanDerWaalsContact OD1-CZ 3.29Å; D216-Y252 PolarHBondContact OD1-OH 3.25Å |
| 217 | N | 94.1 | Very high | 88 | Confident | 73 Ų | 73 | 64.8 Ų | 64.8 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 177.2 | -171.9 | -30.1 | 0 | 0 | 0 | 112 | V213 A215 K221 | V213-N217 WeakPolarHBondContact O-CB 3.32Å; V213-N217 PolarHBondContact O-N 2.82Å; V213-N217 VanDerWaalsContact O-N 3.13Å; A215-N217 PolarHBondContact O-N 3.45Å; N217-K221 WeakPolarHBondContact O-CB 3.37Å; N217-K221 WeakPolarHBondContact O-CG 3.34Å; N217-K221 PolarHBondContact O-N 2.91Å; N217-K221 WeakPolarHBondContact OD1-CD 3.41Å; N217-K221 WeakPolarHBondContact OD1-CE 3.32Å; N217-K221 PolarHBondContact OD1-NZ 3.34Å |
| 218 | L | 95.1 | Very high | 89.4 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 176.4 | -68.6 | 170.1 | 0 | 0 | 0 | 112 | F191 M194 W195 T214 A215 D216 A222 | F191-L218 HydrophobicContact CD1-CD2 4.16Å; M194-L218 HydrophobicContact CB-CD1 3.9Å; M194-L218 HydrophobicContact CB-CD2 4.11Å; M194-L218 HydrophobicContact CE-CD1 4.33Å; M194-L218 HydrophobicContact CE-CD2 3.59Å; M194-L218 HydrophobicContact SD-CD2 4.18Å; W195-L218 HydrophobicContact CB-CB 3.92Å; T214-L218 HydrophobicContact CG2-CD1 4.15Å; T214-L218 VanDerWaalsContact O-CG 3.3Å; T214-L218 WeakPolarHBondContact O-CG 2.98Å; T214-L218 PolarHBondContact O-N 3.34Å; T214-L218 VanDerWaalsContact O-N 3.11Å; A215-L218 PolarHBondContact O-N 3.01Å; D216-L218 VanDerWaalsContact C-N 3.33Å; D216-L218 PolarHBondContact O-N 3.43Å; L218-A222 WeakPolarHBondContact O-CB 3.21Å; L218-A222 PolarHBondContact O-N 3.33Å |
| 219 | A | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | W195 A215 D216 A222 Y223 I249 Y252 F253 | W195-A219 HydrophobicContact CG-CB 4.37Å; A215-A219 WeakPolarHBondContact O-CB 3.41Å; A215-A219 PolarHBondContact O-N 3.44Å; D216-A219 PolarHBondContact O-N 2.9Å; A219-A222 WeakPolarHBondContact O-CB 3.21Å; A219-A222 PolarHBondContact O-N 3.43Å; A219-Y223 WeakPolarHBondContact O-CB 3.5Å; A219-Y223 PolarHBondContact O-N 3.14Å; A219-I249 HydrophobicContact CB-CD1 4.22Å; A219-Y252 HydrophobicContact CB-CD1 3.66Å; A219-Y252 HydrophobicContact CB-CE1 3.67Å; A219-F253 HydrophobicContact CB-CE2 3.91Å; A219-F253 HydrophobicContact CB-CZ 3.61Å |
| 220 | E | 96.4 | Very high | 91.7 | Very high | 104 Ų | 104 | 53.2 Ų | 53.2 | 49% | 0.486 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 178.8 | -173.7 | -179.8 | -171.2 | 0 | 0 | 111 | D216 A222 Y223 H224 F253 | D216-E220 WeakPolarHBondContact O-CB 3.23Å; D216-E220 PolarHBondContact O-N 3.26Å; E220-A222 VanDerWaalsContact C-N 3.34Å; E220-A222 PolarHBondContact O-N 3.26Å; E220-Y223 WeakPolarHBondContact O-CB 3.37Å; E220-Y223 PolarHBondContact O-N 3.37Å; E220-H224 PolarHBondContact O-CD2 2.91Å; E220-H224 PolarHBondContact O-N 2.61Å; E220-H224 IonicContact OE1-NE2 3.13Å; E220-F253 HydrophobicContact CB-CZ 4.32Å |
| 221 | K | 95.6 | Very high | 92.6 | Very high | 79 Ų | 79 | 49.5 Ų | 49.5 | 34% | 0.343 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.8 | -42.2 | 173.2 | -75.1 | 171.9 | 176.1 | 158.6 | 0 | 112.3 | F191 N217 R225 | F191-K221 HydrophobicContact CB-CB 4.33Å; F191-K221 HydrophobicContact CD1-CB 4.08Å; F191-K221 HydrophobicContact CD1-CD 4.17Å; F191-K221 HydrophobicContact CD2-CB 3.73Å; F191-K221 HydrophobicContact CE1-CB 4.31Å; F191-K221 HydrophobicContact CE1-CD 3.86Å; F191-K221 HydrophobicContact CE2-CB 3.97Å; F191-K221 HydrophobicContact CG-CB 3.79Å; F191-K221 HydrophobicContact CZ-CB 4.26Å; F191-K221 HydrophobicContact CZ-CD 4.1Å; N217-K221 WeakPolarHBondContact O-CB 3.37Å; N217-K221 WeakPolarHBondContact O-CG 3.34Å; N217-K221 PolarHBondContact O-N 2.91Å; N217-K221 WeakPolarHBondContact OD1-CD 3.41Å; N217-K221 WeakPolarHBondContact OD1-CE 3.32Å; N217-K221 PolarHBondContact OD1-NZ 3.34Å; K221-R225 WeakPolarHBondContact O-CG 3.07Å; K221-R225 PolarHBondContact O-N 3.2Å |
| 222 | A | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F191 L218 A219 E220 R225 L226 I249 | F191-A222 HydrophobicContact CB-CB 3.84Å; L218-A222 WeakPolarHBondContact O-CB 3.21Å; L218-A222 PolarHBondContact O-N 3.33Å; A219-A222 WeakPolarHBondContact O-CB 3.21Å; A219-A222 PolarHBondContact O-N 3.43Å; E220-A222 VanDerWaalsContact C-N 3.34Å; E220-A222 PolarHBondContact O-N 3.26Å; A222-R225 PolarHBondContact O-N 3.3Å; A222-L226 HydrophobicContact CB-CD1 4.32Å; A222-L226 VanDerWaalsContact O-CB 3.23Å; A222-L226 WeakPolarHBondContact O-CB 3.5Å; A222-L226 VanDerWaalsContact O-CG 3.29Å; A222-L226 WeakPolarHBondContact O-CG 3.42Å; A222-L226 PolarHBondContact O-N 3.14Å; A222-I249 HydrophobicContact CB-CD1 3.96Å; A222-I249 HydrophobicContact CB-CG1 4.08Å |
| 223 | Y | 96.8 | Very high | 94.3 | Very high | 41 Ų | 41 | 44.8 Ų | 44.8 | 16% | 0.161 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.5 | -53.2 | 178 | 173.1 | -95.4 | 0 | 0 | 0 | 112.1 | A219 E220 R225 L226 Q227 F246 I249 L250 F253 R258 | A219-Y223 WeakPolarHBondContact O-CB 3.5Å; A219-Y223 PolarHBondContact O-N 3.14Å; E220-Y223 WeakPolarHBondContact O-CB 3.37Å; E220-Y223 PolarHBondContact O-N 3.37Å; Y223-R225 PolarHBondContact O-N 2.72Å; Y223-R225 VanDerWaalsContact O-N 3.12Å; Y223-L226 PolarHBondContact O-N 3.26Å; Y223-Q227 PolarHBondContact O-N 2.83Å; Y223-F246 HydrophobicContact CD2-CE2 4.01Å; Y223-F246 HydrophobicContact CE2-CE2 4.25Å; Y223-I249 HydrophobicContact CD2-CG2 4.3Å; Y223-L250 HydrophobicContact CD2-CD2 4.2Å; Y223-L250 HydrophobicContact CE2-CD2 3.8Å; Y223-F253 HydrophobicContact CD2-CD2 4.35Å; Y223-F253 HydrophobicContact CG-CE2 4.38Å; Y223-R258 PolarHBondContact OH-NH1 2.9Å |
| 224 | H | 95.5 | Very high | 94.6 | Very high | 91 Ų | 91 | 43.6 Ų | 43.6 | 42% | 0.421 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.3 | -27.6 | -178.9 | -75.8 | -53.7 | 0 | 0 | 0 | 114 | E220 Q227 | E220-H224 PolarHBondContact O-CD2 2.91Å; E220-H224 PolarHBondContact O-N 2.61Å; E220-H224 IonicContact OE1-NE2 3.13Å; H224-Q227 WeakPolarHBondContact O-CG 3.18Å; H224-Q227 PolarHBondContact O-NE2 3.34Å |
| 225 | R | 94.5 | Very high | 94.8 | Very high | 83 Ų | 83 | 45.2 Ų | 45.2 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -89 | -38.6 | 178.8 | -75 | -58.9 | -165.6 | -118.7 | -3.1 | 112.9 | R184 E187 F191 K221 A222 Y223 | R184-R225 WeakPolarHBondContact O-CB 3.3Å; E187-R225 HydrophobicContact CB-CG 4.36Å; E187-R225 IonicContact OE2-CZ 2.91Å; E187-R225 IonicContact OE2-NE 2.76Å; E187-R225 PolarHBondContact OE2-NE 3.5Å; E187-R225 IonicContact OE2-NH2 2.74Å; E187-R225 PolarHBondContact OE2-NH2 3.48Å; F191-R225 HydrophobicContact CD2-CG 4.39Å; F191-R225 HydrophobicContact CE2-CG 4.31Å; K221-R225 WeakPolarHBondContact O-CG 3.07Å; K221-R225 PolarHBondContact O-N 3.2Å; A222-R225 PolarHBondContact O-N 3.3Å; Y223-R225 PolarHBondContact O-N 2.72Å; Y223-R225 VanDerWaalsContact O-N 3.12Å |
| 226 | L | 97 | Very high | 95 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -83.3 | -14.7 | -177.4 | -68.9 | 173.3 | 0 | 0 | 0 | 113.9 | L185 A222 Y223 E228 V229 F242 A245 F246 I249 | L185-L226 HydrophobicContact CD2-CD2 4.35Å; A222-L226 HydrophobicContact CB-CD1 4.32Å; A222-L226 VanDerWaalsContact O-CB 3.23Å; A222-L226 WeakPolarHBondContact O-CB 3.5Å; A222-L226 VanDerWaalsContact O-CG 3.29Å; A222-L226 WeakPolarHBondContact O-CG 3.42Å; A222-L226 PolarHBondContact O-N 3.14Å; Y223-L226 PolarHBondContact O-N 3.26Å; L226-E228 PolarHBondContact O-N 3.04Å; L226-V229 VanDerWaalsContact O-CB 3.25Å; L226-V229 WeakPolarHBondContact O-CB 3.42Å; L226-V229 WeakPolarHBondContact O-CG2 3.04Å; L226-V229 PolarHBondContact O-N 3.24Å; L226-F242 HydrophobicContact CD2-CB 4.35Å; L226-F242 HydrophobicContact CD2-CD1 4.35Å; L226-A245 HydrophobicContact CD1-CB 3.94Å; L226-F246 HydrophobicContact CB-CB 4.05Å; L226-F246 HydrophobicContact CB-CD2 3.57Å; L226-F246 HydrophobicContact CB-CE2 4.39Å; L226-F246 HydrophobicContact CB-CG 4.07Å; L226-I249 HydrophobicContact CD1-CG1 4.44Å |
| 227 | Q | 95.6 | Very high | 95 | Very high | 79 Ų | 79 | 47.4 Ų | 47.4 | 37% | 0.369 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -23.4 | 176.3 | 66.2 | -178.2 | -13.5 | 0 | 0 | 114 | Y223 H224 V229 E230 F246 | Y223-Q227 PolarHBondContact O-N 2.83Å; H224-Q227 WeakPolarHBondContact O-CG 3.18Å; H224-Q227 PolarHBondContact O-NE2 3.34Å; Q227-V229 PolarHBondContact O-N 2.83Å; Q227-V229 VanDerWaalsContact O-N 3.1Å; Q227-E230 WeakPolarHBondContact O-CB 3.3Å; Q227-E230 PolarHBondContact O-N 3.46Å; Q227-F246 HydrophobicContact CB-CE2 4.33Å; Q227-F246 HydrophobicContact CB-CZ 4.27Å |
| 228 | E | 93.1 | Very high | 95 | Very high | 42 Ų | 42 | 49.6 Ų | 49.6 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.4 | -18.4 | 172.9 | -66.7 | -88.2 | -164.9 | 0 | 0 | 113.1 | R181 R184 L185 L226 E230 A231 L232 | R181-E228 HydrophobicContact CG-CB 4.26Å; R181-E228 HydrophobicContact CG-CG 4.5Å; R181-E228 IonicContact NE-OE2 3.79Å; R184-E228 IonicContact CZ-OE1 3.86Å; R184-E228 VanDerWaalsContact CZ-OE1 3.26Å; R184-E228 IonicContact NE-OE1 2.93Å; R184-E228 PolarHBondContact NE-OE1 3.3Å; R184-E228 IonicContact NH2-OE1 3.57Å; R184-E228 PolarHBondContact NH2-OE1 2.96Å; L185-E228 HydrophobicContact CD2-CB 3.92Å; L185-E228 HydrophobicContact CG-CB 4.28Å; L226-E228 PolarHBondContact O-N 3.04Å; E228-E230 PolarHBondContact O-N 2.96Å; E228-A231 PolarHBondContact O-N 3.24Å; E228-L232 PolarHBondContact O-N 3.48Å; E228-L232 VanDerWaalsContact O-N 3.16Å |
| 229 | V | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.5 | -33.5 | 172.5 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | L185 L226 Q227 A231 L232 V233 F242 V243 F246 L262 | L185-V229 HydrophobicContact CD2-CG2 3.74Å; L226-V229 VanDerWaalsContact O-CB 3.25Å; L226-V229 WeakPolarHBondContact O-CB 3.42Å; L226-V229 WeakPolarHBondContact O-CG2 3.04Å; L226-V229 PolarHBondContact O-N 3.24Å; Q227-V229 PolarHBondContact O-N 2.83Å; Q227-V229 VanDerWaalsContact O-N 3.1Å; V229-A231 PolarHBondContact O-N 3Å; V229-L232 PolarHBondContact O-N 3.21Å; V229-V233 HydrophobicContact CG1-CG2 4.23Å; V229-V233 WeakPolarHBondContact O-CG2 3.34Å; V229-V233 PolarHBondContact O-N 2.99Å; V229-F242 HydrophobicContact CG2-CB 3.52Å; V229-V243 HydrophobicContact CG1-CG2 4Å; V229-F246 HydrophobicContact CB-CB 4.39Å; V229-F246 HydrophobicContact CB-CD1 3.91Å; V229-F246 HydrophobicContact CB-CG 4.32Å; V229-F246 HydrophobicContact CG1-CD1 4.1Å; V229-F246 HydrophobicContact CG2-CB 4.24Å; V229-L262 HydrophobicContact CG1-CD2 4.35Å |
| 230 | E | 95.7 | Very high | 94.9 | Very high | 52 Ų | 52 | 50.4 Ų | 50.4 | 24% | 0.243 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 178.7 | -59.2 | -170.8 | 134.2 | 0 | 0 | 112.2 | Q227 E228 V233 S234 F246 R258 L262 | Q227-E230 WeakPolarHBondContact O-CB 3.3Å; Q227-E230 PolarHBondContact O-N 3.46Å; E228-E230 PolarHBondContact O-N 2.96Å; E230-V233 PolarHBondContact O-N 3.1Å; E230-S234 WeakPolarHBondContact O-CB 3.45Å; E230-S234 PolarHBondContact O-N 3.2Å; E230-S234 PolarHBondContact O-OG 2.74Å; E230-F246 HydrophobicContact CG-CE1 3.57Å; E230-F246 HydrophobicContact CG-CZ 4.15Å; E230-R258 IonicContact OE1-CZ 3.73Å; E230-R258 VanDerWaalsContact OE1-CZ 3.27Å; E230-R258 IonicContact OE1-NE 3.34Å; E230-R258 PolarHBondContact OE1-NE 3.3Å; E230-R258 IonicContact OE1-NH2 3.37Å; E230-R258 PolarHBondContact OE1-NH2 2.96Å; E230-R258 VanDerWaalsContact OE1-NH2 3.08Å; E230-R258 IonicContact OE2-CZ 3.63Å; E230-R258 IonicContact OE2-NE 3Å; E230-R258 IonicContact OE2-NH2 3.84Å; E230-R258 PolarHBondContact OE2-NH2 3.42Å; E230-L262 HydrophobicContact CB-CD1 4.4Å; E230-L262 HydrophobicContact CG-CD1 4.06Å; E230-L262 HydrophobicContact CG-CD2 4.38Å |
| 231 | A | 93.5 | Very high | 94.8 | Very high | 34 Ų | 34 | 49 Ų | 49 | 28% | 0.281 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | E228 V229 V233 S234 E235 | E228-A231 PolarHBondContact O-N 3.24Å; V229-A231 PolarHBondContact O-N 3Å; A231-V233 PolarHBondContact O-N 3.36Å; A231-S234 PolarHBondContact O-N 2.92Å; A231-E235 WeakPolarHBondContact O-CB 3.49Å; A231-E235 VanDerWaalsContact O-CG 3.25Å; A231-E235 WeakPolarHBondContact O-CG 3.41Å; A231-E235 PolarHBondContact O-N 3.19Å |
| 232 | L | 94.3 | Very high | 94.8 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 7% | 0.068 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.3 | -44.8 | 176.6 | -69.6 | 179.8 | 0 | 0 | 0 | 112.5 | L185 E228 V229 E235 G236 H237 C239 | L185-L232 HydrophobicContact CD1-CD1 3.55Å; E228-L232 PolarHBondContact O-N 3.48Å; E228-L232 VanDerWaalsContact O-N 3.16Å; V229-L232 PolarHBondContact O-N 3.21Å; L232-E235 PolarHBondContact O-N 2.9Å; L232-G236 PolarHBondContact O-N 3.37Å; L232-G236 VanDerWaalsContact O-N 3.14Å; L232-H237 HydrophobicContact CB-CB 4.21Å; L232-H237 HydrophobicContact CD2-CB 4.03Å; L232-H237 WeakPolarHBondContact O-CB 3.43Å; L232-H237 PolarHBondContact O-N 2.76Å; L232-C239 HydrophobicContact CB-CB 4.2Å; L232-C239 HydrophobicContact CD1-CB 3.88Å |
| 233 | V | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 176.8 | 167.4 | 0 | 0 | 0 | 0 | 111.1 | V229 E230 A231 E235 G236 L262 Y266 K269 | V229-V233 HydrophobicContact CG1-CG2 4.23Å; V229-V233 WeakPolarHBondContact O-CG2 3.34Å; V229-V233 PolarHBondContact O-N 2.99Å; E230-V233 PolarHBondContact O-N 3.1Å; A231-V233 PolarHBondContact O-N 3.36Å; V233-E235 VanDerWaalsContact C-N 3.32Å; V233-E235 PolarHBondContact O-N 3.14Å; V233-G236 PolarHBondContact O-N 3Å; V233-G236 VanDerWaalsContact O-N 3.08Å; V233-L262 HydrophobicContact CB-CD1 3.94Å; V233-L262 HydrophobicContact CG1-CD1 3.97Å; V233-L262 HydrophobicContact CG2-CD1 3.96Å; V233-Y266 HydrophobicContact CG1-CD2 4.36Å; V233-Y266 HydrophobicContact CG2-CD2 3.87Å; V233-Y266 HydrophobicContact CG2-CG 4.03Å; V233-K269 WeakPolarHBondContact O-CG 3.47Å |
| 234 | S | 94.4 | Very high | 94.6 | Very high | 70 Ų | 70 | 48.2 Ų | 48.2 | 49% | 0.49 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.5 | -38.6 | -179.5 | -60 | 0 | 0 | 0 | 0 | 112.4 | E230 A231 G236 K269 | E230-S234 WeakPolarHBondContact O-CB 3.45Å; E230-S234 PolarHBondContact O-N 3.2Å; E230-S234 PolarHBondContact O-OG 2.74Å; A231-S234 PolarHBondContact O-N 2.92Å; S234-G236 VanDerWaalsContact C-N 3.27Å; S234-G236 PolarHBondContact O-N 3.07Å; S234-K269 PolarHBondContact O-NZ 3.22Å |
| 235 | E | 93 | Very high | 94.6 | Very high | 100 Ų | 100 | 44 Ų | 44 | 47% | 0.467 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -74.5 | -10.7 | 175.4 | -68.9 | 166.9 | -172.8 | 0 | 0 | 112.9 | R181 A231 L232 V233 H237 | R181-E235 IonicContact CZ-OE1 2.75Å; R181-E235 IonicContact CZ-OE2 2.82Å; R181-E235 IonicContact NH1-OE1 3.9Å; R181-E235 IonicContact NH1-OE2 3.76Å; R181-E235 PolarHBondContact NH1-OE2 2.67Å; R181-E235 IonicContact NH2-OE1 2.65Å; R181-E235 PolarHBondContact NH2-OE1 3.41Å; R181-E235 VanDerWaalsContact NH2-OE1 3.08Å; R181-E235 IonicContact NH2-OE2 3.77Å; A231-E235 WeakPolarHBondContact O-CB 3.49Å; A231-E235 VanDerWaalsContact O-CG 3.25Å; A231-E235 WeakPolarHBondContact O-CG 3.41Å; A231-E235 PolarHBondContact O-N 3.19Å; L232-E235 PolarHBondContact O-N 2.9Å; V233-E235 VanDerWaalsContact C-N 3.32Å; V233-E235 PolarHBondContact O-N 3.14Å; E235-H237 VanDerWaalsContact CB-CD2 3.47Å; E235-H237 WeakPolarHBondContact CB-CD2 3.33Å; E235-H237 IonicContact OE2-CD2 3Å; E235-H237 PolarHBondContact OE2-CD2 3.27Å; E235-H237 IonicContact OE2-NE2 2.65Å; E235-H237 PolarHBondContact OE2-NE2 3.21Å |
| 236 | G | 93.2 | Very high | 94.7 | Very high | 30 Ų | 30 | 40 Ų | 40 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 21 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L232 V233 S234 V270 | L232-G236 PolarHBondContact O-N 3.37Å; L232-G236 VanDerWaalsContact O-N 3.14Å; V233-G236 PolarHBondContact O-N 3Å; V233-G236 VanDerWaalsContact O-N 3.08Å; S234-G236 VanDerWaalsContact C-N 3.27Å; S234-G236 PolarHBondContact O-N 3.07Å; G236-V270 WeakPolarHBondContact O-CG2 3.34Å |
| 237 | H | 93.2 | Very high | 94.7 | Very high | 89 Ų | 89 | 40.4 Ų | 40.4 | 41% | 0.412 | 22% | 0.217 | S | C | . | . | trans | -79.3 | 145.2 | 177.5 | -67.5 | -54.8 | 0 | 0 | 0 | 112.6 | L232 E235 C239 | L232-H237 HydrophobicContact CB-CB 4.21Å; L232-H237 HydrophobicContact CD2-CB 4.03Å; L232-H237 WeakPolarHBondContact O-CB 3.43Å; L232-H237 PolarHBondContact O-N 2.76Å; E235-H237 VanDerWaalsContact CB-CD2 3.47Å; E235-H237 WeakPolarHBondContact CB-CD2 3.33Å; E235-H237 IonicContact OE2-CD2 3Å; E235-H237 PolarHBondContact OE2-CD2 3.27Å; E235-H237 IonicContact OE2-NE2 2.65Å; E235-H237 PolarHBondContact OE2-NE2 3.21Å; H237-C239 PolarHBondContact O-N 3.43Å | ||
| 238 | L | 93.5 | Very high | 94.6 | Very high | 119 Ų | 119 | 38 Ų | 38 | 62% | 0.623 | 21% | 0.205 | S | C | * | . | trans | -76.3 | 113 | 173.8 | -134 | 162.8 | 0 | 0 | 0 | 108.8 | D240 V270 N273 | L238-D240 HydrophobicContact CD2-CB 4.29Å; L238-D240 VanDerWaalsContact CD2-OD2 3.24Å; L238-D240 WeakPolarHBondContact CD2-OD2 3.42Å; L238-V270 HydrophobicContact CG-CG1 4.45Å; L238-N273 WeakPolarHBondContact CD2-ND2 3.4Å | ||
| 239 | C | 93.7 | Very high | 94.8 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | trans | -132.1 | 28.4 | -172 | 54 | 0 | 0 | 0 | 0 | 113 | L232 H237 T241 F242 V243 Y266 | L232-C239 HydrophobicContact CB-CB 4.2Å; L232-C239 HydrophobicContact CD1-CB 3.88Å; H237-C239 PolarHBondContact O-N 3.43Å; C239-T241 PolarHBondContact O-N 2.83Å; C239-F242 PolarHBondContact O-N 3.5Å; C239-V243 HydrophobicContact CB-CG2 4.35Å; C239-V243 WeakPolarHBondContact O-CG2 3.46Å; C239-V243 PolarHBondContact O-N 2.73Å; C239-V243 VanDerWaalsContact O-N 3.14Å; C239-V243 WeakPolarHBondContact SG-CG2 3.16Å; C239-Y266 PolarHBondContact N-OH 3.38Å | ||
| 240 | D | 94.8 | Very high | 94.7 | Very high | 29 Ų | 29 | 36 Ų | 36 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -48.2 | -38.1 | -175.8 | -79.1 | -28.9 | 0 | 0 | 0 | 113.8 | L238 F242 Y266 N273 N275 Y279 | L238-D240 HydrophobicContact CD2-CB 4.29Å; L238-D240 VanDerWaalsContact CD2-OD2 3.24Å; L238-D240 WeakPolarHBondContact CD2-OD2 3.42Å; D240-F242 PolarHBondContact O-N 2.94Å; D240-Y266 WeakPolarHBondContact OD1-CE1 3.35Å; D240-Y266 PolarHBondContact OD1-OH 2.77Å; D240-N273 VanDerWaalsContact CG-ND2 3.26Å; D240-N273 PolarHBondContact OD1-ND2 3.08Å; D240-N273 PolarHBondContact OD2-ND2 3.06Å; D240-N273 PolarHBondContact OD2-OD1 3.3Å; D240-N275 VanDerWaalsContact OD1-CB 3.32Å; D240-N275 WeakPolarHBondContact OD1-CB 3.45Å; D240-N275 WeakPolarHBondContact OD2-CB 3.36Å; D240-N275 PolarHBondContact OD2-ND2 3.23Å; D240-Y279 PolarHBondContact O-OH 3.46Å; D240-Y279 WeakPolarHBondContact OD1-CE2 3.48Å |
| 241 | T | 94.2 | Very high | 94.6 | Very high | 74 Ų | 74 | 35.7 Ų | 35.7 | 45% | 0.454 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -53.8 | -38.2 | 177.7 | -50.8 | 0 | 0 | 0 | 0 | 112.7 | Y189 C239 | Y189-T241 WeakPolarHBondContact CE2-O 3.19Å; C239-T241 PolarHBondContact O-N 2.83Å |
| 242 | F | 96.2 | Very high | 94.6 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 4% | 0.044 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -105 | -25.4 | -170.9 | -52 | -64.1 | 0 | 0 | 0 | 113.4 | L182 L185 Y186 Y189 L226 V229 C239 D240 R244 A245 F246 | L182-F242 HydrophobicContact CD2-CE2 4.47Å; L185-F242 HydrophobicContact CB-CD1 3.97Å; L185-F242 HydrophobicContact CB-CD2 4.19Å; L185-F242 HydrophobicContact CB-CE1 3.69Å; L185-F242 HydrophobicContact CB-CE2 3.93Å; L185-F242 HydrophobicContact CB-CG 4.21Å; L185-F242 HydrophobicContact CB-CZ 3.67Å; L185-F242 HydrophobicContact CD1-CD2 3.96Å; L185-F242 HydrophobicContact CD1-CE2 3.86Å; L185-F242 HydrophobicContact CD1-CZ 4.42Å; L185-F242 HydrophobicContact CD2-CB 4.46Å; L185-F242 HydrophobicContact CD2-CD2 4.34Å; L185-F242 HydrophobicContact CD2-CG 4.22Å; L185-F242 HydrophobicContact CG-CD2 4.4Å; L185-F242 HydrophobicContact CG-CE2 4.41Å; Y186-F242 AromaticContact CD1-CE1 3.94Å; Y186-F242 HydrophobicContact CD1-CE1 3.94Å; Y186-F242 HydrophobicContact CD1-CZ 4.2Å; Y186-F242 HydrophobicContact CD2-CZ 4.14Å; Y186-F242 AromaticContact CE1-CE1 3.98Å; Y186-F242 HydrophobicContact CE1-CE1 3.98Å; Y186-F242 AromaticContact CE1-CZ 3.95Å; Y186-F242 HydrophobicContact CE1-CZ 3.95Å; Y186-F242 AromaticContact CE2-CZ 3.87Å; Y186-F242 HydrophobicContact CE2-CZ 3.87Å; Y186-F242 HydrophobicContact CG-CE1 4.22Å; Y186-F242 HydrophobicContact CG-CZ 4.29Å; Y186-F242 AromaticContact CZ-CZ 3.77Å; Y189-F242 HydrophobicContact CD2-CD1 4.14Å; L226-F242 HydrophobicContact CD2-CB 4.35Å; L226-F242 HydrophobicContact CD2-CD1 4.35Å; V229-F242 HydrophobicContact CG2-CB 3.52Å; C239-F242 PolarHBondContact O-N 3.5Å; D240-F242 PolarHBondContact O-N 2.94Å; F242-R244 PolarHBondContact O-N 2.75Å; F242-A245 PolarHBondContact O-N 3.04Å; F242-F246 PolarHBondContact O-N 2.83Å |
| 243 | V | 95.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.3 | -49.2 | -173.9 | 168.4 | 0 | 0 | 0 | 0 | 111.8 | V229 C239 A245 F246 I247 L263 Y266 Y279 | V229-V243 HydrophobicContact CG1-CG2 4Å; C239-V243 HydrophobicContact CB-CG2 4.35Å; C239-V243 WeakPolarHBondContact O-CG2 3.46Å; C239-V243 PolarHBondContact O-N 2.73Å; C239-V243 VanDerWaalsContact O-N 3.14Å; C239-V243 WeakPolarHBondContact SG-CG2 3.16Å; V243-A245 PolarHBondContact O-N 2.87Å; V243-F246 PolarHBondContact O-N 2.69Å; V243-I247 HydrophobicContact CG1-CG1 4.21Å; V243-I247 WeakPolarHBondContact O-CB 3.46Å; V243-I247 WeakPolarHBondContact O-CG1 3.5Å; V243-I247 PolarHBondContact O-N 3.14Å; V243-L263 HydrophobicContact CG1-CD2 3.91Å; V243-Y266 HydrophobicContact CG1-CD1 4.23Å; V243-Y266 HydrophobicContact CG2-CD1 3.97Å; V243-Y266 HydrophobicContact CG2-CE1 3.83Å; V243-Y279 HydrophobicContact CB-CE2 4.22Å; V243-Y279 HydrophobicContact CG1-CD2 3.96Å; V243-Y279 HydrophobicContact CG1-CE2 4Å; V243-Y279 HydrophobicContact CG1-CG 4.43Å |
| 244 | R | 94 | Very high | 94.4 | Very high | 93 Ų | 93 | 45 Ų | 45 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.2 | -47.2 | -179.3 | -178.7 | -179 | -77.8 | 151.8 | -18.1 | 111.9 | F242 F246 I247 E248 Y279 E282 | F242-R244 PolarHBondContact O-N 2.75Å; R244-F246 VanDerWaalsContact C-N 3.33Å; R244-F246 PolarHBondContact O-N 2.79Å; R244-I247 PolarHBondContact O-N 3.1Å; R244-E248 HydrophobicContact CG-CG 4.49Å; R244-E248 WeakPolarHBondContact O-CG 3.35Å; R244-E248 PolarHBondContact O-N 2.76Å; R244-Y279 HydrophobicContact CB-CE1 4Å; R244-E282 IonicContact CZ-OE2 2.75Å; R244-E282 IonicContact NE-OE2 3.28Å; R244-E282 PolarHBondContact NE-OE2 3.16Å; R244-E282 VanDerWaalsContact NH2-CD 3.28Å; R244-E282 IonicContact NH2-OE1 3.81Å; R244-E282 PolarHBondContact NH2-OE1 3.14Å; R244-E282 IonicContact NH2-OE2 3.35Å; R244-E282 PolarHBondContact NH2-OE2 3.13Å |
| 245 | A | 95.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111 | Y189 Y192 L226 F242 V243 I247 E248 I249 | Y189-A245 HydrophobicContact CD2-CB 3.88Å; Y189-A245 HydrophobicContact CE2-CB 3.9Å; Y192-A245 HydrophobicContact CD1-CB 3.6Å; Y192-A245 HydrophobicContact CD2-CB 3.78Å; Y192-A245 HydrophobicContact CE1-CB 3.8Å; Y192-A245 HydrophobicContact CE2-CB 3.94Å; Y192-A245 HydrophobicContact CG-CB 3.6Å; L226-A245 HydrophobicContact CD1-CB 3.94Å; F242-A245 PolarHBondContact O-N 3.04Å; V243-A245 PolarHBondContact O-N 2.87Å; A245-I247 PolarHBondContact O-N 3.38Å; A245-E248 PolarHBondContact O-N 3.37Å; A245-I249 WeakPolarHBondContact O-CG1 3.46Å; A245-I249 PolarHBondContact O-N 3.4Å |
| 246 | F | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.1 | -40.4 | 179.9 | -172 | -130.5 | 0 | 0 | 0 | 112.5 | Y223 L226 Q227 V229 E230 F242 V243 R244 E248 I249 L250 L262 | Y223-F246 HydrophobicContact CD2-CE2 4.01Å; Y223-F246 HydrophobicContact CE2-CE2 4.25Å; L226-F246 HydrophobicContact CB-CB 4.05Å; L226-F246 HydrophobicContact CB-CD2 3.57Å; L226-F246 HydrophobicContact CB-CE2 4.39Å; L226-F246 HydrophobicContact CB-CG 4.07Å; Q227-F246 HydrophobicContact CB-CE2 4.33Å; Q227-F246 HydrophobicContact CB-CZ 4.27Å; V229-F246 HydrophobicContact CB-CB 4.39Å; V229-F246 HydrophobicContact CB-CD1 3.91Å; V229-F246 HydrophobicContact CB-CG 4.32Å; V229-F246 HydrophobicContact CG1-CD1 4.1Å; V229-F246 HydrophobicContact CG2-CB 4.24Å; E230-F246 HydrophobicContact CG-CE1 3.57Å; E230-F246 HydrophobicContact CG-CZ 4.15Å; F242-F246 PolarHBondContact O-N 2.83Å; V243-F246 PolarHBondContact O-N 2.69Å; R244-F246 VanDerWaalsContact C-N 3.33Å; R244-F246 PolarHBondContact O-N 2.79Å; F246-E248 VanDerWaalsContact C-N 3.34Å; F246-E248 PolarHBondContact O-N 3.1Å; F246-I249 PolarHBondContact O-N 2.9Å; F246-L250 HydrophobicContact CD1-CD1 4.07Å; F246-L250 HydrophobicContact CD2-CG 4.37Å; F246-L250 HydrophobicContact CE1-CD1 3.71Å; F246-L250 HydrophobicContact CE1-CG 4.21Å; F246-L250 HydrophobicContact CE2-CD1 4.46Å; F246-L250 HydrophobicContact CE2-CD2 4.05Å; F246-L250 HydrophobicContact CE2-CG 4.06Å; F246-L250 HydrophobicContact CZ-CD1 3.93Å; F246-L250 HydrophobicContact CZ-CD2 3.87Å; F246-L250 HydrophobicContact CZ-CG 3.96Å; F246-L250 WeakPolarHBondContact O-CG 3.43Å; F246-L250 PolarHBondContact O-N 2.89Å; F246-L262 HydrophobicContact CD1-CD2 3.48Å; F246-L262 VanDerWaalsContact CD1-CD2 3.48Å; F246-L262 HydrophobicContact CE1-CD2 3.65Å |
