| 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 | 52.3 | Low | 75.8 | Confident | 199 Ų | 199 | 148.4 Ų | 148.4 | 98% | 0.98 | 75% | 0.745 | S | S | * | * | 0 | 139.9 | 0 | -68.3 | -61.5 | -178.5 | 0 | 0 | 107.9 | I3 | M1-I3 PolarHBondContact O-N 2.9Š| |||
| 2 | P | 61.9 | Low | 76.8 | Confident | 82 Ų | 82 | 146.2 Ų | 146.2 | 53% | 0.532 | 74% | 0.737 | S | S | . | * | trans | -66.7 | 131.6 | 178.4 | 25.5 | -28.5 | 0 | 0 | 0 | 109.5 | S4 V5 | P2-S4 PolarHBondContact O-N 3.03Å; P2-V5 HydrophobicContact CG-CG2 3.99Å; P2-V5 PolarHBondContact O-N 3.12Å | ||
| 3 | I | 67.5 | Low | 77.7 | Confident | 157 Ų | 157 | 139.9 Ų | 139.9 | 81% | 0.805 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.7 | -19.7 | -177.2 | -71.7 | 161.4 | 0 | 0 | 0 | 113.3 | M1 V5 | M1-I3 PolarHBondContact O-N 2.9Å; I3-V5 VanDerWaalsContact C-N 3.25Å; I3-V5 PolarHBondContact O-N 3.45Å |
| 4 | S | 71.2 | Confident | 78.6 | Confident | 84 Ų | 84 | 133.3 Ų | 133.3 | 59% | 0.587 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -20.3 | 175.6 | 52.9 | 0 | 0 | 0 | 0 | 114.7 | P2 | P2-S4 PolarHBondContact O-N 3.03Š|
| 5 | V | 77.1 | Confident | 79.3 | Confident | 91 Ų | 91 | 130.3 Ų | 130.3 | 55% | 0.552 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -86.3 | -32.9 | -177.4 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | P2 I3 R7 | P2-V5 HydrophobicContact CG-CG2 3.99Å; P2-V5 PolarHBondContact O-N 3.12Å; I3-V5 VanDerWaalsContact C-N 3.25Å; I3-V5 PolarHBondContact O-N 3.45Å; V5-R7 VanDerWaalsContact C-N 3.34Å; V5-R7 PolarHBondContact O-N 3.12Å |
| 6 | D | 81.6 | Confident | 79.9 | Confident | 126 Ų | 126 | 134.7 Ų | 134.7 | 67% | 0.674 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -87.1 | -0.6 | -171.5 | -57.1 | -32.5 | 0 | 0 | 0 | 113.7 | ||
| 7 | R | 83 | Confident | 80.3 | Confident | 186 Ų | 186 | 133 Ų | 133 | 70% | 0.702 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -81.8 | 139.2 | 178.8 | 78.5 | 179.5 | -175 | -174.9 | -1.3 | 112.2 | V5 R9 | V5-R7 VanDerWaalsContact C-N 3.34Å; V5-R7 PolarHBondContact O-N 3.12Å; R7-R9 PolarHBondContact O-N 3.07Å |
| 8 | E | 80.3 | Confident | 80.5 | Confident | 189 Ų | 189 | 129.4 Ų | 129.4 | 88% | 0.883 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 130.5 | 175.2 | -153.2 | 175 | -167.8 | 0 | 0 | 111.2 | ||
| 9 | R | 85.4 | Confident | 80.8 | Confident | 211 Ų | 211 | 131.5 Ų | 131.5 | 80% | 0.796 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 134.8 | -176.5 | -70 | -176.7 | 177.2 | 171.1 | -1.2 | 111 | R7 | R7-R9 PolarHBondContact O-N 3.07Š|
| 10 | R | 85.4 | Confident | 81 | Confident | 191 Ų | 191 | 129.6 Ų | 129.6 | 72% | 0.721 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 129.7 | 175.1 | -67.9 | -179.3 | -78.2 | 176.1 | -3.6 | 110.9 | N12 A13 | R10-N12 PolarHBondContact O-N 2.8Å; R10-A13 HydrophobicContact CB-CB 4.05Å; R10-A13 WeakPolarHBondContact O-CB 3.46Å; R10-A13 PolarHBondContact O-N 2.96Å; R10-A13 VanDerWaalsContact O-N 3.12Å |
| 11 | A | 88 | Confident | 81.1 | Confident | 116 Ų | 116 | 127.8 Ų | 127.8 | 96% | 0.959 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -26.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 12 | N | 87.7 | Confident | 82.3 | Confident | 122 Ų | 122 | 123.4 Ų | 123.4 | 65% | 0.652 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 4.2 | 179.2 | 61.2 | -7.6 | 0 | 0 | 0 | 113.5 | R10 G14 A15 | R10-N12 PolarHBondContact O-N 2.8Å; N12-G14 PolarHBondContact O-N 2.73Å; N12-A15 PolarHBondContact O-N 2.93Å |
| 13 | A | 88.9 | Confident | 83.1 | Confident | 65 Ų | 65 | 124.4 Ų | 124.4 | 54% | 0.537 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.5 | 124.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | R10 | R10-A13 HydrophobicContact CB-CB 4.05Å; R10-A13 WeakPolarHBondContact O-CB 3.46Å; R10-A13 PolarHBondContact O-N 2.96Å; R10-A13 VanDerWaalsContact O-N 3.12Å |
| 14 | G | 90 | Very high | 83.3 | Confident | 47 Ų | 47 | 123.6 Ų | 123.6 | 49% | 0.485 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 79.4 | 11.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | N12 R16 M17 | N12-G14 PolarHBondContact O-N 2.73Å; G14-R16 PolarHBondContact O-N 3.22Å; G14-M17 WeakPolarHBondContact O-CB 3.41Å; G14-M17 PolarHBondContact O-N 2.85Å |
| 15 | A | 89.1 | Confident | 83.2 | Confident | 88 Ų | 88 | 126.7 Ų | 126.7 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -26.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N12 | N12-A15 PolarHBondContact O-N 2.93Š|
| 16 | R | 88.4 | Confident | 82.6 | Confident | 201 Ų | 201 | 126.8 Ų | 126.8 | 76% | 0.758 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -2.2 | 175.8 | -66.8 | -176.1 | 175.9 | 177.8 | -2.5 | 114.2 | G14 A18 R19 L20 | G14-R16 PolarHBondContact O-N 3.22Å; R16-A18 VanDerWaalsContact C-N 3.33Å; R16-A18 PolarHBondContact O-N 3.14Å; R16-R19 WeakPolarHBondContact O-CB 3.41Å; R16-R19 PolarHBondContact O-N 3.18Å; R16-R19 VanDerWaalsContact O-N 3.11Å; R16-L20 PolarHBondContact O-N 3.24Å |
| 17 | M | 87.6 | Confident | 82.1 | Confident | 106 Ų | 106 | 125.1 Ų | 125.1 | 52% | 0.522 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.2 | -38.2 | -175.9 | -80.8 | -64.6 | -57.9 | 0 | 0 | 112.2 | G14 R19 L20 L21 | G14-M17 WeakPolarHBondContact O-CB 3.41Å; G14-M17 PolarHBondContact O-N 2.85Å; M17-R19 VanDerWaalsContact C-N 3.29Å; M17-R19 PolarHBondContact O-N 3.35Å; M17-L20 PolarHBondContact O-N 3.01Å; M17-L21 WeakPolarHBondContact O-CB 3.42Å; M17-L21 WeakPolarHBondContact O-CG 3.39Å; M17-L21 PolarHBondContact O-N 3.12Å |
| 18 | A | 83.8 | Confident | 81.9 | Confident | 69 Ų | 69 | 123.6 Ų | 123.6 | 57% | 0.57 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.5 | -37.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | R16 N22 | R16-A18 VanDerWaalsContact C-N 3.33Å; R16-A18 PolarHBondContact O-N 3.14Å; A18-N22 WeakPolarHBondContact O-CB 3.48Å; A18-N22 PolarHBondContact O-N 3.28Å; A18-N22 VanDerWaalsContact O-N 3.16Å; A18-N22 PolarHBondContact O-OD1 3Å |
| 19 | R | 86 | Confident | 82 | Confident | 169 Ų | 169 | 120.4 Ų | 120.4 | 64% | 0.638 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69 | -42.9 | 175.6 | -178.1 | 175.8 | 170.5 | 165.9 | 1.2 | 111.4 | R16 M17 N22 E23 | R16-R19 WeakPolarHBondContact O-CB 3.41Å; R16-R19 PolarHBondContact O-N 3.18Å; R16-R19 VanDerWaalsContact O-N 3.11Å; M17-R19 VanDerWaalsContact C-N 3.29Å; M17-R19 PolarHBondContact O-N 3.35Å; R19-N22 PolarHBondContact O-N 3.45Å; R19-E23 HydrophobicContact CG-CG 4.39Å; R19-E23 IonicContact CZ-OE1 3.39Å; R19-E23 IonicContact NE-OE1 2.74Å; R19-E23 PolarHBondContact NE-OE1 3.23Å; R19-E23 IonicContact NH2-OE1 3.13Å; R19-E23 PolarHBondContact NH2-OE1 2.97Å; R19-E23 VanDerWaalsContact NH2-OE1 3.13Å; R19-E23 WeakPolarHBondContact O-CB 3.37Å; R19-E23 WeakPolarHBondContact O-CG 3.41Å; R19-E23 PolarHBondContact O-N 3.02Å |
| 20 | L | 85.1 | Confident | 81.8 | Confident | 93 Ų | 93 | 116.3 Ų | 116.3 | 49% | 0.487 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.1 | -42.2 | 177.9 | -103.7 | 166.9 | 0 | 0 | 0 | 112.6 | R16 M17 N22 E23 E24 | R16-L20 PolarHBondContact O-N 3.24Å; M17-L20 PolarHBondContact O-N 3.01Å; L20-N22 VanDerWaalsContact C-N 3.34Å; L20-E23 PolarHBondContact O-N 3.49Å; L20-E24 PolarHBondContact O-N 3.44Å |
| 21 | L | 83.6 | Confident | 81.7 | Confident | 91 Ų | 91 | 110 Ų | 110 | 48% | 0.476 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.6 | -39.6 | 176 | -73.1 | 169.7 | 0 | 0 | 0 | 111.6 | M17 E24 | M17-L21 WeakPolarHBondContact O-CB 3.42Å; M17-L21 WeakPolarHBondContact O-CG 3.39Å; M17-L21 PolarHBondContact O-N 3.12Å; L21-E24 WeakPolarHBondContact O-CB 3.48Å; L21-E24 PolarHBondContact O-N 3.22Å |
| 22 | N | 77 | Confident | 81.3 | Confident | 108 Ų | 108 | 109.9 Ų | 109.9 | 58% | 0.578 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.1 | -32.8 | 175.2 | -68.5 | 3.1 | 0 | 0 | 0 | 112.5 | A18 R19 L20 E24 | A18-N22 WeakPolarHBondContact O-CB 3.48Å; A18-N22 PolarHBondContact O-N 3.28Å; A18-N22 VanDerWaalsContact O-N 3.16Å; A18-N22 PolarHBondContact O-OD1 3Å; R19-N22 PolarHBondContact O-N 3.45Å; L20-N22 VanDerWaalsContact C-N 3.34Å; N22-E24 VanDerWaalsContact C-N 3.27Å |