| 247 | I | 95.6 | Very high | 94.4 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.046 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 175.7 | -68.2 | -64.3 | 0 | 0 | 0 | 111.7 | V243 R244 A245 L250 Q251 A259 L262 L263 W283 | V243-I247 HydrophobicContact CG1-CG1 4.21Å; V243-I247 WeakPolarHBondContact O-CB 3.46Å; V243-I247 WeakPolarHBondContact O-CG1 3.5Å; V243-I247 PolarHBondContact O-N 3.14Å; R244-I247 PolarHBondContact O-N 3.1Å; A245-I247 PolarHBondContact O-N 3.38Å; I247-L250 PolarHBondContact O-N 2.9Å; I247-Q251 VanDerWaalsContact O-CG 3.29Å; I247-Q251 WeakPolarHBondContact O-CG 3.17Å; I247-Q251 PolarHBondContact O-N 3.47Å; I247-A259 HydrophobicContact CD1-CB 3.85Å; I247-A259 WeakPolarHBondContact CD1-O 3.5Å; I247-A259 HydrophobicContact CG2-CB 4.36Å; I247-L262 HydrophobicContact CD1-CB 4.28Å; I247-L262 HydrophobicContact CD1-CD2 4Å; I247-L262 HydrophobicContact CD1-CG 4.49Å; I247-L263 HydrophobicContact CD1-CD1 4.34Å; I247-L263 HydrophobicContact CD1-CD2 4Å; I247-L263 HydrophobicContact CD1-CG 3.72Å; I247-L263 HydrophobicContact CG1-CD2 3.87Å; I247-L263 HydrophobicContact CG1-CG 4.08Å; I247-L263 HydrophobicContact CG2-CD1 4.43Å; I247-W283 HydrophobicContact CG2-CE3 4.14Å; I247-W283 HydrophobicContact CG2-CZ3 4.05Å |
| 248 | E | 94.3 | Very high | 94.4 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 13% | 0.126 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.3 | -36.6 | 179 | -71.2 | -176.7 | -171 | 0 | 0 | 112.2 | Y192 W195 R244 A245 F246 Q251 Y252 R286 | Y192-E248 HydrophobicContact CE2-CB 4.1Å; Y192-E248 PolarHBondContact OH-OE2 3.47Å; W195-E248 HydrophobicContact CH2-CB 4.46Å; W195-E248 HydrophobicContact CZ3-CB 4.46Å; R244-E248 HydrophobicContact CG-CG 4.49Å; R244-E248 WeakPolarHBondContact O-CG 3.35Å; R244-E248 PolarHBondContact O-N 2.76Å; A245-E248 PolarHBondContact O-N 3.37Å; F246-E248 VanDerWaalsContact C-N 3.34Å; F246-E248 PolarHBondContact O-N 3.1Å; E248-Q251 PolarHBondContact O-N 3.14Å; E248-Y252 PolarHBondContact O-N 3.33Å; E248-R286 IonicContact OE1-CZ 3.69Å; E248-R286 VanDerWaalsContact OE1-CZ 3.27Å; E248-R286 IonicContact OE1-NH1 3.57Å; E248-R286 PolarHBondContact OE1-NH1 2.89Å; E248-R286 IonicContact OE1-NH2 2.82Å; E248-R286 PolarHBondContact OE1-NH2 3.35Å |
| 249 | I | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.7 | -42.5 | 172.2 | -66.7 | -62.3 | 0 | 0 | 0 | 111.6 | Y192 W195 A219 A222 Y223 L226 A245 F246 Q251 Y252 F253 | Y192-I249 HydrophobicContact CD2-CD1 4.07Å; Y192-I249 HydrophobicContact CD2-CG1 3.97Å; W195-I249 HydrophobicContact CD2-CD1 3.82Å; W195-I249 HydrophobicContact CE3-CD1 3.79Å; W195-I249 HydrophobicContact CG-CD1 4.34Å; W195-I249 HydrophobicContact CH2-CD1 4.43Å; W195-I249 HydrophobicContact CZ2-CD1 4.45Å; W195-I249 HydrophobicContact CZ3-CD1 4.12Å; A219-I249 HydrophobicContact CB-CD1 4.22Å; A222-I249 HydrophobicContact CB-CD1 3.96Å; A222-I249 HydrophobicContact CB-CG1 4.08Å; Y223-I249 HydrophobicContact CD2-CG2 4.3Å; L226-I249 HydrophobicContact CD1-CG1 4.44Å; A245-I249 WeakPolarHBondContact O-CG1 3.46Å; A245-I249 PolarHBondContact O-N 3.4Å; F246-I249 PolarHBondContact O-N 2.9Å; I249-Q251 VanDerWaalsContact C-N 3.3Å; I249-Q251 PolarHBondContact O-N 3.08Å; I249-Y252 WeakPolarHBondContact O-CB 3.25Å; I249-Y252 PolarHBondContact O-N 3.29Å; I249-F253 HydrophobicContact CG2-CD2 3.84Å; I249-F253 HydrophobicContact CG2-CE2 3.7Å; I249-F253 VanDerWaalsContact O-CD2 3.27Å; I249-F253 WeakPolarHBondContact O-CD2 3.35Å; I249-F253 PolarHBondContact O-N 3.44Å; I249-F253 VanDerWaalsContact O-N 3.1Å |
| 250 | L | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.5 | -40.1 | 173.7 | -71.3 | 177.1 | 0 | 0 | 0 | 111.6 | Y223 F246 I247 Y252 F253 N254 E255 R258 A259 L262 | Y223-L250 HydrophobicContact CD2-CD2 4.2Å; Y223-L250 HydrophobicContact CE2-CD2 3.8Å; F246-L250 HydrophobicContact CD1-CD1 4.07Å; F246-L250 HydrophobicContact CD2-CG 4.37Å; F246-L250 HydrophobicContact CE1-CD1 3.71Å; F246-L250 HydrophobicContact CE1-CG 4.21Å; F246-L250 HydrophobicContact CE2-CD1 4.46Å; F246-L250 HydrophobicContact CE2-CD2 4.05Å; F246-L250 HydrophobicContact CE2-CG 4.06Å; F246-L250 HydrophobicContact CZ-CD1 3.93Å; F246-L250 HydrophobicContact CZ-CD2 3.87Å; F246-L250 HydrophobicContact CZ-CG 3.96Å; F246-L250 WeakPolarHBondContact O-CG 3.43Å; F246-L250 PolarHBondContact O-N 2.89Å; I247-L250 PolarHBondContact O-N 2.9Å; L250-Y252 VanDerWaalsContact C-N 3.32Å; L250-F253 CarbonylContact O-C 3.59Å; L250-F253 PolarHBondContact O-N 3.49Å; L250-N254 PolarHBondContact O-N 2.74Å; L250-E255 HydrophobicContact CB-CB 4.25Å; L250-E255 HydrophobicContact CD2-CB 4.07Å; L250-E255 WeakPolarHBondContact CD2-OE2 3.43Å; L250-E255 WeakPolarHBondContact O-CA 3.46Å; L250-E255 PolarHBondContact O-N 3.08Å; L250-R258 HydrophobicContact CD1-CG 4.48Å; L250-A259 HydrophobicContact CB-CB 3.88Å; L250-A259 HydrophobicContact CD1-CB 3.97Å; L250-L262 HydrophobicContact CD1-CD2 4.48Å |
| 251 | Q | 93 | Very high | 94.5 | Very high | 46 Ų | 46 | 42.9 Ų | 42.9 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 174.7 | -73.2 | -177.9 | -52.5 | 0 | 0 | 112 | I247 E248 I249 F253 N254 W283 | I247-Q251 VanDerWaalsContact O-CG 3.29Å; I247-Q251 WeakPolarHBondContact O-CG 3.17Å; I247-Q251 PolarHBondContact O-N 3.47Å; E248-Q251 PolarHBondContact O-N 3.14Å; I249-Q251 VanDerWaalsContact C-N 3.3Å; I249-Q251 PolarHBondContact O-N 3.08Å; Q251-F253 VanDerWaalsContact C-N 3.35Å; Q251-F253 PolarHBondContact O-N 3.24Å; Q251-N254 PolarHBondContact O-N 2.95Å; Q251-N254 VanDerWaalsContact O-N 3.08Å; Q251-W283 HydrophobicContact CG-CH2 4.21Å; Q251-W283 HydrophobicContact CG-CZ3 3.77Å |
| 252 | Y | 93.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 40 Ų | 40 | 28% | 0.278 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.9 | -44.9 | 175.4 | -175.8 | -102.4 | 0 | 0 | 0 | 112 | W195 I199 D216 A219 E248 I249 L250 N254 | W195-Y252 AromaticContact CZ2-CD2 3.53Å; W195-Y252 HydrophobicContact CZ2-CD2 3.53Å; W195-Y252 HydrophobicContact CZ2-CE2 4.2Å; W195-Y252 AromaticContact CZ2-CG 3.76Å; W195-Y252 HydrophobicContact CZ2-CG 3.76Å; W195-Y252 AromaticContact NE1-CD2 3.86Å; W195-Y252 AromaticContact NE1-CE2 3.74Å; W195-Y252 AromaticContact NE1-CZ 3.88Å; I199-Y252 HydrophobicContact CD1-CE2 3.81Å; D216-Y252 WeakPolarHBondContact OD1-CE1 3.48Å; D216-Y252 VanDerWaalsContact OD1-CZ 3.29Å; D216-Y252 PolarHBondContact OD1-OH 3.25Å; A219-Y252 HydrophobicContact CB-CD1 3.66Å; A219-Y252 HydrophobicContact CB-CE1 3.67Å; E248-Y252 PolarHBondContact O-N 3.33Å; I249-Y252 WeakPolarHBondContact O-CB 3.25Å; I249-Y252 PolarHBondContact O-N 3.29Å; L250-Y252 VanDerWaalsContact C-N 3.32Å; Y252-N254 PolarHBondContact O-N 3.18Å |
| 253 | F | 93.9 | Very high | 94.6 | Very high | 73 Ų | 73 | 39.7 Ų | 39.7 | 32% | 0.32 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 13.7 | 175.3 | -67.2 | -61.3 | 0 | 0 | 0 | 114.5 | A219 E220 Y223 I249 L250 Q251 E255 | A219-F253 HydrophobicContact CB-CE2 3.91Å; A219-F253 HydrophobicContact CB-CZ 3.61Å; E220-F253 HydrophobicContact CB-CZ 4.32Å; Y223-F253 HydrophobicContact CD2-CD2 4.35Å; Y223-F253 HydrophobicContact CG-CE2 4.38Å; I249-F253 HydrophobicContact CG2-CD2 3.84Å; I249-F253 HydrophobicContact CG2-CE2 3.7Å; I249-F253 VanDerWaalsContact O-CD2 3.27Å; I249-F253 WeakPolarHBondContact O-CD2 3.35Å; I249-F253 PolarHBondContact O-N 3.44Å; I249-F253 VanDerWaalsContact O-N 3.1Å; L250-F253 CarbonylContact O-C 3.59Å; L250-F253 PolarHBondContact O-N 3.49Å; Q251-F253 VanDerWaalsContact C-N 3.35Å; Q251-F253 PolarHBondContact O-N 3.24Å; F253-E255 HydrophobicContact CB-CG 4.43Å; F253-E255 PolarHBondContact O-N 3.46Å |
| 254 | N | 92.3 | Very high | 94.5 | Very high | 98 Ų | 98 | 42.3 Ų | 42.3 | 52% | 0.524 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 21.1 | -179 | -160 | 29.1 | 0 | 0 | 0 | 114.9 | L250 Q251 Y252 C256 | L250-N254 PolarHBondContact O-N 2.74Å; Q251-N254 PolarHBondContact O-N 2.95Å; Q251-N254 VanDerWaalsContact O-N 3.08Å; Y252-N254 PolarHBondContact O-N 3.18Å; N254-C256 PolarHBondContact O-N 3.44Å |
| 255 | E | 93.9 | Very high | 94.6 | Very high | 62 Ų | 62 | 39.4 Ų | 39.4 | 29% | 0.29 | 21% | 0.208 | S | C | . | . | trans | -85.2 | 45.6 | 176 | -63.6 | -166.2 | -163 | 0 | 0 | 112 | L250 F253 T257 R258 A259 | L250-E255 HydrophobicContact CB-CB 4.25Å; L250-E255 HydrophobicContact CD2-CB 4.07Å; L250-E255 WeakPolarHBondContact CD2-OE2 3.43Å; L250-E255 WeakPolarHBondContact O-CA 3.46Å; L250-E255 PolarHBondContact O-N 3.08Å; F253-E255 HydrophobicContact CB-CG 4.43Å; F253-E255 PolarHBondContact O-N 3.46Å; E255-T257 VanDerWaalsContact C-N 3.3Å; E255-T257 PolarHBondContact O-N 3.01Å; E255-R258 HydrophobicContact CB-CB 4.26Å; E255-R258 PolarHBondContact O-N 2.9Å; E255-R258 VanDerWaalsContact O-N 3.15Å; E255-R258 IonicContact OE1-NH1 2.62Å; E255-R258 WeakPolarHBondContact OE2-CD 3.38Å; E255-R258 IonicContact OE2-CZ 3.65Å; E255-R258 IonicContact OE2-NE 3.65Å; E255-R258 IonicContact OE2-NH1 2.73Å; E255-R258 PolarHBondContact OE2-NH1 3.16Å; E255-A259 PolarHBondContact O-N 2.98Å | ||
| 256 | C | 92.3 | Very high | 94.6 | Very high | 37 Ų | 37 | 39.4 Ų | 39.4 | 25% | 0.25 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.3 | -36.8 | -172.8 | -74.1 | 0 | 0 | 0 | 0 | 113.4 | N254 H260 W283 | N254-C256 PolarHBondContact O-N 3.44Å; C256-H260 WeakPolarHBondContact O-CB 3.24Å; C256-H260 PolarHBondContact O-N 3.03Å; C256-W283 HydrophobicContact CB-CH2 4.1Å; C256-W283 HydrophobicContact CB-CZ2 4.41Å; C256-W283 WeakPolarHBondContact O-CH2 3.46Å; C256-W283 WeakPolarHBondContact O-CZ2 3.23Å |
| 257 | T | 93.1 | Very high | 94.4 | Very high | 126 Ų | 126 | 40.3 Ų | 40.3 | 77% | 0.773 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -64.9 | -42.6 | 178.1 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | E255 H260 A261 | E255-T257 VanDerWaalsContact C-N 3.3Å; E255-T257 PolarHBondContact O-N 3.01Å; T257-H260 PolarHBondContact O-N 3.06Å; T257-A261 WeakPolarHBondContact O-CB 3.45Å; T257-A261 PolarHBondContact O-N 3.1Å |
| 258 | R | 94.3 | Very high | 94.4 | Very high | 71 Ų | 71 | 47.1 Ų | 47.1 | 27% | 0.268 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.6 | -43.9 | 178.4 | -171.7 | -173.8 | 177.9 | -176.3 | -2.9 | 111 | Y223 E230 L250 E255 H260 A261 L262 | Y223-R258 PolarHBondContact OH-NH1 2.9Å; E230-R258 IonicContact OE1-CZ 3.73Å; E230-R258 VanDerWaalsContact OE1-CZ 3.27Å; E230-R258 IonicContact OE1-NE 3.34Å; E230-R258 PolarHBondContact OE1-NE 3.3Å; E230-R258 IonicContact OE1-NH2 3.37Å; E230-R258 PolarHBondContact OE1-NH2 2.96Å; E230-R258 VanDerWaalsContact OE1-NH2 3.08Å; E230-R258 IonicContact OE2-CZ 3.63Å; E230-R258 IonicContact OE2-NE 3Å; E230-R258 IonicContact OE2-NH2 3.84Å; E230-R258 PolarHBondContact OE2-NH2 3.42Å; L250-R258 HydrophobicContact CD1-CG 4.48Å; E255-R258 HydrophobicContact CB-CB 4.26Å; E255-R258 PolarHBondContact O-N 2.9Å; E255-R258 VanDerWaalsContact O-N 3.15Å; E255-R258 IonicContact OE1-NH1 2.62Å; E255-R258 WeakPolarHBondContact OE2-CD 3.38Å; E255-R258 IonicContact OE2-CZ 3.65Å; E255-R258 IonicContact OE2-NE 3.65Å; E255-R258 IonicContact OE2-NH1 2.73Å; E255-R258 PolarHBondContact OE2-NH1 3.16Å; R258-H260 VanDerWaalsContact C-N 3.32Å; R258-H260 PolarHBondContact O-N 3.31Å; R258-A261 PolarHBondContact O-N 3.38Å; R258-L262 WeakPolarHBondContact O-CB 3.45Å; R258-L262 PolarHBondContact O-N 2.91Å |
| 259 | A | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.7 | -45 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I247 L250 E255 L262 L263 W283 | I247-A259 HydrophobicContact CD1-CB 3.85Å; I247-A259 WeakPolarHBondContact CD1-O 3.5Å; I247-A259 HydrophobicContact CG2-CB 4.36Å; L250-A259 HydrophobicContact CB-CB 3.88Å; L250-A259 HydrophobicContact CD1-CB 3.97Å; E255-A259 PolarHBondContact O-N 2.98Å; A259-L262 PolarHBondContact O-N 3.35Å; A259-L263 WeakPolarHBondContact O-CG 3.47Å; A259-L263 PolarHBondContact O-N 2.89Å; A259-L263 VanDerWaalsContact O-N 3.12Å; A259-W283 HydrophobicContact CB-CH2 3.72Å; A259-W283 HydrophobicContact CB-CZ3 3.6Å |
| 260 | H | 93.8 | Very high | 94.2 | Very high | 47 Ų | 47 | 52.2 Ų | 52.2 | 22% | 0.218 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 177.1 | -172.4 | -131.6 | 0 | 0 | 0 | 112.6 | C256 T257 R258 L262 L263 L264 W283 Y284 | C256-H260 WeakPolarHBondContact O-CB 3.24Å; C256-H260 PolarHBondContact O-N 3.03Å; T257-H260 PolarHBondContact O-N 3.06Å; R258-H260 VanDerWaalsContact C-N 3.32Å; R258-H260 PolarHBondContact O-N 3.31Å; H260-L262 VanDerWaalsContact C-N 3.31Å; H260-L262 PolarHBondContact O-N 3.18Å; H260-L263 PolarHBondContact O-N 2.97Å; H260-L264 WeakPolarHBondContact O-CG 3.24Å; H260-L264 PolarHBondContact O-N 2.81Å; H260-W283 HydrophobicContact CB-CH2 4.28Å; H260-W283 HydrophobicContact CB-CZ2 3.64Å; H260-W283 AromaticContact CD2-CD1 3.59Å; H260-W283 AromaticContact CD2-CE2 3.87Å; H260-W283 AromaticContact CD2-NE1 3.32Å; H260-W283 PolarHBondContact CD2-NE1 3.46Å; H260-W283 VanDerWaalsContact CD2-NE1 3.32Å; H260-W283 AromaticContact CG-NE1 3.73Å; H260-Y284 AromaticContact NE2-CZ 3.88Å; H260-Y284 PolarHBondContact NE2-OH 3.43Å |
| 261 | A | 95.4 | Very high | 93.9 | Very high | 54 Ų | 54 | 55 Ų | 55 | 45% | 0.446 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | T257 R258 L264 S265 | T257-A261 WeakPolarHBondContact O-CB 3.45Å; T257-A261 PolarHBondContact O-N 3.1Å; R258-A261 PolarHBondContact O-N 3.38Å; A261-L264 PolarHBondContact O-N 2.91Å; A261-S265 WeakPolarHBondContact O-CB 3.21Å; A261-S265 PolarHBondContact O-N 3.03Å |
| 262 | L | 96.4 | Very high | 93.7 | Very high | 13 Ų | 13 | 60.2 Ų | 60.2 | 7% | 0.068 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 176.5 | -175.4 | 65.4 | 0 | 0 | 0 | 111.9 | V229 E230 V233 F246 I247 L250 R258 A259 H260 L264 S265 Y266 | V229-L262 HydrophobicContact CG1-CD2 4.35Å; E230-L262 HydrophobicContact CB-CD1 4.4Å; E230-L262 HydrophobicContact CG-CD1 4.06Å; E230-L262 HydrophobicContact CG-CD2 4.38Å; V233-L262 HydrophobicContact CB-CD1 3.94Å; V233-L262 HydrophobicContact CG1-CD1 3.97Å; V233-L262 HydrophobicContact CG2-CD1 3.96Å; F246-L262 HydrophobicContact CD1-CD2 3.48Å; F246-L262 VanDerWaalsContact CD1-CD2 3.48Å; F246-L262 HydrophobicContact CE1-CD2 3.65Å; I247-L262 HydrophobicContact CD1-CB 4.28Å; I247-L262 HydrophobicContact CD1-CD2 4Å; I247-L262 HydrophobicContact CD1-CG 4.49Å; L250-L262 HydrophobicContact CD1-CD2 4.48Å; R258-L262 WeakPolarHBondContact O-CB 3.45Å; R258-L262 PolarHBondContact O-N 2.91Å; A259-L262 PolarHBondContact O-N 3.35Å; H260-L262 VanDerWaalsContact C-N 3.31Å; H260-L262 PolarHBondContact O-N 3.18Å; L262-L264 VanDerWaalsContact C-N 3.34Å; L262-L264 PolarHBondContact O-N 3.14Å; L262-S265 PolarHBondContact O-N 3.08Å; L262-Y266 WeakPolarHBondContact O-CB 3.39Å; L262-Y266 PolarHBondContact O-N 3.1Å |
| 263 | L | 94.9 | Very high | 93.6 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 176 | -72 | 179.2 | 0 | 0 | 0 | 112.6 | V243 I247 A259 H260 Y266 A267 Y279 L280 W283 | V243-L263 HydrophobicContact CG1-CD2 3.91Å; I247-L263 HydrophobicContact CD1-CD1 4.34Å; I247-L263 HydrophobicContact CD1-CD2 4Å; I247-L263 HydrophobicContact CD1-CG 3.72Å; I247-L263 HydrophobicContact CG1-CD2 3.87Å; I247-L263 HydrophobicContact CG1-CG 4.08Å; I247-L263 HydrophobicContact CG2-CD1 4.43Å; A259-L263 WeakPolarHBondContact O-CG 3.47Å; A259-L263 PolarHBondContact O-N 2.89Å; A259-L263 VanDerWaalsContact O-N 3.12Å; H260-L263 PolarHBondContact O-N 2.97Å; L263-Y266 PolarHBondContact O-N 3.34Å; L263-A267 PolarHBondContact O-N 3.47Å; L263-Y279 HydrophobicContact CD2-CG 4.27Å; L263-L280 HydrophobicContact CB-CD2 3.84Å; L263-L280 HydrophobicContact CB-CG 4.49Å; L263-W283 HydrophobicContact CD1-CB 3.92Å; L263-W283 HydrophobicContact CD1-CD2 4.14Å; L263-W283 HydrophobicContact CD1-CE3 3.86Å; L263-W283 HydrophobicContact CD1-CG 4.18Å |
| 264 | L | 94.1 | Very high | 93.4 | Very high | 55 Ų | 55 | 55.8 Ų | 55.8 | 29% | 0.288 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 175.6 | -71.3 | 174.5 | 0 | 0 | 0 | 111.4 | H260 A261 L262 Y266 A267 Q268 L280 | H260-L264 WeakPolarHBondContact O-CG 3.24Å; H260-L264 PolarHBondContact O-N 2.81Å; A261-L264 PolarHBondContact O-N 2.91Å; L262-L264 VanDerWaalsContact C-N 3.34Å; L262-L264 PolarHBondContact O-N 3.14Å; L264-Y266 VanDerWaalsContact C-N 3.3Å; L264-Y266 PolarHBondContact O-N 3.18Å; L264-A267 PolarHBondContact O-N 3.19Å; L264-Q268 WeakPolarHBondContact O-CG 3.43Å; L264-Q268 PolarHBondContact O-N 2.62Å; L264-L280 HydrophobicContact CD2-CD2 3.95Å; L264-L280 HydrophobicContact CG-CD2 4.43Å |
| 265 | S | 95.8 | Very high | 93.4 | Very high | 32 Ų | 32 | 53.3 Ų | 53.3 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 175.4 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | A261 L262 A267 Q268 K269 | A261-S265 WeakPolarHBondContact O-CB 3.21Å; A261-S265 PolarHBondContact O-N 3.03Å; L262-S265 PolarHBondContact O-N 3.08Å; S265-A267 PolarHBondContact O-N 2.92Å; S265-Q268 PolarHBondContact O-N 3.24Å; S265-K269 WeakPolarHBondContact O-CB 3.25Å; S265-K269 VanDerWaalsContact O-CG 3.28Å; S265-K269 WeakPolarHBondContact O-CG 3.28Å; S265-K269 PolarHBondContact O-N 3.35Å |
| 266 | Y | 96.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 178.9 | -171.5 | -143.7 | 0 | 0 | 0 | 112.5 | V233 C239 D240 V243 L262 L263 L264 Q268 K269 V270 N273 T276 Y279 | V233-Y266 HydrophobicContact CG1-CD2 4.36Å; V233-Y266 HydrophobicContact CG2-CD2 3.87Å; V233-Y266 HydrophobicContact CG2-CG 4.03Å; C239-Y266 PolarHBondContact N-OH 3.38Å; D240-Y266 WeakPolarHBondContact OD1-CE1 3.35Å; D240-Y266 PolarHBondContact OD1-OH 2.77Å; V243-Y266 HydrophobicContact CG1-CD1 4.23Å; V243-Y266 HydrophobicContact CG2-CD1 3.97Å; V243-Y266 HydrophobicContact CG2-CE1 3.83Å; L262-Y266 WeakPolarHBondContact O-CB 3.39Å; L262-Y266 PolarHBondContact O-N 3.1Å; L263-Y266 PolarHBondContact O-N 3.34Å; L264-Y266 VanDerWaalsContact C-N 3.3Å; L264-Y266 PolarHBondContact O-N 3.18Å; Y266-Q268 VanDerWaalsContact C-N 3.31Å; Y266-Q268 PolarHBondContact O-N 3.25Å; Y266-K269 PolarHBondContact O-N 2.83Å; Y266-V270 HydrophobicContact CD2-CB 4.37Å; Y266-V270 HydrophobicContact CD2-CG2 3.99Å; Y266-V270 HydrophobicContact CE2-CB 4.01Å; Y266-V270 HydrophobicContact CE2-CG2 3.64Å; Y266-V270 PolarHBondContact O-N 3.24Å; Y266-N273 PolarHBondContact OH-ND2 2.94Å; Y266-N273 VanDerWaalsContact OH-ND2 3.1Å; Y266-T276 HydrophobicContact CD1-CG2 3.75Å; Y266-T276 HydrophobicContact CD2-CG2 4.46Å; Y266-T276 HydrophobicContact CE1-CG2 3.8Å; Y266-T276 HydrophobicContact CG-CG2 4.08Å; Y266-Y279 HydrophobicContact CE1-CD2 4.42Å; Y266-Y279 HydrophobicContact CE1-CE2 4.25Å |
| 267 | A | 93.2 | Very high | 93.2 | Very high | 19 Ų | 19 | 49.4 Ų | 49.4 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.2 | -31.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L263 L264 S265 P271 L280 | L263-A267 PolarHBondContact O-N 3.47Å; L264-A267 PolarHBondContact O-N 3.19Å; S265-A267 PolarHBondContact O-N 2.92Å; A267-P271 WeakPolarHBondContact O-CA 3.4Å; A267-L280 HydrophobicContact CB-CD1 3.73Å |
| 268 | Q | 94.4 | Very high | 93 | Very high | 152 Ų | 152 | 45.8 Ų | 45.8 | 71% | 0.71 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -75.1 | -40.5 | 176.1 | -73.6 | 172.6 | -6.3 | 0 | 0 | 112.4 | L264 S265 Y266 | L264-Q268 WeakPolarHBondContact O-CG 3.43Å; L264-Q268 PolarHBondContact O-N 2.62Å; S265-Q268 PolarHBondContact O-N 3.24Å; Y266-Q268 VanDerWaalsContact C-N 3.31Å; Y266-Q268 PolarHBondContact O-N 3.25Å |
| 269 | K | 94.7 | Very high | 92.9 | Very high | 114 Ų | 114 | 43.1 Ų | 43.1 | 50% | 0.496 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -79.3 | -32.2 | -175.4 | -71.7 | -79.7 | -177.9 | 157.7 | 0 | 113.2 | V233 S234 S265 Y266 P271 | V233-K269 WeakPolarHBondContact O-CG 3.47Å; S234-K269 PolarHBondContact O-NZ 3.22Å; S265-K269 WeakPolarHBondContact O-CB 3.25Å; S265-K269 VanDerWaalsContact O-CG 3.28Å; S265-K269 WeakPolarHBondContact O-CG 3.28Å; S265-K269 PolarHBondContact O-N 3.35Å; Y266-K269 PolarHBondContact O-N 2.83Å; K269-P271 VanDerWaalsContact C-CD 3.41Å; K269-P271 WeakPolarHBondContact O-CD 3.39Å |
| 270 | V | 91.4 | Very high | 92.7 | Very high | 21 Ų | 21 | 43.2 Ų | 43.2 | 13% | 0.127 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -125.2 | 64.9 | 178.5 | -165.5 | 0 | 0 | 0 | 0 | 109.6 | G236 L238 Y266 E272 N273 | G236-V270 WeakPolarHBondContact O-CG2 3.34Å; L238-V270 HydrophobicContact CG-CG1 4.45Å; Y266-V270 HydrophobicContact CD2-CB 4.37Å; Y266-V270 HydrophobicContact CD2-CG2 3.99Å; Y266-V270 HydrophobicContact CE2-CB 4.01Å; Y266-V270 HydrophobicContact CE2-CG2 3.64Å; Y266-V270 PolarHBondContact O-N 3.24Å; V270-E272 PolarHBondContact O-N 3.02Å; V270-N273 HydrophobicContact CB-CB 4.41Å; V270-N273 HydrophobicContact CG1-CB 3.64Å; V270-N273 PolarHBondContact O-N 3.17Å |
| 271 | P | 89.5 | Confident | 92.4 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 38% | 0.377 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -22.2 | -171.4 | 28.4 | -36 | 0 | 0 | 0 | 112.7 | A267 K269 R359 | A267-P271 WeakPolarHBondContact O-CA 3.4Å; K269-P271 VanDerWaalsContact C-CD 3.41Å; K269-P271 WeakPolarHBondContact O-CD 3.39Å; P271-R359 PolarHBondContact O-NH1 3.36Å; P271-R359 PolarHBondContact O-NH2 2.9Å |
| 272 | E | 89 | Confident | 92.1 | Very high | 156 Ų | 156 | 40.8 Ų | 40.8 | 73% | 0.729 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -21.7 | 179 | -60.8 | -51.9 | 143.1 | 0 | 0 | 113.3 | V270 P274 | V270-E272 PolarHBondContact O-N 3.02Å; E272-P274 VanDerWaalsContact O-CD 3.24Å; E272-P274 WeakPolarHBondContact O-CD 3.18Å |
| 273 | N | 91.2 | Very high | 91.7 | Very high | 13 Ų | 13 | 41 Ų | 41 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | trans | -74.9 | 115 | -178.2 | 178.7 | 8.1 | 0 | 0 | 0 | 110.8 | L238 D240 Y266 V270 N275 T276 | L238-N273 WeakPolarHBondContact CD2-ND2 3.4Å; D240-N273 VanDerWaalsContact CG-ND2 3.26Å; D240-N273 PolarHBondContact OD1-ND2 3.08Å; D240-N273 PolarHBondContact OD2-ND2 3.06Å; D240-N273 PolarHBondContact OD2-OD1 3.3Å; Y266-N273 PolarHBondContact OH-ND2 2.94Å; Y266-N273 VanDerWaalsContact OH-ND2 3.1Å; V270-N273 HydrophobicContact CB-CB 4.41Å; V270-N273 HydrophobicContact CG1-CB 3.64Å; V270-N273 PolarHBondContact O-N 3.17Å; N273-N275 PolarHBondContact O-N 3.22Å; N273-N275 WeakPolarHBondContact OD1-CB 3.33Å; N273-N275 PolarHBondContact OD1-N 3.49Å; N273-T276 HydrophobicContact CB-CG2 4.09Å; N273-T276 PolarHBondContact O-N 2.95Å; N273-T276 PolarHBondContact O-OG1 3.49Å | ||
| 274 | P | 90.5 | Very high | 91.4 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 25% | 0.247 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.3 | -23.9 | 179.3 | 27.7 | -35.2 | 0 | 0 | 0 | 113.2 | E272 T276 L277 R278 F356 R359 T360 | E272-P274 VanDerWaalsContact O-CD 3.24Å; E272-P274 WeakPolarHBondContact O-CD 3.18Å; P274-T276 PolarHBondContact O-N 3.23Å; P274-L277 WeakPolarHBondContact O-CB 3.34Å; P274-L277 PolarHBondContact O-N 3.19Å; P274-L277 VanDerWaalsContact O-N 3.14Å; P274-R278 PolarHBondContact O-N 3.19Å; P274-F356 HydrophobicContact CB-CD2 4.04Å; P274-F356 HydrophobicContact CB-CE2 4.02Å; P274-F356 WeakPolarHBondContact O-CD2 3.38Å; P274-R359 HydrophobicContact CB-CB 4.34Å; P274-T360 HydrophobicContact CB-CG2 3.91Å; P274-T360 HydrophobicContact CG-CG2 4.27Å |
| 275 | N | 91.3 | Very high | 90.9 | Very high | 45 Ų | 45 | 45.2 Ų | 45.2 | 24% | 0.241 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.8 | -28.5 | 178.5 | -76.9 | -44.8 | 0 | 0 | 0 | 112.9 | D240 N273 L277 R278 Y279 | D240-N275 VanDerWaalsContact OD1-CB 3.32Å; D240-N275 WeakPolarHBondContact OD1-CB 3.45Å; D240-N275 WeakPolarHBondContact OD2-CB 3.36Å; D240-N275 PolarHBondContact OD2-ND2 3.23Å; N273-N275 PolarHBondContact O-N 3.22Å; N273-N275 WeakPolarHBondContact OD1-CB 3.33Å; N273-N275 PolarHBondContact OD1-N 3.49Å; N275-L277 VanDerWaalsContact C-N 3.29Å; N275-L277 PolarHBondContact O-N 2.86Å; N275-R278 WeakPolarHBondContact O-CA 3.37Å; N275-R278 WeakPolarHBondContact O-CB 3.47Å; N275-R278 PolarHBondContact O-N 3.39Å; N275-R278 VanDerWaalsContact O-N 3.08Å; N275-R278 PolarHBondContact OD1-NE 3.49Å; N275-R278 PolarHBondContact OD1-NH2 2.62Å; N275-Y279 HydrophobicContact CB-CD2 4.47Å; N275-Y279 HydrophobicContact CB-CE2 3.93Å; N275-Y279 WeakPolarHBondContact O-CD2 3.48Å; N275-Y279 PolarHBondContact O-N 3.08Å |
| 276 | T | 91.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.8 | -43.2 | 174.6 | 63.5 | 0 | 0 | 0 | 0 | 111.5 | Y266 N273 P274 Y279 L280 | Y266-T276 HydrophobicContact CD1-CG2 3.75Å; Y266-T276 HydrophobicContact CD2-CG2 4.46Å; Y266-T276 HydrophobicContact CE1-CG2 3.8Å; Y266-T276 HydrophobicContact CG-CG2 4.08Å; N273-T276 HydrophobicContact CB-CG2 4.09Å; N273-T276 PolarHBondContact O-N 2.95Å; N273-T276 PolarHBondContact O-OG1 3.49Å; P274-T276 PolarHBondContact O-N 3.23Å; T276-Y279 PolarHBondContact O-N 3.17Å; T276-L280 WeakPolarHBondContact O-CG 3.38Å; T276-L280 PolarHBondContact O-N 3.48Å; T276-L280 VanDerWaalsContact O-N 3.09Å |
| 277 | L | 91.2 | Very high | 89.1 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.3 | -36.9 | 175.5 | -58.2 | 176.6 | 0 | 0 | 0 | 111.6 | P274 N275 L280 C281 Y352 F356 | P274-L277 WeakPolarHBondContact O-CB 3.34Å; P274-L277 PolarHBondContact O-N 3.19Å; P274-L277 VanDerWaalsContact O-N 3.14Å; N275-L277 VanDerWaalsContact C-N 3.29Å; N275-L277 PolarHBondContact O-N 2.86Å; L277-L280 PolarHBondContact O-N 3.4Å; L277-C281 WeakPolarHBondContact O-CB 3.25Å; L277-C281 PolarHBondContact O-N 2.79Å; L277-C281 PolarHBondContact O-SG 2.83Å; L277-Y352 HydrophobicContact CD2-CD1 3.86Å; L277-Y352 HydrophobicContact CD2-CE1 4.43Å; L277-F356 HydrophobicContact CB-CB 4.15Å; L277-F356 HydrophobicContact CB-CD2 4.47Å; L277-F356 HydrophobicContact CD1-CB 4.3Å |
| 278 | R | 89.6 | Confident | 87.3 | Confident | 51 Ų | 51 | 56.1 Ų | 56.1 | 19% | 0.192 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 175.8 | -172.4 | -179.3 | 56.1 | 65.5 | -3 | 111.2 | P274 N275 C281 E282 F356 | P274-R278 PolarHBondContact O-N 3.19Å; N275-R278 WeakPolarHBondContact O-CA 3.37Å; N275-R278 WeakPolarHBondContact O-CB 3.47Å; N275-R278 PolarHBondContact O-N 3.39Å; N275-R278 VanDerWaalsContact O-N 3.08Å; N275-R278 PolarHBondContact OD1-NE 3.49Å; N275-R278 PolarHBondContact OD1-NH2 2.62Å; R278-C281 WeakPolarHBondContact O-CB 3.36Å; R278-C281 PolarHBondContact O-N 3.13Å; R278-E282 IonicContact CZ-OE1 3.94Å; R278-E282 IonicContact NH1-OE1 3.16Å; R278-E282 PolarHBondContact NH1-OE1 3.18Å; R278-E282 IonicContact NH1-OE2 3.18Å; R278-E282 PolarHBondContact NH1-OE2 3.37Å; R278-E282 WeakPolarHBondContact O-CG 3.3Å; R278-E282 PolarHBondContact O-N 2.87Å; R278-F356 HydrophobicContact CB-CD2 4.22Å; R278-F356 HydrophobicContact CB-CE2 4.03Å |
| 279 | Y | 91.4 | Very high | 84.7 | Confident | 14 Ų | 14 | 53.8 Ų | 53.8 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.9 | -63.3 | -50.3 | 0 | 0 | 0 | 112.4 | D240 V243 R244 L263 Y266 N275 T276 C281 E282 W283 | D240-Y279 PolarHBondContact O-OH 3.46Å; D240-Y279 WeakPolarHBondContact OD1-CE2 3.48Å; V243-Y279 HydrophobicContact CB-CE2 4.22Å; V243-Y279 HydrophobicContact CG1-CD2 3.96Å; V243-Y279 HydrophobicContact CG1-CE2 4Å; V243-Y279 HydrophobicContact CG1-CG 4.43Å; R244-Y279 HydrophobicContact CB-CE1 4Å; L263-Y279 HydrophobicContact CD2-CG 4.27Å; Y266-Y279 HydrophobicContact CE1-CD2 4.42Å; Y266-Y279 HydrophobicContact CE1-CE2 4.25Å; N275-Y279 HydrophobicContact CB-CD2 4.47Å; N275-Y279 HydrophobicContact CB-CE2 3.93Å; N275-Y279 WeakPolarHBondContact O-CD2 3.48Å; N275-Y279 PolarHBondContact O-N 3.08Å; T276-Y279 PolarHBondContact O-N 3.17Å; Y279-C281 VanDerWaalsContact C-N 3.33Å; Y279-C281 PolarHBondContact O-N 3.28Å; Y279-E282 PolarHBondContact O-N 2.93Å; Y279-W283 WeakPolarHBondContact O-CB 3.32Å; Y279-W283 PolarHBondContact O-N 3.23Å |
| 280 | L | 91.5 | Very high | 81.7 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 173.3 | -71.8 | 168.4 | 0 | 0 | 0 | 111.4 | L263 L264 A267 T276 L277 E282 W283 Y284 Y352 | L263-L280 HydrophobicContact CB-CD2 3.84Å; L263-L280 HydrophobicContact CB-CG 4.49Å; L264-L280 HydrophobicContact CD2-CD2 3.95Å; L264-L280 HydrophobicContact CG-CD2 4.43Å; A267-L280 HydrophobicContact CB-CD1 3.73Å; T276-L280 WeakPolarHBondContact O-CG 3.38Å; T276-L280 PolarHBondContact O-N 3.48Å; T276-L280 VanDerWaalsContact O-N 3.09Å; L277-L280 PolarHBondContact O-N 3.4Å; L280-E282 PolarHBondContact O-N 2.9Å; L280-W283 WeakPolarHBondContact O-CB 3.29Å; L280-W283 PolarHBondContact O-N 2.95Å; L280-Y284 WeakPolarHBondContact O-CD2 3.49Å; L280-Y284 PolarHBondContact O-N 3.5Å; L280-Y284 VanDerWaalsContact O-N 3.11Å; L280-Y352 HydrophobicContact CB-CD1 4.47Å; L280-Y352 HydrophobicContact CB-CD2 4.01Å; L280-Y352 HydrophobicContact CB-CE1 4.43Å; L280-Y352 HydrophobicContact CB-CE2 3.95Å; L280-Y352 HydrophobicContact CB-CG 4.27Å; L280-Y352 HydrophobicContact CD1-CD1 4.37Å; L280-Y352 HydrophobicContact CD1-CE1 3.8Å |
| 281 | C | 87.9 | Confident | 79.1 | Confident | 8 Ų | 8 | 57.3 Ų | 57.3 | 5% | 0.054 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.7 | -48 | 173.4 | -73.1 | 0 | 0 | 0 | 0 | 112.4 | L277 R278 Y279 W283 Y284 K285 Y352 R353 | L277-C281 WeakPolarHBondContact O-CB 3.25Å; L277-C281 PolarHBondContact O-N 2.79Å; L277-C281 PolarHBondContact O-SG 2.83Å; R278-C281 WeakPolarHBondContact O-CB 3.36Å; R278-C281 PolarHBondContact O-N 3.13Å; Y279-C281 VanDerWaalsContact C-N 3.33Å; Y279-C281 PolarHBondContact O-N 3.28Å; C281-W283 VanDerWaalsContact C-N 3.34Å; C281-Y284 PolarHBondContact O-N 3.35Å; C281-K285 WeakPolarHBondContact O-CG 3.3Å; C281-K285 PolarHBondContact O-N 3.14Å; C281-K285 VanDerWaalsContact O-N 3.07Å; C281-Y352 VanDerWaalsContact SG-C 3.58Å; C281-Y352 WeakPolarHBondContact SG-CB 2.74Å; C281-R353 PolarHBondContact SG-N 2.75Å |
| 282 | E | 88.4 | Confident | 76.3 | Confident | 43 Ų | 43 | 61 Ų | 61 | 20% | 0.201 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 179.3 | -75.6 | 172 | -163.3 | 0 | 0 | 111 | R244 R278 Y279 L280 K285 R286 | R244-E282 IonicContact CZ-OE2 2.75Å; R244-E282 IonicContact NE-OE2 3.28Å; R244-E282 PolarHBondContact NE-OE2 3.16Å; R244-E282 VanDerWaalsContact NH2-CD 3.28Å; R244-E282 IonicContact NH2-OE1 3.81Å; R244-E282 PolarHBondContact NH2-OE1 3.14Å; R244-E282 IonicContact NH2-OE2 3.35Å; R244-E282 PolarHBondContact NH2-OE2 3.13Å; R278-E282 IonicContact CZ-OE1 3.94Å; R278-E282 IonicContact NH1-OE1 3.16Å; R278-E282 PolarHBondContact NH1-OE1 3.18Å; R278-E282 IonicContact NH1-OE2 3.18Å; R278-E282 PolarHBondContact NH1-OE2 3.37Å; R278-E282 WeakPolarHBondContact O-CG 3.3Å; R278-E282 PolarHBondContact O-N 2.87Å; Y279-E282 PolarHBondContact O-N 2.93Å; L280-E282 PolarHBondContact O-N 2.9Å; E282-K285 PolarHBondContact O-N 3.17Å; E282-R286 WeakPolarHBondContact O-CG 3.45Å; E282-R286 PolarHBondContact O-N 3.43Å |
| 283 | W | 88.9 | Confident | 73.6 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 7% | 0.068 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -53.1 | -58.5 | 173.9 | -178.8 | -93.5 | 0 | 0 | 0 | 111.4 | I247 Q251 C256 A259 H260 L263 Y279 L280 C281 K285 R286 Q287 | I247-W283 HydrophobicContact CG2-CE3 4.14Å; I247-W283 HydrophobicContact CG2-CZ3 4.05Å; Q251-W283 HydrophobicContact CG-CH2 4.21Å; Q251-W283 HydrophobicContact CG-CZ3 3.77Å; C256-W283 HydrophobicContact CB-CH2 4.1Å; C256-W283 HydrophobicContact CB-CZ2 4.41Å; C256-W283 WeakPolarHBondContact O-CH2 3.46Å; C256-W283 WeakPolarHBondContact O-CZ2 3.23Å; A259-W283 HydrophobicContact CB-CH2 3.72Å; A259-W283 HydrophobicContact CB-CZ3 3.6Å; H260-W283 HydrophobicContact CB-CH2 4.28Å; H260-W283 HydrophobicContact CB-CZ2 3.64Å; H260-W283 AromaticContact CD2-CD1 3.59Å; H260-W283 AromaticContact CD2-CE2 3.87Å; H260-W283 AromaticContact CD2-NE1 3.32Å; H260-W283 PolarHBondContact CD2-NE1 3.46Å; H260-W283 VanDerWaalsContact CD2-NE1 3.32Å; H260-W283 AromaticContact CG-NE1 3.73Å; L263-W283 HydrophobicContact CD1-CB 3.92Å; L263-W283 HydrophobicContact CD1-CD2 4.14Å; L263-W283 HydrophobicContact CD1-CE3 3.86Å; L263-W283 HydrophobicContact CD1-CG 4.18Å; Y279-W283 WeakPolarHBondContact O-CB 3.32Å; Y279-W283 PolarHBondContact O-N 3.23Å; L280-W283 WeakPolarHBondContact O-CB 3.29Å; L280-W283 PolarHBondContact O-N 2.95Å; C281-W283 VanDerWaalsContact C-N 3.34Å; W283-K285 PolarHBondContact O-N 2.92Å; W283-R286 PolarHBondContact O-N 3.16Å; W283-R286 VanDerWaalsContact O-N 3.13Å; W283-Q287 VanDerWaalsContact CZ2-NE2 3.3Å; W283-Q287 WeakPolarHBondContact O-CG 3.38Å; W283-Q287 PolarHBondContact O-N 3.32Å |
| 284 | Y | 86.8 | Confident | 70.6 | Confident | 31 Ų | 31 | 63.6 Ų | 63.6 | 12% | 0.122 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.8 | -23.9 | -177.7 | -76.6 | -75.4 | 0 | 0 | 0 | 114 | H260 L280 C281 N345 I348 Y352 | H260-Y284 AromaticContact NE2-CZ 3.88Å; H260-Y284 PolarHBondContact NE2-OH 3.43Å; L280-Y284 WeakPolarHBondContact O-CD2 3.49Å; L280-Y284 PolarHBondContact O-N 3.5Å; L280-Y284 VanDerWaalsContact O-N 3.11Å; C281-Y284 PolarHBondContact O-N 3.35Å; Y284-N345 HydrophobicContact CD1-CB 4.18Å; Y284-I348 HydrophobicContact CD1-CG2 4.33Å; Y284-I348 HydrophobicContact CD2-CG2 3.84Å; Y284-I348 HydrophobicContact CE1-CD1 4.12Å; Y284-I348 HydrophobicContact CE1-CG2 4.08Å; Y284-I348 HydrophobicContact CE2-CG2 3.63Å; Y284-I348 HydrophobicContact CG-CG2 4.22Å; Y284-Y352 HydrophobicContact CD2-CD2 4.16Å; Y284-Y352 AromaticContact CD2-CE2 3.83Å; Y284-Y352 HydrophobicContact CD2-CE2 3.83Å; Y284-Y352 HydrophobicContact CE2-CD2 4.35Å; Y284-Y352 AromaticContact CE2-CE2 3.55Å; Y284-Y352 HydrophobicContact CE2-CE2 3.55Å |
| 285 | K | 84.5 | Confident | 67.6 | Low | 116 Ų | 116 | 66.9 Ų | 66.9 | 50% | 0.504 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -73.3 | -39.3 | 173 | -76.4 | 176.8 | 179.9 | 179 | 0 | 112.4 | C281 E282 W283 H288 | C281-K285 WeakPolarHBondContact O-CG 3.3Å; C281-K285 PolarHBondContact O-N 3.14Å; C281-K285 VanDerWaalsContact O-N 3.07Å; E282-K285 PolarHBondContact O-N 3.17Å; W283-K285 PolarHBondContact O-N 2.92Å; K285-H288 PolarHBondContact O-CD2 3.28Å |
| 286 | R | 79.9 | Confident | 64.5 | Low | 102 Ų | 102 | 68.9 Ų | 68.9 | 39% | 0.385 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.9 | -29.9 | -177.5 | -72.3 | 176.6 | -179.2 | -179.5 | -2.4 | 113 | E248 E282 W283 H288 V289 | E248-R286 IonicContact OE1-CZ 3.69Å; E248-R286 VanDerWaalsContact OE1-CZ 3.27Å; E248-R286 IonicContact OE1-NH1 3.57Å; E248-R286 PolarHBondContact OE1-NH1 2.89Å; E248-R286 IonicContact OE1-NH2 2.82Å; E248-R286 PolarHBondContact OE1-NH2 3.35Å; E282-R286 WeakPolarHBondContact O-CG 3.45Å; E282-R286 PolarHBondContact O-N 3.43Å; W283-R286 PolarHBondContact O-N 3.16Å; W283-R286 VanDerWaalsContact O-N 3.13Å; R286-H288 PolarHBondContact O-N 2.99Å; R286-V289 PolarHBondContact O-N 2.98Å; R286-V289 VanDerWaalsContact O-N 3.08Å |
| 287 | Q | 74.7 | Confident | 61.4 | Low | 78 Ų | 78 | 74.7 Ų | 74.7 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 6.2 | 178.5 | -63.3 | -62.1 | -26.9 | 0 | 0 | 114.9 | W283 | W283-Q287 VanDerWaalsContact CZ2-NE2 3.3Å; W283-Q287 WeakPolarHBondContact O-CG 3.38Å; W283-Q287 PolarHBondContact O-N 3.32Å |
| 288 | H | 54.3 | Low | 58.4 | Low | 102 Ų | 102 | 81.8 Ų | 81.8 | 47% | 0.472 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -14.4 | 169.8 | -79.4 | -77.4 | 0 | 0 | 0 | 113.8 | K285 R286 P290 | K285-H288 PolarHBondContact O-CD2 3.28Å; R286-H288 PolarHBondContact O-N 2.99Å; H288-P290 WeakPolarHBondContact O-CD 3.45Å |
| 289 | V | 41 | Very low | 55.3 | Low | 103 Ų | 103 | 84.9 Ų | 84.9 | 62% | 0.624 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -94 | 116 | 177.3 | -173.1 | 0 | 0 | 0 | 0 | 107.8 | R286 V291 | R286-V289 PolarHBondContact O-N 2.98Å; R286-V289 VanDerWaalsContact O-N 3.08Å; V289-V291 PolarHBondContact O-N 3.28Å |
| 290 | P | 32.1 | Very low | 52.4 | Low | 106 Ų | 106 | 89.7 Ų | 89.7 | 69% | 0.688 | 52% | 0.516 | S | S | * | . | trans | -61.8 | 110.2 | 161.8 | 25.5 | -27 | 0 | 0 | 0 | 105.7 | H288 T292 | H288-P290 WeakPolarHBondContact O-CD 3.45Å; P290-T292 VanDerWaalsContact C-N 3.32Å; P290-T292 PolarHBondContact O-N 3.38Å | ||
| 291 | V | 35.3 | Very low | 49.4 | Very low | 103 Ų | 103 | 94.2 Ų | 94.2 | 62% | 0.624 | 55% | 0.548 | S | S | * | . | trans | -54.4 | 107.9 | 164.4 | 176.9 | 0 | 0 | 0 | 0 | 104.8 | V289 H293 | V289-V291 PolarHBondContact O-N 3.28Å; V291-H293 PolarHBondContact O-CD2 2.94Å; V291-H293 PolarHBondContact O-N 3.31Å | ||
| 292 | T | 30.7 | Very low | 46.5 | Very low | 135 Ų | 135 | 102.6 Ų | 102.6 | 83% | 0.828 | 59% | 0.586 | S | S | * | * | trans | -64.3 | 85.1 | 170.1 | 20.5 | 0 | 0 | 0 | 0 | 106.6 | P290 | P290-T292 VanDerWaalsContact C-N 3.32Å; P290-T292 PolarHBondContact O-N 3.38Å | ||
| 293 | H | 33 | Very low | 43.6 | Very low | 107 Ų | 107 | 105.7 Ų | 105.7 | 50% | 0.495 | 61% | 0.61 | S | S | . | * | trans | -65.2 | 128.7 | 160.1 | -71 | -77.8 | 0 | 0 | 0 | 107.7 | V291 | V291-H293 PolarHBondContact O-CD2 2.94Å; V291-H293 PolarHBondContact O-N 3.31Å | ||
| 294 | P | 27.6 | Very low | 40.8 | Very low | 116 Ų | 116 | 112.5 Ų | 112.5 | 75% | 0.753 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -71.8 | 124.1 | 139.2 | 15.1 | 1.6 | 0 | 0 | 0 | 106.6 | ||
| 295 | S | 27.3 | Very low | 38.1 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 76% | 0.755 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 80.4 | 104 | 162 | -54.7 | 0 | 0 | 0 | 0 | 117.9 | ||
| 296 | A | 27.4 | Very low | 35.5 | Very low | 86 Ų | 86 | 119 Ų | 119 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | 99.7 | 106.5 | 123.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 297 | V | 26.5 | Very low | 33.1 | Very low | 125 Ų | 125 | 121 Ų | 121 | 76% | 0.758 | 70% | 0.702 | S | S | * | * | 85.8 | 101.6 | 119.6 | 175.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 298 | L | 27.5 | Very low | 30.9 | Very low | 164 Ų | 164 | 122.1 Ų | 122.1 | 86% | 0.859 | 72% | 0.717 | S | S | * | * | trans | 105.3 | 113.3 | 143.3 | -62.3 | 163.5 | 0 | 0 | 0 | 119.2 | ||||
| 299 | S | 24.7 | Very low | 29.8 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -98.8 | -165 | 172.2 | -55.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 300 | P | 31 | Very low | 29.1 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 75% | 0.747 | 73% | 0.733 | S | S | * | * | -136 | 156.7 | -98.6 | 38.1 | -18.2 | 0 | 0 | 0 | 114.8 | |||||
| 301 | S | 28.1 | Very low | 29 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | trans | -171 | 111.7 | 160.5 | 48.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 302 | H | 27.6 | Very low | 28.6 | Very low | 184 Ų | 184 | 127 Ų | 127 | 85% | 0.852 | 75% | 0.746 | S | S | * | * | 173.9 | 143.3 | 100.2 | -97 | -52.3 | 0 | 0 | 0 | 113.5 | |||||
| 303 | P | 27.1 | Very low | 28.4 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -109.2 | 162.8 | -172.9 | 40 | -29.8 | 0 | 0 | 0 | 113.8 | ||||
| 304 | I | 29.3 | Very low | 28.1 | Very low | 160 Ų | 160 | 124.8 Ų | 124.8 | 82% | 0.821 | 75% | 0.753 | S | S | * | * | trans | -123.1 | 104.8 | 162.9 | -65.3 | 179.9 | 0 | 0 | 0 | 108.1 | ||||
| 305 | T | 31.5 | Very low | 28.1 | Very low | 107 Ų | 107 | 124 Ų | 124 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | trans | 21.1 | 149.5 | 133.2 | 54.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 306 | K | 29.7 | Very low | 28.4 | Very low | 178 Ų | 178 | 126.1 Ų | 126.1 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | cis | -171.5 | 157.5 | 3.9 | -112.7 | 171.5 | -178.7 | 179.4 | 0 | 106.9 | ||||
| 307 | N | 28.4 | Very low | 28.7 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | 75.6 | 136.5 | 151.7 | -65.3 | 6.7 | 0 | 0 | 0 | 118.1 | ||||
| 308 | C | 29 | Very low | 29.1 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 69% | 0.689 | 75% | 0.746 | S | S | * | * | cis | -153.9 | 144.2 | 9.8 | -94.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 309 | H | 30.1 | Very low | 29.4 | Very low | 159 Ų | 159 | 125.2 Ų | 125.2 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | trans | 37.3 | 125.2 | 138.1 | -68.4 | -75.1 | 0 | 0 | 0 | 123.8 | ||||
| 310 | D | 26.3 | Very low | 29.8 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | 39.1 | 126 | 125.2 | -52.5 | -37.2 | 0 | 0 | 0 | 118.2 | |||||
| 311 | S | 29.9 | Very low | 29.7 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | -176.1 | 145.9 | 65.6 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 312 | S | 28.5 | Very low | 29.9 | Very low | 115 Ų | 115 | 126 Ų | 126 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | 59.3 | 135.6 | 138.3 | -162.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 313 | A | 25.4 | Very low | 29.8 | Very low | 89 Ų | 89 | 123.6 Ų | 123.6 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | trans | -59.2 | 150.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 314 | C | 27.1 | Very low | 30.1 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | trans | -154.8 | 125.1 | 143 | -95.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 315 | S | 27.3 | Very low | 30.2 | Very low | 100 Ų | 100 | 122.6 Ų | 122.6 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | trans | -63.5 | 133.5 | 170.6 | 60.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 316 | L | 33.6 | Very low | 30.1 | Very low | 151 Ų | 151 | 124.8 Ų | 124.8 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | -111.5 | 89.8 | 165.1 | -103.4 | 151.4 | 0 | 0 | 0 | 105.4 | L318 | L316-L318 PolarHBondContact O-N 3.17Å; L316-L318 VanDerWaalsContact O-N 3.12Å | ||
| 317 | D | 33.7 | Very low | 30 | Very low | 140 Ų | 140 | 124.4 Ų | 124.4 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | trans | -59.8 | 113.2 | 173.9 | -80.7 | -38.3 | 0 | 0 | 0 | 109.4 | S319 | D317-S319 PolarHBondContact O-N 3.48Š| ||
| 318 | L | 34.3 | Very low | 29.9 | Very low | 113 Ų | 113 | 123.9 Ų | 123.9 | 59% | 0.592 | 75% | 0.746 | S | S | * | * | trans | -87.2 | 63.7 | 172.7 | -71.7 | 166 | 0 | 0 | 0 | 108.3 | L316 | L316-L318 PolarHBondContact O-N 3.17Å; L316-L318 VanDerWaalsContact O-N 3.12Å | ||
| 319 | S | 34 | Very low | 30.1 | Very low | 104 Ų | 104 | 125 Ų | 125 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -110.9 | 123.3 | 170.2 | -168 | 0 | 0 | 0 | 0 | 110.1 | D317 G321 | D317-S319 PolarHBondContact O-N 3.48Å; S319-G321 PolarHBondContact O-N 3.33Å | ||
| 320 | D | 34.7 | Very low | 30.1 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 56% | 0.561 | 75% | 0.753 | S | S | * | * | trans | -73.5 | 113.2 | 171.5 | -70.6 | -43.2 | 0 | 0 | 0 | 106.5 | N322 K381 R427 | D320-N322 PolarHBondContact O-N 3.38Å; D320-K381 IonicContact OD2-NZ 3.86Å; D320-R427 IonicContact OD1-NH1 3.42Å; D320-R427 PolarHBondContact OD1-NH1 3.05Å; D320-R427 IonicContact OD2-NH1 3.59Å | ||
| 321 | G | 28.7 | Very low | 30 | Very low | 72 Ų | 72 | 123.4 Ų | 123.4 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | -64.1 | 118.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S319 | S319-G321 PolarHBondContact O-N 3.33Š| ||
| 322 | N | 31.2 | Very low | 29.9 | Very low | 167 Ų | 167 | 126.2 Ų | 126.2 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | trans | -140.2 | 117.4 | 143.9 | -97.9 | -1.1 | 0 | 0 | 0 | 106.7 | D320 | D320-N322 PolarHBondContact O-N 3.38Š| ||
| 323 | T | 27 | Very low | 30.1 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | trans | -68.7 | 130.3 | -179.8 | -37.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 324 | T | 31.6 | Very low | 30.3 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | -179.1 | 110.8 | 127.9 | 36.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 325 | V | 32.1 | Very low | 30.4 | Very low | 120 Ų | 120 | 132 Ų | 132 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 42.7 | 106.6 | 133.8 | -161 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 326 | D | 30.5 | Very low | 30.7 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | 176.3 | 151 | 103.1 | -107.5 | -29.5 | 0 | 0 | 0 | 112.8 | |||||
| 327 | E | 26.7 | Very low | 30.8 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -76.9 | 173.5 | -165.1 | -68.6 | 179.9 | 137.5 | 0 | 0 | 116 | ||||
| 328 | T | 27.1 | Very low | 31 | Very low | 130 Ų | 130 | 141 Ų | 141 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | trans | 77.1 | 109.5 | 157.9 | 28.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 329 | T | 31.5 | Very low | 31.6 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | 172.7 | 112.2 | 104.1 | -58 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 330 | Q | 30.3 | Very low | 32.6 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | 24.3 | 115.5 | 140.7 | -64.4 | 173.5 | -4.4 | 0 | 0 | 122 | ||||
| 331 | S | 25.5 | Very low | 33.8 | Very low | 87 Ų | 87 | 142.2 Ų | 142.2 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | 79.1 | 142.2 | 115.8 | 77.3 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 332 | H | 27.9 | Very low | 35.3 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | trans | 81.6 | 106 | 157.6 | -55.6 | -63 | 0 | 0 | 0 | 119.4 | ||||
| 333 | T | 31.5 | Very low | 37.3 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 89% | 0.89 | 74% | 0.738 | S | S | * | * | -178.6 | 117.2 | 115.7 | 27.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 334 | A | 29.6 | Very low | 39.8 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 78% | 0.777 | 73% | 0.729 | S | S | * | * | trans | 43.2 | 107.6 | 143.6 | 0 | 0 | 0 | 0 | 0 | 122 | Q336 | A334-Q336 PolarHBondContact O-N 3.42Š| ||
| 335 | H | 30.5 | Very low | 42.1 | Very low | 195 Ų | 195 | 131.8 Ų | 131.8 | 90% | 0.903 | 70% | 0.7 | S | S | * | * | trans | -67.9 | 104 | 157.4 | -75.7 | -70.5 | 0 | 0 | 0 | 112.2 | K337 | H335-K337 PolarHBondContact O-N 3.14Š| ||
| 336 | Q | 33.6 | Very low | 44.5 | Very low | 186 Ų | 186 | 128.1 Ų | 128.1 | 87% | 0.869 | 68% | 0.68 | S | S | * | * | trans | -77.9 | 107.3 | 158.7 | -81.2 | -175.9 | -6.5 | 0 | 0 | 109.9 | A334 K338 | A334-Q336 PolarHBondContact O-N 3.42Å; Q336-K338 PolarHBondContact O-N 2.87Å; Q336-K338 VanDerWaalsContact O-N 3.09Å | ||
| 337 | K | 35 | Very low | 47.2 | Very low | 210 Ų | 210 | 127.4 Ų | 127.4 | 91% | 0.913 | 67% | 0.67 | S | S | * | * | trans | -61.6 | 107.6 | 169.3 | -86.4 | 179.7 | 175.5 | 175.2 | 0 | 109.6 | H335 S339 | H335-K337 PolarHBondContact O-N 3.14Å; K337-S339 PolarHBondContact O-N 3.45Å | ||
| 338 | K | 38.7 | Very low | 50 | Low | 185 Ų | 185 | 121.2 Ų | 121.2 | 80% | 0.804 | 64% | 0.642 | S | S | * | * | trans | -60.8 | 125.5 | 172.8 | -74.5 | 179.8 | -179.6 | 176 | 0 | 110.2 | Q336 | Q336-K338 PolarHBondContact O-N 2.87Å; Q336-K338 VanDerWaalsContact O-N 3.09Å | ||
| 339 | S | 45.3 | Very low | 52.9 | Low | 68 Ų | 68 | 115.6 Ų | 115.6 | 48% | 0.476 | 61% | 0.607 | S | S | . | * | trans | -61.2 | 148.7 | 177.8 | 73.9 | 0 | 0 | 0 | 0 | 112.1 | K337 K341 S342 S343 | K337-S339 PolarHBondContact O-N 3.45Å; S339-K341 PolarHBondContact O-N 2.98Å; S339-S342 VanDerWaalsContact O-CB 3.31Å; S339-S342 WeakPolarHBondContact O-CB 3.49Å; S339-S342 PolarHBondContact O-N 3.11Å; S339-S342 PolarHBondContact O-OG 3.46Å; S339-S342 VanDerWaalsContact O-OG 3.13Å; S339-S343 PolarHBondContact O-N 2.8Å | ||
| 340 | P | 56.4 | Low | 55.8 | Low | 114 Ų | 114 | 109.8 Ų | 109.8 | 74% | 0.74 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.1 | -31 | -176.5 | 18.1 | -29.9 | 0 | 0 | 0 | 113.8 | S342 S343 K344 | P340-S342 VanDerWaalsContact C-N 3.31Å; P340-S342 PolarHBondContact O-N 3.36Å; P340-S343 PolarHBondContact O-N 3.46Å; P340-K344 PolarHBondContact O-N 3.32Å |
| 341 | K | 58 | Low | 58.7 | Low | 164 Ų | 164 | 105 Ų | 105 | 71% | 0.713 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.7 | -38.4 | 173.9 | -70.1 | -176.3 | 179.6 | 178.6 | 0 | 112.1 | S339 S343 K344 N345 | S339-K341 PolarHBondContact O-N 2.98Å; K341-S343 VanDerWaalsContact C-N 3.33Å; K341-S343 PolarHBondContact O-N 3.09Å; K341-K344 PolarHBondContact O-N 2.93Å; K341-N345 PolarHBondContact O-N 3.31Å; K341-N345 VanDerWaalsContact O-N 3.08Å |
| 342 | S | 62.2 | Low | 61.8 | Low | 20 Ų | 20 | 103.3 Ų | 103.3 | 14% | 0.14 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 179.9 | 104.3 | 0 | 0 | 0 | 0 | 111.4 | S339 P340 S346 | S339-S342 VanDerWaalsContact O-CB 3.31Å; S339-S342 WeakPolarHBondContact O-CB 3.49Å; S339-S342 PolarHBondContact O-N 3.11Å; S339-S342 PolarHBondContact O-OG 3.46Å; S339-S342 VanDerWaalsContact O-OG 3.13Å; P340-S342 VanDerWaalsContact C-N 3.31Å; P340-S342 PolarHBondContact O-N 3.36Å; S342-S346 WeakPolarHBondContact O-CB 3.45Å; S342-S346 PolarHBondContact O-N 2.66Å |
| 343 | S | 73.1 | Confident | 64.8 | Low | 82 Ų | 82 | 97.3 Ų | 97.3 | 57% | 0.573 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.5 | -45.2 | 175.9 | -173.6 | 0 | 0 | 0 | 0 | 112 | S339 P340 K341 S346 K347 | S339-S343 PolarHBondContact O-N 2.8Å; P340-S343 PolarHBondContact O-N 3.46Å; K341-S343 VanDerWaalsContact C-N 3.33Å; K341-S343 PolarHBondContact O-N 3.09Å; S343-S346 PolarHBondContact O-N 3.11Å; S343-K347 PolarHBondContact O-N 2.9Å |
| 344 | K | 78.1 | Confident | 67.7 | Low | 145 Ų | 145 | 90.4 Ų | 90.4 | 63% | 0.63 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.5 | -49.9 | 178.6 | -171.5 | 177.6 | 179.7 | 179.7 | 0 | 111.8 | P340 K341 S346 K347 I348 | P340-K344 PolarHBondContact O-N 3.32Å; K341-K344 PolarHBondContact O-N 2.93Å; K344-S346 VanDerWaalsContact C-N 3.26Å; K344-S346 PolarHBondContact O-N 3.3Å; K344-K347 PolarHBondContact O-N 3.26Å; K344-K347 VanDerWaalsContact O-N 3.17Å; K344-I348 HydrophobicContact CG-CD1 4.07Å; K344-I348 WeakPolarHBondContact O-CG1 3.35Å; K344-I348 PolarHBondContact O-N 2.88Å |
| 345 | N | 79.7 | Confident | 70.7 | Confident | 34 Ų | 34 | 88.1 Ų | 88.1 | 18% | 0.182 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61 | -38.8 | 177.4 | -72.9 | -2.6 | 0 | 0 | 0 | 111.4 | Y284 K341 K347 I348 C349 | Y284-N345 HydrophobicContact CD1-CB 4.18Å; K341-N345 PolarHBondContact O-N 3.31Å; K341-N345 VanDerWaalsContact O-N 3.08Å; N345-K347 PolarHBondContact O-N 2.89Å; N345-I348 PolarHBondContact O-N 3.03Å; N345-C349 WeakPolarHBondContact O-CB 3.48Å; N345-C349 PolarHBondContact O-N 3.05Å |