| 23 | E | 79.7 | Confident | 81.1 | Confident | 102 Ų | 102 | 106.7 Ų | 106.7 | 48% | 0.477 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -74 | -19.6 | 174.1 | -76 | 172.1 | 179.3 | 0 | 0 | 112.3 | R19 L20 E25 | R19-E23 HydrophobicContact CG-CG 4.39Å; R19-E23 IonicContact CZ-OE1 3.39Å; R19-E23 IonicContact NE-OE1 2.74Å; R19-E23 PolarHBondContact NE-OE1 3.23Å; R19-E23 IonicContact NH2-OE1 3.13Å; R19-E23 PolarHBondContact NH2-OE1 2.97Å; R19-E23 VanDerWaalsContact NH2-OE1 3.13Å; R19-E23 WeakPolarHBondContact O-CB 3.37Å; R19-E23 WeakPolarHBondContact O-CG 3.41Å; R19-E23 PolarHBondContact O-N 3.02Å; L20-E23 PolarHBondContact O-N 3.49Å; E23-E25 VanDerWaalsContact C-N 3.35Å |
| 24 | E | 71.4 | Confident | 81 | Confident | 140 Ų | 140 | 113.7 Ų | 113.7 | 65% | 0.654 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71.6 | -30.4 | 174.8 | -126.5 | 177.6 | 179.9 | 0 | 0 | 112.2 | L20 L21 N22 | L20-E24 PolarHBondContact O-N 3.44Å; L21-E24 WeakPolarHBondContact O-CB 3.48Å; L21-E24 PolarHBondContact O-N 3.22Å; N22-E24 VanDerWaalsContact C-N 3.27Å |
| 25 | E | 69.3 | Low | 80.6 | Confident | 150 Ų | 150 | 114.3 Ų | 114.3 | 70% | 0.701 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -90.6 | 97.8 | 168.7 | -65.3 | -179.9 | -176.4 | 0 | 0 | 107.8 | E23 D27 | E23-E25 VanDerWaalsContact C-N 3.35Å; E25-D27 PolarHBondContact O-N 2.78Å |
| 26 | E | 62.7 | Low | 80.4 | Confident | 93 Ų | 93 | 110.8 Ų | 110.8 | 44% | 0.435 | 54% | 0.544 | S | S | . | . | trans | -54.5 | 112.2 | 173.1 | -72.5 | 178.5 | 172.9 | 0 | 0 | 108.9 | E28 R179 T182 | E26-E28 VanDerWaalsContact C-N 3.29Å; E26-E28 PolarHBondContact O-N 3.14Å; E26-R179 WeakPolarHBondContact OE1-CG 3.1Å; E26-R179 IonicContact OE1-NE 3.88Å; E26-T182 PolarHBondContact OE2-OG1 2.86Å; E26-T182 VanDerWaalsContact OE2-OG1 3.11Å | ||
| 27 | D | 71.3 | Confident | 80.2 | Confident | 91 Ų | 91 | 108 Ų | 108 | 49% | 0.487 | 54% | 0.537 | S | S | . | . | trans | -64.8 | 90 | -179.4 | -83.2 | -35 | 0 | 0 | 0 | 109.4 | E25 F29 Y30 S31 | E25-D27 PolarHBondContact O-N 2.78Å; D27-F29 PolarHBondContact O-N 3.04Å; D27-Y30 HydrophobicContact CB-CD2 3.61Å; D27-Y30 HydrophobicContact CB-CE2 4.49Å; D27-Y30 HydrophobicContact CB-CG 4.44Å; D27-Y30 PolarHBondContact O-N 3.5Å; D27-Y30 WeakPolarHBondContact OD2-CD2 3.36Å; D27-S31 PolarHBondContact O-N 2.94Å | ||
| 28 | E | 79 | Confident | 80.1 | Confident | 154 Ų | 154 | 107.6 Ų | 107.6 | 72% | 0.72 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -50.2 | -24.2 | 172.8 | -66.8 | -178.9 | 166.5 | 0 | 0 | 112 | E26 S31 N32 | E26-E28 VanDerWaalsContact C-N 3.29Å; E26-E28 PolarHBondContact O-N 3.14Å; E28-S31 WeakPolarHBondContact CA-OG 3.42Å; E28-S31 PolarHBondContact O-OG 2.81Å; E28-S31 VanDerWaalsContact O-OG 3.13Å; E28-N32 VanDerWaalsContact O-CB 3.31Å; E28-N32 WeakPolarHBondContact O-CB 3.06Å; E28-N32 VanDerWaalsContact O-CG 3.3Å; E28-N32 PolarHBondContact O-N 2.63Å; E28-N32 PolarHBondContact O-ND2 3.02Å |
| 29 | F | 82.5 | Confident | 80.1 | Confident | 122 Ų | 122 | 113.4 Ų | 113.4 | 54% | 0.535 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.4 | -52.1 | 172.7 | -175.4 | -88 | 0 | 0 | 0 | 112 | D27 I33 | D27-F29 PolarHBondContact O-N 3.04Å; F29-I33 HydrophobicContact CD1-CD1 4.12Å; F29-I33 HydrophobicContact CD2-CD1 3.26Å; F29-I33 HydrophobicContact CD2-CG1 4.41Å; F29-I33 HydrophobicContact CE1-CD1 3.97Å; F29-I33 HydrophobicContact CE2-CD1 3.1Å; F29-I33 HydrophobicContact CE2-CG1 4.49Å; F29-I33 HydrophobicContact CG-CD1 3.79Å; F29-I33 HydrophobicContact CZ-CD1 3.47Å; F29-I33 VanDerWaalsContact CZ-CD1 3.47Å; F29-I33 VanDerWaalsContact O-CB 3.26Å; F29-I33 WeakPolarHBondContact O-CB 3.38Å; F29-I33 VanDerWaalsContact O-CG1 3.27Å; F29-I33 WeakPolarHBondContact O-CG1 3.28Å; F29-I33 PolarHBondContact O-N 3.16Å |
| 30 | Y | 81.7 | Confident | 80 | Confident | 125 Ų | 125 | 111.6 Ų | 111.6 | 49% | 0.49 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -78.9 | -19.9 | -176.8 | -72.4 | -71 | 0 | 0 | 0 | 113.1 | D27 G36 F37 | D27-Y30 HydrophobicContact CB-CD2 3.61Å; D27-Y30 HydrophobicContact CB-CE2 4.49Å; D27-Y30 HydrophobicContact CB-CG 4.44Å; D27-Y30 PolarHBondContact O-N 3.5Å; D27-Y30 WeakPolarHBondContact OD2-CD2 3.36Å; Y30-G36 CarbonylContact O-C 3.59Å; Y30-G36 WeakPolarHBondContact O-CA 3.45Å; Y30-F37 AromaticContact CD1-CD2 3.94Å; Y30-F37 HydrophobicContact CD1-CD2 3.94Å; Y30-F37 HydrophobicContact CD1-CE2 4.24Å; Y30-F37 HydrophobicContact CD1-CG 4.4Å; Y30-F37 PolarHBondContact O-N 2.95Å |
| 31 | S | 82 | Confident | 79.9 | Confident | 58 Ų | 58 | 117.1 Ų | 117.1 | 41% | 0.406 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -78.2 | -27.9 | 173 | 69.4 | 0 | 0 | 0 | 0 | 113.2 | D27 E28 G36 | D27-S31 PolarHBondContact O-N 2.94Å; E28-S31 WeakPolarHBondContact CA-OG 3.42Å; E28-S31 PolarHBondContact O-OG 2.81Å; E28-S31 VanDerWaalsContact O-OG 3.13Å; S31-G36 WeakPolarHBondContact O-CA 3.04Å |
| 32 | N | 79.9 | Confident | 79.9 | Confident | 114 Ų | 114 | 121.6 Ų | 121.6 | 61% | 0.61 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -109.6 | -29.5 | -170.4 | -64.8 | -15.1 | 0 | 0 | 0 | 113.9 | E28 | E28-N32 VanDerWaalsContact O-CB 3.31Å; E28-N32 WeakPolarHBondContact O-CB 3.06Å; E28-N32 VanDerWaalsContact O-CG 3.3Å; E28-N32 PolarHBondContact O-N 2.63Å; E28-N32 PolarHBondContact O-ND2 3.02Å |
| 33 | I | 84.4 | Confident | 80.5 | Confident | 55 Ų | 55 | 122.8 Ų | 122.8 | 28% | 0.282 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -80.9 | 135.2 | -175.5 | -62.7 | -175.1 | 0 | 0 | 0 | 110.1 | F29 G35 G36 | F29-I33 HydrophobicContact CD1-CD1 4.12Å; F29-I33 HydrophobicContact CD2-CD1 3.26Å; F29-I33 HydrophobicContact CD2-CG1 4.41Å; F29-I33 HydrophobicContact CE1-CD1 3.97Å; F29-I33 HydrophobicContact CE2-CD1 3.1Å; F29-I33 HydrophobicContact CE2-CG1 4.49Å; F29-I33 HydrophobicContact CG-CD1 3.79Å; F29-I33 HydrophobicContact CZ-CD1 3.47Å; F29-I33 VanDerWaalsContact CZ-CD1 3.47Å; F29-I33 VanDerWaalsContact O-CB 3.26Å; F29-I33 WeakPolarHBondContact O-CB 3.38Å; F29-I33 VanDerWaalsContact O-CG1 3.27Å; F29-I33 WeakPolarHBondContact O-CG1 3.28Å; F29-I33 PolarHBondContact O-N 3.16Å; I33-G35 VanDerWaalsContact C-N 3.26Å; I33-G35 PolarHBondContact O-N 2.72Å; I33-G36 PolarHBondContact O-N 2.78Å |
| 34 | Y | 86.2 | Confident | 81 | Confident | 211 Ų | 211 | 121.6 Ų | 121.6 | 83% | 0.827 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | 60.8 | 23.5 | -177.2 | -49.7 | -55.7 | 0 | 0 | 0 | 115.8 | F37 | Y34-F37 AromaticContact CD2-CE2 4Å; Y34-F37 HydrophobicContact CD2-CE2 4Å; Y34-F37 HydrophobicContact CD2-CZ 4.25Å |
| 35 | G | 82.9 | Confident | 81.9 | Confident | 61 Ų | 61 | 122.2 Ų | 122.2 | 63% | 0.629 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | 96.5 | -6.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I33 | I33-G35 VanDerWaalsContact C-N 3.26Å; I33-G35 PolarHBondContact O-N 2.72Å |
| 36 | G | 83.1 | Confident | 82.9 | Confident | 14 Ų | 14 | 124.6 Ų | 124.6 | 14% | 0.144 | 62% | 0.623 | C | S | . | * | trans | 94.6 | 136 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y30 S31 I33 T38 | Y30-G36 CarbonylContact O-C 3.59Å; Y30-G36 WeakPolarHBondContact O-CA 3.45Å; S31-G36 WeakPolarHBondContact O-CA 3.04Å; I33-G36 PolarHBondContact O-N 2.78Å; G36-T38 PolarHBondContact O-N 3.3Å | ||
| 37 | F | 86 | Confident | 84.1 | Confident | 141 Ų | 141 | 128 Ų | 128 | 62% | 0.618 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -84.7 | 26.6 | 178.1 | -79.4 | -98.4 | 0 | 0 | 0 | 112.6 | Y30 Y34 | Y30-F37 AromaticContact CD1-CD2 3.94Å; Y30-F37 HydrophobicContact CD1-CD2 3.94Å; Y30-F37 HydrophobicContact CD1-CE2 4.24Å; Y30-F37 HydrophobicContact CD1-CG 4.4Å; Y30-F37 PolarHBondContact O-N 2.95Å; Y34-F37 AromaticContact CD2-CE2 4Å; Y34-F37 HydrophobicContact CD2-CE2 4Å; Y34-F37 HydrophobicContact CD2-CZ 4.25Å |
| 38 | T | 84 | Confident | 84.7 | Confident | 98 Ų | 98 | 128.4 Ų | 128.4 | 60% | 0.601 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -84.5 | 139.3 | 174.7 | 47.2 | 0 | 0 | 0 | 0 | 109.9 | G36 E40 | G36-T38 PolarHBondContact O-N 3.3Å; T38-E40 PolarHBondContact O-N 2.84Å |
| 39 | E | 83.9 | Confident | 85 | Confident | 192 Ų | 192 | 129.4 Ų | 129.4 | 90% | 0.897 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 120.9 | 173.9 | -65.3 | 178.4 | 174.8 | 0 | 0 | 109.4 | ||
| 40 | E | 84.7 | Confident | 84.8 | Confident | 130 Ų | 130 | 128.9 Ų | 128.9 | 61% | 0.607 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 140.4 | 175.6 | -62.3 | -172.8 | 167.8 | 0 | 0 | 109.8 | T38 E42 D43 | T38-E40 PolarHBondContact O-N 2.84Å; E40-E42 PolarHBondContact O-N 3.17Å; E40-D43 HydrophobicContact CB-CB 4.39Å; E40-D43 PolarHBondContact O-N 2.87Å |
| 41 | E | 82.6 | Confident | 84.4 | Confident | 209 Ų | 209 | 128.5 Ų | 128.5 | 98% | 0.977 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -16.3 | -176.2 | -65.3 | -177.7 | 173.3 | 0 | 0 | 113.6 | ||
| 42 | E | 84.3 | Confident | 84.2 | Confident | 186 Ų | 186 | 132.1 Ų | 132.1 | 87% | 0.869 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | 28.8 | -179.8 | -64.3 | -176.1 | 170.4 | 0 | 0 | 112.8 | E40 A44 | E40-E42 PolarHBondContact O-N 3.17Å; E42-A44 PolarHBondContact O-N 3.21Å |
| 43 | D | 89.4 | Confident | 84.2 | Confident | 132 Ų | 132 | 135 Ų | 135 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | -83.2 | 91.9 | 176.3 | -168.1 | 19.4 | 0 | 0 | 0 | 111.7 | E40 | E40-D43 HydrophobicContact CB-CB 4.39Å; E40-D43 PolarHBondContact O-N 2.87Å | ||
| 44 | A | 89.2 | Confident | 84.1 | Confident | 77 Ų | 77 | 139.3 Ų | 139.3 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 147.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E42 Y46 | E42-A44 PolarHBondContact O-N 3.21Å; A44-Y46 PolarHBondContact O-N 2.84Å |
| 45 | D | 90.2 | Very high | 83.8 | Confident | 153 Ų | 153 | 135.2 Ų | 135.2 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 134.4 | 176.5 | -72.3 | -31.6 | 0 | 0 | 0 | 112.1 | Q47 | D45-Q47 PolarHBondContact O-N 3.07Å; D45-Q47 VanDerWaalsContact O-N 3.17Å |
| 46 | Y | 91 | Very high | 83.7 | Confident | 200 Ų | 200 | 137.2 Ų | 137.2 | 78% | 0.784 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -54 | 120.5 | -179.7 | 175.1 | -99.2 | 0 | 0 | 0 | 112 | A44 | A44-Y46 PolarHBondContact O-N 2.84Š|
| 47 | Q | 87.7 | Confident | 83.7 | Confident | 166 Ų | 166 | 142.2 Ų | 142.2 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 117.9 | 171.2 | -62.5 | -175 | 6 | 0 | 0 | 108.8 | D45 E49 | D45-Q47 PolarHBondContact O-N 3.07Å; D45-Q47 VanDerWaalsContact O-N 3.17Å; Q47-E49 PolarHBondContact O-N 3.44Å; Q47-E49 VanDerWaalsContact O-N 3.16Å |
| 48 | S | 84.9 | Confident | 83.4 | Confident | 99 Ų | 99 | 140.9 Ų | 140.9 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 116.5 | 175.7 | 59.4 | 0 | 0 | 0 | 0 | 109.7 | ||
| 49 | E | 83.7 | Confident | 83.2 | Confident | 174 Ų | 174 | 142 Ų | 142 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 145.7 | 167.1 | -62.9 | -175.5 | 171.4 | 0 | 0 | 109.4 | Q47 S51 | Q47-E49 PolarHBondContact O-N 3.44Å; Q47-E49 VanDerWaalsContact O-N 3.16Å; E49-S51 PolarHBondContact O-N 3.27Å; E49-S51 VanDerWaalsContact O-N 3.17Å |
| 50 | S | 78.5 | Confident | 82.8 | Confident | 112 Ų | 112 | 140.6 Ų | 140.6 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 120.6 | 171.7 | 52.6 | 0 | 0 | 0 | 0 | 108.4 | V52 | S50-V52 PolarHBondContact O-N 2.96Å; S50-V52 VanDerWaalsContact O-N 3.14Å |
| 51 | S | 74.6 | Confident | 82.1 | Confident | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 120.7 | 177.1 | 57.5 | 0 | 0 | 0 | 0 | 109.6 | E49 | E49-S51 PolarHBondContact O-N 3.27Å; E49-S51 VanDerWaalsContact O-N 3.17Å |
| 52 | V | 78 | Confident | 81.3 | Confident | 134 Ų | 134 | 133.3 Ų | 133.3 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 135.9 | 168.1 | -177 | 0 | 0 | 0 | 0 | 107.4 | S50 D54 | S50-V52 PolarHBondContact O-N 2.96Å; S50-V52 VanDerWaalsContact O-N 3.14Å; V52-D54 PolarHBondContact O-N 3.17Å |
| 53 | E | 79 | Confident | 80.2 | Confident | 175 Ų | 175 | 133.1 Ų | 133.1 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 124 | 173.9 | -84.2 | 171.1 | 153.1 | 0 | 0 | 109.4 | V55 | E53-V55 PolarHBondContact O-N 2.9Å; E53-V55 VanDerWaalsContact O-N 3.09Å |
| 54 | D | 81.5 | Confident | 78.7 | Confident | 146 Ų | 146 | 131.6 Ų | 131.6 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | trans | -69.2 | 103.2 | -179.2 | -168.2 | 19.9 | 0 | 0 | 0 | 109 | V52 I56 | V52-D54 PolarHBondContact O-N 3.17Å; D54-I56 PolarHBondContact O-N 3.35Å | ||
| 55 | V | 81.5 | Confident | 77 | Confident | 125 Ų | 125 | 133.3 Ų | 133.3 | 76% | 0.758 | 74% | 0.74 | S | S | * | * | trans | -81.8 | 105.8 | 176.3 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | E53 | E53-V55 PolarHBondContact O-N 2.9Å; E53-V55 VanDerWaalsContact O-N 3.09Å | ||
| 56 | I | 80.3 | Confident | 75.1 | Confident | 103 Ų | 103 | 128.6 Ų | 128.6 | 53% | 0.528 | 73% | 0.727 | S | S | . | * | trans | -71.3 | 128.7 | 177.1 | -64.9 | 174.6 | 0 | 0 | 0 | 109.3 | D54 F60 | D54-I56 PolarHBondContact O-N 3.35Å; I56-F60 HydrophobicContact CG2-CB 3.42Å; I56-F60 VanDerWaalsContact CG2-CB 3.42Å; I56-F60 HydrophobicContact CG2-CD1 3.3Å; I56-F60 HydrophobicContact CG2-CE1 4.21Å; I56-F60 HydrophobicContact CG2-CG 3.55Å | ||
| 57 | D | 83.3 | Confident | 73 | Confident | 119 Ų | 119 | 124.4 Ų | 124.4 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | trans | -61.3 | 148.6 | 176.5 | -74.9 | -30.4 | 0 | 0 | 0 | 111.4 | D59 F60 | D57-D59 WeakPolarHBondContact CB-OD1 3.35Å; D57-D59 PolarHBondContact O-N 3.04Å; D57-D59 VanDerWaalsContact O-N 3.13Å; D57-F60 WeakPolarHBondContact O-CB 3.38Å; D57-F60 PolarHBondContact O-N 3.41Å | ||
| 58 | S | 79.3 | Confident | 70.6 | Confident | 113 Ų | 113 | 124.5 Ų | 124.5 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -17.3 | -175.9 | 49.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 59 | D | 79 | Confident | 68.5 | Low | 122 Ų | 122 | 127.9 Ų | 127.9 | 65% | 0.652 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -17.3 | 174.5 | 69 | -23.8 | 0 | 0 | 0 | 113 | D57 A61 | D57-D59 WeakPolarHBondContact CB-OD1 3.35Å; D57-D59 PolarHBondContact O-N 3.04Å; D57-D59 VanDerWaalsContact O-N 3.13Å; D59-A61 VanDerWaalsContact C-N 3.35Å |
| 60 | F | 76 | Confident | 66.6 | Low | 161 Ų | 161 | 127.1 Ų | 127.1 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -22 | 173 | -168.7 | -83.8 | 0 | 0 | 0 | 112 | I56 D57 | I56-F60 HydrophobicContact CG2-CB 3.42Å; I56-F60 VanDerWaalsContact CG2-CB 3.42Å; I56-F60 HydrophobicContact CG2-CD1 3.3Å; I56-F60 HydrophobicContact CG2-CE1 4.21Å; I56-F60 HydrophobicContact CG2-CG 3.55Å; D57-F60 WeakPolarHBondContact O-CB 3.38Å; D57-F60 PolarHBondContact O-N 3.41Å |
| 61 | A | 69.5 | Low | 64.7 | Low | 82 Ų | 82 | 128.7 Ų | 128.7 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -89.4 | -4.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D59 E63 | D59-A61 VanDerWaalsContact C-N 3.35Å; A61-E63 PolarHBondContact O-N 3.34Å |
| 62 | D | 67.3 | Low | 63 | Low | 105 Ų | 105 | 127.9 Ų | 127.9 | 56% | 0.561 | 74% | 0.739 | S | S | * | * | trans | -83.8 | 112.6 | 179.6 | -153.7 | 5.6 | 0 | 0 | 0 | 109.6 | S64 | D62-S64 PolarHBondContact O-N 2.85Å; D62-S64 WeakPolarHBondContact OD2-CB 3.35Å | ||
| 63 | E | 60.2 | Low | 61.1 | Low | 181 Ų | 181 | 127 Ų | 127 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | trans | -69.3 | 14.5 | 172.5 | -77.5 | -169.4 | 157.6 | 0 | 0 | 112.8 | A61 S65 G66 | A61-E63 PolarHBondContact O-N 3.34Å; E63-S65 PolarHBondContact O-N 2.62Å; E63-G66 PolarHBondContact O-N 3.27Å; E63-G66 VanDerWaalsContact O-N 3.15Å | ||
| 64 | S | 57.8 | Low | 59.1 | Low | 101 Ų | 101 | 122.3 Ų | 122.3 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 23.6 | -177.9 | -160.9 | 0 | 0 | 0 | 0 | 114.8 | D62 | D62-S64 PolarHBondContact O-N 2.85Å; D62-S64 WeakPolarHBondContact OD2-CB 3.35Å |
| 65 | S | 53.9 | Low | 56.8 | Low | 113 Ų | 113 | 123 Ų | 123 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.2 | 15.9 | 168.5 | 63.7 | 0 | 0 | 0 | 0 | 114.3 | E63 | E63-S65 PolarHBondContact O-N 2.62Š|
| 66 | G | 51 | Low | 54.6 | Low | 53 Ų | 53 | 121.4 Ų | 121.4 | 55% | 0.546 | 73% | 0.728 | S | S | . | * | trans | -93.6 | 94.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | E63 D68 | E63-G66 PolarHBondContact O-N 3.27Å; E63-G66 VanDerWaalsContact O-N 3.15Å; G66-D68 PolarHBondContact O-N 3.33Å | ||
| 67 | S | 46.3 | Very low | 52.4 | Low | 113 Ų | 113 | 121.9 Ų | 121.9 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | -60.6 | 101.6 | 164 | -43.4 | 0 | 0 | 0 | 0 | 108.2 | E69 | S67-E69 VanDerWaalsContact C-N 3.26Å; S67-E69 PolarHBondContact O-N 2.86Å | ||
| 68 | D | 36.1 | Very low | 50 | Low | 168 Ų | 168 | 123.5 Ų | 123.5 | 90% | 0.898 | 75% | 0.749 | S | S | * | * | trans | -66.3 | 85.5 | 168.1 | -77.4 | -37.7 | 0 | 0 | 0 | 109.3 | G66 | G66-D68 PolarHBondContact O-N 3.33Š| ||
| 69 | E | 41.8 | Very low | 47.9 | Very low | 169 Ų | 169 | 124.8 Ų | 124.8 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -115 | 88.8 | 156.9 | -71.2 | -172.7 | 174.5 | 0 | 0 | 106.8 | S67 | S67-E69 VanDerWaalsContact C-N 3.26Å; S67-E69 PolarHBondContact O-N 2.86Å | ||