| 346 | S | 82.7 | Confident | 73.6 | Confident | 43 Ų | 43 | 81 Ų | 81 | 30% | 0.301 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.6 | -34.3 | 178.2 | -154.3 | 0 | 0 | 0 | 0 | 112.8 | S342 S343 K344 L350 R400 | S342-S346 WeakPolarHBondContact O-CB 3.45Å; S342-S346 PolarHBondContact O-N 2.66Å; S343-S346 PolarHBondContact O-N 3.11Å; K344-S346 VanDerWaalsContact C-N 3.26Å; K344-S346 PolarHBondContact O-N 3.3Å; S346-L350 PolarHBondContact O-N 2.97Å; S346-R400 VanDerWaalsContact C-NH1 3.33Å; S346-R400 PolarHBondContact O-NH1 3.43Å; S346-R400 PolarHBondContact OG-NH2 2.85Å |
| 347 | K | 87.2 | Confident | 76.5 | Confident | 137 Ų | 137 | 72.2 Ų | 72.2 | 60% | 0.596 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.7 | -50.9 | 172.9 | -172.2 | 178.8 | 178.6 | -178.8 | 0 | 110.9 | S343 K344 N345 C349 L350 E351 | S343-K347 PolarHBondContact O-N 2.9Å; K344-K347 PolarHBondContact O-N 3.26Å; K344-K347 VanDerWaalsContact O-N 3.17Å; N345-K347 PolarHBondContact O-N 2.89Å; K347-C349 PolarHBondContact O-N 2.95Å; K347-L350 WeakPolarHBondContact O-CB 3.45Å; K347-L350 PolarHBondContact O-N 2.68Å; K347-L350 VanDerWaalsContact O-N 3.12Å; K347-E351 PolarHBondContact O-N 2.84Å; K347-E351 VanDerWaalsContact O-N 3.15Å |
| 348 | I | 86.8 | Confident | 79.3 | Confident | 41 Ų | 41 | 67 Ų | 67 | 21% | 0.21 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 179.2 | -66 | 168.6 | 0 | 0 | 0 | 111.2 | Y284 K344 N345 L350 E351 Y352 | Y284-I348 HydrophobicContact CD1-CG2 4.33Å; Y284-I348 HydrophobicContact CD2-CG2 3.84Å; Y284-I348 HydrophobicContact CE1-CD1 4.12Å; Y284-I348 HydrophobicContact CE1-CG2 4.08Å; Y284-I348 HydrophobicContact CE2-CG2 3.63Å; Y284-I348 HydrophobicContact CG-CG2 4.22Å; K344-I348 HydrophobicContact CG-CD1 4.07Å; K344-I348 WeakPolarHBondContact O-CG1 3.35Å; K344-I348 PolarHBondContact O-N 2.88Å; N345-I348 PolarHBondContact O-N 3.03Å; I348-L350 VanDerWaalsContact C-N 3.26Å; I348-L350 PolarHBondContact O-N 3.19Å; I348-E351 WeakPolarHBondContact O-CB 3.43Å; I348-E351 PolarHBondContact O-N 2.92Å; I348-E351 VanDerWaalsContact O-N 3.13Å; I348-Y352 HydrophobicContact CG2-CD2 3.77Å; I348-Y352 HydrophobicContact CG2-CE2 3.29Å; I348-Y352 WeakPolarHBondContact O-CD2 3.42Å; I348-Y352 PolarHBondContact O-N 3.4Å; I348-Y352 VanDerWaalsContact O-N 3.14Å |
| 349 | C | 87.6 | Confident | 81.7 | Confident | 12 Ų | 12 | 63.3 Ų | 63.3 | 8% | 0.081 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.3 | -38.8 | 176.6 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | N345 K347 R353 | N345-C349 WeakPolarHBondContact O-CB 3.48Å; N345-C349 PolarHBondContact O-N 3.05Å; K347-C349 PolarHBondContact O-N 2.95Å; C349-R353 WeakPolarHBondContact O-CB 3.19Å; C349-R353 VanDerWaalsContact O-CG 3.23Å; C349-R353 WeakPolarHBondContact O-CG 3.5Å; C349-R353 PolarHBondContact O-N 2.72Å |
| 350 | L | 91.1 | Very high | 83.8 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 176.7 | -178 | 61.6 | 0 | 0 | 0 | 112.1 | S346 K347 I348 R353 I354 T393 R400 | S346-L350 PolarHBondContact O-N 2.97Å; K347-L350 WeakPolarHBondContact O-CB 3.45Å; K347-L350 PolarHBondContact O-N 2.68Å; K347-L350 VanDerWaalsContact O-N 3.12Å; I348-L350 VanDerWaalsContact C-N 3.26Å; I348-L350 PolarHBondContact O-N 3.19Å; L350-R353 PolarHBondContact O-N 2.64Å; L350-I354 HydrophobicContact CD1-CD1 4.08Å; L350-I354 HydrophobicContact CD1-CG1 4.19Å; L350-I354 HydrophobicContact CD2-CD1 4.47Å; L350-I354 HydrophobicContact CG-CD1 3.82Å; L350-I354 HydrophobicContact CG-CG1 4.4Å; L350-I354 VanDerWaalsContact O-CG1 3.31Å; L350-I354 WeakPolarHBondContact O-CG1 3.42Å; L350-I354 PolarHBondContact O-N 3.03Å; L350-T393 HydrophobicContact CD1-CG2 4.3Å; L350-R400 HydrophobicContact CD2-CB 4.48Å; L350-R400 HydrophobicContact CD2-CG 4.43Å |
| 351 | E | 92.1 | Very high | 85.5 | Confident | 71 Ų | 71 | 56.9 Ų | 56.9 | 33% | 0.332 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.9 | -51.6 | 175 | -62.6 | -57.8 | 156.4 | 0 | 0 | 111.1 | K347 I348 R353 I354 S355 R402 | K347-E351 PolarHBondContact O-N 2.84Å; K347-E351 VanDerWaalsContact O-N 3.15Å; I348-E351 WeakPolarHBondContact O-CB 3.43Å; I348-E351 PolarHBondContact O-N 2.92Å; I348-E351 VanDerWaalsContact O-N 3.13Å; E351-R353 VanDerWaalsContact C-N 3.29Å; E351-R353 PolarHBondContact O-N 3.28Å; E351-I354 PolarHBondContact O-N 2.9Å; E351-I354 VanDerWaalsContact O-N 3.15Å; E351-S355 PolarHBondContact O-N 3.47Å; E351-S355 PolarHBondContact O-OG 3.13Å; E351-R402 IonicContact OE1-CZ 2.9Å; E351-R402 IonicContact OE1-NH1 2.88Å; E351-R402 PolarHBondContact OE1-NH1 3.04Å; E351-R402 IonicContact OE1-NH2 3.88Å; E351-R402 IonicContact OE2-CZ 3.19Å; E351-R402 VanDerWaalsContact OE2-CZ 3.22Å; E351-R402 IonicContact OE2-NH1 3.11Å; E351-R402 PolarHBondContact OE2-NH1 2.89Å; E351-R402 IonicContact OE2-NH2 2.68Å; E351-R402 PolarHBondContact OE2-NH2 3.46Å |
| 352 | Y | 90.4 | Very high | 87.1 | Confident | 50 Ų | 50 | 52.6 Ų | 52.6 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -36.4 | 179.2 | -67.4 | -52.1 | 0 | 0 | 0 | 112.7 | L277 L280 C281 Y284 I348 S355 F356 | L277-Y352 HydrophobicContact CD2-CD1 3.86Å; L277-Y352 HydrophobicContact CD2-CE1 4.43Å; L280-Y352 HydrophobicContact CB-CD1 4.47Å; L280-Y352 HydrophobicContact CB-CD2 4.01Å; L280-Y352 HydrophobicContact CB-CE1 4.43Å; L280-Y352 HydrophobicContact CB-CE2 3.95Å; L280-Y352 HydrophobicContact CB-CG 4.27Å; L280-Y352 HydrophobicContact CD1-CD1 4.37Å; L280-Y352 HydrophobicContact CD1-CE1 3.8Å; C281-Y352 VanDerWaalsContact SG-C 3.58Å; C281-Y352 WeakPolarHBondContact SG-CB 2.74Å; Y284-Y352 HydrophobicContact CD2-CD2 4.16Å; Y284-Y352 AromaticContact CD2-CE2 3.83Å; Y284-Y352 HydrophobicContact CD2-CE2 3.83Å; Y284-Y352 HydrophobicContact CE2-CD2 4.35Å; Y284-Y352 AromaticContact CE2-CE2 3.55Å; Y284-Y352 HydrophobicContact CE2-CE2 3.55Å; I348-Y352 HydrophobicContact CG2-CD2 3.77Å; I348-Y352 HydrophobicContact CG2-CE2 3.29Å; I348-Y352 WeakPolarHBondContact O-CD2 3.42Å; I348-Y352 PolarHBondContact O-N 3.4Å; I348-Y352 VanDerWaalsContact O-N 3.14Å; Y352-S355 PolarHBondContact O-N 3.07Å; Y352-F356 WeakPolarHBondContact O-CB 3.37Å; Y352-F356 PolarHBondContact O-N 3.3Å |
| 353 | R | 91.8 | Very high | 88.3 | Confident | 43 Ų | 43 | 54.4 Ų | 54.4 | 16% | 0.162 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 175.6 | -74.2 | 176.2 | 67.6 | -165.5 | 3.5 | 112.7 | C281 C349 L350 E351 S357 G389 T393 | C281-R353 PolarHBondContact SG-N 2.75Å; C349-R353 WeakPolarHBondContact O-CB 3.19Å; C349-R353 VanDerWaalsContact O-CG 3.23Å; C349-R353 WeakPolarHBondContact O-CG 3.5Å; C349-R353 PolarHBondContact O-N 2.72Å; L350-R353 PolarHBondContact O-N 2.64Å; E351-R353 VanDerWaalsContact C-N 3.29Å; E351-R353 PolarHBondContact O-N 3.28Å; R353-S357 WeakPolarHBondContact O-CB 3.4Å; R353-S357 PolarHBondContact O-N 3.27Å; R353-S357 PolarHBondContact O-OG 3.02Å; R353-G389 PolarHBondContact NH2-O 2.82Å; R353-T393 HydrophobicContact CB-CG2 3.98Å; R353-T393 VanDerWaalsContact CZ-OG1 3.27Å; R353-T393 PolarHBondContact NE-OG1 3.01Å; R353-T393 VanDerWaalsContact NE-OG1 3.14Å; R353-T393 VanDerWaalsContact NH2-CA 3.29Å; R353-T393 PolarHBondContact NH2-OG1 3.48Å |
| 354 | I | 92.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.5 | -49.3 | 176.4 | -69.6 | 163.3 | 0 | 0 | 0 | 109.2 | L350 E351 F356 S357 R358 T393 C397 D405 L409 | L350-I354 HydrophobicContact CD1-CD1 4.08Å; L350-I354 HydrophobicContact CD1-CG1 4.19Å; L350-I354 HydrophobicContact CD2-CD1 4.47Å; L350-I354 HydrophobicContact CG-CD1 3.82Å; L350-I354 HydrophobicContact CG-CG1 4.4Å; L350-I354 VanDerWaalsContact O-CG1 3.31Å; L350-I354 WeakPolarHBondContact O-CG1 3.42Å; L350-I354 PolarHBondContact O-N 3.03Å; E351-I354 PolarHBondContact O-N 2.9Å; E351-I354 VanDerWaalsContact O-N 3.15Å; I354-F356 VanDerWaalsContact C-N 3.3Å; I354-F356 PolarHBondContact O-N 3.22Å; I354-S357 PolarHBondContact O-N 3.23Å; I354-S357 VanDerWaalsContact O-N 3.15Å; I354-R358 VanDerWaalsContact CG2-NH1 3.33Å; I354-R358 WeakPolarHBondContact O-CG 3.44Å; I354-R358 PolarHBondContact O-N 3.49Å; I354-T393 HydrophobicContact CG1-CG2 3.89Å; I354-C397 WeakPolarHBondContact CD1-SG 3.38Å; I354-C397 VanDerWaalsContact CG1-SG 3.6Å; I354-D405 HydrophobicContact CD1-CB 4.1Å; I354-D405 HydrophobicContact CG2-CB 4.25Å; I354-L409 HydrophobicContact CG1-CD1 4.2Å; I354-L409 HydrophobicContact CG2-CD1 4.38Å |
| 355 | S | 92 | Very high | 89.5 | Confident | 46 Ų | 46 | 48.1 Ų | 48.1 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.6 | -40.6 | 177.2 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | E351 Y352 R358 R359 | E351-S355 PolarHBondContact O-N 3.47Å; E351-S355 PolarHBondContact O-OG 3.13Å; Y352-S355 PolarHBondContact O-N 3.07Å; S355-R358 PolarHBondContact O-N 2.9Å; S355-R359 WeakPolarHBondContact O-CG 3.43Å; S355-R359 PolarHBondContact O-N 3.2Å |
| 356 | F | 91.9 | Very high | 89.7 | Confident | 47 Ų | 47 | 48.8 Ų | 48.8 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -50.9 | 173.5 | 175.4 | -95.3 | 0 | 0 | 0 | 110.8 | P274 L277 R278 Y352 I354 R358 R359 T360 H390 | P274-F356 HydrophobicContact CB-CD2 4.04Å; P274-F356 HydrophobicContact CB-CE2 4.02Å; P274-F356 WeakPolarHBondContact O-CD2 3.38Å; L277-F356 HydrophobicContact CB-CB 4.15Å; L277-F356 HydrophobicContact CB-CD2 4.47Å; L277-F356 HydrophobicContact CD1-CB 4.3Å; R278-F356 HydrophobicContact CB-CD2 4.22Å; R278-F356 HydrophobicContact CB-CE2 4.03Å; Y352-F356 WeakPolarHBondContact O-CB 3.37Å; Y352-F356 PolarHBondContact O-N 3.3Å; I354-F356 VanDerWaalsContact C-N 3.3Å; I354-F356 PolarHBondContact O-N 3.22Å; F356-R358 VanDerWaalsContact C-N 3.29Å; F356-R358 PolarHBondContact O-N 3.18Å; F356-R359 PolarHBondContact O-N 2.75Å; F356-T360 HydrophobicContact CD1-CG2 4.48Å; F356-T360 HydrophobicContact CD2-CG2 4.25Å; F356-T360 HydrophobicContact CE1-CG2 4.04Å; F356-T360 HydrophobicContact CE2-CG2 3.8Å; F356-T360 HydrophobicContact CZ-CG2 3.68Å; F356-T360 PolarHBondContact O-N 2.92Å; F356-T360 VanDerWaalsContact O-N 3.1Å; F356-T360 PolarHBondContact O-OG1 2.92Å; F356-H390 AromaticContact CD1-CE1 3.86Å; F356-H390 AromaticContact CE1-CE1 3.74Å |
| 357 | S | 93.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -36.3 | -178.8 | -52.7 | 0 | 0 | 0 | 0 | 112.7 | R353 I354 R359 L361 H390 L409 | R353-S357 WeakPolarHBondContact O-CB 3.4Å; R353-S357 PolarHBondContact O-N 3.27Å; R353-S357 PolarHBondContact O-OG 3.02Å; I354-S357 PolarHBondContact O-N 3.23Å; I354-S357 VanDerWaalsContact O-N 3.15Å; S357-R359 VanDerWaalsContact C-N 3.25Å; S357-R359 PolarHBondContact O-N 3Å; S357-L361 VanDerWaalsContact O-CB 3.23Å; S357-L361 WeakPolarHBondContact O-CB 3.48Å; S357-L361 WeakPolarHBondContact O-CD1 3.42Å; S357-L361 WeakPolarHBondContact O-CG 3.36Å; S357-L361 PolarHBondContact O-N 3.44Å; S357-H390 VanDerWaalsContact CA-CE1 3.47Å; S357-H390 WeakPolarHBondContact CA-CE1 3.27Å; S357-H390 WeakPolarHBondContact CB-ND1 3.39Å; S357-H390 PolarHBondContact OG-ND1 3.4Å; S357-L409 VanDerWaalsContact CB-CD2 3.48Å |
| 358 | R | 93 | Very high | 88.7 | Confident | 99 Ų | 99 | 51.9 Ų | 51.9 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.6 | -26 | 175.1 | -76.6 | -179.6 | 167.1 | 130.9 | 7 | 113.9 | I354 S355 F356 D405 D408 L409 L412 | I354-R358 VanDerWaalsContact CG2-NH1 3.33Å; I354-R358 WeakPolarHBondContact O-CG 3.44Å; I354-R358 PolarHBondContact O-N 3.49Å; S355-R358 PolarHBondContact O-N 2.9Å; F356-R358 VanDerWaalsContact C-N 3.29Å; F356-R358 PolarHBondContact O-N 3.18Å; R358-D405 IonicContact CZ-OD1 2.9Å; R358-D405 VanDerWaalsContact CZ-OD1 3.29Å; R358-D405 IonicContact NH1-OD1 2.79Å; R358-D405 PolarHBondContact NH1-OD1 3.44Å; R358-D405 VanDerWaalsContact NH1-OD1 3.09Å; R358-D405 IonicContact NH2-OD1 3.53Å; R358-D405 PolarHBondContact NH2-OD1 3.44Å; R358-D408 IonicContact CZ-OD2 3.29Å; R358-D408 IonicContact NE-OD2 3.11Å; R358-D408 PolarHBondContact NE-OD2 2.57Å; R358-D408 IonicContact NH2-OD2 2.69Å; R358-D408 PolarHBondContact NH2-OD2 3.3Å; R358-L409 HydrophobicContact CG-CD2 3.9Å; R358-L412 HydrophobicContact CG-CD1 4.43Å |
| 359 | R | 89.6 | Confident | 88 | Confident | 108 Ų | 108 | 51.9 Ų | 51.9 | 41% | 0.408 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -90.9 | -27.7 | -178.3 | -70.9 | 178.5 | 179.7 | -171.2 | -9.9 | 113.4 | P271 P274 S355 F356 S357 | P271-R359 PolarHBondContact O-NH1 3.36Å; P271-R359 PolarHBondContact O-NH2 2.9Å; P274-R359 HydrophobicContact CB-CB 4.34Å; S355-R359 WeakPolarHBondContact O-CG 3.43Å; S355-R359 PolarHBondContact O-N 3.2Å; F356-R359 PolarHBondContact O-N 2.75Å; S357-R359 VanDerWaalsContact C-N 3.25Å; S357-R359 PolarHBondContact O-N 3Å |
| 360 | T | 90.7 | Very high | 87.5 | Confident | 35 Ų | 35 | 60 Ų | 60 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -96.9 | -25.7 | -177.4 | 58 | 0 | 0 | 0 | 0 | 113.1 | P274 F356 H390 | P274-T360 HydrophobicContact CB-CG2 3.91Å; P274-T360 HydrophobicContact CG-CG2 4.27Å; F356-T360 HydrophobicContact CD1-CG2 4.48Å; F356-T360 HydrophobicContact CD2-CG2 4.25Å; F356-T360 HydrophobicContact CE1-CG2 4.04Å; F356-T360 HydrophobicContact CE2-CG2 3.8Å; F356-T360 HydrophobicContact CZ-CG2 3.68Å; F356-T360 PolarHBondContact O-N 2.92Å; F356-T360 VanDerWaalsContact O-N 3.1Å; F356-T360 PolarHBondContact O-OG1 2.92Å; T360-H390 PolarHBondContact OG1-CE1 2.72Å; T360-H390 PolarHBondContact OG1-NE2 3.39Å |
| 361 | L | 91.8 | Very high | 87 | Confident | 13 Ų | 13 | 64 Ų | 64 | 7% | 0.068 | 33% | 0.333 | C | S | . | . | trans | -79.1 | 145.6 | 175.1 | -67.2 | 173.9 | 0 | 0 | 0 | 111.3 | S357 E363 H390 L409 L412 L413 | S357-L361 VanDerWaalsContact O-CB 3.23Å; S357-L361 WeakPolarHBondContact O-CB 3.48Å; S357-L361 WeakPolarHBondContact O-CD1 3.42Å; S357-L361 WeakPolarHBondContact O-CG 3.36Å; S357-L361 PolarHBondContact O-N 3.44Å; L361-E363 HydrophobicContact CD2-CG 4.01Å; L361-H390 HydrophobicContact CD1-CB 4.36Å; L361-H390 WeakPolarHBondContact CD2-CD2 3.5Å; L361-L409 HydrophobicContact CD1-CD2 4.26Å; L361-L412 HydrophobicContact CB-CB 3.87Å; L361-L412 HydrophobicContact CD1-CB 4.04Å; L361-L413 HydrophobicContact CD1-CB 4.33Å; L361-L413 HydrophobicContact CD2-CB 4.48Å; L361-L413 HydrophobicContact CD2-CD1 3.77Å | ||
| 362 | P | 90.6 | Very high | 86.2 | Confident | 74 Ų | 74 | 63.7 Ų | 63.7 | 48% | 0.481 | 33% | 0.33 | S | S | . | . | S | Bend | cis | -78.5 | 133.4 | 1.3 | 29.4 | -32.9 | 0 | 0 | 0 | 113.6 | D415 H416 | P362-D415 HydrophobicContact CB-CB 4.04Å; P362-D415 HydrophobicContact CG-CB 4.45Å; P362-H416 HydrophobicContact CB-CB 4.08Å |
| 363 | E | 88.4 | Confident | 85.5 | Confident | 58 Ų | 58 | 70.7 Ų | 70.7 | 27% | 0.271 | 36% | 0.364 | S | S | . | . | trans | -121.5 | 149.3 | 175.2 | 79.7 | -176.5 | 173.8 | 0 | 0 | 111.4 | L361 H388 H390 W419 | L361-E363 HydrophobicContact CD2-CG 4.01Å; E363-H388 IonicContact OE1-CD2 3.79Å; E363-H388 IonicContact OE1-CE1 2.74Å; E363-H388 PolarHBondContact OE1-CE1 3.47Å; E363-H388 IonicContact OE1-NE2 2.83Å; E363-H388 PolarHBondContact OE1-NE2 3.45Å; E363-H390 IonicContact OE1-CD2 2.78Å; E363-H390 PolarHBondContact OE1-CD2 2.7Å; E363-H390 IonicContact OE1-NE2 3.27Å; E363-H390 PolarHBondContact OE1-NE2 2.97Å; E363-H390 IonicContact OE2-NE2 3.09Å; E363-W419 PolarHBondContact O-NE1 3.2Å | ||
| 364 | P | 90 | Very high | 85 | Confident | 83 Ų | 83 | 73.1 Ų | 73.1 | 54% | 0.539 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 147.9 | 178.2 | 25.9 | -33.9 | 0 | 0 | 0 | 111.6 | ||
| 365 | A | 86.3 | Confident | 84.5 | Confident | 12 Ų | 12 | 74.9 Ų | 74.9 | 10% | 0.099 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 149.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S418 W419 Y422 | A365-S418 VanDerWaalsContact CB-OG 3.3Å; A365-S418 WeakPolarHBondContact CB-OG 3.28Å; A365-S418 PolarHBondContact N-OG 3.38Å; A365-W419 VanDerWaalsContact CA-CZ2 3.45Å; A365-W419 HydrophobicContact CB-CD2 3.68Å; A365-W419 HydrophobicContact CB-CE3 4.04Å; A365-W419 HydrophobicContact CB-CG 4.07Å; A365-W419 HydrophobicContact CB-CH2 4.23Å; A365-W419 HydrophobicContact CB-CZ2 3.82Å; A365-W419 HydrophobicContact CB-CZ3 4.34Å; A365-Y422 HydrophobicContact CB-CD2 4.22Å; A365-Y422 HydrophobicContact CB-CE2 3.6Å |
| 366 | P | 82.9 | Confident | 84.1 | Confident | 48 Ų | 48 | 75.3 Ų | 75.3 | 31% | 0.312 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 147 | 175.7 | 25.1 | -34.1 | 0 | 0 | 0 | 110.4 | L368 L384 Y422 | P366-L368 PolarHBondContact O-N 3.49Å; P366-L384 HydrophobicContact CG-CD2 3.9Å; P366-Y422 PolarHBondContact O-OH 3.01Å; P366-Y422 VanDerWaalsContact O-OH 3.12Å |
| 367 | N | 78 | Confident | 83.6 | Confident | 157 Ų | 157 | 81.8 Ų | 81.8 | 84% | 0.84 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -53 | 140.1 | 169.5 | -69.7 | -19.1 | 0 | 0 | 0 | 109.2 | ||
| 368 | L | 72 | Confident | 83.2 | Confident | 88 Ų | 88 | 90.1 Ų | 90.1 | 46% | 0.461 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 131.5 | 176.1 | -66.3 | 160.9 | 0 | 0 | 0 | 107.9 | P366 Y372 Y422 | P366-L368 PolarHBondContact O-N 3.49Å; L368-Y372 HydrophobicContact CB-CG 4.28Å; L368-Y372 HydrophobicContact CD2-CD1 3.66Å; L368-Y372 HydrophobicContact CD2-CD2 3.43Å; L368-Y372 VanDerWaalsContact CD2-CD2 3.43Å; L368-Y372 HydrophobicContact CD2-CE1 3.67Å; L368-Y372 HydrophobicContact CD2-CE2 3.44Å; L368-Y372 VanDerWaalsContact CD2-CE2 3.44Å; L368-Y372 HydrophobicContact CD2-CG 3.53Å; L368-Y372 HydrophobicContact CG-CG 4.43Å; L368-Y422 HydrophobicContact CD2-CE1 3.8Å; L368-Y422 WeakPolarHBondContact CD2-OH 3.21Å |
| 369 | P | 72.2 | Confident | 82.9 | Confident | 40 Ų | 40 | 90.2 Ų | 90.2 | 26% | 0.26 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 148.9 | 171.4 | 29.3 | -35.9 | 0 | 0 | 0 | 109.4 | N371 Y372 M375 L383 | P369-N371 WeakPolarHBondContact CB-OD1 3.43Å; P369-N371 PolarHBondContact O-N 3.32Å; P369-Y372 HydrophobicContact CG-CD2 4.33Å; P369-Y372 WeakPolarHBondContact O-CB 3.43Å; P369-Y372 PolarHBondContact O-N 3.02Å; P369-M375 HydrophobicContact CG-SD 3.69Å; P369-L383 HydrophobicContact CB-CD2 4.45Å; P369-L383 HydrophobicContact CG-CD2 3.71Å |
| 370 | D | 76 | Confident | 82.7 | Confident | 182 Ų | 182 | 86 Ų | 86 | 97% | 0.973 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28 | -175.6 | -58.6 | -38.4 | 0 | 0 | 0 | 113.1 | ||
| 371 | N | 80.4 | Confident | 82.5 | Confident | 89 Ų | 89 | 86.8 Ų | 86.8 | 48% | 0.476 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 12.3 | 178.4 | 70.1 | -16.2 | 0 | 0 | 0 | 114.3 | P369 E373 S374 M375 | P369-N371 WeakPolarHBondContact CB-OD1 3.43Å; P369-N371 PolarHBondContact O-N 3.32Å; N371-E373 VanDerWaalsContact C-N 3.26Å; N371-E373 PolarHBondContact O-N 3.32Å; N371-E373 VanDerWaalsContact O-N 3.14Å; N371-S374 PolarHBondContact O-N 2.97Å; N371-S374 PolarHBondContact O-OG 2.95Å; N371-M375 WeakPolarHBondContact O-CG 3.49Å; N371-M375 PolarHBondContact O-N 3.44Å |
| 372 | Y | 76.3 | Confident | 82.2 | Confident | 65 Ų | 65 | 89.7 Ų | 89.7 | 26% | 0.255 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -52.5 | -40.4 | -172.3 | -178.6 | -100 | 0 | 0 | 0 | 113.9 | L368 P369 S374 M375 V380 Y422 | L368-Y372 HydrophobicContact CB-CG 4.28Å; L368-Y372 HydrophobicContact CD2-CD1 3.66Å; L368-Y372 HydrophobicContact CD2-CD2 3.43Å; L368-Y372 VanDerWaalsContact CD2-CD2 3.43Å; L368-Y372 HydrophobicContact CD2-CE1 3.67Å; L368-Y372 HydrophobicContact CD2-CE2 3.44Å; L368-Y372 VanDerWaalsContact CD2-CE2 3.44Å; L368-Y372 HydrophobicContact CD2-CG 3.53Å; L368-Y372 HydrophobicContact CG-CG 4.43Å; P369-Y372 HydrophobicContact CG-CD2 4.33Å; P369-Y372 WeakPolarHBondContact O-CB 3.43Å; P369-Y372 PolarHBondContact O-N 3.02Å; Y372-S374 PolarHBondContact O-N 3.38Å; Y372-M375 PolarHBondContact O-N 3.39Å; Y372-M375 VanDerWaalsContact O-N 3.16Å; Y372-V380 HydrophobicContact CD2-CG2 4.05Å; Y372-V380 HydrophobicContact CE2-CB 4.36Å; Y372-V380 HydrophobicContact CE2-CG1 3.65Å; Y372-V380 HydrophobicContact CE2-CG2 3.71Å; Y372-Y422 HydrophobicContact CE2-CD1 4.37Å; Y372-Y422 AromaticContact CE2-CE1 3.78Å; Y372-Y422 HydrophobicContact CE2-CE1 3.78Å |
| 373 | E | 74.8 | Confident | 82 | Confident | 197 Ų | 197 | 88.7 Ų | 88.7 | 92% | 0.921 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -64.7 | -28.6 | -179.8 | -62.9 | -170.9 | 163.6 | 0 | 0 | 113 | N371 | N371-E373 VanDerWaalsContact C-N 3.26Å; N371-E373 PolarHBondContact O-N 3.32Å; N371-E373 VanDerWaalsContact O-N 3.14Å |
| 374 | S | 80.7 | Confident | 82 | Confident | 93 Ų | 93 | 86.2 Ų | 86.2 | 65% | 0.65 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -85 | -14.9 | 177.3 | 71.3 | 0 | 0 | 0 | 0 | 113.6 | N371 Y372 | N371-S374 PolarHBondContact O-N 2.97Å; N371-S374 PolarHBondContact O-OG 2.95Å; Y372-S374 PolarHBondContact O-N 3.38Å |
| 375 | M | 82.3 | Confident | 81.9 | Confident | 37 Ų | 37 | 86 Ų | 86 | 18% | 0.182 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -76 | 134.2 | -175.5 | -67.2 | -177.9 | 74.4 | 0 | 0 | 111.5 | P369 N371 Y372 E379 V380 L383 | P369-M375 HydrophobicContact CG-SD 3.69Å; N371-M375 WeakPolarHBondContact O-CG 3.49Å; N371-M375 PolarHBondContact O-N 3.44Å; Y372-M375 PolarHBondContact O-N 3.39Å; Y372-M375 VanDerWaalsContact O-N 3.16Å; M375-E379 HydrophobicContact CB-CB 4.34Å; M375-E379 HydrophobicContact CE-CB 3.55Å; M375-V380 HydrophobicContact CB-CG2 3.7Å; M375-V380 HydrophobicContact CE-CG2 4.46Å; M375-V380 HydrophobicContact SD-CG2 4.41Å; M375-L383 HydrophobicContact CE-CB 4.27Å; M375-L383 HydrophobicContact CE-CD2 4.07Å; M375-L383 HydrophobicContact SD-CD2 4.3Å |
| 376 | S | 85 | Confident | 81.8 | Confident | 55 Ų | 55 | 95.6 Ų | 95.6 | 39% | 0.385 | 48% | 0.477 | S | S | . | . | trans | -63.2 | 154.1 | 168.5 | 72.1 | 0 | 0 | 0 | 0 | 111.1 | K378 E379 V380 | S376-K378 PolarHBondContact O-N 3.24Å; S376-E379 WeakPolarHBondContact CA-OE2 3.39Å; S376-E379 VanDerWaalsContact CB-OE2 3.25Å; S376-E379 WeakPolarHBondContact CB-OE2 3.33Å; S376-E379 PolarHBondContact N-OE2 3.05Å; S376-E379 PolarHBondContact O-N 3.41Å; S376-E379 VanDerWaalsContact OG-CD 3.29Å; S376-E379 VanDerWaalsContact OG-CG 3.29Å; S376-E379 WeakPolarHBondContact OG-CG 3.3Å; S376-E379 PolarHBondContact OG-N 3.41Å; S376-E379 PolarHBondContact OG-OE2 3.05Å; S376-V380 PolarHBondContact O-N 3.49Å | ||
| 377 | K | 81.9 | Confident | 81.8 | Confident | 184 Ų | 184 | 98 Ų | 98 | 80% | 0.8 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -54.2 | -30 | 175.1 | -66.4 | 177.6 | -178.3 | 170.5 | 0 | 113 | K381 | K377-K381 WeakPolarHBondContact O-CB 3.38Å; K377-K381 PolarHBondContact O-N 3.18Å |
| 378 | K | 85.1 | Confident | 82.3 | Confident | 176 Ų | 176 | 91.2 Ų | 91.2 | 77% | 0.765 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -71.8 | -41.9 | 177.7 | -73.6 | -176.5 | 179.9 | 176.5 | 0 | 111.5 | S376 K381 S382 | S376-K378 PolarHBondContact O-N 3.24Å; K378-K381 PolarHBondContact O-N 3.49Å; K378-S382 WeakPolarHBondContact O-CB 3.16Å; K378-S382 PolarHBondContact O-N 2.58Å |
| 379 | E | 86.2 | Confident | 83.1 | Confident | 101 Ų | 101 | 89.3 Ų | 89.3 | 47% | 0.472 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.4 | -45.6 | 178.7 | -69.7 | 161.9 | 134 | 0 | 0 | 111.2 | M375 S376 K381 S382 L383 | M375-E379 HydrophobicContact CB-CB 4.34Å; M375-E379 HydrophobicContact CE-CB 3.55Å; S376-E379 WeakPolarHBondContact CA-OE2 3.39Å; S376-E379 VanDerWaalsContact CB-OE2 3.25Å; S376-E379 WeakPolarHBondContact CB-OE2 3.33Å; S376-E379 PolarHBondContact N-OE2 3.05Å; S376-E379 PolarHBondContact O-N 3.41Å; S376-E379 VanDerWaalsContact OG-CD 3.29Å; S376-E379 VanDerWaalsContact OG-CG 3.29Å; S376-E379 WeakPolarHBondContact OG-CG 3.3Å; S376-E379 PolarHBondContact OG-N 3.41Å; S376-E379 PolarHBondContact OG-OE2 3.05Å; E379-K381 VanDerWaalsContact C-N 3.3Å; E379-K381 PolarHBondContact O-N 2.79Å; E379-S382 WeakPolarHBondContact O-CB 3.26Å; E379-S382 PolarHBondContact O-N 2.75Å; E379-S382 VanDerWaalsContact O-N 3.09Å; E379-L383 WeakPolarHBondContact O-CB 3.45Å; E379-L383 PolarHBondContact O-N 3.17Å |
| 380 | V | 84.5 | Confident | 84.1 | Confident | 19 Ų | 19 | 87.6 Ų | 87.6 | 12% | 0.115 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -56.5 | -46.5 | 175.1 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | Y372 M375 S376 S382 L383 L384 Y422 | Y372-V380 HydrophobicContact CD2-CG2 4.05Å; Y372-V380 HydrophobicContact CE2-CB 4.36Å; Y372-V380 HydrophobicContact CE2-CG1 3.65Å; Y372-V380 HydrophobicContact CE2-CG2 3.71Å; M375-V380 HydrophobicContact CB-CG2 3.7Å; M375-V380 HydrophobicContact CE-CG2 4.46Å; M375-V380 HydrophobicContact SD-CG2 4.41Å; S376-V380 PolarHBondContact O-N 3.49Å; V380-S382 VanDerWaalsContact C-N 3.35Å; V380-S382 PolarHBondContact O-N 2.91Å; V380-L383 PolarHBondContact O-N 3.49Å; V380-L384 HydrophobicContact CG1-CD1 3.99Å; V380-L384 HydrophobicContact CG1-CG 4.35Å; V380-L384 WeakPolarHBondContact O-CB 3.36Å; V380-L384 VanDerWaalsContact O-CG 3.28Å; V380-L384 WeakPolarHBondContact O-CG 3.19Å; V380-L384 PolarHBondContact O-N 3.23Å; V380-Y422 HydrophobicContact CG1-CD1 4.32Å |
| 381 | K | 86.4 | Confident | 85 | Confident | 52 Ų | 52 | 78.9 Ų | 78.9 | 23% | 0.226 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 176.4 | 172.4 | 179 | 165.6 | -173.5 | 0 | 112.4 | D320 K377 K378 E379 R385 | D320-K381 IonicContact OD2-NZ 3.86Å; K377-K381 WeakPolarHBondContact O-CB 3.38Å; K377-K381 PolarHBondContact O-N 3.18Å; K378-K381 PolarHBondContact O-N 3.49Å; E379-K381 VanDerWaalsContact C-N 3.3Å; E379-K381 PolarHBondContact O-N 2.79Å; K381-R385 WeakPolarHBondContact O-CB 3.47Å; K381-R385 WeakPolarHBondContact O-CD 3.44Å; K381-R385 VanDerWaalsContact O-CG 3.24Å; K381-R385 WeakPolarHBondContact O-CG 3.09Å; K381-R385 PolarHBondContact O-N 3.03Å; K381-R385 VanDerWaalsContact O-N 3.17Å |
| 382 | S | 87 | Confident | 85.6 | Confident | 74 Ų | 74 | 76.4 Ų | 76.4 | 52% | 0.517 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 178 | -168.5 | 0 | 0 | 0 | 0 | 111.2 | K378 E379 V380 R385 R386 | K378-S382 WeakPolarHBondContact O-CB 3.16Å; K378-S382 PolarHBondContact O-N 2.58Å; E379-S382 WeakPolarHBondContact O-CB 3.26Å; E379-S382 PolarHBondContact O-N 2.75Å; E379-S382 VanDerWaalsContact O-N 3.09Å; V380-S382 VanDerWaalsContact C-N 3.35Å; V380-S382 PolarHBondContact O-N 2.91Å; S382-R385 PolarHBondContact O-N 3.13Å; S382-R386 WeakPolarHBondContact O-CB 3.2Å; S382-R386 PolarHBondContact O-N 2.85Å |
| 383 | L | 86.3 | Confident | 86.5 | Confident | 52 Ų | 52 | 73.4 Ų | 73.4 | 27% | 0.272 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.8 | -52.7 | 177.9 | -176.2 | 73.4 | 0 | 0 | 0 | 111.4 | P369 M375 E379 V380 R385 R386 N387 | P369-L383 HydrophobicContact CB-CD2 4.45Å; P369-L383 HydrophobicContact CG-CD2 3.71Å; M375-L383 HydrophobicContact CE-CB 4.27Å; M375-L383 HydrophobicContact CE-CD2 4.07Å; M375-L383 HydrophobicContact SD-CD2 4.3Å; E379-L383 WeakPolarHBondContact O-CB 3.45Å; E379-L383 PolarHBondContact O-N 3.17Å; V380-L383 PolarHBondContact O-N 3.49Å; L383-R385 VanDerWaalsContact C-N 3.31Å; L383-R385 PolarHBondContact O-N 2.85Å; L383-R386 PolarHBondContact O-N 3.23Å; L383-R386 VanDerWaalsContact O-N 3.15Å; L383-N387 WeakPolarHBondContact CD1-ND2 3.32Å; L383-N387 PolarHBondContact O-N 3.43Å |
| 384 | L | 87.2 | Confident | 87.5 | Confident | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 179 | -72 | 175.1 | 0 | 0 | 0 | 111.6 | P366 V380 R386 H388 L391 W419 Y422 | P366-L384 HydrophobicContact CG-CD2 3.9Å; V380-L384 HydrophobicContact CG1-CD1 3.99Å; V380-L384 HydrophobicContact CG1-CG 4.35Å; V380-L384 WeakPolarHBondContact O-CB 3.36Å; V380-L384 VanDerWaalsContact O-CG 3.28Å; V380-L384 WeakPolarHBondContact O-CG 3.19Å; V380-L384 PolarHBondContact O-N 3.23Å; L384-R386 VanDerWaalsContact C-N 3.33Å; L384-R386 PolarHBondContact O-N 3Å; L384-H388 WeakPolarHBondContact O-CB 3.24Å; L384-H388 PolarHBondContact O-N 3.07Å; L384-L391 HydrophobicContact CB-CD1 3.67Å; L384-W419 HydrophobicContact CD2-CZ3 4.25Å; L384-Y422 HydrophobicContact CD1-CD1 3.64Å; L384-Y422 HydrophobicContact CD1-CE1 4.24Å; L384-Y422 HydrophobicContact CD1-CG 3.94Å; L384-Y422 HydrophobicContact CD2-CD1 4.27Å; L384-Y422 HydrophobicContact CD2-CE1 4.1Å; L384-Y422 HydrophobicContact CG-CD1 4.46Å |
| 385 | R | 88.1 | Confident | 88.2 | Confident | 80 Ų | 80 | 60.8 Ų | 60.8 | 30% | 0.302 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69 | -30.1 | 179.2 | -73.7 | 171.2 | 171.6 | -158.1 | -9.4 | 113.3 | K381 S382 L383 L391 P392 I395 E424 | K381-R385 WeakPolarHBondContact O-CB 3.47Å; K381-R385 WeakPolarHBondContact O-CD 3.44Å; K381-R385 VanDerWaalsContact O-CG 3.24Å; K381-R385 WeakPolarHBondContact O-CG 3.09Å; K381-R385 PolarHBondContact O-N 3.03Å; K381-R385 VanDerWaalsContact O-N 3.17Å; S382-R385 PolarHBondContact O-N 3.13Å; L383-R385 VanDerWaalsContact C-N 3.31Å; L383-R385 PolarHBondContact O-N 2.85Å; R385-L391 HydrophobicContact CG-CB 4.41Å; R385-P392 HydrophobicContact CB-CG 4.45Å; R385-P392 WeakPolarHBondContact O-CG 3.04Å; R385-I395 HydrophobicContact CG-CD1 4.23Å; R385-I395 VanDerWaalsContact CZ-CD1 3.45Å; R385-E424 IonicContact CZ-OE1 3.82Å; R385-E424 VanDerWaalsContact CZ-OE1 3.25Å; R385-E424 IonicContact NE-OE1 3Å; R385-E424 PolarHBondContact NE-OE1 3.06Å; R385-E424 IonicContact NH2-OE1 3.08Å; R385-E424 PolarHBondContact NH2-OE1 3.09Å |
| 386 | R | 85.3 | Confident | 88.8 | Confident | 212 Ų | 212 | 60.5 Ų | 60.5 | 80% | 0.8 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -76.4 | -43 | 179 | -179.7 | 178.8 | 136.3 | 129.2 | -2.3 | 111.5 | S382 L383 L384 | S382-R386 WeakPolarHBondContact O-CB 3.2Å; S382-R386 PolarHBondContact O-N 2.85Å; L383-R386 PolarHBondContact O-N 3.23Å; L383-R386 VanDerWaalsContact O-N 3.15Å; L384-R386 VanDerWaalsContact C-N 3.33Å; L384-R386 PolarHBondContact O-N 3Å |
| 387 | N | 82.7 | Confident | 89.3 | Confident | 100 Ų | 100 | 57.9 Ų | 57.9 | 54% | 0.535 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -89.5 | -22.5 | -171.7 | -64.6 | -11.7 | 0 | 0 | 0 | 113 | L383 | L383-N387 WeakPolarHBondContact CD1-ND2 3.32Å; L383-N387 PolarHBondContact O-N 3.43Å |
| 388 | H | 87.7 | Confident | 90 | Very high | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.065 | 25% | 0.254 | C | S | . | . | trans | -115.9 | 104.5 | -173.2 | -157.8 | -94.4 | 0 | 0 | 0 | 112.7 | E363 L384 H390 L391 P392 W419 | E363-H388 IonicContact OE1-CD2 3.79Å; E363-H388 IonicContact OE1-CE1 2.74Å; E363-H388 PolarHBondContact OE1-CE1 3.47Å; E363-H388 IonicContact OE1-NE2 2.83Å; E363-H388 PolarHBondContact OE1-NE2 3.45Å; L384-H388 WeakPolarHBondContact O-CB 3.24Å; L384-H388 PolarHBondContact O-N 3.07Å; H388-H390 AromaticContact CE1-CD2 3.29Å; H388-H390 PolarHBondContact CE1-CD2 2.79Å; H388-H390 AromaticContact CE1-CG 3.86Å; H388-H390 AromaticContact ND1-CD2 3.93Å; H388-H390 PolarHBondContact O-N 3.05Å; H388-H390 VanDerWaalsContact O-N 3.09Å; H388-L391 HydrophobicContact CB-CD1 4.45Å; H388-L391 PolarHBondContact O-N 3.17Å; H388-P392 WeakPolarHBondContact O-CD 3.46Å; H388-W419 HydrophobicContact CB-CH2 4.17Å; H388-W419 AromaticContact CD2-CH2 3.52Å; H388-W419 AromaticContact CD2-CZ2 3.54Å; H388-W419 AromaticContact CE1-CH2 3.56Å; H388-W419 AromaticContact CE1-CZ2 3.27Å; H388-W419 WeakPolarHBondContact CE1-CZ2 3.4Å; H388-W419 AromaticContact CG-CH2 3.52Å; H388-W419 AromaticContact CG-CZ2 3.93Å; H388-W419 AromaticContact ND1-CH2 3.59Å; H388-W419 AromaticContact ND1-CZ2 3.81Å; H388-W419 AromaticContact NE2-CH2 3.51Å; H388-W419 AromaticContact NE2-CZ2 3.06Å; H388-W419 WeakPolarHBondContact NE2-CZ2 2.99Å | ||
| 389 | G | 88.4 | Confident | 90.4 | Very high | 47 Ų | 47 | 49 Ų | 49 | 49% | 0.485 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26 | -171 | 0 | 0 | 0 | 0 | 0 | 115.3 | R353 P392 T393 | R353-G389 PolarHBondContact NH2-O 2.82Å; G389-P392 WeakPolarHBondContact O-CD 3.36Å; G389-T393 PolarHBondContact O-N 2.65Å; G389-T393 PolarHBondContact O-OG1 3.22Å |
| 390 | H | 94.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.9 | -36.6 | -178.6 | -58 | -42.6 | 0 | 0 | 0 | 113.2 | F356 S357 T360 L361 E363 H388 T393 I394 L413 | F356-H390 AromaticContact CD1-CE1 3.86Å; F356-H390 AromaticContact CE1-CE1 3.74Å; S357-H390 VanDerWaalsContact CA-CE1 3.47Å; S357-H390 WeakPolarHBondContact CA-CE1 3.27Å; S357-H390 WeakPolarHBondContact CB-ND1 3.39Å; S357-H390 PolarHBondContact OG-ND1 3.4Å; T360-H390 PolarHBondContact OG1-CE1 2.72Å; T360-H390 PolarHBondContact OG1-NE2 3.39Å; L361-H390 HydrophobicContact CD1-CB 4.36Å; L361-H390 WeakPolarHBondContact CD2-CD2 3.5Å; E363-H390 IonicContact OE1-CD2 2.78Å; E363-H390 PolarHBondContact OE1-CD2 2.7Å; E363-H390 IonicContact OE1-NE2 3.27Å; E363-H390 PolarHBondContact OE1-NE2 2.97Å; E363-H390 IonicContact OE2-NE2 3.09Å; H388-H390 AromaticContact CE1-CD2 3.29Å; H388-H390 PolarHBondContact CE1-CD2 2.79Å; H388-H390 AromaticContact CE1-CG 3.86Å; H388-H390 AromaticContact ND1-CD2 3.93Å; H388-H390 PolarHBondContact O-N 3.05Å; H388-H390 VanDerWaalsContact O-N 3.09Å; H390-T393 WeakPolarHBondContact O-CA 3.44Å; H390-T393 WeakPolarHBondContact O-CB 3.4Å; H390-T393 PolarHBondContact O-N 3.04Å; H390-I394 WeakPolarHBondContact O-CG1 3.47Å; H390-I394 PolarHBondContact O-N 3.26Å; H390-L413 HydrophobicContact CB-CD1 4.39Å |
| 391 | L | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.4 | -49.7 | -179.4 | -69.7 | 172.8 | 0 | 0 | 0 | 111.8 | L384 R385 H388 T393 I394 I395 L413 W419 E424 P425 L428 | L384-L391 HydrophobicContact CB-CD1 3.67Å; R385-L391 HydrophobicContact CG-CB 4.41Å; H388-L391 HydrophobicContact CB-CD1 4.45Å; H388-L391 PolarHBondContact O-N 3.17Å; L391-T393 PolarHBondContact O-N 2.65Å; L391-I394 PolarHBondContact O-N 3.41Å; L391-I395 WeakPolarHBondContact O-CD1 3.48Å; L391-I395 VanDerWaalsContact O-CG1 3.3Å; L391-I395 WeakPolarHBondContact O-CG1 3.43Å; L391-I395 PolarHBondContact O-N 3.39Å; L391-L413 HydrophobicContact CD2-CD2 3.51Å; L391-L413 HydrophobicContact CG-CD2 4.26Å; L391-W419 HydrophobicContact CD1-CZ3 4.2Å; L391-E424 HydrophobicContact CD1-CG 4.44Å; L391-E424 HydrophobicContact CD2-CG 4.27Å; L391-P425 HydrophobicContact CD2-CG 4.4Å; L391-L428 HydrophobicContact CD2-CD1 3.5Å |
| 392 | P | 93.4 | Very high | 91.6 | Very high | 36 Ų | 36 | 56.6 Ų | 56.6 | 23% | 0.234 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -23.7 | 171.4 | -21.7 | 33.2 | 0 | 0 | 0 | 113.8 | R385 H388 G389 S396 | R385-P392 HydrophobicContact CB-CG 4.45Å; R385-P392 WeakPolarHBondContact O-CG 3.04Å; H388-P392 WeakPolarHBondContact O-CD 3.46Å; G389-P392 WeakPolarHBondContact O-CD 3.36Å; P392-S396 WeakPolarHBondContact O-CB 3.25Å; P392-S396 PolarHBondContact O-N 3.24Å; P392-S396 PolarHBondContact O-OG 2.73Å |
| 393 | T | 94.5 | Very high | 92 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69 | -51.5 | 176.2 | -59.5 | 0 | 0 | 0 | 0 | 109.1 | L350 R353 I354 G389 H390 L391 I395 S396 C397 L409 | L350-T393 HydrophobicContact CD1-CG2 4.3Å; R353-T393 HydrophobicContact CB-CG2 3.98Å; R353-T393 VanDerWaalsContact CZ-OG1 3.27Å; R353-T393 PolarHBondContact NE-OG1 3.01Å; R353-T393 VanDerWaalsContact NE-OG1 3.14Å; R353-T393 VanDerWaalsContact NH2-CA 3.29Å; R353-T393 PolarHBondContact NH2-OG1 3.48Å; I354-T393 HydrophobicContact CG1-CG2 3.89Å; G389-T393 PolarHBondContact O-N 2.65Å; G389-T393 PolarHBondContact O-OG1 3.22Å; H390-T393 WeakPolarHBondContact O-CA 3.44Å; H390-T393 WeakPolarHBondContact O-CB 3.4Å; H390-T393 PolarHBondContact O-N 3.04Å; L391-T393 PolarHBondContact O-N 2.65Å; T393-I395 VanDerWaalsContact C-N 3.3Å; T393-I395 PolarHBondContact O-N 3.02Å; T393-S396 WeakPolarHBondContact O-CA 3.16Å; T393-S396 WeakPolarHBondContact O-CB 3.08Å; T393-S396 PolarHBondContact O-N 3.43Å; T393-C397 PolarHBondContact O-N 2.96Å; T393-C397 PolarHBondContact O-SG 3.06Å; T393-L409 HydrophobicContact CG2-CD1 3.78Å |
| 394 | I | 96.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.9 | -45.7 | 175.7 | -63.4 | 162.6 | 0 | 0 | 0 | 110.8 | H390 L391 S396 C397 L398 A406 L409 S410 L413 L428 | H390-I394 WeakPolarHBondContact O-CG1 3.47Å; H390-I394 PolarHBondContact O-N 3.26Å; L391-I394 PolarHBondContact O-N 3.41Å; I394-S396 VanDerWaalsContact C-N 3.29Å; I394-S396 PolarHBondContact O-N 3.4Å; I394-C397 WeakPolarHBondContact O-CB 3.47Å; I394-C397 PolarHBondContact O-N 2.72Å; I394-L398 HydrophobicContact CG2-CD1 4.36Å; I394-L398 WeakPolarHBondContact O-CG 3.35Å; I394-L398 PolarHBondContact O-N 2.9Å; I394-A406 HydrophobicContact CG2-CB 4.26Å; I394-L409 HydrophobicContact CD1-CB 4.21Å; I394-L409 HydrophobicContact CG1-CB 3.66Å; I394-L409 HydrophobicContact CG1-CD1 4.4Å; I394-S410 WeakPolarHBondContact CG2-OG 2.99Å; I394-L413 HydrophobicContact CD1-CD2 4.03Å; I394-L428 HydrophobicContact CB-CD1 4.15Å; I394-L428 HydrophobicContact CD1-CD1 4.33Å; I394-L428 HydrophobicContact CG2-CB 3.91Å; I394-L428 HydrophobicContact CG2-CD1 3.99Å; I394-L428 HydrophobicContact CG2-CD2 4.37Å; I394-L428 HydrophobicContact CG2-CG 4.31Å |
| 395 | I | 95.4 | Very high | 92.8 | Very high | 25 Ų | 25 | 56.7 Ų | 56.7 | 13% | 0.128 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.9 | -40.7 | 176.5 | -66.8 | 163.3 | 0 | 0 | 0 | 111.4 | R385 L391 T393 L398 K399 L428 | R385-I395 HydrophobicContact CG-CD1 4.23Å; R385-I395 VanDerWaalsContact CZ-CD1 3.45Å; L391-I395 WeakPolarHBondContact O-CD1 3.48Å; L391-I395 VanDerWaalsContact O-CG1 3.3Å; L391-I395 WeakPolarHBondContact O-CG1 3.43Å; L391-I395 PolarHBondContact O-N 3.39Å; T393-I395 VanDerWaalsContact C-N 3.3Å; T393-I395 PolarHBondContact O-N 3.02Å; I395-L398 PolarHBondContact O-N 3.33Å; I395-K399 HydrophobicContact CG2-CD 4.26Å; I395-K399 WeakPolarHBondContact O-CG 3.31Å; I395-K399 PolarHBondContact O-N 3.43Å; I395-L428 HydrophobicContact CD1-CD2 4.44Å; I395-L428 HydrophobicContact CG1-CD1 4.35Å; I395-L428 HydrophobicContact CG1-CD2 3.64Å |
| 396 | S | 94.5 | Very high | 93.2 | Very high | 30 Ų | 30 | 52.9 Ų | 52.9 | 21% | 0.21 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 178.3 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | P392 T393 I394 K399 R400 | P392-S396 WeakPolarHBondContact O-CB 3.25Å; P392-S396 PolarHBondContact O-N 3.24Å; P392-S396 PolarHBondContact O-OG 2.73Å; T393-S396 WeakPolarHBondContact O-CA 3.16Å; T393-S396 WeakPolarHBondContact O-CB 3.08Å; T393-S396 PolarHBondContact O-N 3.43Å; I394-S396 VanDerWaalsContact C-N 3.29Å; I394-S396 PolarHBondContact O-N 3.4Å; S396-K399 PolarHBondContact O-N 3.08Å; S396-R400 WeakPolarHBondContact O-CB 3.37Å; S396-R400 WeakPolarHBondContact O-CG 3.2Å; S396-R400 PolarHBondContact O-N 3.45Å; S396-R400 VanDerWaalsContact O-N 3.1Å |
| 397 | C | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.9 | -49.2 | 173.5 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | I354 T393 I394 K399 R400 R401 R402 A406 | I354-C397 WeakPolarHBondContact CD1-SG 3.38Å; I354-C397 VanDerWaalsContact CG1-SG 3.6Å; T393-C397 PolarHBondContact O-N 2.96Å; T393-C397 PolarHBondContact O-SG 3.06Å; I394-C397 WeakPolarHBondContact O-CB 3.47Å; I394-C397 PolarHBondContact O-N 2.72Å; C397-K399 PolarHBondContact O-N 3.34Å; C397-R400 CarbonylContact O-C 3.35Å; C397-R400 PolarHBondContact O-N 2.99Å; C397-R400 VanDerWaalsContact O-N 3.15Å; C397-R401 PolarHBondContact O-N 3.46Å; C397-R402 HydrophobicContact CB-CB 4.13Å; C397-R402 PolarHBondContact O-N 3.35Å; C397-A406 HydrophobicContact CB-CB 3.71Å |
| 398 | L | 95.8 | Very high | 94.4 | Very high | 25 Ų | 25 | 40.9 Ų | 40.9 | 13% | 0.131 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.3 | -47 | 176.9 | -70.2 | 172.5 | 0 | 0 | 0 | 111.9 | I394 I395 R400 R401 F403 A406 L428 K431 | I394-L398 HydrophobicContact CG2-CD1 4.36Å; I394-L398 WeakPolarHBondContact O-CG 3.35Å; I394-L398 PolarHBondContact O-N 2.9Å; I395-L398 PolarHBondContact O-N 3.33Å; L398-R400 PolarHBondContact O-N 3.16Å; L398-R401 PolarHBondContact O-N 2.85Å; L398-F403 HydrophobicContact CD2-CD1 4.2Å; L398-A406 HydrophobicContact CD2-CB 3.64Å; L398-A406 HydrophobicContact CG-CB 3.75Å; L398-L428 HydrophobicContact CD1-CD2 4.09Å; L398-K431 HydrophobicContact CD1-CB 4.07Å |
| 399 | K | 94.4 | Very high | 94.9 | Very high | 149 Ų | 149 | 40.2 Ų | 40.2 | 65% | 0.648 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -63.1 | -26.8 | 178.7 | -75.3 | -177.5 | 177.1 | -170.9 | 0 | 113.5 | I395 S396 C397 | I395-K399 HydrophobicContact CG2-CD 4.26Å; I395-K399 WeakPolarHBondContact O-CG 3.31Å; I395-K399 PolarHBondContact O-N 3.43Å; S396-K399 PolarHBondContact O-N 3.08Å; C397-K399 PolarHBondContact O-N 3.34Å |
| 400 | R | 93 | Very high | 95.3 | Very high | 103 Ų | 103 | 38 Ų | 38 | 39% | 0.389 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 16.4 | -179.4 | -65.9 | -165.7 | -174.5 | 165.8 | -1.7 | 114 | S346 L350 S396 C397 L398 R402 | S346-R400 VanDerWaalsContact C-NH1 3.33Å; S346-R400 PolarHBondContact O-NH1 3.43Å; S346-R400 PolarHBondContact OG-NH2 2.85Å; L350-R400 HydrophobicContact CD2-CB 4.48Å; L350-R400 HydrophobicContact CD2-CG 4.43Å; S396-R400 WeakPolarHBondContact O-CB 3.37Å; S396-R400 WeakPolarHBondContact O-CG 3.2Å; S396-R400 PolarHBondContact O-N 3.45Å; S396-R400 VanDerWaalsContact O-N 3.1Å; C397-R400 CarbonylContact O-C 3.35Å; C397-R400 PolarHBondContact O-N 2.99Å; C397-R400 VanDerWaalsContact O-N 3.15Å; L398-R400 PolarHBondContact O-N 3.16Å; R400-R402 PolarHBondContact O-N 3.31Å; R400-R402 VanDerWaalsContact O-N 3.15Å |
| 401 | R | 93.5 | Very high | 95.4 | Very high | 177 Ų | 177 | 37.9 Ų | 37.9 | 67% | 0.668 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 24 | -179.5 | -52.6 | -174.6 | 178.7 | -174.5 | 1 | 114.2 | C397 L398 F403 | C397-R401 PolarHBondContact O-N 3.46Å; L398-R401 PolarHBondContact O-N 2.85Å; R401-F403 HydrophobicContact CB-CE1 4.35Å; R401-F403 HydrophobicContact CB-CE2 3.87Å; R401-F403 HydrophobicContact CB-CZ 3.77Å; R401-F403 HydrophobicContact CG-CE2 4.31Å; R401-F403 HydrophobicContact CG-CZ 3.85Å; R401-F403 PolarHBondContact O-N 2.97Å; R401-F403 VanDerWaalsContact O-N 3.15Å |
| 402 | R | 94.3 | Very high | 95.4 | Very high | 51 Ų | 51 | 39.3 Ų | 39.3 | 19% | 0.192 | 18% | 0.184 | C | C | . | . | trans | -88.8 | 62.4 | 171.9 | -66.9 | -170.7 | 65.7 | 174.8 | -0.1 | 109.8 | E351 C397 R400 D405 A406 | E351-R402 IonicContact OE1-CZ 2.9Å; E351-R402 IonicContact OE1-NH1 2.88Å; E351-R402 PolarHBondContact OE1-NH1 3.04Å; E351-R402 IonicContact OE1-NH2 3.88Å; E351-R402 IonicContact OE2-CZ 3.19Å; E351-R402 VanDerWaalsContact OE2-CZ 3.22Å; E351-R402 IonicContact OE2-NH1 3.11Å; E351-R402 PolarHBondContact OE2-NH1 2.89Å; E351-R402 IonicContact OE2-NH2 2.68Å; E351-R402 PolarHBondContact OE2-NH2 3.46Å; C397-R402 HydrophobicContact CB-CB 4.13Å; C397-R402 PolarHBondContact O-N 3.35Å; R400-R402 PolarHBondContact O-N 3.31Å; R400-R402 VanDerWaalsContact O-N 3.15Å; R402-D405 HydrophobicContact CB-CB 4.37Å; R402-D405 IonicContact CZ-OD2 3.25Å; R402-D405 IonicContact NE-OD2 2.72Å; R402-D405 PolarHBondContact NE-OD2 2.82Å; R402-D405 IonicContact NH2-OD1 3.35Å; R402-D405 IonicContact NH2-OD2 3.22Å; R402-D405 PolarHBondContact NH2-OD2 3.4Å; R402-D405 PolarHBondContact O-N 3.44Å; R402-A406 PolarHBondContact O-N 3.32Å; R402-A406 VanDerWaalsContact O-N 3.08Å | ||
| 403 | F | 95.5 | Very high | 95.5 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 25% | 0.254 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -67.4 | -40.8 | -167.3 | -54 | -54.9 | 0 | 0 | 0 | 112.4 | L398 R401 D405 A406 L407 C435 I436 | L398-F403 HydrophobicContact CD2-CD1 4.2Å; R401-F403 HydrophobicContact CB-CE1 4.35Å; R401-F403 HydrophobicContact CB-CE2 3.87Å; R401-F403 HydrophobicContact CB-CZ 3.77Å; R401-F403 HydrophobicContact CG-CE2 4.31Å; R401-F403 HydrophobicContact CG-CZ 3.85Å; R401-F403 PolarHBondContact O-N 2.97Å; R401-F403 VanDerWaalsContact O-N 3.15Å; F403-D405 VanDerWaalsContact C-N 3.35Å; F403-D405 PolarHBondContact O-N 3.35Å; F403-A406 CarbonylContact O-C 3.51Å; F403-A406 WeakPolarHBondContact O-CA 3.02Å; F403-A406 WeakPolarHBondContact O-CB 3.26Å; F403-A406 PolarHBondContact O-N 3.4Å; F403-A406 VanDerWaalsContact O-N 3.08Å; F403-L407 PolarHBondContact O-N 3.31Å; F403-C435 HydrophobicContact CB-CB 4.24Å; F403-C435 HydrophobicContact CD1-CB 3.42Å; F403-C435 VanDerWaalsContact CD1-CB 3.42Å; F403-C435 HydrophobicContact CD2-CB 4.18Å; F403-C435 HydrophobicContact CE1-CB 3.64Å; F403-C435 HydrophobicContact CE2-CB 4.37Å; F403-C435 HydrophobicContact CG-CB 3.71Å; F403-C435 HydrophobicContact CZ-CB 4.11Å; F403-I436 HydrophobicContact CB-CD1 4.15Å; F403-I436 HydrophobicContact CB-CG1 3.5Å; F403-I436 VanDerWaalsContact CB-CG1 3.5Å; F403-I436 WeakPolarHBondContact O-CD1 3.27Å |
| 404 | S | 95 | Very high | 95.5 | Very high | 53 Ų | 53 | 37.6 Ų | 37.6 | 37% | 0.371 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.8 | -43.4 | 176.5 | -58.9 | 0 | 0 | 0 | 0 | 112.5 | A406 L407 D408 Q442 | S404-A406 VanDerWaalsContact C-N 3.34Å; S404-A406 PolarHBondContact O-N 2.89Å; S404-L407 PolarHBondContact O-N 3Å; S404-D408 WeakPolarHBondContact O-CB 3.42Å; S404-D408 PolarHBondContact O-N 3.45Å; S404-Q442 PolarHBondContact OG-OE1 2.96Å |
| 405 | D | 95.9 | Very high | 95.4 | Very high | 23 Ų | 23 | 39 Ų | 39 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.7 | -38.8 | 174.5 | -60.9 | -63.8 | 0 | 0 | 0 | 111.6 | I354 R358 R402 F403 L409 | I354-D405 HydrophobicContact CD1-CB 4.1Å; I354-D405 HydrophobicContact CG2-CB 4.25Å; R358-D405 IonicContact CZ-OD1 2.9Å; R358-D405 VanDerWaalsContact CZ-OD1 3.29Å; R358-D405 IonicContact NH1-OD1 2.79Å; R358-D405 PolarHBondContact NH1-OD1 3.44Å; R358-D405 VanDerWaalsContact NH1-OD1 3.09Å; R358-D405 IonicContact NH2-OD1 3.53Å; R358-D405 PolarHBondContact NH2-OD1 3.44Å; R402-D405 HydrophobicContact CB-CB 4.37Å; R402-D405 IonicContact CZ-OD2 3.25Å; R402-D405 IonicContact NE-OD2 2.72Å; R402-D405 PolarHBondContact NE-OD2 2.82Å; R402-D405 IonicContact NH2-OD1 3.35Å; R402-D405 IonicContact NH2-OD2 3.22Å; R402-D405 PolarHBondContact NH2-OD2 3.4Å; R402-D405 PolarHBondContact O-N 3.44Å; F403-D405 VanDerWaalsContact C-N 3.35Å; F403-D405 PolarHBondContact O-N 3.35Å; D405-L409 WeakPolarHBondContact O-CB 3.5Å; D405-L409 WeakPolarHBondContact O-CG 3.41Å; D405-L409 PolarHBondContact O-N 3.4Å |
| 406 | A | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.5 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I394 C397 L398 R402 F403 S404 S410 S432 | I394-A406 HydrophobicContact CG2-CB 4.26Å; C397-A406 HydrophobicContact CB-CB 3.71Å; L398-A406 HydrophobicContact CD2-CB 3.64Å; L398-A406 HydrophobicContact CG-CB 3.75Å; R402-A406 PolarHBondContact O-N 3.32Å; R402-A406 VanDerWaalsContact O-N 3.08Å; F403-A406 CarbonylContact O-C 3.51Å; F403-A406 WeakPolarHBondContact O-CA 3.02Å; F403-A406 WeakPolarHBondContact O-CB 3.26Å; F403-A406 PolarHBondContact O-N 3.4Å; F403-A406 VanDerWaalsContact O-N 3.08Å; S404-A406 VanDerWaalsContact C-N 3.34Å; S404-A406 PolarHBondContact O-N 2.89Å; A406-S410 VanDerWaalsContact O-CB 3.27Å; A406-S410 WeakPolarHBondContact O-CB 3.4Å; A406-S410 PolarHBondContact O-N 3.32Å; A406-S410 PolarHBondContact O-OG 3.26Å; A406-S432 PolarHBondContact O-OG 3.27Å |
| 407 | L | 97 | Very high | 95 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.1 | -54.3 | 177.6 | -178.2 | 79.2 | 0 | 0 | 0 | 110.9 | F403 S404 L409 S410 F411 L429 I433 I436 Q442 V443 | F403-L407 PolarHBondContact O-N 3.31Å; S404-L407 PolarHBondContact O-N 3Å; L407-L409 PolarHBondContact O-N 3.3Å; L407-S410 PolarHBondContact O-N 3.05Å; L407-S410 VanDerWaalsContact O-N 3.1Å; L407-F411 HydrophobicContact CD1-CD2 4.04Å; L407-F411 HydrophobicContact CD1-CE2 3.58Å; L407-F411 HydrophobicContact CD2-CE2 4.26Å; L407-F411 HydrophobicContact CG-CD2 3.85Å; L407-F411 HydrophobicContact CG-CE2 3.77Å; L407-F411 WeakPolarHBondContact O-CD2 3.02Å; L407-F411 PolarHBondContact O-N 2.97Å; L407-L429 HydrophobicContact CD1-CD1 4.28Å; L407-I433 HydrophobicContact CD1-CG1 3.65Å; L407-I436 HydrophobicContact CB-CD1 3.4Å; L407-I436 VanDerWaalsContact CB-CD1 3.4Å; L407-I436 HydrophobicContact CD1-CD1 4.18Å; L407-I436 HydrophobicContact CD2-CD1 3.56Å; L407-I436 HydrophobicContact CG-CD1 3.87Å; L407-Q442 HydrophobicContact CD2-CB 4.28Å; L407-V443 HydrophobicContact CD1-CG2 4.06Å; L407-V443 HydrophobicContact CD2-CB 4.49Å; L407-V443 HydrophobicContact CD2-CG2 3.72Å |
| 408 | D | 96.1 | Very high | 94.7 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 29% | 0.294 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -53.8 | -53.4 | 179.5 | -178.7 | 34.9 | 0 | 0 | 0 | 111 | R358 S404 S410 F411 L412 | R358-D408 IonicContact CZ-OD2 3.29Å; R358-D408 IonicContact NE-OD2 3.11Å; R358-D408 PolarHBondContact NE-OD2 2.57Å; R358-D408 IonicContact NH2-OD2 2.69Å; R358-D408 PolarHBondContact NH2-OD2 3.3Å; S404-D408 WeakPolarHBondContact O-CB 3.42Å; S404-D408 PolarHBondContact O-N 3.45Å; D408-S410 VanDerWaalsContact C-N 3.31Å; D408-S410 PolarHBondContact O-N 3.44Å; D408-F411 PolarHBondContact O-N 3.19Å; D408-L412 WeakPolarHBondContact O-CG 3.4Å; D408-L412 PolarHBondContact O-N 2.99Å |
| 409 | L | 96.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.2 | -32.3 | 177.7 | -66.8 | -178.7 | 0 | 0 | 0 | 113.6 | I354 S357 R358 L361 T393 I394 D405 L407 L412 L413 | I354-L409 HydrophobicContact CG1-CD1 4.2Å; I354-L409 HydrophobicContact CG2-CD1 4.38Å; S357-L409 VanDerWaalsContact CB-CD2 3.48Å; R358-L409 HydrophobicContact CG-CD2 3.9Å; L361-L409 HydrophobicContact CD1-CD2 4.26Å; T393-L409 HydrophobicContact CG2-CD1 3.78Å; I394-L409 HydrophobicContact CD1-CB 4.21Å; I394-L409 HydrophobicContact CG1-CB 3.66Å; I394-L409 HydrophobicContact CG1-CD1 4.4Å; D405-L409 WeakPolarHBondContact O-CB 3.5Å; D405-L409 WeakPolarHBondContact O-CG 3.41Å; D405-L409 PolarHBondContact O-N 3.4Å; L407-L409 PolarHBondContact O-N 3.3Å; L409-L412 HydrophobicContact CD2-CD1 4.43Å; L409-L413 VanDerWaalsContact O-CB 3.27Å; L409-L413 WeakPolarHBondContact O-CB 3.3Å; L409-L413 PolarHBondContact O-N 2.88Å |
| 410 | S | 96.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.7 | -39.9 | 177.1 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | I394 A406 L407 D408 L414 S432 | I394-S410 WeakPolarHBondContact CG2-OG 2.99Å; A406-S410 VanDerWaalsContact O-CB 3.27Å; A406-S410 WeakPolarHBondContact O-CB 3.4Å; A406-S410 PolarHBondContact O-N 3.32Å; A406-S410 PolarHBondContact O-OG 3.26Å; L407-S410 PolarHBondContact O-N 3.05Å; L407-S410 VanDerWaalsContact O-N 3.1Å; D408-S410 VanDerWaalsContact C-N 3.31Å; D408-S410 PolarHBondContact O-N 3.44Å; S410-L414 PolarHBondContact O-N 3.18Å; S410-S432 PolarHBondContact OG-OG 3.45Å |