| 70 | D | 44.4 | Very low | 45.9 | Very low | 159 Ų | 159 | 125.7 Ų | 125.7 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | 172.9 | 113 | 117.6 | -81.7 | -27.9 | 0 | 0 | 0 | 111.6 | A72 | D70-A72 PolarHBondContact O-N 3.48Š| |||
| 71 | D | 37.7 | Very low | 44 | Very low | 144 Ų | 144 | 125.4 Ų | 125.4 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | -51.8 | 116 | 171.6 | -176.1 | 16.9 | 0 | 0 | 0 | 112.4 | ||||
| 72 | A | 39.6 | Very low | 42.2 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -95.6 | 88.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | D70 A74 | D70-A72 PolarHBondContact O-N 3.48Å; A72-A74 PolarHBondContact O-N 3.26Å | ||
| 73 | T | 37.7 | Very low | 40.7 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -70.6 | 123.1 | 160.7 | 48.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 74 | A | 36.7 | Very low | 39.6 | Very low | 78 Ų | 78 | 135.4 Ų | 135.4 | 65% | 0.645 | 77% | 0.772 | S | S | * | * | trans | 93.2 | 109.9 | 133.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | A72 | A72-A74 PolarHBondContact O-N 3.26Š| ||
| 75 | I | 34.5 | Very low | 38.7 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 82% | 0.821 | 78% | 0.777 | S | S | * | * | 78.4 | 103.2 | 124.1 | -52.4 | 163.8 | 0 | 0 | 0 | 118.9 | |||||
| 76 | A | 33.3 | Very low | 38.2 | Very low | 91 Ų | 91 | 143.1 Ų | 143.1 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | 33.9 | 120.9 | 133.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 77 | S | 34.9 | Very low | 38 | Very low | 114 Ų | 114 | 152.4 Ų | 152.4 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | 176 | 138.7 | 103.2 | 61 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 78 | D | 33.1 | Very low | 37.9 | Very low | 152 Ų | 152 | 156.2 Ų | 156.2 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | 27.6 | 145.3 | 154.7 | -73.9 | -27.2 | 0 | 0 | 0 | 125.1 | ||||
| 79 | D | 35.7 | Very low | 38.3 | Very low | 140 Ų | 140 | 153.3 Ų | 153.3 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | 101 | 119.6 | 148.1 | -78.6 | -21.3 | 0 | 0 | 0 | 121.9 | ||||
| 80 | D | 37.4 | Very low | 38.4 | Very low | 141 Ų | 141 | 153.7 Ų | 153.7 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | trans | 78.5 | 119.7 | 142.8 | -77.5 | -31.8 | 0 | 0 | 0 | 124.1 | ||||
| 81 | E | 34.8 | Very low | 38.8 | Very low | 155 Ų | 155 | 156.7 Ų | 156.7 | 72% | 0.724 | 81% | 0.805 | S | S | * | * | trans | 49 | 128.5 | 136.9 | -72.7 | -132.6 | 156.7 | 0 | 0 | 122.6 | ||||
| 82 | N | 33.2 | Very low | 39.6 | Very low | 129 Ų | 129 | 155.6 Ų | 155.6 | 69% | 0.69 | 80% | 0.804 | S | S | * | * | trans | 59.6 | 90.6 | 142.3 | -77.8 | -41.2 | 0 | 0 | 0 | 118.2 | ||||
| 83 | K | 34 | Very low | 40 | Very low | 191 Ų | 191 | 157.2 Ų | 157.2 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -163.1 | 102.2 | 137.6 | -104.1 | 149.7 | -170.8 | 176.1 | 0 | 111.7 | Q85 | K83-Q85 VanDerWaalsContact C-N 3.3Å; K83-Q85 PolarHBondContact O-N 2.99Å | ||
| 84 | R | 38.1 | Very low | 41 | Very low | 259 Ų | 259 | 157.2 Ų | 157.2 | 98% | 0.977 | 80% | 0.803 | S | S | * | * | trans | -62.8 | 92.5 | 157.4 | -88.8 | 177.4 | 158.2 | -173.5 | -5.4 | 108.5 | K86 | R84-K86 PolarHBondContact O-N 3.33Å; R84-K86 VanDerWaalsContact O-N 3.16Å | ||
| 85 | Q | 39.3 | Very low | 41.9 | Very low | 173 Ų | 173 | 163.5 Ų | 163.5 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | trans | -73 | 102.6 | 171 | -69.8 | -172.5 | -4.5 | 0 | 0 | 109.4 | K83 R87 | K83-Q85 VanDerWaalsContact C-N 3.3Å; K83-Q85 PolarHBondContact O-N 2.99Å; Q85-R87 PolarHBondContact O-N 3.32Å | ||
| 86 | K | 42.2 | Very low | 43 | Very low | 202 Ų | 202 | 158.6 Ų | 158.6 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | trans | -70.4 | 113.3 | 164.6 | -122.5 | 177 | -179.2 | 177.3 | 0 | 107.4 | R84 Q88 | R84-K86 PolarHBondContact O-N 3.33Å; R84-K86 VanDerWaalsContact O-N 3.16Å; K86-Q88 PolarHBondContact O-N 3.26Å; K86-Q88 VanDerWaalsContact O-N 3.09Å | ||
| 87 | R | 47.3 | Very low | 44.3 | Very low | 249 Ų | 249 | 163.5 Ų | 163.5 | 94% | 0.94 | 81% | 0.805 | S | S | * | * | trans | -52.5 | 112 | 172.3 | -63.2 | 171.3 | 75.8 | -179 | 4 | 109.1 | Q85 | Q85-R87 PolarHBondContact O-N 3.32Š| ||
| 88 | Q | 44.5 | Very low | 46 | Very low | 192 Ų | 192 | 167.4 Ų | 167.4 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | -82.1 | 113.6 | 167.6 | -77.6 | -175.8 | -21.3 | 0 | 0 | 107.5 | K86 | K86-Q88 PolarHBondContact O-N 3.26Å; K86-Q88 VanDerWaalsContact O-N 3.09Å | ||
| 89 | S | 45.5 | Very low | 47.4 | Very low | 108 Ų | 108 | 167.5 Ų | 167.5 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -78.5 | 136.8 | 166.4 | 72.7 | 0 | 0 | 0 | 0 | 109.5 | R91 | S89-R91 PolarHBondContact O-N 3.44Š| ||
| 90 | N | 42 | Very low | 48.8 | Very low | 177 Ų | 177 | 165.7 Ų | 165.7 | 95% | 0.947 | 80% | 0.799 | S | S | * | * | trans | -58.5 | 94.3 | 171.1 | -84.5 | -23.7 | 0 | 0 | 0 | 109.9 | ||||
| 91 | R | 54.7 | Low | 49.5 | Very low | 221 Ų | 221 | 168.8 Ų | 168.8 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -97 | 116.5 | 170.1 | -169.7 | 172.9 | -177.1 | 169 | 3.1 | 109.4 | S89 V93 | S89-R91 PolarHBondContact O-N 3.44Å; R91-V93 PolarHBondContact O-N 3.36Å | ||
| 92 | V | 53.5 | Low | 50.4 | Low | 122 Ų | 122 | 172.8 Ų | 172.8 | 74% | 0.739 | 81% | 0.814 | S | S | * | * | trans | -54 | 119 | 170.3 | 175.4 | 0 | 0 | 0 | 0 | 109.3 | T94 | V92-T94 HydrophobicContact CG1-CG2 4.2Å; V92-T94 PolarHBondContact O-N 3.32Å | ||
| 93 | V | 47.8 | Very low | 51 | Low | 132 Ų | 132 | 171 Ų | 171 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | trans | -83.1 | 93.6 | 177 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | R91 | R91-V93 PolarHBondContact O-N 3.36Š| ||
| 94 | T | 58.5 | Low | 51.5 | Low | 115 Ų | 115 | 171.2 Ų | 171.2 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | trans | -83.6 | 131.6 | 162.4 | 57 | 0 | 0 | 0 | 0 | 108.6 | V92 G96 | V92-T94 HydrophobicContact CG1-CG2 4.2Å; V92-T94 PolarHBondContact O-N 3.32Å; T94-G96 PolarHBondContact O-N 2.97Å | ||
| 95 | K | 56.1 | Low | 51.6 | Low | 210 Ų | 210 | 165.8 Ų | 165.8 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | trans | -73.8 | 57.7 | 173.4 | -67.6 | -149 | 178.2 | -171.6 | 0 | 111.1 | ||||
| 96 | G | 57.2 | Low | 51.5 | Low | 57 Ų | 57 | 163.4 Ų | 163.4 | 59% | 0.588 | 81% | 0.805 | S | S | * | * | trans | -72.6 | 135.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | T94 | T94-G96 PolarHBondContact O-N 2.97Š| ||
| 97 | Y | 61.2 | Low | 51.3 | Low | 194 Ų | 194 | 161.5 Ų | 161.5 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | trans | -45.3 | 132.5 | 174.3 | 178.7 | -108.4 | 0 | 0 | 0 | 112.2 | E99 | Y97-E99 HydrophobicContact CD1-CG 3.88Å; Y97-E99 HydrophobicContact CE1-CG 3.47Å; Y97-E99 VanDerWaalsContact CE1-CG 3.47Å | ||
| 98 | K | 71.1 | Confident | 50.6 | Low | 197 Ų | 197 | 155.6 Ų | 155.6 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | trans | -107.4 | 103.8 | 179.1 | -159.1 | 165.1 | -171.8 | 173.9 | 0 | 108.4 | ||||
| 99 | E | 62 | Low | 50.5 | Low | 153 Ų | 153 | 155.3 Ų | 155.3 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | trans | -60.8 | 137.6 | 179.1 | -78.6 | -177.8 | 173.5 | 0 | 0 | 111.6 | Y97 K101 | Y97-E99 HydrophobicContact CD1-CG 3.88Å; Y97-E99 HydrophobicContact CE1-CG 3.47Å; Y97-E99 VanDerWaalsContact CE1-CG 3.47Å; E99-K101 PolarHBondContact O-N 2.76Å | ||
| 100 | P | 65.5 | Low | 50.2 | Low | 102 Ų | 102 | 159.2 Ų | 159.2 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | trans | -65.9 | 135.6 | 176.4 | 27.4 | -32.4 | 0 | 0 | 0 | 109.9 | R102 | P100-R102 PolarHBondContact O-N 3.39Š| ||
| 101 | K | 52.2 | Low | 49.9 | Very low | 207 Ų | 207 | 157 Ų | 157 | 90% | 0.9 | 79% | 0.786 | S | S | * | * | trans | -54.1 | 113.6 | 178.1 | -65.4 | 178.6 | 179.7 | 179.1 | 0 | 109.6 | E99 A103 | E99-K101 PolarHBondContact O-N 2.76Å; K101-A103 PolarHBondContact O-N 2.82Å | ||
| 102 | R | 51.9 | Low | 48.8 | Very low | 238 Ų | 238 | 154.1 Ų | 154.1 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | trans | -59.9 | 123.7 | 166.7 | -79.7 | -176 | 175 | -146.8 | 1 | 108.4 | P100 K104 | P100-R102 PolarHBondContact O-N 3.39Å; R102-K104 PolarHBondContact O-N 3.28Å; R102-K104 VanDerWaalsContact O-N 3.16Å | ||
| 103 | A | 46.1 | Very low | 47.8 | Very low | 93 Ų | 93 | 155.6 Ų | 155.6 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -61 | 115.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108 | K101 I105 | K101-A103 PolarHBondContact O-N 2.82Å; A103-I105 PolarHBondContact O-N 2.85Å; A103-I105 VanDerWaalsContact O-N 3.14Å | ||