| 411 | F | 96.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.3 | -53.1 | 172.7 | -84.3 | -66.4 | 0 | 0 | 0 | 110.6 | L407 D408 L413 L414 D415 L429 A446 W454 | L407-F411 HydrophobicContact CD1-CD2 4.04Å; L407-F411 HydrophobicContact CD1-CE2 3.58Å; L407-F411 HydrophobicContact CD2-CE2 4.26Å; L407-F411 HydrophobicContact CG-CD2 3.85Å; L407-F411 HydrophobicContact CG-CE2 3.77Å; L407-F411 WeakPolarHBondContact O-CD2 3.02Å; L407-F411 PolarHBondContact O-N 2.97Å; D408-F411 PolarHBondContact O-N 3.19Å; F411-L413 PolarHBondContact O-N 2.6Å; F411-L414 CarbonylContact O-C 3.24Å; F411-L414 WeakPolarHBondContact O-CA 3.36Å; F411-L414 PolarHBondContact O-N 2.94Å; F411-D415 VanDerWaalsContact O-CG 3.25Å; F411-D415 PolarHBondContact O-N 3.48Å; F411-L429 HydrophobicContact CD1-CD1 4.1Å; F411-L429 HydrophobicContact CD1-CD2 4.44Å; F411-L429 HydrophobicContact CD2-CD1 3.9Å; F411-L429 HydrophobicContact CE1-CD1 3.99Å; F411-L429 HydrophobicContact CE1-CD2 4.19Å; F411-L429 HydrophobicContact CE2-CD1 3.8Å; F411-L429 HydrophobicContact CG-CD1 4.05Å; F411-L429 HydrophobicContact CZ-CD1 3.85Å; F411-A446 HydrophobicContact CD2-CB 3.61Å; F411-A446 HydrophobicContact CE2-CB 3.43Å; F411-A446 VanDerWaalsContact CE2-CB 3.43Å; F411-A446 HydrophobicContact CG-CB 4.25Å; F411-A446 HydrophobicContact CZ-CB 3.96Å; F411-W454 AromaticContact CD1-CH2 3.43Å; F411-W454 HydrophobicContact CD1-CH2 3.43Å; F411-W454 VanDerWaalsContact CD1-CH2 3.43Å; F411-W454 AromaticContact CD1-CZ2 3.88Å; F411-W454 HydrophobicContact CD1-CZ2 3.88Å; F411-W454 HydrophobicContact CD1-CZ3 4.15Å; F411-W454 AromaticContact CE1-CH2 3.84Å; F411-W454 HydrophobicContact CE1-CH2 3.84Å; F411-W454 HydrophobicContact CE1-CZ3 4.09Å |
| 412 | L | 95.7 | Very high | 93.9 | Very high | 30 Ų | 30 | 23.9 Ų | 23.9 | 16% | 0.157 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.4 | -37.9 | 179.2 | -71.4 | 172 | 0 | 0 | 0 | 113.1 | R358 L361 D408 L409 D415 | R358-L412 HydrophobicContact CG-CD1 4.43Å; L361-L412 HydrophobicContact CB-CB 3.87Å; L361-L412 HydrophobicContact CD1-CB 4.04Å; D408-L412 WeakPolarHBondContact O-CG 3.4Å; D408-L412 PolarHBondContact O-N 2.99Å; L409-L412 HydrophobicContact CD2-CD1 4.43Å; L412-D415 WeakPolarHBondContact O-CB 3.17Å; L412-D415 PolarHBondContact O-N 3.18Å |
| 413 | L | 95 | Very high | 93.7 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.7 | -44.9 | 174.7 | -176.2 | 69.4 | 0 | 0 | 0 | 111.8 | L361 H390 L391 I394 L409 F411 D415 W419 P425 | L361-L413 HydrophobicContact CD1-CB 4.33Å; L361-L413 HydrophobicContact CD2-CB 4.48Å; L361-L413 HydrophobicContact CD2-CD1 3.77Å; H390-L413 HydrophobicContact CB-CD1 4.39Å; L391-L413 HydrophobicContact CD2-CD2 3.51Å; L391-L413 HydrophobicContact CG-CD2 4.26Å; I394-L413 HydrophobicContact CD1-CD2 4.03Å; L409-L413 VanDerWaalsContact O-CB 3.27Å; L409-L413 WeakPolarHBondContact O-CB 3.3Å; L409-L413 PolarHBondContact O-N 2.88Å; F411-L413 PolarHBondContact O-N 2.6Å; L413-D415 PolarHBondContact O-N 2.82Å; L413-W419 HydrophobicContact CD1-CD2 3.89Å; L413-W419 HydrophobicContact CD1-CE3 4.44Å; L413-W419 HydrophobicContact CD1-CG 4.34Å; L413-W419 HydrophobicContact CD1-CH2 4.31Å; L413-W419 HydrophobicContact CD1-CZ2 3.79Å; L413-W419 HydrophobicContact CD2-CE3 4.46Å; L413-W419 HydrophobicContact CG-CD2 4.02Å; L413-W419 HydrophobicContact CG-CE3 4.45Å; L413-W419 HydrophobicContact CG-CG 4.21Å; L413-P425 HydrophobicContact CD2-CB 4.07Å; L413-P425 HydrophobicContact CD2-CG 4.18Å |
| 414 | L | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -78.6 | 1.4 | 177.7 | -78.2 | 166.4 | 0 | 0 | 0 | 113.2 | S410 F411 H416 W419 P425 W426 L429 W454 H458 | S410-L414 PolarHBondContact O-N 3.18Å; F411-L414 CarbonylContact O-C 3.24Å; F411-L414 WeakPolarHBondContact O-CA 3.36Å; F411-L414 PolarHBondContact O-N 2.94Å; L414-H416 PolarHBondContact O-N 3.45Å; L414-W419 HydrophobicContact CD2-CB 4.1Å; L414-P425 HydrophobicContact CD1-CB 4.29Å; L414-P425 HydrophobicContact CD2-CB 3.77Å; L414-P425 HydrophobicContact CG-CB 3.9Å; L414-W426 HydrophobicContact CD1-CD2 4.05Å; L414-W426 HydrophobicContact CD1-CE3 3.73Å; L414-W426 HydrophobicContact CD1-CH2 4.43Å; L414-W426 HydrophobicContact CD1-CZ3 3.93Å; L414-W426 HydrophobicContact CD2-CD2 3.98Å; L414-W426 HydrophobicContact CD2-CE3 4.34Å; L414-W426 HydrophobicContact CD2-CH2 4.13Å; L414-W426 HydrophobicContact CD2-CZ2 3.77Å; L414-W426 HydrophobicContact CD2-CZ3 4.4Å; L414-L429 HydrophobicContact CD1-CB 3.99Å; L414-L429 HydrophobicContact CD1-CD2 3.62Å; L414-L429 HydrophobicContact CD1-CG 4.4Å; L414-W454 HydrophobicContact CB-CH2 3.56Å; L414-W454 HydrophobicContact CB-CZ2 3.56Å; L414-W454 HydrophobicContact CD1-CH2 4.04Å; L414-W454 HydrophobicContact CG-CH2 4.44Å; L414-H458 PolarHBondContact O-CE1 3.12Å; L414-H458 PolarHBondContact O-NE2 3.3Å |
| 415 | D | 94.3 | Very high | 93.6 | Very high | 30 Ų | 30 | 19.7 Ų | 19.7 | 16% | 0.16 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -23.9 | 174.2 | -70.3 | -10.7 | 0 | 0 | 0 | 111.1 | P362 F411 L412 L413 R450 Y453 W454 | P362-D415 HydrophobicContact CB-CB 4.04Å; P362-D415 HydrophobicContact CG-CB 4.45Å; F411-D415 VanDerWaalsContact O-CG 3.25Å; F411-D415 PolarHBondContact O-N 3.48Å; L412-D415 WeakPolarHBondContact O-CB 3.17Å; L412-D415 PolarHBondContact O-N 3.18Å; L413-D415 PolarHBondContact O-N 2.82Å; D415-R450 VanDerWaalsContact CG-NE 3.33Å; D415-R450 VanDerWaalsContact OD1-CD 3.3Å; D415-R450 WeakPolarHBondContact OD1-CD 3.35Å; D415-R450 IonicContact OD1-CZ 3.54Å; D415-R450 IonicContact OD1-NE 3.36Å; D415-R450 PolarHBondContact OD1-NE 3.21Å; D415-R450 IonicContact OD1-NH2 2.85Å; D415-R450 IonicContact OD2-CZ 3.61Å; D415-R450 IonicContact OD2-NE 3.46Å; D415-R450 PolarHBondContact OD2-NE 2.88Å; D415-R450 IonicContact OD2-NH2 3.59Å; D415-R450 PolarHBondContact OD2-NH2 3.22Å; D415-Y453 PolarHBondContact OD1-OH 2.63Å; D415-W454 WeakPolarHBondContact OD1-CZ2 3.29Å |
| 416 | H | 91.8 | Very high | 93.5 | Very high | 53 Ų | 53 | 18.6 Ų | 18.6 | 25% | 0.245 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -87.3 | 122.4 | 171 | -163.7 | -75.2 | 0 | 0 | 0 | 111.6 | P362 L414 S418 W419 | P362-H416 HydrophobicContact CB-CB 4.08Å; L414-H416 PolarHBondContact O-N 3.45Å; H416-S418 PolarHBondContact CE1-OG 3.04Å; H416-S418 WeakPolarHBondContact ND1-CB 3.03Å; H416-S418 PolarHBondContact ND1-N 3.42Å; H416-S418 PolarHBondContact ND1-OG 3.5Å; H416-S418 PolarHBondContact O-N 2.83Å; H416-S418 VanDerWaalsContact O-N 3.1Å; H416-W419 PolarHBondContact O-N 3.06Å; H416-W419 VanDerWaalsContact O-N 3.1Å |
| 417 | P | 89.9 | Confident | 93.4 | Very high | 37 Ų | 37 | 20.2 Ų | 20.2 | 24% | 0.24 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -62.3 | -25 | -170.4 | 23.8 | -34.4 | 0 | 0 | 0 | 115.1 | W419 A420 H458 | P417-W419 PolarHBondContact O-N 3.45Å; P417-W419 VanDerWaalsContact O-N 3.14Å; P417-A420 WeakPolarHBondContact O-CB 3.27Å; P417-A420 PolarHBondContact O-N 2.96Å; P417-A420 VanDerWaalsContact O-N 3.08Å; P417-H458 WeakPolarHBondContact CA-NE2 3.33Å |
| 418 | S | 89.6 | Confident | 93.4 | Very high | 38 Ų | 38 | 20.1 Ų | 20.1 | 27% | 0.266 | 11% | 0.114 | S | C | . | . | G | 310 helix | trans | -60.3 | -22 | 176.2 | 65 | 0 | 0 | 0 | 0 | 113.7 | A365 H416 A420 | A365-S418 VanDerWaalsContact CB-OG 3.3Å; A365-S418 WeakPolarHBondContact CB-OG 3.28Å; A365-S418 PolarHBondContact N-OG 3.38Å; H416-S418 PolarHBondContact CE1-OG 3.04Å; H416-S418 WeakPolarHBondContact ND1-CB 3.03Å; H416-S418 PolarHBondContact ND1-N 3.42Å; H416-S418 PolarHBondContact ND1-OG 3.5Å; H416-S418 PolarHBondContact O-N 2.83Å; H416-S418 VanDerWaalsContact O-N 3.1Å; S418-A420 VanDerWaalsContact C-N 3.31Å |
| 419 | W | 91.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -77.8 | -17.5 | 177.9 | -72.9 | 99.3 | 0 | 0 | 0 | 113.5 | E363 A365 L384 H388 L391 L413 L414 H416 P417 V421 Y422 P425 | E363-W419 PolarHBondContact O-NE1 3.2Å; A365-W419 VanDerWaalsContact CA-CZ2 3.45Å; A365-W419 HydrophobicContact CB-CD2 3.68Å; A365-W419 HydrophobicContact CB-CE3 4.04Å; A365-W419 HydrophobicContact CB-CG 4.07Å; A365-W419 HydrophobicContact CB-CH2 4.23Å; A365-W419 HydrophobicContact CB-CZ2 3.82Å; A365-W419 HydrophobicContact CB-CZ3 4.34Å; L384-W419 HydrophobicContact CD2-CZ3 4.25Å; H388-W419 HydrophobicContact CB-CH2 4.17Å; H388-W419 AromaticContact CD2-CH2 3.52Å; H388-W419 AromaticContact CD2-CZ2 3.54Å; H388-W419 AromaticContact CE1-CH2 3.56Å; H388-W419 AromaticContact CE1-CZ2 3.27Å; H388-W419 WeakPolarHBondContact CE1-CZ2 3.4Å; H388-W419 AromaticContact CG-CH2 3.52Å; H388-W419 AromaticContact CG-CZ2 3.93Å; H388-W419 AromaticContact ND1-CH2 3.59Å; H388-W419 AromaticContact ND1-CZ2 3.81Å; H388-W419 AromaticContact NE2-CH2 3.51Å; H388-W419 AromaticContact NE2-CZ2 3.06Å; H388-W419 WeakPolarHBondContact NE2-CZ2 2.99Å; L391-W419 HydrophobicContact CD1-CZ3 4.2Å; L413-W419 HydrophobicContact CD1-CD2 3.89Å; L413-W419 HydrophobicContact CD1-CE3 4.44Å; L413-W419 HydrophobicContact CD1-CG 4.34Å; L413-W419 HydrophobicContact CD1-CH2 4.31Å; L413-W419 HydrophobicContact CD1-CZ2 3.79Å; L413-W419 HydrophobicContact CD2-CE3 4.46Å; L413-W419 HydrophobicContact CG-CD2 4.02Å; L413-W419 HydrophobicContact CG-CE3 4.45Å; L413-W419 HydrophobicContact CG-CG 4.21Å; L414-W419 HydrophobicContact CD2-CB 4.1Å; H416-W419 PolarHBondContact O-N 3.06Å; H416-W419 VanDerWaalsContact O-N 3.1Å; P417-W419 PolarHBondContact O-N 3.45Å; P417-W419 VanDerWaalsContact O-N 3.14Å; W419-V421 PolarHBondContact O-N 3.46Å; W419-V421 VanDerWaalsContact O-N 3.15Å; W419-Y422 HydrophobicContact CE3-CD2 4.12Å; W419-Y422 PolarHBondContact O-N 3.22Å; W419-Y422 VanDerWaalsContact O-N 3.12Å; W419-P425 HydrophobicContact CB-CG 4.38Å; W419-P425 HydrophobicContact CD2-CG 4.36Å; W419-P425 HydrophobicContact CE3-CG 3.55Å; W419-P425 HydrophobicContact CZ3-CG 4.27Å |
| 420 | A | 91.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -31 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P417 S418 Y422 W426 H458 L461 L464 P465 | P417-A420 WeakPolarHBondContact O-CB 3.27Å; P417-A420 PolarHBondContact O-N 2.96Å; P417-A420 VanDerWaalsContact O-N 3.08Å; S418-A420 VanDerWaalsContact C-N 3.31Å; A420-Y422 VanDerWaalsContact C-N 3.32Å; A420-Y422 PolarHBondContact O-N 3.35Å; A420-W426 HydrophobicContact CB-CZ2 4.27Å; A420-W426 PolarHBondContact O-NE1 3.39Å; A420-H458 HydrophobicContact CB-CB 4.48Å; A420-H458 VanDerWaalsContact CB-CD2 3.49Å; A420-H458 WeakPolarHBondContact CB-CD2 3.3Å; A420-L461 HydrophobicContact CB-CD1 3.47Å; A420-L461 VanDerWaalsContact CB-CD1 3.47Å; A420-L464 HydrophobicContact CB-CD1 4.3Å; A420-P465 VanDerWaalsContact O-CD 3.32Å; A420-P465 WeakPolarHBondContact O-CD 3.3Å |
| 421 | V | 87.6 | Confident | 93.4 | Very high | 55 Ų | 55 | 25.4 Ų | 25.4 | 33% | 0.333 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -13.5 | -176.9 | -59.9 | 0 | 0 | 0 | 0 | 113.5 | W419 P465 | W419-V421 PolarHBondContact O-N 3.46Å; W419-V421 VanDerWaalsContact O-N 3.15Å; V421-P465 WeakPolarHBondContact O-CG 3.27Å |
| 422 | Y | 88.9 | Confident | 93.4 | Very high | 9 Ų | 9 | 25.4 Ų | 25.4 | 4% | 0.035 | 13% | 0.131 | C | C | . | . | trans | -96.6 | 135.6 | -177.6 | -63.3 | -73.2 | 0 | 0 | 0 | 111.9 | A365 P366 L368 Y372 V380 L384 W419 A420 E424 P425 | A365-Y422 HydrophobicContact CB-CD2 4.22Å; A365-Y422 HydrophobicContact CB-CE2 3.6Å; P366-Y422 PolarHBondContact O-OH 3.01Å; P366-Y422 VanDerWaalsContact O-OH 3.12Å; L368-Y422 HydrophobicContact CD2-CE1 3.8Å; L368-Y422 WeakPolarHBondContact CD2-OH 3.21Å; Y372-Y422 HydrophobicContact CE2-CD1 4.37Å; Y372-Y422 AromaticContact CE2-CE1 3.78Å; Y372-Y422 HydrophobicContact CE2-CE1 3.78Å; V380-Y422 HydrophobicContact CG1-CD1 4.32Å; L384-Y422 HydrophobicContact CD1-CD1 3.64Å; L384-Y422 HydrophobicContact CD1-CE1 4.24Å; L384-Y422 HydrophobicContact CD1-CG 3.94Å; L384-Y422 HydrophobicContact CD2-CD1 4.27Å; L384-Y422 HydrophobicContact CD2-CE1 4.1Å; L384-Y422 HydrophobicContact CG-CD1 4.46Å; W419-Y422 HydrophobicContact CE3-CD2 4.12Å; W419-Y422 PolarHBondContact O-N 3.22Å; W419-Y422 VanDerWaalsContact O-N 3.12Å; A420-Y422 VanDerWaalsContact C-N 3.32Å; A420-Y422 PolarHBondContact O-N 3.35Å; Y422-E424 PolarHBondContact O-N 2.86Å; Y422-P425 WeakPolarHBondContact O-CD 3.26Å | ||
| 423 | C | 91 | Very high | 93.4 | Very high | 65 Ų | 65 | 24 Ų | 24 | 44% | 0.439 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -67.7 | -32.2 | 179.9 | -69.1 | 0 | 0 | 0 | 0 | 113.9 | R427 I467 | C423-R427 PolarHBondContact O-N 2.94Å; C423-R427 VanDerWaalsContact O-N 3.1Å; C423-I467 HydrophobicContact CB-CG2 4Å |
| 424 | E | 92.8 | Very high | 93.3 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.4 | -46.9 | -168.5 | -176.4 | 66.9 | -177.7 | 0 | 0 | 114 | R385 L391 Y422 W426 R427 L428 | R385-E424 IonicContact CZ-OE1 3.82Å; R385-E424 VanDerWaalsContact CZ-OE1 3.25Å; R385-E424 IonicContact NE-OE1 3Å; R385-E424 PolarHBondContact NE-OE1 3.06Å; R385-E424 IonicContact NH2-OE1 3.08Å; R385-E424 PolarHBondContact NH2-OE1 3.09Å; L391-E424 HydrophobicContact CD1-CG 4.44Å; L391-E424 HydrophobicContact CD2-CG 4.27Å; Y422-E424 PolarHBondContact O-N 2.86Å; E424-W426 VanDerWaalsContact C-N 3.34Å; E424-W426 PolarHBondContact O-N 3.49Å; E424-R427 WeakPolarHBondContact O-CB 3.5Å; E424-R427 PolarHBondContact O-N 2.82Å; E424-R427 VanDerWaalsContact O-N 3.14Å; E424-R427 IonicContact OE1-CZ 3.26Å; E424-R427 IonicContact OE1-NH2 2.82Å; E424-R427 PolarHBondContact OE1-NH2 3.05Å; E424-R427 IonicContact OE2-CZ 2.81Å; E424-R427 IonicContact OE2-NE 3.61Å; E424-R427 PolarHBondContact OE2-NE 3.36Å; E424-R427 IonicContact OE2-NH2 2.68Å; E424-R427 PolarHBondContact OE2-NH2 3.02Å; E424-L428 HydrophobicContact CG-CD1 4.34Å; E424-L428 WeakPolarHBondContact O-CG 3.34Å; E424-L428 PolarHBondContact O-N 3.13Å |
| 425 | P | 94.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.3 | -46.9 | 174.8 | -25.6 | 32.7 | 0 | 0 | 0 | 113.1 | L391 L413 L414 W419 Y422 R427 L428 L429 | L391-P425 HydrophobicContact CD2-CG 4.4Å; L413-P425 HydrophobicContact CD2-CB 4.07Å; L413-P425 HydrophobicContact CD2-CG 4.18Å; L414-P425 HydrophobicContact CD1-CB 4.29Å; L414-P425 HydrophobicContact CD2-CB 3.77Å; L414-P425 HydrophobicContact CG-CB 3.9Å; W419-P425 HydrophobicContact CB-CG 4.38Å; W419-P425 HydrophobicContact CD2-CG 4.36Å; W419-P425 HydrophobicContact CE3-CG 3.55Å; W419-P425 HydrophobicContact CZ3-CG 4.27Å; Y422-P425 WeakPolarHBondContact O-CD 3.26Å; P425-R427 VanDerWaalsContact C-N 3.31Å; P425-R427 PolarHBondContact O-N 3.15Å; P425-L428 PolarHBondContact O-N 3.17Å; P425-L428 VanDerWaalsContact O-N 3.17Å; P425-L429 PolarHBondContact O-N 2.79Å |
| 426 | W | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.1 | -37.8 | 177.4 | -63.3 | 110.6 | 0 | 0 | 0 | 112.7 | L414 A420 E424 L428 L429 R430 W454 F459 I467 A468 M471 | L414-W426 HydrophobicContact CD1-CD2 4.05Å; L414-W426 HydrophobicContact CD1-CE3 3.73Å; L414-W426 HydrophobicContact CD1-CH2 4.43Å; L414-W426 HydrophobicContact CD1-CZ3 3.93Å; L414-W426 HydrophobicContact CD2-CD2 3.98Å; L414-W426 HydrophobicContact CD2-CE3 4.34Å; L414-W426 HydrophobicContact CD2-CH2 4.13Å; L414-W426 HydrophobicContact CD2-CZ2 3.77Å; L414-W426 HydrophobicContact CD2-CZ3 4.4Å; A420-W426 HydrophobicContact CB-CZ2 4.27Å; A420-W426 PolarHBondContact O-NE1 3.39Å; E424-W426 VanDerWaalsContact C-N 3.34Å; E424-W426 PolarHBondContact O-N 3.49Å; W426-L428 VanDerWaalsContact C-N 3.34Å; W426-L429 HydrophobicContact CE3-CD2 4.27Å; W426-L429 HydrophobicContact CZ3-CD2 4.33Å; W426-L429 PolarHBondContact O-N 2.67Å; W426-R430 WeakPolarHBondContact O-CB 3.28Å; W426-R430 PolarHBondContact O-N 3.11Å; W426-W454 HydrophobicContact CH2-CE3 4.17Å; W426-W454 HydrophobicContact CH2-CZ3 4.09Å; W426-W454 HydrophobicContact CZ3-CE3 4.18Å; W426-W454 HydrophobicContact CZ3-CH2 4.48Å; W426-W454 AromaticContact CZ3-CZ3 3.74Å; W426-W454 HydrophobicContact CZ3-CZ3 3.74Å; W426-F459 AromaticContact CH2-CE1 3.71Å; W426-F459 HydrophobicContact CH2-CE1 3.71Å; W426-F459 AromaticContact CH2-CZ 3.98Å; W426-F459 HydrophobicContact CH2-CZ 3.98Å; W426-F459 HydrophobicContact CZ2-CE1 4.41Å; W426-F459 HydrophobicContact CZ3-CE1 4.1Å; W426-F459 HydrophobicContact CZ3-CZ 4.14Å; W426-I467 HydrophobicContact CB-CG1 4.17Å; W426-I467 HydrophobicContact CB-CG2 3.91Å; W426-I467 HydrophobicContact CG-CG2 4.47Å; W426-A468 HydrophobicContact CD2-CB 3.72Å; W426-A468 VanDerWaalsContact CE2-CB 3.48Å; W426-A468 HydrophobicContact CE3-CB 4.49Å; W426-A468 HydrophobicContact CG-CB 3.76Å; W426-A468 HydrophobicContact CZ2-CB 4.07Å; W426-M471 HydrophobicContact CB-CG 4.33Å; W426-M471 HydrophobicContact CE3-CB 3.89Å; W426-M471 HydrophobicContact CE3-CG 4.12Å; W426-M471 HydrophobicContact CZ3-CB 4.34Å |
| 427 | R | 95.2 | Very high | 93.2 | Very high | 35 Ų | 35 | 30 Ų | 30 | 13% | 0.132 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 176.2 | -163.9 | 173 | 65.1 | 115.2 | 10.5 | 111.8 | D320 C423 E424 P425 K431 I467 | D320-R427 IonicContact OD1-NH1 3.42Å; D320-R427 PolarHBondContact OD1-NH1 3.05Å; D320-R427 IonicContact OD2-NH1 3.59Å; C423-R427 PolarHBondContact O-N 2.94Å; C423-R427 VanDerWaalsContact O-N 3.1Å; E424-R427 WeakPolarHBondContact O-CB 3.5Å; E424-R427 PolarHBondContact O-N 2.82Å; E424-R427 VanDerWaalsContact O-N 3.14Å; E424-R427 IonicContact OE1-CZ 3.26Å; E424-R427 IonicContact OE1-NH2 2.82Å; E424-R427 PolarHBondContact OE1-NH2 3.05Å; E424-R427 IonicContact OE2-CZ 2.81Å; E424-R427 IonicContact OE2-NE 3.61Å; E424-R427 PolarHBondContact OE2-NE 3.36Å; E424-R427 IonicContact OE2-NH2 2.68Å; E424-R427 PolarHBondContact OE2-NH2 3.02Å; P425-R427 VanDerWaalsContact C-N 3.31Å; P425-R427 PolarHBondContact O-N 3.15Å; R427-K431 WeakPolarHBondContact O-CG 3.49Å; R427-K431 PolarHBondContact O-N 3.17Å; R427-K431 VanDerWaalsContact O-N 3.1Å; R427-I467 HydrophobicContact CB-CD1 3.59Å; R427-I467 HydrophobicContact CG-CD1 3.94Å |
| 428 | L | 96 | Very high | 93.2 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68 | -45.1 | 176.4 | -65.5 | 175.9 | 0 | 0 | 0 | 111.1 | L391 I394 I395 L398 E424 P425 W426 R430 K431 S432 | L391-L428 HydrophobicContact CD2-CD1 3.5Å; I394-L428 HydrophobicContact CB-CD1 4.15Å; I394-L428 HydrophobicContact CD1-CD1 4.33Å; I394-L428 HydrophobicContact CG2-CB 3.91Å; I394-L428 HydrophobicContact CG2-CD1 3.99Å; I394-L428 HydrophobicContact CG2-CD2 4.37Å; I394-L428 HydrophobicContact CG2-CG 4.31Å; I395-L428 HydrophobicContact CD1-CD2 4.44Å; I395-L428 HydrophobicContact CG1-CD1 4.35Å; I395-L428 HydrophobicContact CG1-CD2 3.64Å; L398-L428 HydrophobicContact CD1-CD2 4.09Å; E424-L428 HydrophobicContact CG-CD1 4.34Å; E424-L428 WeakPolarHBondContact O-CG 3.34Å; E424-L428 PolarHBondContact O-N 3.13Å; P425-L428 PolarHBondContact O-N 3.17Å; P425-L428 VanDerWaalsContact O-N 3.17Å; W426-L428 VanDerWaalsContact C-N 3.34Å; L428-R430 VanDerWaalsContact C-N 3.35Å; L428-R430 PolarHBondContact O-N 3.21Å; L428-K431 PolarHBondContact O-N 2.78Å; L428-K431 VanDerWaalsContact O-N 3.16Å; L428-S432 PolarHBondContact O-N 3.27Å; L428-S432 PolarHBondContact O-OG 3.21Å |
| 429 | L | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.7 | -48 | 174.2 | 179.7 | 61 | 0 | 0 | 0 | 111.4 | L407 F411 L414 P425 W426 K431 S432 I433 W454 M471 | L407-L429 HydrophobicContact CD1-CD1 4.28Å; F411-L429 HydrophobicContact CD1-CD1 4.1Å; F411-L429 HydrophobicContact CD1-CD2 4.44Å; F411-L429 HydrophobicContact CD2-CD1 3.9Å; F411-L429 HydrophobicContact CE1-CD1 3.99Å; F411-L429 HydrophobicContact CE1-CD2 4.19Å; F411-L429 HydrophobicContact CE2-CD1 3.8Å; F411-L429 HydrophobicContact CG-CD1 4.05Å; F411-L429 HydrophobicContact CZ-CD1 3.85Å; L414-L429 HydrophobicContact CD1-CB 3.99Å; L414-L429 HydrophobicContact CD1-CD2 3.62Å; L414-L429 HydrophobicContact CD1-CG 4.4Å; P425-L429 PolarHBondContact O-N 2.79Å; W426-L429 HydrophobicContact CE3-CD2 4.27Å; W426-L429 HydrophobicContact CZ3-CD2 4.33Å; W426-L429 PolarHBondContact O-N 2.67Å; L429-K431 VanDerWaalsContact C-N 3.31Å; L429-K431 PolarHBondContact O-N 3.07Å; L429-S432 PolarHBondContact O-N 2.97Å; L429-I433 HydrophobicContact CD1-CD1 4.13Å; L429-I433 HydrophobicContact CD1-CG1 4.23Å; L429-I433 HydrophobicContact CG-CD1 4.12Å; L429-I433 WeakPolarHBondContact O-CG1 3.37Å; L429-I433 PolarHBondContact O-N 3.08Å; L429-W454 HydrophobicContact CD2-CH2 3.93Å; L429-W454 HydrophobicContact CD2-CZ3 3.88Å; L429-M471 HydrophobicContact CB-CE 4.39Å; L429-M471 HydrophobicContact CD2-CE 3.76Å; L429-M471 HydrophobicContact CG-CE 3.77Å |
| 430 | R | 96.4 | Very high | 92.9 | Very high | 108 Ų | 108 | 38.9 Ų | 38.9 | 41% | 0.408 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55.4 | -46.7 | 176.5 | -170.3 | 173.2 | 172.4 | -180 | -3.2 | 111.6 | W426 L428 I433 L434 M471 | W426-R430 WeakPolarHBondContact O-CB 3.28Å; W426-R430 PolarHBondContact O-N 3.11Å; L428-R430 VanDerWaalsContact C-N 3.35Å; L428-R430 PolarHBondContact O-N 3.21Å; R430-I433 PolarHBondContact O-N 3.1Å; R430-L434 HydrophobicContact CG-CD1 4.09Å; R430-L434 WeakPolarHBondContact O-CB 3.33Å; R430-L434 VanDerWaalsContact O-CG 3.26Å; R430-L434 WeakPolarHBondContact O-CG 3.42Å; R430-L434 PolarHBondContact O-N 2.97Å; R430-M471 HydrophobicContact CB-CE 4.42Å; R430-M471 HydrophobicContact CB-SD 3.47Å; R430-M471 WeakPolarHBondContact CB-SD 3.26Å; R430-M471 HydrophobicContact CG-SD 3.75Å |
| 431 | K | 95.6 | Very high | 92.9 | Very high | 60 Ų | 60 | 42.8 Ų | 42.8 | 26% | 0.261 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 178.3 | -74.7 | -176.2 | 179.7 | -163.1 | 0 | 111.7 | L398 R427 L428 L429 L434 C435 | L398-K431 HydrophobicContact CD1-CB 4.07Å; R427-K431 WeakPolarHBondContact O-CG 3.49Å; R427-K431 PolarHBondContact O-N 3.17Å; R427-K431 VanDerWaalsContact O-N 3.1Å; L428-K431 PolarHBondContact O-N 2.78Å; L428-K431 VanDerWaalsContact O-N 3.16Å; L429-K431 VanDerWaalsContact C-N 3.31Å; L429-K431 PolarHBondContact O-N 3.07Å; K431-L434 PolarHBondContact O-N 3.21Å; K431-C435 PolarHBondContact O-N 2.99Å; K431-C435 PolarHBondContact O-SG 2.74Å |
| 432 | S | 96.2 | Very high | 93 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60 | -46.7 | 177.2 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | A406 S410 L428 L429 L434 C435 I436 | A406-S432 PolarHBondContact O-OG 3.27Å; S410-S432 PolarHBondContact OG-OG 3.45Å; L428-S432 PolarHBondContact O-N 3.27Å; L428-S432 PolarHBondContact O-OG 3.21Å; L429-S432 PolarHBondContact O-N 2.97Å; S432-L434 PolarHBondContact O-N 3.12Å; S432-C435 PolarHBondContact O-N 3.5Å; S432-I436 WeakPolarHBondContact O-CG1 3.25Å; S432-I436 PolarHBondContact O-N 3.17Å; S432-I436 VanDerWaalsContact O-N 3.12Å |
| 433 | I | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 176.5 | -66.9 | 178.2 | 0 | 0 | 0 | 111.3 | L407 L429 R430 C435 I436 G437 K438 V443 M471 L474 L475 | L407-I433 HydrophobicContact CD1-CG1 3.65Å; L429-I433 HydrophobicContact CD1-CD1 4.13Å; L429-I433 HydrophobicContact CD1-CG1 4.23Å; L429-I433 HydrophobicContact CG-CD1 4.12Å; L429-I433 WeakPolarHBondContact O-CG1 3.37Å; L429-I433 PolarHBondContact O-N 3.08Å; R430-I433 PolarHBondContact O-N 3.1Å; I433-C435 VanDerWaalsContact C-N 3.32Å; I433-C435 PolarHBondContact O-N 3.05Å; I433-I436 PolarHBondContact O-N 2.94Å; I433-G437 CarbonylContact O-C 3.55Å; I433-G437 PolarHBondContact O-N 3.4Å; I433-K438 HydrophobicContact CG2-CG 4.06Å; I433-V443 HydrophobicContact CD1-CG1 4.17Å; I433-V443 HydrophobicContact CG1-CG1 3.99Å; I433-V443 HydrophobicContact CG2-CG1 4.09Å; I433-M471 HydrophobicContact CD1-CE 3.89Å; I433-L474 HydrophobicContact CG2-CD2 4.49Å; I433-L475 HydrophobicContact CD1-CD2 3.91Å |
| 434 | L | 94 | Very high | 93.2 | Very high | 94 Ų | 94 | 41.5 Ų | 41.5 | 49% | 0.492 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.1 | -34.9 | 179.6 | -71.4 | 173.5 | 0 | 0 | 0 | 112.8 | R430 K431 S432 | R430-L434 HydrophobicContact CG-CD1 4.09Å; R430-L434 WeakPolarHBondContact O-CB 3.33Å; R430-L434 VanDerWaalsContact O-CG 3.26Å; R430-L434 WeakPolarHBondContact O-CG 3.42Å; R430-L434 PolarHBondContact O-N 2.97Å; K431-L434 PolarHBondContact O-N 3.21Å; S432-L434 PolarHBondContact O-N 3.12Å |
| 435 | C | 93.9 | Very high | 93.2 | Very high | 61 Ų | 61 | 50.1 Ų | 50.1 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -74.2 | -32.3 | 178.7 | -64.5 | 0 | 0 | 0 | 0 | 113.1 | F403 K431 S432 I433 | F403-C435 HydrophobicContact CB-CB 4.24Å; F403-C435 HydrophobicContact CD1-CB 3.42Å; F403-C435 VanDerWaalsContact CD1-CB 3.42Å; F403-C435 HydrophobicContact CD2-CB 4.18Å; F403-C435 HydrophobicContact CE1-CB 3.64Å; F403-C435 HydrophobicContact CE2-CB 4.37Å; F403-C435 HydrophobicContact CG-CB 3.71Å; F403-C435 HydrophobicContact CZ-CB 4.11Å; K431-C435 PolarHBondContact O-N 2.99Å; K431-C435 PolarHBondContact O-SG 2.74Å; S432-C435 PolarHBondContact O-N 3.5Å; I433-C435 VanDerWaalsContact C-N 3.32Å; I433-C435 PolarHBondContact O-N 3.05Å |