| 104 | K | 43.8 | Very low | 47.1 | Very low | 194 Ų | 194 | 153.9 Ų | 153.9 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -66.7 | 111.2 | 170.1 | -74.4 | -178.7 | 177.6 | -176.9 | 0 | 107.5 | R102 T106 | R102-K104 PolarHBondContact O-N 3.28Å; R102-K104 VanDerWaalsContact O-N 3.16Å; K104-T106 PolarHBondContact O-N 3.43Å; K104-T106 VanDerWaalsContact O-N 3.11Å | ||
| 105 | I | 41.7 | Very low | 46 | Very low | 146 Ų | 146 | 155.4 Ų | 155.4 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -64.2 | 106 | 159.9 | -63.8 | 167.7 | 0 | 0 | 0 | 105.4 | A103 H107 | A103-I105 PolarHBondContact O-N 2.85Å; A103-I105 VanDerWaalsContact O-N 3.14Å; I105-H107 PolarHBondContact O-N 3.2Å | ||
| 106 | T | 36 | Very low | 45.1 | Very low | 122 Ų | 122 | 155.6 Ų | 155.6 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -70.9 | 104.5 | 171.8 | 42.9 | 0 | 0 | 0 | 0 | 108.7 | K104 | K104-T106 PolarHBondContact O-N 3.43Å; K104-T106 VanDerWaalsContact O-N 3.11Å | ||
| 107 | H | 38 | Very low | 43.7 | Very low | 163 Ų | 163 | 163.1 Ų | 163.1 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -75.4 | 126.4 | 153.2 | -76.3 | -75.3 | 0 | 0 | 0 | 107.9 | I105 Q109 | I105-H107 PolarHBondContact O-N 3.2Å; H107-Q109 PolarHBondContact O-N 2.86Å | ||
| 108 | P | 33.3 | Very low | 42.3 | Very low | 124 Ų | 124 | 158.4 Ų | 158.4 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | trans | -72.6 | 113.3 | 171 | -3 | 19.1 | 0 | 0 | 0 | 108.1 | ||||
| 109 | Q | 41.6 | Very low | 40.5 | Very low | 187 Ų | 187 | 156.3 Ų | 156.3 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -99.5 | 122.3 | 162 | -80.5 | -169 | -25.4 | 0 | 0 | 108.8 | H107 | H107-Q109 PolarHBondContact O-N 2.86Š| ||
| 110 | E | 40.4 | Very low | 39.1 | Very low | 190 Ų | 190 | 153.6 Ų | 153.6 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -64 | 132.2 | 170.1 | -67.3 | 178.6 | 149.7 | 0 | 0 | 110.5 | ||||
| 111 | N | 34.6 | Very low | 37.6 | Very low | 131 Ų | 131 | 155.7 Ų | 155.7 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -23.8 | 151.1 | 146.2 | -69.3 | -41.8 | 0 | 0 | 0 | 113.8 | ||||
| 112 | K | 31.4 | Very low | 36.7 | Very low | 159 Ų | 159 | 154.8 Ų | 154.8 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | cis | 174.3 | 151.9 | 9 | -111.6 | 173.9 | -173.3 | -179.5 | 0 | 106.5 | ||||
| 113 | L | 34.3 | Very low | 35.9 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | 71.9 | 140.1 | 148.5 | -59.3 | 156.7 | 0 | 0 | 0 | 116.8 | ||||
| 114 | S | 32.6 | Very low | 35.2 | Very low | 95 Ų | 95 | 151.8 Ų | 151.8 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | cis | -172.4 | 144.2 | 9.2 | 44.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 115 | D | 35 | Very low | 34.7 | Very low | 148 Ų | 148 | 149.7 Ų | 149.7 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | 34.7 | 120.6 | 138.9 | -55.7 | -43.9 | 0 | 0 | 0 | 122.3 | ||||
| 116 | K | 37.2 | Very low | 34.5 | Very low | 213 Ų | 213 | 150.2 Ų | 150.2 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | -177.9 | 130.6 | 102.8 | -97.6 | 173.4 | -177.8 | 178.8 | 0 | 112.9 | |||||
| 117 | K | 27.2 | Very low | 34.6 | Very low | 215 Ų | 215 | 149.5 Ų | 149.5 | 94% | 0.935 | 80% | 0.798 | S | S | * | * | trans | -83.7 | 145.3 | 163.9 | -80.4 | 176.2 | 170.8 | 177.9 | 0 | 111 | ||||
| 118 | A | 32.9 | Very low | 34.7 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -161.1 | 107.9 | 142.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 119 | N | 32.1 | Very low | 34.9 | Very low | 153 Ų | 153 | 149.3 Ų | 149.3 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | 60.3 | 107.7 | 101 | -95.7 | 11 | 0 | 0 | 0 | 114.8 | |||||
| 120 | S | 32.7 | Very low | 34.6 | Very low | 96 Ų | 96 | 149.6 Ų | 149.6 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | 78.4 | 135.1 | 105.2 | 68.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 121 | D | 34.1 | Very low | 34.3 | Very low | 146 Ų | 146 | 146 Ų | 146 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | cis | -165.3 | 171.2 | 18.9 | -125.2 | -36.5 | 0 | 0 | 0 | 110.2 | ||||
| 122 | K | 33.2 | Very low | 34.4 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -56.5 | 150.6 | -174.2 | -69.4 | 151.4 | 171.7 | 173.1 | 0 | 118.6 | ||||
| 123 | S | 34.8 | Very low | 34.3 | Very low | 109 Ų | 109 | 142.8 Ų | 142.8 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | -179.2 | 110.4 | 119.7 | 43.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 124 | L | 32 | Very low | 34.4 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | 67.8 | 109.9 | 100.5 | -74.1 | 162.1 | 0 | 0 | 0 | 115.6 | |||||
| 125 | T | 34.7 | Very low | 34.5 | Very low | 150 Ų | 150 | 146 Ų | 146 | 92% | 0.92 | 80% | 0.803 | S | S | * | * | -170.6 | 145.7 | 124.8 | 22.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 126 | D | 35.5 | Very low | 34.6 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -74.5 | 172.6 | -159.7 | -95.7 | -44.7 | 0 | 0 | 0 | 117.9 | ||||
| 127 | P | 39.5 | Very low | 34.4 | Very low | 107 Ų | 107 | 144 Ų | 144 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | trans | -98.6 | 158.1 | -164 | 38.4 | -35.1 | 0 | 0 | 0 | 114.8 | ||||
| 128 | Q | 39.9 | Very low | 34.8 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -141.2 | 109.2 | 158.1 | -76.4 | -164.7 | -21.1 | 0 | 0 | 113.5 | ||||
| 129 | S | 36.7 | Very low | 34.9 | Very low | 90 Ų | 90 | 147.2 Ų | 147.2 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | trans | 6.6 | 148.3 | 140.4 | 77.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 130 | K | 35.7 | Very low | 35.3 | Very low | 193 Ų | 193 | 148 Ų | 148 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | 81 | 134.5 | 154.1 | -58.6 | 170.2 | -167.2 | -179.5 | 0 | 114.5 | ||||
| 131 | S | 34.7 | Very low | 35.3 | Very low | 114 Ų | 114 | 151.9 Ų | 151.9 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | cis | -176.4 | 166.9 | 11.1 | 41.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 132 | A | 35.9 | Very low | 35.4 | Very low | 95 Ų | 95 | 152 Ų | 152 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | 93.5 | 97.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 133 | V | 29.8 | Very low | 35.2 | Very low | 129 Ų | 129 | 148.9 Ų | 148.9 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | trans | -31.4 | 125.9 | 148.6 | 177.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 134 | Q | 36 | Very low | 35.4 | Very low | 161 Ų | 161 | 149.8 Ų | 149.8 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -144.6 | 96.6 | 143 | -70.2 | -167.7 | 27.8 | 0 | 0 | 108.8 | ||||
| 135 | I | 35.8 | Very low | 35.5 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 80% | 0.795 | 80% | 0.795 | S | S | * | * | trans | -82 | 113 | 161.5 | -64.9 | 172.4 | 0 | 0 | 0 | 105.6 | ||||
| 136 | K | 36.5 | Very low | 35.6 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | -109.9 | 120 | 168.8 | -89.3 | -178.5 | 177.8 | 170.8 | 0 | 109 | K138 | K136-K138 PolarHBondContact O-N 3.33Š| ||
| 137 | D | 32 | Very low | 35.8 | Very low | 149 Ų | 149 | 153.5 Ų | 153.5 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -48.8 | 124.5 | 167.5 | -63.9 | -55.1 | 0 | 0 | 0 | 111.7 | ||||
| 138 | K | 36.8 | Very low | 35.5 | Very low | 188 Ų | 188 | 154.9 Ų | 154.9 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | -131.8 | 98.8 | 157 | -88 | -174.5 | 176.6 | 179.5 | 0 | 109.1 | K136 Q140 | K136-K138 PolarHBondContact O-N 3.33Å; K138-Q140 PolarHBondContact O-N 3.11Å | ||
| 139 | Q | 33.6 | Very low | 35.2 | Very low | 190 Ų | 190 | 151.7 Ų | 151.7 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -53.6 | 117.5 | 155.9 | -64.2 | 171.1 | 0.4 | 0 | 0 | 108.3 | ||||
| 140 | Q | 42 | Very low | 35.1 | Very low | 169 Ų | 169 | 150.4 Ų | 150.4 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -113.4 | 105.5 | 163.6 | -76.6 | -173.1 | 4.2 | 0 | 0 | 108.4 | K138 I142 | K138-Q140 PolarHBondContact O-N 3.11Å; Q140-I142 PolarHBondContact O-N 3.26Å | ||
| 141 | Q | 32.5 | Very low | 35.6 | Very low | 177 Ų | 177 | 151.2 Ų | 151.2 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -59.4 | 118.4 | 160.8 | -73.6 | 171.1 | -6.5 | 0 | 0 | 108.6 | ||||
| 142 | I | 37 | Very low | 35.9 | Very low | 149 Ų | 149 | 152.7 Ų | 152.7 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | trans | -99.1 | 97.1 | 161.5 | -63 | 176.3 | 0 | 0 | 0 | 106.7 | Q140 V144 | Q140-I142 PolarHBondContact O-N 3.26Å; I142-V144 HydrophobicContact CG2-CG2 3.98Å | ||