| 436 | I | 92.7 | Very high | 93.1 | Very high | 31 Ų | 31 | 50.9 Ų | 50.9 | 16% | 0.159 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -84 | -34.3 | 178.9 | -66.4 | 175.3 | 0 | 0 | 0 | 111.8 | F403 L407 S432 I433 N440 V443 | F403-I436 HydrophobicContact CB-CD1 4.15Å; F403-I436 HydrophobicContact CB-CG1 3.5Å; F403-I436 VanDerWaalsContact CB-CG1 3.5Å; F403-I436 WeakPolarHBondContact O-CD1 3.27Å; L407-I436 HydrophobicContact CB-CD1 3.4Å; L407-I436 VanDerWaalsContact CB-CD1 3.4Å; L407-I436 HydrophobicContact CD1-CD1 4.18Å; L407-I436 HydrophobicContact CD2-CD1 3.56Å; L407-I436 HydrophobicContact CG-CD1 3.87Å; S432-I436 WeakPolarHBondContact O-CG1 3.25Å; S432-I436 PolarHBondContact O-N 3.17Å; S432-I436 VanDerWaalsContact O-N 3.12Å; I433-I436 PolarHBondContact O-N 2.94Å; I436-N440 HydrophobicContact CG2-CB 3.5Å; I436-N440 WeakPolarHBondContact CG2-ND2 3.42Å; I436-V443 HydrophobicContact CB-CG2 4.32Å; I436-V443 HydrophobicContact CG2-CG2 3.98Å |
| 437 | G | 91.4 | Very high | 93 | Very high | 25 Ų | 25 | 50.9 Ų | 50.9 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | trans | 106.1 | 136.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I433 T439 N440 | I433-G437 CarbonylContact O-C 3.55Å; I433-G437 PolarHBondContact O-N 3.4Å; G437-T439 VanDerWaalsContact C-N 3.32Å; G437-T439 PolarHBondContact O-N 3.31Å; G437-N440 VanDerWaalsContact O-CB 3.3Å; G437-N440 WeakPolarHBondContact O-CB 3.47Å; G437-N440 PolarHBondContact O-N 2.89Å | ||
| 438 | K | 89.7 | Confident | 92.7 | Very high | 99 Ų | 99 | 52.3 Ų | 52.3 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -34.1 | -176.1 | -64.3 | 176.7 | -171.3 | 174.6 | 0 | 112.9 | I433 N440 L474 L478 | I433-K438 HydrophobicContact CG2-CG 4.06Å; K438-N440 VanDerWaalsContact C-N 3.28Å; K438-N440 PolarHBondContact O-N 2.95Å; K438-L474 HydrophobicContact CD-CD1 3.96Å; K438-L478 HydrophobicContact CB-CD2 3.78Å; K438-L478 HydrophobicContact CG-CD2 4.48Å; K438-L478 WeakPolarHBondContact O-CD2 3.28Å |
| 439 | T | 86.6 | Confident | 92.4 | Very high | 110 Ų | 110 | 55.8 Ų | 55.8 | 68% | 0.675 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 6.9 | -178.2 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | G437 | G437-T439 VanDerWaalsContact C-N 3.32Å; G437-T439 PolarHBondContact O-N 3.31Å |
| 440 | N | 90.6 | Very high | 92.2 | Very high | 52 Ų | 52 | 57.1 Ų | 57.1 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | trans | -72.6 | 133.3 | -179.9 | -170.8 | -68.8 | 0 | 0 | 0 | 110.4 | I436 G437 K438 Q442 V443 L444 | I436-N440 HydrophobicContact CG2-CB 3.5Å; I436-N440 WeakPolarHBondContact CG2-ND2 3.42Å; G437-N440 VanDerWaalsContact O-CB 3.3Å; G437-N440 WeakPolarHBondContact O-CB 3.47Å; G437-N440 PolarHBondContact O-N 2.89Å; K438-N440 VanDerWaalsContact C-N 3.28Å; K438-N440 PolarHBondContact O-N 2.95Å; N440-Q442 PolarHBondContact O-N 2.88Å; N440-Q442 VanDerWaalsContact O-N 3.11Å; N440-Q442 VanDerWaalsContact OD1-CB 3.31Å; N440-Q442 WeakPolarHBondContact OD1-CB 3.41Å; N440-Q442 WeakPolarHBondContact OD1-CG 3.36Å; N440-Q442 PolarHBondContact OD1-N 2.96Å; N440-V443 HydrophobicContact CB-CG2 4.24Å; N440-V443 WeakPolarHBondContact O-CB 3.2Å; N440-V443 PolarHBondContact O-N 3.28Å; N440-L444 PolarHBondContact O-N 2.99Å; N440-L444 VanDerWaalsContact O-N 3.09Å | ||
| 441 | S | 90.8 | Very high | 92 | Very high | 82 Ų | 82 | 55.9 Ų | 55.9 | 57% | 0.573 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -56 | -29.9 | -179.2 | 59.1 | 0 | 0 | 0 | 0 | 113.7 | R445 | S441-R445 WeakPolarHBondContact O-CB 3.32Å; S441-R445 PolarHBondContact O-N 3.13Å |
| 442 | Q | 90.2 | Very high | 91.6 | Very high | 92 Ų | 92 | 61.2 Ų | 61.2 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 175.2 | -64.1 | -176 | -11.4 | 0 | 0 | 112.1 | S404 L407 N440 A446 | S404-Q442 PolarHBondContact OG-OE1 2.96Å; L407-Q442 HydrophobicContact CD2-CB 4.28Å; N440-Q442 PolarHBondContact O-N 2.88Å; N440-Q442 VanDerWaalsContact O-N 3.11Å; N440-Q442 VanDerWaalsContact OD1-CB 3.31Å; N440-Q442 WeakPolarHBondContact OD1-CB 3.41Å; N440-Q442 WeakPolarHBondContact OD1-CG 3.36Å; N440-Q442 PolarHBondContact OD1-N 2.96Å; Q442-A446 WeakPolarHBondContact O-CB 3.34Å; Q442-A446 PolarHBondContact O-N 2.94Å |
| 443 | V | 92.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.4 | -46.3 | 178.5 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | L407 I433 I436 N440 A446 W447 L478 | L407-V443 HydrophobicContact CD1-CG2 4.06Å; L407-V443 HydrophobicContact CD2-CB 4.49Å; L407-V443 HydrophobicContact CD2-CG2 3.72Å; I433-V443 HydrophobicContact CD1-CG1 4.17Å; I433-V443 HydrophobicContact CG1-CG1 3.99Å; I433-V443 HydrophobicContact CG2-CG1 4.09Å; I436-V443 HydrophobicContact CB-CG2 4.32Å; I436-V443 HydrophobicContact CG2-CG2 3.98Å; N440-V443 HydrophobicContact CB-CG2 4.24Å; N440-V443 WeakPolarHBondContact O-CB 3.2Å; N440-V443 PolarHBondContact O-N 3.28Å; V443-A446 PolarHBondContact O-N 3.18Å; V443-W447 WeakPolarHBondContact O-CB 3.46Å; V443-W447 PolarHBondContact O-N 3.46Å; V443-L478 HydrophobicContact CG1-CD1 3.78Å |
| 444 | L | 91.5 | Very high | 91.3 | Very high | 10 Ų | 10 | 62.6 Ų | 62.6 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.8 | -53.8 | 179.9 | -64.3 | 170.7 | 0 | 0 | 0 | 110.5 | N440 A446 W447 T448 L478 E482 | N440-L444 PolarHBondContact O-N 2.99Å; N440-L444 VanDerWaalsContact O-N 3.09Å; L444-A446 VanDerWaalsContact C-N 3.34Å; L444-A446 PolarHBondContact O-N 3.33Å; L444-W447 PolarHBondContact O-N 3.36Å; L444-W447 VanDerWaalsContact O-N 3.1Å; L444-T448 PolarHBondContact O-N 3.32Å; L444-T448 PolarHBondContact O-OG1 3.49Å; L444-L478 HydrophobicContact CD2-CB 3.79Å; L444-E482 WeakPolarHBondContact CB-OE1 3.41Å; L444-E482 HydrophobicContact CD1-CG 4.01Å; L444-E482 WeakPolarHBondContact CD1-OE1 3.46Å |
| 445 | R | 91.5 | Very high | 91.1 | Very high | 189 Ų | 189 | 60.7 Ų | 60.7 | 71% | 0.713 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -55.3 | -47.2 | 174.7 | -174.3 | 178.5 | 179.9 | 178.9 | 2.6 | 112.3 | S441 W447 T448 M449 | S441-R445 WeakPolarHBondContact O-CB 3.32Å; S441-R445 PolarHBondContact O-N 3.13Å; R445-W447 VanDerWaalsContact C-N 3.27Å; R445-W447 PolarHBondContact O-N 2.84Å; R445-T448 PolarHBondContact O-N 2.92Å; R445-M449 WeakPolarHBondContact O-CG 3.46Å; R445-M449 PolarHBondContact O-N 2.85Å |
| 446 | A | 91.8 | Very high | 90.9 | Very high | 17 Ų | 17 | 64.7 Ų | 64.7 | 14% | 0.14 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63 | -34.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F411 Q442 V443 L444 R450 | F411-A446 HydrophobicContact CD2-CB 3.61Å; F411-A446 HydrophobicContact CE2-CB 3.43Å; F411-A446 VanDerWaalsContact CE2-CB 3.43Å; F411-A446 HydrophobicContact CG-CB 4.25Å; F411-A446 HydrophobicContact CZ-CB 3.96Å; Q442-A446 WeakPolarHBondContact O-CB 3.34Å; Q442-A446 PolarHBondContact O-N 2.94Å; V443-A446 PolarHBondContact O-N 3.18Å; L444-A446 VanDerWaalsContact C-N 3.34Å; L444-A446 PolarHBondContact O-N 3.33Å; A446-R450 VanDerWaalsContact O-CD 3.32Å; A446-R450 WeakPolarHBondContact O-CD 3.47Å; A446-R450 WeakPolarHBondContact O-CG 2.96Å; A446-R450 PolarHBondContact O-NH1 3.17Å |
| 447 | W | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -76 | -45.9 | 175.6 | 170.7 | -118.4 | 0 | 0 | 0 | 112.7 | V443 L444 R445 M449 R450 K451 W454 F459 L475 D479 | V443-W447 WeakPolarHBondContact O-CB 3.46Å; V443-W447 PolarHBondContact O-N 3.46Å; L444-W447 PolarHBondContact O-N 3.36Å; L444-W447 VanDerWaalsContact O-N 3.1Å; R445-W447 VanDerWaalsContact C-N 3.27Å; R445-W447 PolarHBondContact O-N 2.84Å; W447-M449 VanDerWaalsContact C-N 3.27Å; W447-M449 PolarHBondContact O-N 3.29Å; W447-R450 CarbonylContact O-C 3.58Å; W447-R450 WeakPolarHBondContact O-CA 3.47Å; W447-R450 PolarHBondContact O-N 2.92Å; W447-K451 HydrophobicContact CD2-CB 4.48Å; W447-K451 HydrophobicContact CH2-CB 4.27Å; W447-K451 HydrophobicContact CH2-CG 4.41Å; W447-K451 HydrophobicContact CZ2-CB 3.96Å; W447-K451 HydrophobicContact CZ2-CG 3.87Å; W447-K451 PolarHBondContact O-N 2.95Å; W447-W454 HydrophobicContact CE3-CE3 4.36Å; W447-W454 HydrophobicContact CZ3-CB 4.16Å; W447-W454 HydrophobicContact CZ3-CD2 4.32Å; W447-W454 AromaticContact CZ3-CE3 3.82Å; W447-W454 HydrophobicContact CZ3-CE3 3.82Å; W447-W454 HydrophobicContact CZ3-CG 4.48Å; W447-F459 AromaticContact CH2-CE2 3.86Å; W447-F459 HydrophobicContact CH2-CE2 3.86Å; W447-F459 HydrophobicContact CZ3-CE2 4.13Å; W447-L475 HydrophobicContact CB-CD2 4.38Å; W447-L475 HydrophobicContact CD2-CB 3.82Å; W447-L475 HydrophobicContact CD2-CD2 4.03Å; W447-L475 HydrophobicContact CD2-CG 4.32Å; W447-L475 HydrophobicContact CE3-CB 3.98Å; W447-L475 HydrophobicContact CE3-CD1 3.86Å; W447-L475 HydrophobicContact CE3-CD2 3.99Å; W447-L475 HydrophobicContact CE3-CG 4.15Å; W447-L475 HydrophobicContact CG-CB 4.48Å; W447-L475 HydrophobicContact CG-CD2 4.19Å; W447-L475 HydrophobicContact CH2-CB 3.99Å; W447-L475 HydrophobicContact CH2-CD1 4.36Å; W447-L475 HydrophobicContact CZ2-CB 3.82Å; W447-L475 HydrophobicContact CZ3-CB 4.07Å; W447-L475 HydrophobicContact CZ3-CD1 3.78Å; W447-L475 HydrophobicContact CZ3-CG 4.39Å; W447-L475 PolarHBondContact NE1-O 2.66Å; W447-D479 VanDerWaalsContact CD1-OD1 3.26Å; W447-D479 PolarHBondContact NE1-OD1 3.36Å |
| 448 | T | 90.7 | Very high | 90.6 | Very high | 66 Ų | 66 | 64.2 Ų | 64.2 | 41% | 0.405 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -54.6 | -44.2 | -179.9 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | L444 R445 R450 | L444-T448 PolarHBondContact O-N 3.32Å; L444-T448 PolarHBondContact O-OG1 3.49Å; R445-T448 PolarHBondContact O-N 2.92Å; T448-R450 PolarHBondContact O-N 2.85Å; T448-R450 VanDerWaalsContact O-N 3.08Å |
| 449 | M | 89.6 | Confident | 90.6 | Very high | 75 Ų | 75 | 60.2 Ų | 60.2 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.5 | 175.9 | -63 | -75.2 | -63.9 | 0 | 0 | 113.5 | R445 W447 L493 | R445-M449 WeakPolarHBondContact O-CG 3.46Å; R445-M449 PolarHBondContact O-N 2.85Å; W447-M449 VanDerWaalsContact C-N 3.27Å; W447-M449 PolarHBondContact O-N 3.29Å; M449-L493 HydrophobicContact CE-CD1 4.34Å; M449-L493 HydrophobicContact CE-CD2 3.45Å; M449-L493 VanDerWaalsContact CE-CD2 3.45Å; M449-L493 HydrophobicContact CE-CG 4.32Å; M449-L493 HydrophobicContact SD-CD2 3.25Å; M449-L493 WeakPolarHBondContact SD-CD2 3.45Å |
| 450 | R | 92.7 | Very high | 90.7 | Very high | 29 Ų | 29 | 58.5 Ų | 58.5 | 11% | 0.109 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -20.7 | -168.9 | -56.8 | -178.1 | 163.2 | 71.9 | 2.1 | 115.6 | D415 A446 W447 T448 R452 Y453 W454 | D415-R450 VanDerWaalsContact CG-NE 3.33Å; D415-R450 VanDerWaalsContact OD1-CD 3.3Å; D415-R450 WeakPolarHBondContact OD1-CD 3.35Å; D415-R450 IonicContact OD1-CZ 3.54Å; D415-R450 IonicContact OD1-NE 3.36Å; D415-R450 PolarHBondContact OD1-NE 3.21Å; D415-R450 IonicContact OD1-NH2 2.85Å; D415-R450 IonicContact OD2-CZ 3.61Å; D415-R450 IonicContact OD2-NE 3.46Å; D415-R450 PolarHBondContact OD2-NE 2.88Å; D415-R450 IonicContact OD2-NH2 3.59Å; D415-R450 PolarHBondContact OD2-NH2 3.22Å; A446-R450 VanDerWaalsContact O-CD 3.32Å; A446-R450 WeakPolarHBondContact O-CD 3.47Å; A446-R450 WeakPolarHBondContact O-CG 2.96Å; A446-R450 PolarHBondContact O-NH1 3.17Å; W447-R450 CarbonylContact O-C 3.58Å; W447-R450 WeakPolarHBondContact O-CA 3.47Å; W447-R450 PolarHBondContact O-N 2.92Å; T448-R450 PolarHBondContact O-N 2.85Å; T448-R450 VanDerWaalsContact O-N 3.08Å; R450-R452 VanDerWaalsContact C-N 3.33Å; R450-R452 PolarHBondContact O-N 3.25Å; R450-Y453 HydrophobicContact CB-CD1 4.38Å; R450-Y453 HydrophobicContact CB-CE1 3.63Å; R450-Y453 WeakPolarHBondContact CD-OH 3.22Å; R450-Y453 HydrophobicContact CG-CE1 3.67Å; R450-Y453 WeakPolarHBondContact CG-OH 2.77Å; R450-Y453 PolarHBondContact NE-OH 3.41Å; R450-Y453 WeakPolarHBondContact O-CD1 3.05Å; R450-Y453 PolarHBondContact O-N 3.13Å; R450-Y453 VanDerWaalsContact O-N 3.17Å; R450-W454 HydrophobicContact CB-CD2 4.21Å; R450-W454 HydrophobicContact CB-CG 4.12Å; R450-W454 WeakPolarHBondContact O-CB 3.35Å; R450-W454 PolarHBondContact O-N 2.83Å |
| 451 | K | 90.5 | Very high | 90.5 | Very high | 82 Ų | 82 | 58.8 Ų | 58.8 | 36% | 0.357 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -45.3 | -52.7 | -174.7 | 176.5 | 176.2 | 173.5 | 171.4 | 0 | 113.3 | W447 Y453 N455 D479 | W447-K451 HydrophobicContact CD2-CB 4.48Å; W447-K451 HydrophobicContact CH2-CB 4.27Å; W447-K451 HydrophobicContact CH2-CG 4.41Å; W447-K451 HydrophobicContact CZ2-CB 3.96Å; W447-K451 HydrophobicContact CZ2-CG 3.87Å; W447-K451 PolarHBondContact O-N 2.95Å; K451-Y453 PolarHBondContact O-N 3.09Å; K451-N455 WeakPolarHBondContact O-CB 3.47Å; K451-N455 PolarHBondContact O-N 2.72Å; K451-N455 VanDerWaalsContact O-N 3.14Å; K451-N455 PolarHBondContact O-ND2 2.86Å; K451-D479 WeakPolarHBondContact CD-OD2 3.26Å; K451-D479 WeakPolarHBondContact CE-OD2 3.48Å; K451-D479 IonicContact NZ-OD1 2.84Å; K451-D479 IonicContact NZ-OD2 2.8Å; K451-D479 PolarHBondContact NZ-OD2 3.3Å |
| 452 | R | 88.8 | Confident | 90.1 | Very high | 171 Ų | 171 | 60.2 Ų | 60.2 | 65% | 0.645 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.6 | -48.4 | -175.6 | -172.1 | 178 | -179.6 | 175.8 | 2.1 | 111.8 | R450 K456 N494 | R450-R452 VanDerWaalsContact C-N 3.33Å; R450-R452 PolarHBondContact O-N 3.25Å; R452-K456 PolarHBondContact O-N 2.86Å; R452-N494 PolarHBondContact NH1-OD1 3.34Å; R452-N494 VanDerWaalsContact NH1-OD1 3.14Å |
| 453 | Y | 90 | Very high | 89.8 | Confident | 29 Ų | 29 | 62.3 Ų | 62.3 | 11% | 0.114 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -83.8 | -32.2 | -173.9 | 79.6 | -98.5 | 0 | 0 | 0 | 113 | D415 R450 K451 N455 K456 L457 L497 | D415-Y453 PolarHBondContact OD1-OH 2.63Å; R450-Y453 HydrophobicContact CB-CD1 4.38Å; R450-Y453 HydrophobicContact CB-CE1 3.63Å; R450-Y453 WeakPolarHBondContact CD-OH 3.22Å; R450-Y453 HydrophobicContact CG-CE1 3.67Å; R450-Y453 WeakPolarHBondContact CG-OH 2.77Å; R450-Y453 PolarHBondContact NE-OH 3.41Å; R450-Y453 WeakPolarHBondContact O-CD1 3.05Å; R450-Y453 PolarHBondContact O-N 3.13Å; R450-Y453 VanDerWaalsContact O-N 3.17Å; K451-Y453 PolarHBondContact O-N 3.09Å; Y453-N455 VanDerWaalsContact C-N 3.32Å; Y453-N455 PolarHBondContact O-N 3.19Å; Y453-K456 PolarHBondContact O-N 3.43Å; Y453-L457 HydrophobicContact CD2-CD1 4.34Å; Y453-L457 WeakPolarHBondContact O-CB 3.48Å; Y453-L457 PolarHBondContact O-N 3.01Å; Y453-L497 HydrophobicContact CD1-CD2 3.82Å; Y453-L497 HydrophobicContact CE1-CD2 4.18Å |
| 454 | W | 93.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 172.4 | -79.9 | 24.9 | 0 | 0 | 0 | 111.2 | F411 L414 D415 W426 L429 W447 R450 K456 H458 F459 L475 | F411-W454 AromaticContact CD1-CH2 3.43Å; F411-W454 HydrophobicContact CD1-CH2 3.43Å; F411-W454 VanDerWaalsContact CD1-CH2 3.43Å; F411-W454 AromaticContact CD1-CZ2 3.88Å; F411-W454 HydrophobicContact CD1-CZ2 3.88Å; F411-W454 HydrophobicContact CD1-CZ3 4.15Å; F411-W454 AromaticContact CE1-CH2 3.84Å; F411-W454 HydrophobicContact CE1-CH2 3.84Å; F411-W454 HydrophobicContact CE1-CZ3 4.09Å; L414-W454 HydrophobicContact CB-CH2 3.56Å; L414-W454 HydrophobicContact CB-CZ2 3.56Å; L414-W454 HydrophobicContact CD1-CH2 4.04Å; L414-W454 HydrophobicContact CG-CH2 4.44Å; D415-W454 WeakPolarHBondContact OD1-CZ2 3.29Å; W426-W454 HydrophobicContact CH2-CE3 4.17Å; W426-W454 HydrophobicContact CH2-CZ3 4.09Å; W426-W454 HydrophobicContact CZ3-CE3 4.18Å; W426-W454 HydrophobicContact CZ3-CH2 4.48Å; W426-W454 AromaticContact CZ3-CZ3 3.74Å; W426-W454 HydrophobicContact CZ3-CZ3 3.74Å; L429-W454 HydrophobicContact CD2-CH2 3.93Å; L429-W454 HydrophobicContact CD2-CZ3 3.88Å; W447-W454 HydrophobicContact CE3-CE3 4.36Å; W447-W454 HydrophobicContact CZ3-CB 4.16Å; W447-W454 HydrophobicContact CZ3-CD2 4.32Å; W447-W454 AromaticContact CZ3-CE3 3.82Å; W447-W454 HydrophobicContact CZ3-CE3 3.82Å; W447-W454 HydrophobicContact CZ3-CG 4.48Å; R450-W454 HydrophobicContact CB-CD2 4.21Å; R450-W454 HydrophobicContact CB-CG 4.12Å; R450-W454 WeakPolarHBondContact O-CB 3.35Å; R450-W454 PolarHBondContact O-N 2.83Å; W454-K456 VanDerWaalsContact C-N 3.3Å; W454-K456 PolarHBondContact O-N 3.34Å; W454-H458 HydrophobicContact CB-CB 4.42Å; W454-H458 AromaticContact CD1-ND1 3.71Å; W454-H458 WeakPolarHBondContact O-CA 3.11Å; W454-H458 WeakPolarHBondContact O-CB 2.98Å; W454-H458 PolarHBondContact O-N 2.51Å; W454-F459 HydrophobicContact CB-CD2 4.22Å; W454-F459 HydrophobicContact CB-CE2 3.95Å; W454-F459 HydrophobicContact CE3-CE2 4.33Å; W454-F459 HydrophobicContact CE3-CZ 4.16Å; W454-F459 PolarHBondContact O-N 3.43Å; W454-L475 HydrophobicContact CE3-CD1 4.16Å; W454-L475 HydrophobicContact CZ3-CD1 4Å |
| 455 | N | 90.6 | Very high | 89.6 | Confident | 54 Ų | 54 | 63.3 Ų | 63.3 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 174.2 | -79.3 | -43.8 | 0 | 0 | 0 | 112.8 | K451 Y453 F459 | K451-N455 WeakPolarHBondContact O-CB 3.47Å; K451-N455 PolarHBondContact O-N 2.72Å; K451-N455 VanDerWaalsContact O-N 3.14Å; K451-N455 PolarHBondContact O-ND2 2.86Å; Y453-N455 VanDerWaalsContact C-N 3.32Å; Y453-N455 PolarHBondContact O-N 3.19Å; N455-F459 WeakPolarHBondContact OD1-CD2 3.41Å |
| 456 | K | 89.5 | Confident | 89.5 | Confident | 146 Ų | 146 | 60.2 Ų | 60.2 | 64% | 0.635 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -79.7 | -36.1 | -179.8 | -171.3 | 177.6 | 178.8 | -176.7 | 0 | 113.9 | R452 Y453 W454 S460 | R452-K456 PolarHBondContact O-N 2.86Å; Y453-K456 PolarHBondContact O-N 3.43Å; W454-K456 VanDerWaalsContact C-N 3.3Å; W454-K456 PolarHBondContact O-N 3.34Å; K456-S460 WeakPolarHBondContact O-CB 3.49Å; K456-S460 PolarHBondContact O-OG 3.35Å |
| 457 | L | 89.4 | Confident | 89.5 | Confident | 45 Ų | 45 | 61 Ų | 61 | 24% | 0.236 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -106.7 | -42.8 | -170.6 | -64.9 | 177.2 | 0 | 0 | 0 | 113.8 | Y453 S460 L461 | Y453-L457 HydrophobicContact CD2-CD1 4.34Å; Y453-L457 WeakPolarHBondContact O-CB 3.48Å; Y453-L457 PolarHBondContact O-N 3.01Å; L457-S460 PolarHBondContact O-OG 3Å; L457-L461 WeakPolarHBondContact O-CG 3.12Å |
| 458 | H | 88.2 | Confident | 89.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -54.3 | -175.2 | -74.1 | 72.8 | 0 | 0 | 0 | 111.1 | L414 P417 A420 W454 S460 L461 | L414-H458 PolarHBondContact O-CE1 3.12Å; L414-H458 PolarHBondContact O-NE2 3.3Å; P417-H458 WeakPolarHBondContact CA-NE2 3.33Å; A420-H458 HydrophobicContact CB-CB 4.48Å; A420-H458 VanDerWaalsContact CB-CD2 3.49Å; A420-H458 WeakPolarHBondContact CB-CD2 3.3Å; W454-H458 HydrophobicContact CB-CB 4.42Å; W454-H458 AromaticContact CD1-ND1 3.71Å; W454-H458 WeakPolarHBondContact O-CA 3.11Å; W454-H458 WeakPolarHBondContact O-CB 2.98Å; W454-H458 PolarHBondContact O-N 2.51Å; H458-S460 PolarHBondContact O-N 2.83Å; H458-L461 WeakPolarHBondContact O-CB 3.44Å; H458-L461 WeakPolarHBondContact O-CG 3.4Å; H458-L461 PolarHBondContact O-N 3.07Å |
| 459 | F | 90.8 | Very high | 89.5 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 0 | -171.8 | -59.8 | -47.5 | 0 | 0 | 0 | 114.3 | W426 W447 W454 N455 L464 K472 L475 | W426-F459 AromaticContact CH2-CE1 3.71Å; W426-F459 HydrophobicContact CH2-CE1 3.71Å; W426-F459 AromaticContact CH2-CZ 3.98Å; W426-F459 HydrophobicContact CH2-CZ 3.98Å; W426-F459 HydrophobicContact CZ2-CE1 4.41Å; W426-F459 HydrophobicContact CZ3-CE1 4.1Å; W426-F459 HydrophobicContact CZ3-CZ 4.14Å; W447-F459 AromaticContact CH2-CE2 3.86Å; W447-F459 HydrophobicContact CH2-CE2 3.86Å; W447-F459 HydrophobicContact CZ3-CE2 4.13Å; W454-F459 HydrophobicContact CB-CD2 4.22Å; W454-F459 HydrophobicContact CB-CE2 3.95Å; W454-F459 HydrophobicContact CE3-CE2 4.33Å; W454-F459 HydrophobicContact CE3-CZ 4.16Å; W454-F459 PolarHBondContact O-N 3.43Å; N455-F459 WeakPolarHBondContact OD1-CD2 3.41Å; F459-L464 HydrophobicContact CD1-CD2 3.84Å; F459-L464 HydrophobicContact CE1-CD2 4.49Å; F459-K472 HydrophobicContact CB-CD 3.82Å; F459-K472 HydrophobicContact CB-CG 4.44Å; F459-K472 HydrophobicContact CD1-CB 3.82Å; F459-K472 HydrophobicContact CD1-CD 3.98Å; F459-K472 HydrophobicContact CD1-CG 3.96Å; F459-K472 HydrophobicContact CD2-CB 4.48Å; F459-K472 HydrophobicContact CD2-CD 4.23Å; F459-K472 HydrophobicContact CD2-CG 3.92Å; F459-K472 HydrophobicContact CE1-CB 3.66Å; F459-K472 HydrophobicContact CE1-CG 4.15Å; F459-K472 HydrophobicContact CE2-CB 4.33Å; F459-K472 HydrophobicContact CE2-CG 4.1Å; F459-K472 HydrophobicContact CG-CB 4.25Å; F459-K472 HydrophobicContact CG-CD 3.76Å; F459-K472 HydrophobicContact CG-CG 3.85Å; F459-K472 HydrophobicContact CZ-CB 3.93Å; F459-K472 HydrophobicContact CZ-CG 4.21Å; F459-L475 HydrophobicContact CZ-CD1 4.11Å |
| 460 | S | 88.3 | Confident | 89.7 | Confident | 73 Ų | 73 | 62.1 Ų | 62.1 | 51% | 0.51 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -11.3 | 170 | 58.6 | 0 | 0 | 0 | 0 | 112.9 | K456 L457 H458 | K456-S460 WeakPolarHBondContact O-CB 3.49Å; K456-S460 PolarHBondContact O-OG 3.35Å; L457-S460 PolarHBondContact O-OG 3Å; H458-S460 PolarHBondContact O-N 2.83Å |
| 461 | L | 86.3 | Confident | 89.7 | Confident | 59 Ų | 59 | 60.7 Ų | 60.7 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | trans | -67.3 | 132.4 | -179.5 | -66 | 170.8 | 0 | 0 | 0 | 111 | A420 L457 H458 N463 | A420-L461 HydrophobicContact CB-CD1 3.47Å; A420-L461 VanDerWaalsContact CB-CD1 3.47Å; L457-L461 WeakPolarHBondContact O-CG 3.12Å; H458-L461 WeakPolarHBondContact O-CB 3.44Å; H458-L461 WeakPolarHBondContact O-CG 3.4Å; H458-L461 PolarHBondContact O-N 3.07Å; L461-N463 PolarHBondContact O-N 3.4Å | ||
| 462 | P | 83.1 | Confident | 89.8 | Confident | 111 Ų | 111 | 60.1 Ų | 60.1 | 72% | 0.721 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -38.1 | -176.8 | 24.5 | -32.8 | 0 | 0 | 0 | 112.2 | L464 | P462-L464 VanDerWaalsContact C-N 3.31Å; P462-L464 PolarHBondContact O-N 3.27Å |
| 463 | N | 83.6 | Confident | 89.9 | Confident | 136 Ų | 136 | 57.5 Ų | 57.5 | 73% | 0.727 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 41.5 | -173.2 | -63.8 | -19.8 | 0 | 0 | 0 | 112.7 | L461 | L461-N463 PolarHBondContact O-N 3.4Š|
| 464 | L | 88.2 | Confident | 89.9 | Confident | 14 Ų | 14 | 57.4 Ų | 57.4 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | trans | -75.3 | 128.4 | -177.4 | -164.6 | 73.3 | 0 | 0 | 0 | 111.5 | A420 F459 P462 A468 K469 | A420-L464 HydrophobicContact CB-CD1 4.3Å; F459-L464 HydrophobicContact CD1-CD2 3.84Å; F459-L464 HydrophobicContact CE1-CD2 4.49Å; P462-L464 VanDerWaalsContact C-N 3.31Å; P462-L464 PolarHBondContact O-N 3.27Å; L464-A468 HydrophobicContact CD1-CB 3.7Å; L464-A468 HydrophobicContact CD2-CB 3.83Å; L464-A468 HydrophobicContact CG-CB 3.54Å; L464-K469 HydrophobicContact CB-CG 4.47Å; L464-K469 HydrophobicContact CD2-CG 3.94Å; L464-K469 HydrophobicContact CG-CG 4.45Å; L464-K469 WeakPolarHBondContact O-CE 3.15Å | ||
| 465 | P | 89.8 | Confident | 89.8 | Confident | 17 Ų | 17 | 57.4 Ų | 57.4 | 11% | 0.11 | 31% | 0.309 | C | S | . | . | trans | -58.2 | 151.5 | 178.1 | -26.4 | 34.7 | 0 | 0 | 0 | 113.7 | A420 V421 I467 A468 K469 | A420-P465 VanDerWaalsContact O-CD 3.32Å; A420-P465 WeakPolarHBondContact O-CD 3.3Å; V421-P465 WeakPolarHBondContact O-CG 3.27Å; P465-I467 HydrophobicContact CB-CG2 4.05Å; P465-I467 PolarHBondContact O-N 3.47Å; P465-I467 VanDerWaalsContact O-N 3.16Å; P465-A468 HydrophobicContact CB-CB 4.36Å; P465-A468 WeakPolarHBondContact O-CA 3.37Å; P465-A468 WeakPolarHBondContact O-CB 3.43Å; P465-A468 PolarHBondContact O-N 2.93Å; P465-K469 PolarHBondContact O-N 2.81Å | ||
| 466 | V | 90.6 | Very high | 89.6 | Confident | 124 Ų | 124 | 57.6 Ų | 57.6 | 75% | 0.752 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -53.3 | -40.6 | 177.9 | 178.8 | 0 | 0 | 0 | 0 | 112 | A468 K469 S470 | V466-A468 VanDerWaalsContact C-N 3.31Å; V466-A468 PolarHBondContact O-N 3.15Å; V466-K469 PolarHBondContact O-N 3.49Å; V466-S470 PolarHBondContact O-N 3.09Å |
| 467 | I | 92 | Very high | 89.5 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 17% | 0.169 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.8 | -35.2 | 178.2 | -170.2 | 164.7 | 0 | 0 | 0 | 112.7 | C423 W426 R427 P465 S470 M471 | C423-I467 HydrophobicContact CB-CG2 4Å; W426-I467 HydrophobicContact CB-CG1 4.17Å; W426-I467 HydrophobicContact CB-CG2 3.91Å; W426-I467 HydrophobicContact CG-CG2 4.47Å; R427-I467 HydrophobicContact CB-CD1 3.59Å; R427-I467 HydrophobicContact CG-CD1 3.94Å; P465-I467 HydrophobicContact CB-CG2 4.05Å; P465-I467 PolarHBondContact O-N 3.47Å; P465-I467 VanDerWaalsContact O-N 3.16Å; I467-S470 WeakPolarHBondContact O-CB 3.34Å; I467-S470 PolarHBondContact O-N 2.59Å; I467-M471 WeakPolarHBondContact O-CB 3.17Å; I467-M471 VanDerWaalsContact O-CG 3.31Å; I467-M471 WeakPolarHBondContact O-CG 3.25Å; I467-M471 PolarHBondContact O-N 3.46Å |
| 468 | A | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.1 | -37.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | W426 L464 P465 V466 S470 M471 K472 | W426-A468 HydrophobicContact CD2-CB 3.72Å; W426-A468 VanDerWaalsContact CE2-CB 3.48Å; W426-A468 HydrophobicContact CE3-CB 4.49Å; W426-A468 HydrophobicContact CG-CB 3.76Å; W426-A468 HydrophobicContact CZ2-CB 4.07Å; L464-A468 HydrophobicContact CD1-CB 3.7Å; L464-A468 HydrophobicContact CD2-CB 3.83Å; L464-A468 HydrophobicContact CG-CB 3.54Å; P465-A468 HydrophobicContact CB-CB 4.36Å; P465-A468 WeakPolarHBondContact O-CA 3.37Å; P465-A468 WeakPolarHBondContact O-CB 3.43Å; P465-A468 PolarHBondContact O-N 2.93Å; V466-A468 VanDerWaalsContact C-N 3.31Å; V466-A468 PolarHBondContact O-N 3.15Å; A468-S470 VanDerWaalsContact C-N 3.35Å; A468-M471 PolarHBondContact O-N 3.47Å; A468-K472 PolarHBondContact O-N 2.93Å |
| 469 | K | 91.9 | Very high | 87.9 | Confident | 119 Ų | 119 | 57.9 Ų | 57.9 | 52% | 0.517 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 168.9 | -65.4 | -179.9 | -179.3 | 179.6 | 0 | 111.5 | L464 P465 V466 M471 K472 L473 | L464-K469 HydrophobicContact CB-CG 4.47Å; L464-K469 HydrophobicContact CD2-CG 3.94Å; L464-K469 HydrophobicContact CG-CG 4.45Å; L464-K469 WeakPolarHBondContact O-CE 3.15Å; P465-K469 PolarHBondContact O-N 2.81Å; V466-K469 PolarHBondContact O-N 3.49Å; K469-M471 VanDerWaalsContact C-N 3.33Å; K469-M471 PolarHBondContact O-N 3.33Å; K469-K472 WeakPolarHBondContact O-CB 2.86Å; K469-K472 PolarHBondContact O-N 3.37Å; K469-L473 PolarHBondContact O-N 2.98Å |
| 470 | S | 92.7 | Very high | 86.3 | Confident | 46 Ų | 46 | 64 Ų | 64 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 173.6 | 172.5 | 0 | 0 | 0 | 0 | 112.3 | V466 I467 A468 L473 L474 | V466-S470 PolarHBondContact O-N 3.09Å; I467-S470 WeakPolarHBondContact O-CB 3.34Å; I467-S470 PolarHBondContact O-N 2.59Å; A468-S470 VanDerWaalsContact C-N 3.35Å; S470-L473 PolarHBondContact O-N 3.18Å; S470-L474 PolarHBondContact O-N 2.85Å |
| 471 | M | 93.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 175.9 | -78 | -59.7 | -61.9 | 0 | 0 | 112.7 | W426 L429 R430 I433 I467 A468 K469 L473 L474 L475 | W426-M471 HydrophobicContact CB-CG 4.33Å; W426-M471 HydrophobicContact CE3-CB 3.89Å; W426-M471 HydrophobicContact CE3-CG 4.12Å; W426-M471 HydrophobicContact CZ3-CB 4.34Å; L429-M471 HydrophobicContact CB-CE 4.39Å; L429-M471 HydrophobicContact CD2-CE 3.76Å; L429-M471 HydrophobicContact CG-CE 3.77Å; R430-M471 HydrophobicContact CB-CE 4.42Å; R430-M471 HydrophobicContact CB-SD 3.47Å; R430-M471 WeakPolarHBondContact CB-SD 3.26Å; R430-M471 HydrophobicContact CG-SD 3.75Å; I433-M471 HydrophobicContact CD1-CE 3.89Å; I467-M471 WeakPolarHBondContact O-CB 3.17Å; I467-M471 VanDerWaalsContact O-CG 3.31Å; I467-M471 WeakPolarHBondContact O-CG 3.25Å; I467-M471 PolarHBondContact O-N 3.46Å; A468-M471 PolarHBondContact O-N 3.47Å; K469-M471 VanDerWaalsContact C-N 3.33Å; K469-M471 PolarHBondContact O-N 3.33Å; M471-L473 VanDerWaalsContact C-N 3.3Å; M471-L473 PolarHBondContact O-N 2.9Å; M471-L474 HydrophobicContact CE-CD2 4.08Å; M471-L474 WeakPolarHBondContact O-CB 2.6Å; M471-L474 PolarHBondContact O-N 2.9Å; M471-L474 VanDerWaalsContact O-N 3.12Å; M471-L474 HydrophobicContact SD-CD2 3.78Å; M471-L475 HydrophobicContact CE-CD1 4.39Å; M471-L475 HydrophobicContact CE-CG 4.32Å; M471-L475 WeakPolarHBondContact O-CB 3.44Å; M471-L475 VanDerWaalsContact O-CG 3.28Å; M471-L475 WeakPolarHBondContact O-CG 3.38Å; M471-L475 PolarHBondContact O-N 3.46Å |
| 472 | K | 92.2 | Very high | 83 | Confident | 69 Ų | 69 | 66.4 Ų | 66.4 | 30% | 0.3 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -54.8 | -47.6 | 172.2 | -173.2 | -176.7 | -174.3 | 174.5 | 0 | 111.3 | F459 A468 K469 L474 L475 N476 | F459-K472 HydrophobicContact CB-CD 3.82Å; F459-K472 HydrophobicContact CB-CG 4.44Å; F459-K472 HydrophobicContact CD1-CB 3.82Å; F459-K472 HydrophobicContact CD1-CD 3.98Å; F459-K472 HydrophobicContact CD1-CG 3.96Å; F459-K472 HydrophobicContact CD2-CB 4.48Å; F459-K472 HydrophobicContact CD2-CD 4.23Å; F459-K472 HydrophobicContact CD2-CG 3.92Å; F459-K472 HydrophobicContact CE1-CB 3.66Å; F459-K472 HydrophobicContact CE1-CG 4.15Å; F459-K472 HydrophobicContact CE2-CB 4.33Å; F459-K472 HydrophobicContact CE2-CG 4.1Å; F459-K472 HydrophobicContact CG-CB 4.25Å; F459-K472 HydrophobicContact CG-CD 3.76Å; F459-K472 HydrophobicContact CG-CG 3.85Å; F459-K472 HydrophobicContact CZ-CB 3.93Å; F459-K472 HydrophobicContact CZ-CG 4.21Å; A468-K472 PolarHBondContact O-N 2.93Å; K469-K472 WeakPolarHBondContact O-CB 2.86Å; K469-K472 PolarHBondContact O-N 3.37Å; K472-L474 VanDerWaalsContact C-N 3.33Å; K472-L474 PolarHBondContact O-N 3.35Å; K472-L475 PolarHBondContact O-N 2.9Å; K472-N476 WeakPolarHBondContact O-CB 3.36Å; K472-N476 VanDerWaalsContact O-CG 3.27Å; K472-N476 PolarHBondContact O-N 3.48Å |
| 473 | L | 90.7 | Very high | 81.1 | Confident | 117 Ų | 117 | 66.2 Ų | 66.2 | 61% | 0.613 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63 | -39.4 | 176.6 | -67.3 | 172.5 | 0 | 0 | 0 | 112.1 | K469 S470 M471 K477 | K469-L473 PolarHBondContact O-N 2.98Å; S470-L473 PolarHBondContact O-N 3.18Å; M471-L473 VanDerWaalsContact C-N 3.3Å; M471-L473 PolarHBondContact O-N 2.9Å; L473-K477 VanDerWaalsContact O-CG 3.29Å; L473-K477 WeakPolarHBondContact O-CG 2.85Å; L473-K477 PolarHBondContact O-N 3.45Å |
| 474 | L | 90.9 | Very high | 79 | Confident | 27 Ų | 27 | 66.9 Ų | 66.9 | 14% | 0.141 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.2 | -48.5 | 176.7 | -180 | 67.2 | 0 | 0 | 0 | 111.5 | I433 K438 S470 M471 K472 K477 L478 | I433-L474 HydrophobicContact CG2-CD2 4.49Å; K438-L474 HydrophobicContact CD-CD1 3.96Å; S470-L474 PolarHBondContact O-N 2.85Å; M471-L474 HydrophobicContact CE-CD2 4.08Å; M471-L474 WeakPolarHBondContact O-CB 2.6Å; M471-L474 PolarHBondContact O-N 2.9Å; M471-L474 VanDerWaalsContact O-N 3.12Å; M471-L474 HydrophobicContact SD-CD2 3.78Å; K472-L474 VanDerWaalsContact C-N 3.33Å; K472-L474 PolarHBondContact O-N 3.35Å; L474-K477 PolarHBondContact O-N 2.87Å; L474-L478 WeakPolarHBondContact O-CG 3.3Å; L474-L478 PolarHBondContact O-N 2.99Å |
| 475 | L | 91.3 | Very high | 76.8 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.2 | -43.2 | -176.8 | -69.5 | 168.5 | 0 | 0 | 0 | 111.6 | I433 W447 W454 F459 M471 K472 K477 L478 | I433-L475 HydrophobicContact CD1-CD2 3.91Å; W447-L475 HydrophobicContact CB-CD2 4.38Å; W447-L475 HydrophobicContact CD2-CB 3.82Å; W447-L475 HydrophobicContact CD2-CD2 4.03Å; W447-L475 HydrophobicContact CD2-CG 4.32Å; W447-L475 HydrophobicContact CE3-CB 3.98Å; W447-L475 HydrophobicContact CE3-CD1 3.86Å; W447-L475 HydrophobicContact CE3-CD2 3.99Å; W447-L475 HydrophobicContact CE3-CG 4.15Å; W447-L475 HydrophobicContact CG-CB 4.48Å; W447-L475 HydrophobicContact CG-CD2 4.19Å; W447-L475 HydrophobicContact CH2-CB 3.99Å; W447-L475 HydrophobicContact CH2-CD1 4.36Å; W447-L475 HydrophobicContact CZ2-CB 3.82Å; W447-L475 HydrophobicContact CZ3-CB 4.07Å; W447-L475 HydrophobicContact CZ3-CD1 3.78Å; W447-L475 HydrophobicContact CZ3-CG 4.39Å; W447-L475 PolarHBondContact NE1-O 2.66Å; W454-L475 HydrophobicContact CE3-CD1 4.16Å; W454-L475 HydrophobicContact CZ3-CD1 4Å; F459-L475 HydrophobicContact CZ-CD1 4.11Å; M471-L475 HydrophobicContact CE-CD1 4.39Å; M471-L475 HydrophobicContact CE-CG 4.32Å; M471-L475 WeakPolarHBondContact O-CB 3.44Å; M471-L475 VanDerWaalsContact O-CG 3.28Å; M471-L475 WeakPolarHBondContact O-CG 3.38Å; M471-L475 PolarHBondContact O-N 3.46Å; K472-L475 PolarHBondContact O-N 2.9Å; L475-K477 PolarHBondContact O-N 3.44Å; L475-L478 HydrophobicContact CD2-CD1 3.89Å; L475-L478 VanDerWaalsContact O-CB 3.22Å; L475-L478 WeakPolarHBondContact O-CB 3.5Å; L475-L478 PolarHBondContact O-N 2.7Å |
| 476 | N | 86.9 | Confident | 74.6 | Confident | 58 Ų | 58 | 83 Ų | 83 | 31% | 0.31 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.5 | -26.7 | 175.7 | -71.9 | -6.4 | 0 | 0 | 0 | 113.2 | K472 L478 | K472-N476 WeakPolarHBondContact O-CB 3.36Å; K472-N476 VanDerWaalsContact O-CG 3.27Å; K472-N476 PolarHBondContact O-N 3.48Å; N476-L478 VanDerWaalsContact C-N 3.3Å |
| 477 | K | 86.2 | Confident | 72.4 | Confident | 146 Ų | 146 | 81.7 Ų | 81.7 | 64% | 0.635 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -73.2 | -21.7 | 173.8 | -76.1 | 178.3 | -179.1 | -169.3 | 0 | 113 | L473 L474 L475 D479 | L473-K477 VanDerWaalsContact O-CG 3.29Å; L473-K477 WeakPolarHBondContact O-CG 2.85Å; L473-K477 PolarHBondContact O-N 3.45Å; L474-K477 PolarHBondContact O-N 2.87Å; L475-K477 PolarHBondContact O-N 3.44Å; K477-D479 VanDerWaalsContact C-N 3.26Å; K477-D479 PolarHBondContact O-N 2.84Å |
| 478 | L | 81.6 | Confident | 70.5 | Confident | 8 Ų | 8 | 86.6 Ų | 86.6 | 4% | 0.042 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -69.1 | -27.7 | 176.7 | -57.9 | -179.2 | 0 | 0 | 0 | 112 | K438 V443 L444 L474 L475 N476 L480 T481 | K438-L478 HydrophobicContact CB-CD2 3.78Å; K438-L478 HydrophobicContact CG-CD2 4.48Å; K438-L478 WeakPolarHBondContact O-CD2 3.28Å; V443-L478 HydrophobicContact CG1-CD1 3.78Å; L444-L478 HydrophobicContact CD2-CB 3.79Å; L474-L478 WeakPolarHBondContact O-CG 3.3Å; L474-L478 PolarHBondContact O-N 2.99Å; L475-L478 HydrophobicContact CD2-CD1 3.89Å; L475-L478 VanDerWaalsContact O-CB 3.22Å; L475-L478 WeakPolarHBondContact O-CB 3.5Å; L475-L478 PolarHBondContact O-N 2.7Å; N476-L478 VanDerWaalsContact C-N 3.3Å; L478-L480 VanDerWaalsContact C-N 3.25Å; L478-L480 PolarHBondContact O-N 2.87Å; L478-T481 PolarHBondContact O-N 2.73Å; L478-T481 PolarHBondContact O-OG1 2.77Å |
| 479 | D | 63.3 | Low | 68.5 | Low | 43 Ų | 43 | 93.7 Ų | 93.7 | 23% | 0.23 | 48% | 0.479 | C | S | . | . | G | 310 helix | trans | -67.1 | -25.6 | 179.7 | -68.8 | -25.1 | 0 | 0 | 0 | 113.3 | W447 K451 K477 T481 | W447-D479 VanDerWaalsContact CD1-OD1 3.26Å; W447-D479 PolarHBondContact NE1-OD1 3.36Å; K451-D479 WeakPolarHBondContact CD-OD2 3.26Å; K451-D479 WeakPolarHBondContact CE-OD2 3.48Å; K451-D479 IonicContact NZ-OD1 2.84Å; K451-D479 IonicContact NZ-OD2 2.8Å; K451-D479 PolarHBondContact NZ-OD2 3.3Å; K477-D479 VanDerWaalsContact C-N 3.26Å; K477-D479 PolarHBondContact O-N 2.84Å; D479-T481 PolarHBondContact O-N 2.8Å |
| 480 | L | 57.3 | Low | 66.5 | Low | 144 Ų | 144 | 94.1 Ų | 94.1 | 75% | 0.754 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -74.6 | -11.1 | -177 | -68.9 | 166.8 | 0 | 0 | 0 | 112.9 | L478 | L478-L480 VanDerWaalsContact C-N 3.25Å; L478-L480 PolarHBondContact O-N 2.87Å |
| 481 | T | 54.5 | Low | 64.4 | Low | 89 Ų | 89 | 95.7 Ų | 95.7 | 55% | 0.546 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -94.1 | -6.9 | -176.2 | 31.9 | 0 | 0 | 0 | 0 | 115.2 | L478 D479 | L478-T481 PolarHBondContact O-N 2.73Å; L478-T481 PolarHBondContact O-OG1 2.77Å; D479-T481 PolarHBondContact O-N 2.8Å |
| 482 | E | 50.2 | Low | 62.4 | Low | 94 Ų | 94 | 104 Ų | 104 | 44% | 0.439 | 53% | 0.53 | S | S | . | . | trans | -123.7 | 14.8 | -167.6 | -105.4 | -175.7 | -178.5 | 0 | 0 | 116.3 | L444 N484 | L444-E482 WeakPolarHBondContact CB-OE1 3.41Å; L444-E482 HydrophobicContact CD1-CG 4.01Å; L444-E482 WeakPolarHBondContact CD1-OE1 3.46Å; E482-N484 PolarHBondContact O-N 2.81Å | ||
| 483 | S | 43.1 | Very low | 60.3 | Low | 106 Ų | 106 | 103.7 Ų | 103.7 | 74% | 0.741 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 21.6 | -172.3 | 68 | 0 | 0 | 0 | 0 | 117.4 | ||
| 484 | N | 39.5 | Very low | 58.3 | Low | 150 Ų | 150 | 101 Ų | 101 | 80% | 0.802 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | -4.6 | -173 | -91.1 | -5.6 | 0 | 0 | 0 | 118.2 | E482 | E482-N484 PolarHBondContact O-N 2.81Š|
| 485 | Q | 41.9 | Very low | 56.3 | Low | 165 Ų | 165 | 105.1 Ų | 105.1 | 77% | 0.771 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -148.7 | 143.9 | 178.6 | -65.2 | -178 | -18.9 | 0 | 0 | 110 | ||
| 486 | Y | 43.5 | Very low | 53.9 | Low | 205 Ų | 205 | 114.7 Ų | 114.7 | 80% | 0.804 | 58% | 0.576 | S | S | * | * | trans | 96.9 | 84 | 177.1 | -61.1 | -80.8 | 0 | 0 | 0 | 117.5 | ||||
| 487 | S | 45.9 | Very low | 51.9 | Low | 96 Ų | 96 | 113.7 Ų | 113.7 | 67% | 0.671 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -103 | -14.4 | 168.4 | 59.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 488 | D | 50.8 | Low | 49.8 | Very low | 136 Ų | 136 | 110.2 Ų | 110.2 | 73% | 0.727 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -108.6 | -13.9 | -161.2 | -70 | 1 | 0 | 0 | 0 | 115.8 | ||
| 489 | E | 50.2 | Low | 47.9 | Very low | 150 Ų | 150 | 114.2 Ų | 114.2 | 70% | 0.701 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -94.6 | -14.5 | 177.7 | -73.9 | -123.3 | 146.1 | 0 | 0 | 114.3 | S491 | E489-S491 VanDerWaalsContact C-N 3.3Å; E489-S491 PolarHBondContact O-N 3.41Å |
| 490 | E | 49.2 | Very low | 46.6 | Very low | 127 Ų | 127 | 118.3 Ų | 118.3 | 59% | 0.593 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.9 | -25.6 | -176.3 | -94.4 | -169.7 | 146.7 | 0 | 0 | 114 | N494 | E490-N494 PolarHBondContact O-N 3.03Å; E490-N494 PolarHBondContact O-ND2 3.02Å |
| 491 | S | 49.5 | Very low | 45.7 | Very low | 79 Ų | 79 | 113.2 Ų | 113.2 | 55% | 0.552 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -74.8 | -48.3 | -175.8 | 62.8 | 0 | 0 | 0 | 0 | 112.7 | E489 L493 | E489-S491 VanDerWaalsContact C-N 3.3Å; E489-S491 PolarHBondContact O-N 3.41Å; S491-L493 VanDerWaalsContact C-N 3.27Å; S491-L493 PolarHBondContact O-N 3.47Å |
| 492 | K | 52.6 | Low | 44.7 | Very low | 174 Ų | 174 | 112.7 Ų | 112.7 | 76% | 0.757 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.3 | -23.7 | -179.4 | -72.3 | -180 | 179.4 | 173.2 | 0 | 113.4 | ||
| 493 | L | 48.6 | Very low | 43.9 | Very low | 64 Ų | 64 | 112.8 Ų | 112.8 | 34% | 0.335 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -86.3 | -32.5 | -176.8 | -153.2 | 98 | 0 | 0 | 0 | 112.6 | M449 S491 D495 R496 L497 | M449-L493 HydrophobicContact CE-CD1 4.34Å; M449-L493 HydrophobicContact CE-CD2 3.45Å; M449-L493 VanDerWaalsContact CE-CD2 3.45Å; M449-L493 HydrophobicContact CE-CG 4.32Å; M449-L493 HydrophobicContact SD-CD2 3.25Å; M449-L493 WeakPolarHBondContact SD-CD2 3.45Å; S491-L493 VanDerWaalsContact C-N 3.27Å; S491-L493 PolarHBondContact O-N 3.47Å; L493-D495 VanDerWaalsContact C-N 3.29Å; L493-D495 PolarHBondContact O-N 3.03Å; L493-R496 PolarHBondContact O-N 3.44Å; L493-L497 HydrophobicContact CD2-CD1 4.09Å; L493-L497 HydrophobicContact CG-CD1 4.46Å; L493-L497 PolarHBondContact O-N 3.3Å |
| 494 | N | 47.3 | Very low | 43.5 | Very low | 61 Ų | 61 | 111 Ų | 111 | 33% | 0.326 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.1 | -35.7 | 173.7 | -104.6 | -39.7 | 0 | 0 | 0 | 112.3 | R452 E490 L497 N498 | R452-N494 PolarHBondContact NH1-OD1 3.34Å; R452-N494 VanDerWaalsContact NH1-OD1 3.14Å; E490-N494 PolarHBondContact O-N 3.03Å; E490-N494 PolarHBondContact O-ND2 3.02Å; N494-L497 PolarHBondContact O-N 3.27Å; N494-N498 WeakPolarHBondContact O-CB 3.37Å; N494-N498 PolarHBondContact O-N 3.02Å; N494-N498 PolarHBondContact O-ND2 2.85Å |
| 495 | D | 48.4 | Very low | 43.3 | Very low | 112 Ų | 112 | 107.9 Ų | 107.9 | 60% | 0.599 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.7 | -39.3 | 178.7 | -74.4 | -19.2 | 0 | 0 | 0 | 112.6 | L493 V499 | L493-D495 VanDerWaalsContact C-N 3.29Å; L493-D495 PolarHBondContact O-N 3.03Å; D495-V499 WeakPolarHBondContact O-CG2 3.5Å; D495-V499 PolarHBondContact O-N 3.25Å |
| 496 | R | 42.5 | Very low | 42.8 | Very low | 202 Ų | 202 | 105.9 Ų | 105.9 | 76% | 0.762 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.2 | -36.9 | 175.2 | -89.1 | -176.7 | 160.3 | -176.4 | -4.6 | 113.1 | L493 V499 Q500 | L493-R496 PolarHBondContact O-N 3.44Å; R496-V499 PolarHBondContact O-N 2.89Å; R496-Q500 PolarHBondContact O-N 3.24Å |
| 497 | L | 43.5 | Very low | 42.1 | Very low | 37 Ų | 37 | 102.4 Ų | 102.4 | 19% | 0.194 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -71.7 | -34.2 | 177.6 | -105.2 | 127.1 | 0 | 0 | 0 | 112.5 | Y453 L493 N494 V499 Q500 L501 | Y453-L497 HydrophobicContact CD1-CD2 3.82Å; Y453-L497 HydrophobicContact CE1-CD2 4.18Å; L493-L497 HydrophobicContact CD2-CD1 4.09Å; L493-L497 HydrophobicContact CG-CD1 4.46Å; L493-L497 PolarHBondContact O-N 3.3Å; N494-L497 PolarHBondContact O-N 3.27Å; L497-V499 VanDerWaalsContact C-N 3.35Å; L497-Q500 PolarHBondContact O-N 3.21Å; L497-L501 WeakPolarHBondContact O-CB 3.19Å; L497-L501 PolarHBondContact O-N 3.1Å |
| 498 | N | 41.7 | Very low | 41.2 | Very low | 73 Ų | 73 | 108 Ų | 108 | 39% | 0.39 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 173.7 | -80.2 | -28.2 | 0 | 0 | 0 | 111.8 | N494 L501 T502 | N494-N498 WeakPolarHBondContact O-CB 3.37Å; N494-N498 PolarHBondContact O-N 3.02Å; N494-N498 PolarHBondContact O-ND2 2.85Å; N498-L501 PolarHBondContact O-N 3.46Å; N498-T502 PolarHBondContact O-N 3.28Å; N498-T502 PolarHBondContact O-OG1 2.71Å; N498-T502 VanDerWaalsContact O-OG1 3.05Å |
| 499 | V | 42.5 | Very low | 40 | Very low | 92 Ų | 92 | 106.6 Ų | 106.6 | 56% | 0.558 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.2 | -41.7 | 175 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | D495 R496 L497 T502 I503 | D495-V499 WeakPolarHBondContact O-CG2 3.5Å; D495-V499 PolarHBondContact O-N 3.25Å; R496-V499 PolarHBondContact O-N 2.89Å; L497-V499 VanDerWaalsContact C-N 3.35Å; V499-T502 PolarHBondContact O-N 3.4Å; V499-I503 HydrophobicContact CG1-CD1 4.35Å; V499-I503 WeakPolarHBondContact O-CG1 3.45Å; V499-I503 PolarHBondContact O-N 3.04Å |
| 500 | Q | 35.5 | Very low | 38.9 | Very low | 128 Ų | 128 | 105.5 Ų | 105.5 | 60% | 0.598 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.1 | -35.6 | 174.1 | -77.8 | -173.3 | -14 | 0 | 0 | 112.7 | R496 L497 I503 V504 | R496-Q500 PolarHBondContact O-N 3.24Å; L497-Q500 PolarHBondContact O-N 3.21Å; Q500-I503 PolarHBondContact O-N 3.44Å; Q500-V504 WeakPolarHBondContact O-CG2 3.35Å; Q500-V504 PolarHBondContact O-N 3.31Å |
| 501 | L | 38 | Very low | 37.7 | Very low | 38 Ų | 38 | 104.7 Ų | 104.7 | 20% | 0.199 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 175.1 | -116.3 | 95 | 0 | 0 | 0 | 111.6 | L497 N498 I503 V504 T505 | L497-L501 WeakPolarHBondContact O-CB 3.19Å; L497-L501 PolarHBondContact O-N 3.1Å; N498-L501 PolarHBondContact O-N 3.46Å; L501-I503 VanDerWaalsContact C-N 3.28Å; L501-I503 PolarHBondContact O-N 3.46Å; L501-V504 PolarHBondContact O-N 3.44Å; L501-T505 WeakPolarHBondContact O-CB 3.23Å; L501-T505 WeakPolarHBondContact O-CG2 3.27Å; L501-T505 PolarHBondContact O-N 3.26Å; L501-T505 PolarHBondContact O-OG1 3.13Å |
| 502 | T | 34 | Very low | 36.5 | Very low | 78 Ų | 78 | 110.2 Ų | 110.2 | 48% | 0.479 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.6 | -37.5 | 175.8 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | N498 V499 N506 | N498-T502 PolarHBondContact O-N 3.28Å; N498-T502 PolarHBondContact O-OG1 2.71Å; N498-T502 VanDerWaalsContact O-OG1 3.05Å; V499-T502 PolarHBondContact O-N 3.4Å; T502-N506 WeakPolarHBondContact O-CB 3.41Å; T502-N506 PolarHBondContact O-N 3.4Å; T502-N506 VanDerWaalsContact O-N 3.13Å; T502-N506 PolarHBondContact O-ND2 2.74Å; T502-N506 VanDerWaalsContact O-ND2 3.17Å |
| 503 | I | 34 | Very low | 35.1 | Very low | 95 Ų | 95 | 108.9 Ų | 108.9 | 49% | 0.487 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.9 | -46 | 176.3 | -65.1 | 166.5 | 0 | 0 | 0 | 110.5 | V499 Q500 L501 N506 M507 | V499-I503 HydrophobicContact CG1-CD1 4.35Å; V499-I503 WeakPolarHBondContact O-CG1 3.45Å; V499-I503 PolarHBondContact O-N 3.04Å; Q500-I503 PolarHBondContact O-N 3.44Å; L501-I503 VanDerWaalsContact C-N 3.28Å; L501-I503 PolarHBondContact O-N 3.46Å; I503-N506 PolarHBondContact O-N 3.28Å; I503-M507 HydrophobicContact CG2-CE 4.11Å; I503-M507 VanDerWaalsContact O-CG 3.3Å; I503-M507 WeakPolarHBondContact O-CG 3.13Å; I503-M507 PolarHBondContact O-N 3.35Å |
| 504 | V | 34.1 | Very low | 33.9 | Very low | 68 Ų | 68 | 113.8 Ų | 113.8 | 41% | 0.412 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.4 | -34.5 | -178.4 | 175.2 | 0 | 0 | 0 | 0 | 112.8 | Q500 L501 | Q500-V504 WeakPolarHBondContact O-CG2 3.35Å; Q500-V504 PolarHBondContact O-N 3.31Å; L501-V504 PolarHBondContact O-N 3.44Å |
| 505 | T | 35.4 | Very low | 32.9 | Very low | 86 Ų | 86 | 121.6 Ų | 121.6 | 53% | 0.528 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -77.8 | -21.9 | 175.3 | 55 | 0 | 0 | 0 | 0 | 113.4 | L501 | L501-T505 WeakPolarHBondContact O-CB 3.23Å; L501-T505 WeakPolarHBondContact O-CG2 3.27Å; L501-T505 PolarHBondContact O-N 3.26Å; L501-T505 PolarHBondContact O-OG1 3.13Å |
| 506 | N | 32.6 | Very low | 31.7 | Very low | 122 Ų | 122 | 120.1 Ų | 120.1 | 65% | 0.652 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -90.1 | -14.1 | 173.5 | -71.6 | -19.2 | 0 | 0 | 0 | 113.2 | T502 I503 R508 | T502-N506 WeakPolarHBondContact O-CB 3.41Å; T502-N506 PolarHBondContact O-N 3.4Å; T502-N506 VanDerWaalsContact O-N 3.13Å; T502-N506 PolarHBondContact O-ND2 2.74Å; T502-N506 VanDerWaalsContact O-ND2 3.17Å; I503-N506 PolarHBondContact O-N 3.28Å; N506-R508 PolarHBondContact O-N 3.06Å |
| 507 | M | 28.3 | Very low | 31.1 | Very low | 132 Ų | 132 | 117.1 Ų | 117.1 | 65% | 0.65 | 60% | 0.6 | S | S | * | * | trans | -74.6 | 79.4 | 163.3 | -71.7 | -152.8 | -80.6 | 0 | 0 | 109 | I503 | I503-M507 HydrophobicContact CG2-CE 4.11Å; I503-M507 VanDerWaalsContact O-CG 3.3Å; I503-M507 WeakPolarHBondContact O-CG 3.13Å; I503-M507 PolarHBondContact O-N 3.35Å | ||
| 508 | R | 26.2 | Very low | 30.2 | Very low | 214 Ų | 214 | 119 Ų | 119 | 81% | 0.808 | 61% | 0.612 | S | S | * | * | trans | -46.2 | 146.9 | 152.9 | -82.1 | -176.2 | 177.6 | -179.1 | -0.2 | 107.7 | N506 V510 | N506-R508 PolarHBondContact O-N 3.06Å; R508-V510 PolarHBondContact O-N 3.32Å | ||
| 509 | P | 26.4 | Very low | 29.5 | Very low | 107 Ų | 107 | 119.1 Ų | 119.1 | 70% | 0.695 | 61% | 0.613 | S | S | * | * | trans | -50.6 | 127.2 | 174.2 | -5.2 | 15 | 0 | 0 | 0 | 106.1 | I511 | P509-I511 HydrophobicContact CB-CG1 4.27Å; P509-I511 PolarHBondContact O-N 3.4Å | ||
| 510 | V | 26 | Very low | 28.8 | Very low | 126 Ų | 126 | 122.5 Ų | 122.5 | 76% | 0.764 | 63% | 0.627 | S | S | * | * | trans | -64.2 | 83.3 | 157.7 | 179.2 | 0 | 0 | 0 | 0 | 103.6 | R508 F512 | R508-V510 PolarHBondContact O-N 3.32Å; V510-F512 PolarHBondContact O-N 3.18Å | ||
| 511 | I | 24.6 | Very low | 28.8 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 57% | 0.569 | 64% | 0.641 | S | S | * | * | trans | -54.2 | 106.9 | 155.1 | -60.6 | 174.5 | 0 | 0 | 0 | 100.8 | P509 H513 | P509-I511 HydrophobicContact CB-CG1 4.27Å; P509-I511 PolarHBondContact O-N 3.4Å; I511-H513 PolarHBondContact O-N 3.38Å | ||
| 512 | F | 24.1 | Very low | 28.4 | Very low | 194 Ų | 194 | 126.6 Ų | 126.6 | 85% | 0.851 | 66% | 0.663 | S | S | * | * | trans | -54.1 | 92.8 | 151.1 | -86.2 | -88 | 0 | 0 | 0 | 103.7 | V510 E514 | V510-F512 PolarHBondContact O-N 3.18Å; F512-E514 VanDerWaalsContact C-N 3.3Å; F512-E514 PolarHBondContact O-N 3.32Å | ||
| 513 | H | 24.4 | Very low | 28.1 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 68% | 0.676 | 67% | 0.672 | S | S | * | * | trans | -55.4 | 110.9 | 161.4 | -94.6 | -78.6 | 0 | 0 | 0 | 103 | I511 F515 | I511-H513 PolarHBondContact O-N 3.38Å; H513-F515 PolarHBondContact O-N 3.01Å | ||
| 514 | E | 23.4 | Very low | 27.7 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | trans | -40 | 120.4 | 149.1 | -75.7 | -177.9 | 143.3 | 0 | 0 | 105.7 | F512 S516 | F512-E514 VanDerWaalsContact C-N 3.3Å; F512-E514 PolarHBondContact O-N 3.32Å; E514-S516 PolarHBondContact O-N 3.01Å; E514-S516 PolarHBondContact O-OG 3.14Å | ||
| 515 | F | 24.5 | Very low | 27.4 | Very low | 224 Ų | 224 | 134.8 Ų | 134.8 | 98% | 0.982 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -55.8 | 87.6 | 171.7 | -88.8 | -88.4 | 0 | 0 | 0 | 107.8 | H513 | H513-F515 PolarHBondContact O-N 3.01Š|
| 516 | S | 25.1 | Very low | 26.9 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 57% | 0.573 | 71% | 0.709 | S | S | * | * | trans | -123.2 | 97.3 | 163.3 | 45.8 | 0 | 0 | 0 | 0 | 103.9 | E514 | E514-S516 PolarHBondContact O-N 3.01Å; E514-S516 PolarHBondContact O-OG 3.14Å | ||
| 517 | N | 28 | Very low | 26.5 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | 60.5 | 105.8 | 152.8 | -67.3 | -16.4 | 0 | 0 | 0 | 118.2 | ||||
| 518 | T | 26.5 | Very low | 26.3 | Very low | 75 Ų | 75 | 139.4 Ų | 139.4 | 46% | 0.46 | 72% | 0.718 | S | S | . | * | 75.6 | 137.2 | 116.2 | 69.9 | 0 | 0 | 0 | 0 | 120.3 | H73 | H73-T518 HydrophobicContact CB-CG2 3.53Å; H73-T518 WeakPolarHBondContact CD2-CB 3.48Å; H73-T518 WeakPolarHBondContact ND1-CG2 3.34Å; H73-T518 VanDerWaalsContact NE2-CA 3.28Å; H73-T518 WeakPolarHBondContact NE2-CA 3.29Å | |||
| 519 | D | 26.8 | Very low | 26.4 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 41% | 0.406 | 71% | 0.711 | S | S | . | * | trans | 77.7 | 106.6 | 168.2 | -59.7 | 15 | 0 | 0 | 0 | 118.3 | R72 H73 | R72-D519 WeakPolarHBondContact CA-OD1 3.49Å; H73-D519 PolarHBondContact CD2-N 3.12Å; H73-D519 IonicContact CD2-OD1 2.74Å; H73-D519 PolarHBondContact CD2-OD1 3.35Å; H73-D519 IonicContact CG-OD1 3.19Å; H73-D519 PolarHBondContact NE2-N 2.8Å; H73-D519 VanDerWaalsContact NE2-N 3.15Å; H73-D519 IonicContact NE2-OD1 3.39Å | ||
| 520 | L | 27.3 | Very low | 26.3 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 86% | 0.859 | 71% | 0.712 | S | S | * | * | 176.7 | 136 | 105.6 | -89.2 | 158.5 | 0 | 0 | 0 | 112.9 | |||||
| 521 | S | 35.7 | Very low | 26.4 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | trans | 62 | 0 | 167.9 | 71.9 | 0 | 0 | 0 | 0 | 118.5 | W67 | W67-S521 WeakPolarHBondContact CZ2-OXT 3.3Å; W67-S521 PolarHBondContact NE1-OXT 3.06Å |
Retrieved 521 of 521 residues in 121.2 ms
(Link to these results)