| 143 | T | 27.7 | Very low | 36.4 | Very low | 122 Ų | 122 | 153.6 Ų | 153.6 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -85.3 | 111.2 | 161.2 | 47.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 144 | V | 38.6 | Very low | 37.2 | Very low | 127 Ų | 127 | 153.1 Ų | 153.1 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -133.3 | 141.8 | 161.9 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | I142 | I142-V144 HydrophobicContact CG2-CG2 3.98Š| ||
| 145 | T | 35.3 | Very low | 37.8 | Very low | 133 Ų | 133 | 154.7 Ų | 154.7 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | trans | -84.3 | 157.4 | -153.2 | 40.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 146 | K | 36.7 | Very low | 38.8 | Very low | 205 Ų | 205 | 155.7 Ų | 155.7 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -47.2 | 130.8 | 172.6 | -69.8 | 172.6 | 174.7 | 174.8 | 0 | 113.4 | ||||
| 147 | K | 38.3 | Very low | 39.7 | Very low | 208 Ų | 208 | 157.9 Ų | 157.9 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | -147.5 | 144.8 | 131.2 | -75.4 | -163.1 | -179.1 | 171 | 0 | 111.3 | ||||
| 148 | T | 34.2 | Very low | 41 | Very low | 135 Ų | 135 | 155.5 Ų | 155.5 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | trans | -67.3 | 133.1 | -174.3 | 46.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 149 | S | 34.5 | Very low | 42.5 | Very low | 125 Ų | 125 | 155.6 Ų | 155.6 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | 174.5 | 138.4 | 134.5 | 54.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 150 | G | 33.9 | Very low | 43.7 | Very low | 64 Ų | 64 | 151.7 Ų | 151.7 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | trans | 93.2 | 95.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | I152 | G150-I152 PolarHBondContact O-N 3.03Š| ||
| 151 | Q | 46.3 | Very low | 45.3 | Very low | 210 Ų | 210 | 153.5 Ų | 153.5 | 98% | 0.981 | 79% | 0.791 | S | S | * | * | trans | -63.5 | 91 | 156.6 | -87.9 | 176.6 | -32.1 | 0 | 0 | 108.3 | ||||
| 152 | I | 41.3 | Very low | 47.5 | Very low | 145 Ų | 145 | 148.6 Ų | 148.6 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | -84.4 | 112.7 | 163.7 | -59.1 | 170.5 | 0 | 0 | 0 | 105 | G150 T154 | G150-I152 PolarHBondContact O-N 3.03Å; I152-T154 VanDerWaalsContact C-N 3.29Å; I152-T154 PolarHBondContact O-N 3.49Å | ||
| 153 | S | 45.6 | Very low | 49.4 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -56.8 | 94.1 | 167.7 | 159.4 | 0 | 0 | 0 | 0 | 108.3 | Y155 | S153-Y155 PolarHBondContact O-N 3.13Å; S153-Y155 VanDerWaalsContact O-N 3.13Å | ||
| 154 | T | 46.8 | Very low | 51.7 | Low | 120 Ų | 120 | 142.3 Ų | 142.3 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | -63.6 | 110.2 | 172 | 43.1 | 0 | 0 | 0 | 0 | 108.1 | I152 E156 | I152-T154 VanDerWaalsContact C-N 3.29Å; I152-T154 PolarHBondContact O-N 3.49Å; T154-E156 PolarHBondContact O-N 3.24Å; T154-E156 VanDerWaalsContact O-N 3.12Å | ||
| 155 | Y | 47.7 | Very low | 53.4 | Low | 193 Ų | 193 | 140.5 Ų | 140.5 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | trans | -68.1 | 105 | 175.9 | -174.7 | -93.5 | 0 | 0 | 0 | 108.9 | S153 R157 | S153-Y155 PolarHBondContact O-N 3.13Å; S153-Y155 VanDerWaalsContact O-N 3.13Å; Y155-R157 PolarHBondContact O-N 3.39Å | ||
| 156 | E | 57.5 | Low | 55.5 | Low | 177 Ų | 177 | 140.7 Ų | 140.7 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | trans | -71.3 | 114.4 | 168.4 | -80.9 | -176.1 | 161.9 | 0 | 0 | 108.7 | T154 | T154-E156 PolarHBondContact O-N 3.24Å; T154-E156 VanDerWaalsContact O-N 3.12Å | ||
| 157 | R | 55.2 | Low | 57.6 | Low | 216 Ų | 216 | 133.7 Ų | 133.7 | 82% | 0.815 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 132.3 | 178.1 | -176.6 | 176.6 | 178.5 | 178.2 | -1.5 | 108.7 | Y155 E159 | Y155-R157 PolarHBondContact O-N 3.39Å; R157-E159 PolarHBondContact O-N 3.09Å; R157-E159 VanDerWaalsContact O-N 3.11Å |
| 158 | P | 60 | Low | 59.6 | Low | 99 Ų | 99 | 126.7 Ų | 126.7 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 118.4 | -179.9 | -19.5 | 29.5 | 0 | 0 | 0 | 110.8 | ||
| 159 | E | 68.8 | Low | 62.1 | Low | 190 Ų | 190 | 122.6 Ų | 122.6 | 89% | 0.888 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 127.2 | 173.6 | -64.8 | -174.2 | 168.7 | 0 | 0 | 109.3 | R157 | R157-E159 PolarHBondContact O-N 3.09Å; R157-E159 VanDerWaalsContact O-N 3.11Å |
| 160 | L | 58.9 | Low | 64.4 | Low | 108 Ų | 108 | 122 Ų | 122 | 57% | 0.565 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 143.6 | 174.5 | -75.2 | 161.1 | 0 | 0 | 0 | 109.3 | A162 L165 | L160-A162 PolarHBondContact O-N 3.04Å; L160-L165 HydrophobicContact CB-CD2 3.87Å; L160-L165 HydrophobicContact CB-CG 3.99Å; L160-L165 HydrophobicContact CD1-CD2 4Å |
| 161 | R | 75.4 | Confident | 66.7 | Low | 207 Ų | 207 | 125 Ų | 125 | 78% | 0.781 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 138.3 | 175.5 | -132 | 178.5 | -167.3 | 139.1 | 2 | 109.3 | S163 T164 L165 | R161-S163 PolarHBondContact O-N 3.13Å; R161-T164 VanDerWaalsContact CB-OG1 3.31Å; R161-T164 WeakPolarHBondContact CB-OG1 3.43Å; R161-T164 PolarHBondContact N-OG1 3.13Å; R161-T164 WeakPolarHBondContact O-CA 3.13Å; R161-T164 WeakPolarHBondContact O-CB 3.4Å; R161-T164 PolarHBondContact O-N 3.25Å; R161-T164 PolarHBondContact O-OG1 2.96Å; R161-L165 PolarHBondContact O-N 3.13Å |
| 162 | A | 78.2 | Confident | 68.5 | Low | 74 Ų | 74 | 121.1 Ų | 121.1 | 61% | 0.612 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -51.8 | -35.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | L160 T164 L165 Q166 | L160-A162 PolarHBondContact O-N 3.04Å; A162-T164 PolarHBondContact O-N 3.31Å; A162-L165 PolarHBondContact O-N 3.25Å; A162-Q166 PolarHBondContact O-N 3.3Å |
| 163 | S | 76.1 | Confident | 70.7 | Confident | 78 Ų | 78 | 116.2 Ų | 116.2 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67 | -33.9 | 176.4 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | R161 A167 | R161-S163 PolarHBondContact O-N 3.13Å; S163-A167 PolarHBondContact O-N 3.03Å |
| 164 | T | 75.9 | Confident | 72.6 | Confident | 62 Ų | 62 | 115.6 Ų | 115.6 | 38% | 0.38 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.4 | -35.1 | 175.2 | 10.1 | 0 | 0 | 0 | 0 | 111.9 | R161 A162 T168 | R161-T164 VanDerWaalsContact CB-OG1 3.31Å; R161-T164 WeakPolarHBondContact CB-OG1 3.43Å; R161-T164 PolarHBondContact N-OG1 3.13Å; R161-T164 WeakPolarHBondContact O-CA 3.13Å; R161-T164 WeakPolarHBondContact O-CB 3.4Å; R161-T164 PolarHBondContact O-N 3.25Å; R161-T164 PolarHBondContact O-OG1 2.96Å; A162-T164 PolarHBondContact O-N 3.31Å; T164-T168 WeakPolarHBondContact O-CG2 3.18Å; T164-T168 PolarHBondContact O-N 3.33Å; T164-T168 PolarHBondContact O-OG1 3.21Å |
| 165 | L | 75.8 | Confident | 74.3 | Confident | 89 Ų | 89 | 113.1 Ų | 113.1 | 47% | 0.466 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.2 | -41.5 | 177 | -69 | 174.5 | 0 | 0 | 0 | 112.1 | L160 R161 A162 T168 A169 | L160-L165 HydrophobicContact CB-CD2 3.87Å; L160-L165 HydrophobicContact CB-CG 3.99Å; L160-L165 HydrophobicContact CD1-CD2 4Å; R161-L165 PolarHBondContact O-N 3.13Å; A162-L165 PolarHBondContact O-N 3.25Å; L165-T168 WeakPolarHBondContact CA-OG1 3.44Å; L165-T168 PolarHBondContact O-OG1 3.39Å; L165-A169 WeakPolarHBondContact O-CB 3.37Å; L165-A169 PolarHBondContact O-N 3.29Å |
| 166 | Q | 79 | Confident | 76 | Confident | 137 Ų | 137 | 107.2 Ų | 107.2 | 64% | 0.64 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.5 | -45.7 | 175.6 | -74.5 | 179.6 | -25 | 0 | 0 | 111.5 | A162 T168 A169 D170 | A162-Q166 PolarHBondContact O-N 3.3Å; Q166-T168 PolarHBondContact O-N 3.26Å; Q166-A169 PolarHBondContact O-N 2.74Å; Q166-A169 VanDerWaalsContact O-N 3.17Å; Q166-D170 PolarHBondContact O-N 3.33Å |
| 167 | A | 79.3 | Confident | 77.4 | Confident | 57 Ų | 57 | 108 Ų | 108 | 47% | 0.471 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.5 | -39.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S163 Q171 | S163-A167 PolarHBondContact O-N 3.03Å; A167-Q171 WeakPolarHBondContact O-CB 3.25Å; A167-Q171 PolarHBondContact O-N 3.04Å |
| 168 | T | 81.4 | Confident | 78.8 | Confident | 61 Ų | 61 | 104.6 Ų | 104.6 | 37% | 0.374 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 174.5 | 48.2 | 0 | 0 | 0 | 0 | 111.9 | T164 L165 Q166 Q171 E172 | T164-T168 WeakPolarHBondContact O-CG2 3.18Å; T164-T168 PolarHBondContact O-N 3.33Å; T164-T168 PolarHBondContact O-OG1 3.21Å; L165-T168 WeakPolarHBondContact CA-OG1 3.44Å; L165-T168 PolarHBondContact O-OG1 3.39Å; Q166-T168 PolarHBondContact O-N 3.26Å; T168-Q171 PolarHBondContact O-N 3.17Å; T168-E172 WeakPolarHBondContact O-CB 3.38Å; T168-E172 WeakPolarHBondContact O-CG 3.43Å; T168-E172 PolarHBondContact O-N 3.37Å |
| 169 | A | 85.9 | Confident | 79.8 | Confident | 49 Ų | 49 | 107.2 Ų | 107.2 | 41% | 0.405 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L165 Q166 Q171 E172 A173 | L165-A169 WeakPolarHBondContact O-CB 3.37Å; L165-A169 PolarHBondContact O-N 3.29Å; Q166-A169 PolarHBondContact O-N 2.74Å; Q166-A169 VanDerWaalsContact O-N 3.17Å; A169-Q171 VanDerWaalsContact C-N 3.34Å; A169-E172 PolarHBondContact O-N 3.01Å; A169-A173 WeakPolarHBondContact O-CB 3.32Å; A169-A173 PolarHBondContact O-N 2.96Å |
| 170 | D | 82.6 | Confident | 80.6 | Confident | 114 Ų | 114 | 102.7 Ų | 102.7 | 61% | 0.61 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.6 | -39.4 | 176.7 | -70.2 | -25.3 | 0 | 0 | 0 | 111.4 | Q166 A173 E174 | Q166-D170 PolarHBondContact O-N 3.33Å; D170-A173 PolarHBondContact O-N 3.23Å; D170-E174 PolarHBondContact O-N 2.75Å |
| 171 | Q | 83 | Confident | 81.8 | Confident | 126 Ų | 126 | 99.6 Ų | 99.6 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.4 | -41.5 | 177.6 | -150.2 | 176.1 | 11.6 | 0 | 0 | 111.6 | A167 T168 A169 E174 T175 | A167-Q171 WeakPolarHBondContact O-CB 3.25Å; A167-Q171 PolarHBondContact O-N 3.04Å; T168-Q171 PolarHBondContact O-N 3.17Å; A169-Q171 VanDerWaalsContact C-N 3.34Å; Q171-E174 PolarHBondContact O-N 3.3Å; Q171-T175 WeakPolarHBondContact O-CG2 3.45Å; Q171-T175 PolarHBondContact O-N 3.03Å; Q171-T175 PolarHBondContact O-OG1 3.08Å; Q171-T175 VanDerWaalsContact O-OG1 3.06Å |
| 172 | E | 84.3 | Confident | 82 | Confident | 129 Ų | 129 | 92.4 Ų | 92.4 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.7 | -40.3 | 171.6 | -75.3 | 176.1 | -178.7 | 0 | 0 | 112 | T168 A169 E174 T175 T176 | T168-E172 WeakPolarHBondContact O-CB 3.38Å; T168-E172 WeakPolarHBondContact O-CG 3.43Å; T168-E172 PolarHBondContact O-N 3.37Å; A169-E172 PolarHBondContact O-N 3.01Å; E172-E174 PolarHBondContact O-N 3.05Å; E172-T175 WeakPolarHBondContact CA-OG1 3.43Å; E172-T175 PolarHBondContact O-OG1 2.96Å; E172-T176 WeakPolarHBondContact O-CB 3.35Å; E172-T176 VanDerWaalsContact O-CG2 3.24Å; E172-T176 WeakPolarHBondContact O-CG2 3.21Å; E172-T176 PolarHBondContact O-N 3.09Å; E172-T176 PolarHBondContact O-OG1 3.27Å |
| 173 | A | 87.2 | Confident | 82.3 | Confident | 41 Ų | 41 | 91.5 Ų | 91.5 | 34% | 0.339 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.1 | -36.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A169 D170 T176 R177 | A169-A173 WeakPolarHBondContact O-CB 3.32Å; A169-A173 PolarHBondContact O-N 2.96Å; D170-A173 PolarHBondContact O-N 3.23Å; A173-T176 WeakPolarHBondContact CA-OG1 3.36Å; A173-T176 PolarHBondContact O-OG1 3.3Å; A173-R177 WeakPolarHBondContact O-CB 3.49Å; A173-R177 VanDerWaalsContact O-CG 3.26Å; A173-R177 WeakPolarHBondContact O-CG 3.44Å; A173-R177 PolarHBondContact O-N 2.99Å |
| 174 | E | 84.8 | Confident | 82.8 | Confident | 101 Ų | 101 | 93.7 Ų | 93.7 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72.7 | -43.5 | 177.1 | -165.6 | 178.1 | 169.3 | 0 | 0 | 111.9 | D170 Q171 E172 T176 R177 R178 | D170-E174 PolarHBondContact O-N 2.75Å; Q171-E174 PolarHBondContact O-N 3.3Å; E172-E174 PolarHBondContact O-N 3.05Å; E174-T176 PolarHBondContact O-N 3.46Å; E174-R177 PolarHBondContact O-N 2.84Å; E174-R178 PolarHBondContact O-N 2.98Å; E174-R178 IonicContact OE1-CZ 3.5Å; E174-R178 IonicContact OE1-NE 3.59Å; E174-R178 IonicContact OE1-NH2 2.74Å; E174-R178 PolarHBondContact OE1-NH2 3.28Å |
| 175 | T | 83.2 | Confident | 83 | Confident | 67 Ų | 67 | 96.2 Ų | 96.2 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 176.9 | 53.1 | 0 | 0 | 0 | 0 | 112.3 | Q171 E172 R178 R179 | Q171-T175 WeakPolarHBondContact O-CG2 3.45Å; Q171-T175 PolarHBondContact O-N 3.03Å; Q171-T175 PolarHBondContact O-OG1 3.08Å; Q171-T175 VanDerWaalsContact O-OG1 3.06Å; E172-T175 WeakPolarHBondContact CA-OG1 3.43Å; E172-T175 PolarHBondContact O-OG1 2.96Å; T175-R178 PolarHBondContact O-N 3.24Å; T175-R179 PolarHBondContact O-N 3.48Å |
| 176 | T | 84.4 | Confident | 83.4 | Confident | 70 Ų | 70 | 96.4 Ų | 96.4 | 43% | 0.429 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 175.8 | 50 | 0 | 0 | 0 | 0 | 112.1 | E172 A173 E174 R178 R179 I180 | E172-T176 WeakPolarHBondContact O-CB 3.35Å; E172-T176 VanDerWaalsContact O-CG2 3.24Å; E172-T176 WeakPolarHBondContact O-CG2 3.21Å; E172-T176 PolarHBondContact O-N 3.09Å; E172-T176 PolarHBondContact O-OG1 3.27Å; A173-T176 WeakPolarHBondContact CA-OG1 3.36Å; A173-T176 PolarHBondContact O-OG1 3.3Å; E174-T176 PolarHBondContact O-N 3.46Å; T176-R178 PolarHBondContact O-N 3.2Å; T176-R179 PolarHBondContact O-N 2.68Å; T176-I180 VanDerWaalsContact O-CG1 3.31Å; T176-I180 WeakPolarHBondContact O-CG1 3.17Å; T176-I180 PolarHBondContact O-N 3.36Å |
| 177 | R | 86.9 | Confident | 83.7 | Confident | 193 Ų | 193 | 92.6 Ų | 92.6 | 73% | 0.728 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62 | -41.3 | 174.3 | -76 | 175.3 | 179.5 | -177.1 | 2.2 | 112.7 | A173 E174 I180 A181 | A173-R177 WeakPolarHBondContact O-CB 3.49Å; A173-R177 VanDerWaalsContact O-CG 3.26Å; A173-R177 WeakPolarHBondContact O-CG 3.44Å; A173-R177 PolarHBondContact O-N 2.99Å; E174-R177 PolarHBondContact O-N 2.84Å; R177-I180 PolarHBondContact O-N 2.85Å; R177-A181 WeakPolarHBondContact O-CB 3.44Å; R177-A181 PolarHBondContact O-N 3.09Å |
| 178 | R | 83.6 | Confident | 84.1 | Confident | 145 Ų | 145 | 94.7 Ų | 94.7 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 176.3 | -73.2 | -175.5 | -172 | -177.3 | 5.6 | 111.5 | E174 T175 T176 I180 A181 T182 | E174-R178 PolarHBondContact O-N 2.98Å; E174-R178 IonicContact OE1-CZ 3.5Å; E174-R178 IonicContact OE1-NE 3.59Å; E174-R178 IonicContact OE1-NH2 2.74Å; E174-R178 PolarHBondContact OE1-NH2 3.28Å; T175-R178 PolarHBondContact O-N 3.24Å; T176-R178 PolarHBondContact O-N 3.2Å; R178-I180 PolarHBondContact O-N 2.65Å; R178-A181 PolarHBondContact O-N 3.45Å; R178-T182 WeakPolarHBondContact O-CG2 3.49Å; R178-T182 PolarHBondContact O-N 3.05Å; R178-T182 PolarHBondContact O-OG1 2.81Å |
| 179 | R | 81.5 | Confident | 84.3 | Confident | 153 Ų | 153 | 101.3 Ų | 101.3 | 58% | 0.577 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.4 | -44.2 | 175.1 | -82.1 | 175.4 | -177.3 | -178.2 | 4.4 | 113.2 | E26 T175 T176 A181 T182 A183 | E26-R179 WeakPolarHBondContact OE1-CG 3.1Å; E26-R179 IonicContact OE1-NE 3.88Å; T175-R179 PolarHBondContact O-N 3.48Å; T176-R179 PolarHBondContact O-N 2.68Å; R179-A181 VanDerWaalsContact C-N 3.34Å; R179-T182 WeakPolarHBondContact CA-OG1 3.33Å; R179-T182 PolarHBondContact O-N 3.02Å; R179-T182 PolarHBondContact O-OG1 2.83Å; R179-A183 WeakPolarHBondContact O-CB 3.12Å; R179-A183 PolarHBondContact O-N 2.8Å |
| 180 | I | 84.4 | Confident | 84.3 | Confident | 96 Ų | 96 | 108 Ų | 108 | 49% | 0.492 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 177.8 | -67.2 | 165.3 | 0 | 0 | 0 | 109.7 | T176 R177 R178 T182 A183 E184 | T176-I180 VanDerWaalsContact O-CG1 3.31Å; T176-I180 WeakPolarHBondContact O-CG1 3.17Å; T176-I180 PolarHBondContact O-N 3.36Å; R177-I180 PolarHBondContact O-N 2.85Å; R178-I180 PolarHBondContact O-N 2.65Å; I180-T182 PolarHBondContact O-N 2.85Å; I180-A183 PolarHBondContact O-N 3.3Å; I180-E184 HydrophobicContact CG2-CG 4.35Å; I180-E184 WeakPolarHBondContact O-CB 3.47Å; I180-E184 VanDerWaalsContact O-CG 3.29Å; I180-E184 WeakPolarHBondContact O-CG 3.47Å; I180-E184 PolarHBondContact O-N 3.09Å |
| 181 | A | 84 | Confident | 84.7 | Confident | 43 Ų | 43 | 110.3 Ų | 110.3 | 36% | 0.355 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R177 R178 R179 N185 | R177-A181 WeakPolarHBondContact O-CB 3.44Å; R177-A181 PolarHBondContact O-N 3.09Å; R178-A181 PolarHBondContact O-N 3.45Å; R179-A181 VanDerWaalsContact C-N 3.34Å; A181-N185 WeakPolarHBondContact O-CB 3.49Å; A181-N185 PolarHBondContact O-N 2.94Å; A181-N185 VanDerWaalsContact O-N 3.16Å; A181-N185 PolarHBondContact O-ND2 3.19Å |
| 182 | T | 81.5 | Confident | 84.9 | Confident | 56 Ų | 56 | 107.2 Ų | 107.2 | 34% | 0.344 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.8 | -40.5 | 175.9 | 56.3 | 0 | 0 | 0 | 0 | 111.4 | E26 R178 R179 I180 N185 T186 | E26-T182 PolarHBondContact OE2-OG1 2.86Å; E26-T182 VanDerWaalsContact OE2-OG1 3.11Å; R178-T182 WeakPolarHBondContact O-CG2 3.49Å; R178-T182 PolarHBondContact O-N 3.05Å; R178-T182 PolarHBondContact O-OG1 2.81Å; R179-T182 WeakPolarHBondContact CA-OG1 3.33Å; R179-T182 PolarHBondContact O-N 3.02Å; R179-T182 PolarHBondContact O-OG1 2.83Å; I180-T182 PolarHBondContact O-N 2.85Å; T182-N185 PolarHBondContact O-N 2.76Å; T182-T186 VanDerWaalsContact O-CG2 3.31Å; T182-T186 WeakPolarHBondContact O-CG2 3.03Å; T182-T186 PolarHBondContact O-N 3.45Å; T182-T186 PolarHBondContact O-OG1 2.92Å |
| 183 | A | 84.5 | Confident | 85 | Confident | 54 Ų | 54 | 105.7 Ų | 105.7 | 45% | 0.446 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R179 I180 T186 A187 | R179-A183 WeakPolarHBondContact O-CB 3.12Å; R179-A183 PolarHBondContact O-N 2.8Å; I180-A183 PolarHBondContact O-N 3.3Å; A183-T186 WeakPolarHBondContact CA-OG1 3.37Å; A183-T186 PolarHBondContact O-N 2.89Å; A183-T186 PolarHBondContact O-OG1 2.84Å; A183-A187 VanDerWaalsContact O-CB 3.25Å; A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 3.02Å |
| 184 | E | 85 | Confident | 84.9 | Confident | 125 Ų | 125 | 108.8 Ų | 108.8 | 58% | 0.584 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63 | -45.7 | 176.7 | -76 | 177.4 | 174.5 | 0 | 0 | 111.5 | I180 T186 A187 V188 | I180-E184 HydrophobicContact CG2-CG 4.35Å; I180-E184 WeakPolarHBondContact O-CB 3.47Å; I180-E184 VanDerWaalsContact O-CG 3.29Å; I180-E184 WeakPolarHBondContact O-CG 3.47Å; I180-E184 PolarHBondContact O-N 3.09Å; E184-T186 PolarHBondContact O-N 3.19Å; E184-A187 PolarHBondContact O-N 2.86Å; E184-V188 VanDerWaalsContact O-CG2 3.29Å; E184-V188 WeakPolarHBondContact O-CG2 3.37Å; E184-V188 PolarHBondContact O-N 2.97Å |
| 185 | N | 81.4 | Confident | 84.9 | Confident | 115 Ų | 115 | 106.3 Ų | 106.3 | 62% | 0.615 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.5 | -39.9 | 178.4 | -77.4 | -50.2 | 0 | 0 | 0 | 112.6 | A181 T182 R189 | A181-N185 WeakPolarHBondContact O-CB 3.49Å; A181-N185 PolarHBondContact O-N 2.94Å; A181-N185 VanDerWaalsContact O-N 3.16Å; A181-N185 PolarHBondContact O-ND2 3.19Å; T182-N185 PolarHBondContact O-N 2.76Å; N185-R189 WeakPolarHBondContact O-CB 3.37Å; N185-R189 PolarHBondContact O-N 2.95Å; N185-R189 VanDerWaalsContact O-N 3.07Å |
| 186 | T | 82.8 | Confident | 84.8 | Confident | 92 Ų | 92 | 107.6 Ų | 107.6 | 56% | 0.564 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.4 | -39.4 | 176.7 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | T182 A183 E184 R189 R190 | T182-T186 VanDerWaalsContact O-CG2 3.31Å; T182-T186 WeakPolarHBondContact O-CG2 3.03Å; T182-T186 PolarHBondContact O-N 3.45Å; T182-T186 PolarHBondContact O-OG1 2.92Å; A183-T186 WeakPolarHBondContact CA-OG1 3.37Å; A183-T186 PolarHBondContact O-N 2.89Å; A183-T186 PolarHBondContact O-OG1 2.84Å; E184-T186 PolarHBondContact O-N 3.19Å; T186-R189 PolarHBondContact O-N 2.86Å; T186-R190 WeakPolarHBondContact O-CB 3.32Å; T186-R190 PolarHBondContact O-N 3.15Å |
| 187 | A | 85.6 | Confident | 84.4 | Confident | 57 Ų | 57 | 107.9 Ų | 107.9 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | A183 E184 R189 R190 K191 | A183-A187 VanDerWaalsContact O-CB 3.25Å; A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 3.02Å; E184-A187 PolarHBondContact O-N 2.86Å; A187-R189 VanDerWaalsContact C-N 3.32Å; A187-R189 PolarHBondContact O-N 3.43Å; A187-R190 PolarHBondContact O-N 3.11Å; A187-K191 WeakPolarHBondContact O-CB 3.38Å; A187-K191 PolarHBondContact O-N 2.99Å |
| 188 | V | 88.3 | Confident | 83.9 | Confident | 101 Ų | 101 | 101.1 Ų | 101.1 | 61% | 0.612 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.3 | -43.9 | 174.4 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | E184 K191 A192 | E184-V188 VanDerWaalsContact O-CG2 3.29Å; E184-V188 WeakPolarHBondContact O-CG2 3.37Å; E184-V188 PolarHBondContact O-N 2.97Å; V188-K191 PolarHBondContact O-N 2.96Å; V188-A192 WeakPolarHBondContact O-CB 3.3Å; V188-A192 PolarHBondContact O-N 3.35Å |
| 189 | R | 86.1 | Confident | 83.3 | Confident | 200 Ų | 200 | 101 Ų | 101 | 76% | 0.755 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.9 | -41.2 | 177.8 | -165.9 | 174.5 | -174.4 | 166.7 | 1.2 | 112.4 | N185 T186 A187 A192 L193 | N185-R189 WeakPolarHBondContact O-CB 3.37Å; N185-R189 PolarHBondContact O-N 2.95Å; N185-R189 VanDerWaalsContact O-N 3.07Å; T186-R189 PolarHBondContact O-N 2.86Å; A187-R189 VanDerWaalsContact C-N 3.32Å; A187-R189 PolarHBondContact O-N 3.43Å; R189-A192 PolarHBondContact O-N 3.42Å; R189-L193 WeakPolarHBondContact O-CB 3.28Å; R189-L193 PolarHBondContact O-N 3.15Å |
| 190 | R | 86.2 | Confident | 82.7 | Confident | 189 Ų | 189 | 101.9 Ų | 101.9 | 71% | 0.713 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.7 | -43 | 176.7 | -159.5 | 178.5 | -159.2 | 150.5 | 1.5 | 111.2 | T186 A187 L193 L194 | T186-R190 WeakPolarHBondContact O-CB 3.32Å; T186-R190 PolarHBondContact O-N 3.15Å; A187-R190 PolarHBondContact O-N 3.11Å; R190-L193 PolarHBondContact O-N 3.07Å; R190-L194 HydrophobicContact CG-CD1 4.4Å; R190-L194 WeakPolarHBondContact O-CB 3.39Å; R190-L194 VanDerWaalsContact O-CG 3.31Å; R190-L194 WeakPolarHBondContact O-CG 3.33Å; R190-L194 PolarHBondContact O-N 3.12Å |
| 191 | K | 89.5 | Confident | 81.8 | Confident | 163 Ų | 163 | 105.3 Ų | 105.3 | 71% | 0.709 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.4 | -42 | 176.7 | -170.3 | 175.3 | -178.7 | 177.2 | 0 | 112 | A187 V188 L194 A195 | A187-K191 WeakPolarHBondContact O-CB 3.38Å; A187-K191 PolarHBondContact O-N 2.99Å; V188-K191 PolarHBondContact O-N 2.96Å; K191-L194 PolarHBondContact O-N 3.23Å; K191-A195 WeakPolarHBondContact O-CB 3.49Å; K191-A195 PolarHBondContact O-N 3.38Å |
| 192 | A | 88.3 | Confident | 80.7 | Confident | 61 Ų | 61 | 109.8 Ų | 109.8 | 50% | 0.504 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.7 | -44.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V188 R189 A195 E196 | V188-A192 WeakPolarHBondContact O-CB 3.3Å; V188-A192 PolarHBondContact O-N 3.35Å; R189-A192 PolarHBondContact O-N 3.42Å; A192-A195 PolarHBondContact O-N 2.95Å; A192-E196 PolarHBondContact O-N 3.29Å |
| 193 | L | 85.6 | Confident | 79.5 | Confident | 98 Ų | 98 | 113.2 Ų | 113.2 | 51% | 0.513 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.6 | -41.9 | 177.9 | -173.8 | 140.3 | 0 | 0 | 0 | 112.2 | R189 R190 E196 I197 | R189-L193 WeakPolarHBondContact O-CB 3.28Å; R189-L193 PolarHBondContact O-N 3.15Å; R190-L193 PolarHBondContact O-N 3.07Å; L193-E196 PolarHBondContact O-N 3.4Å; L193-I197 HydrophobicContact CD2-CD1 3.6Å; L193-I197 HydrophobicContact CG-CD1 4.38Å; L193-I197 VanDerWaalsContact O-CG1 3.3Å; L193-I197 WeakPolarHBondContact O-CG1 3.37Å; L193-I197 PolarHBondContact O-N 3.09Å |
| 194 | L | 85.6 | Confident | 78.1 | Confident | 105 Ų | 105 | 116.2 Ų | 116.2 | 55% | 0.55 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.7 | -38.2 | 174.6 | -72.4 | 170.3 | 0 | 0 | 0 | 112.3 | R190 K191 I197 A198 | R190-L194 HydrophobicContact CG-CD1 4.4Å; R190-L194 WeakPolarHBondContact O-CB 3.39Å; R190-L194 VanDerWaalsContact O-CG 3.31Å; R190-L194 WeakPolarHBondContact O-CG 3.33Å; R190-L194 PolarHBondContact O-N 3.12Å; K191-L194 PolarHBondContact O-N 3.23Å; L194-I197 PolarHBondContact O-N 3.39Å; L194-A198 WeakPolarHBondContact O-CB 3.32Å; L194-A198 PolarHBondContact O-N 2.97Å |
| 195 | A | 84.4 | Confident | 76.8 | Confident | 49 Ų | 49 | 119 Ų | 119 | 41% | 0.405 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.2 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K191 A192 A198 Q199 | K191-A195 WeakPolarHBondContact O-CB 3.49Å; K191-A195 PolarHBondContact O-N 3.38Å; A192-A195 PolarHBondContact O-N 2.95Å; A195-A198 PolarHBondContact O-N 2.85Å; A195-Q199 WeakPolarHBondContact O-CG 3.39Å; A195-Q199 PolarHBondContact O-N 3.23Å |
| 196 | E | 80.3 | Confident | 75.7 | Confident | 95 Ų | 95 | 119.9 Ų | 119.9 | 44% | 0.444 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.4 | -42.8 | 175.5 | -166.7 | -174.4 | 164.5 | 0 | 0 | 111.6 | A192 L193 A198 Q199 R200 | A192-E196 PolarHBondContact O-N 3.29Å; L193-E196 PolarHBondContact O-N 3.4Å; E196-A198 PolarHBondContact O-N 3.05Å; E196-Q199 PolarHBondContact O-N 3.5Å; E196-R200 WeakPolarHBondContact O-CG 3.24Å; E196-R200 PolarHBondContact O-N 2.95Å; E196-R200 IonicContact OE1-CZ 3.48Å; E196-R200 IonicContact OE1-NE 3.53Å; E196-R200 IonicContact OE1-NH2 2.72Å; E196-R200 PolarHBondContact OE1-NH2 3.11Å |
| 197 | I | 76.4 | Confident | 75 | Confident | 76 Ų | 76 | 126.2 Ų | 126.2 | 39% | 0.39 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.4 | -41.7 | 175.5 | -66.9 | 167.1 | 0 | 0 | 0 | 111 | L193 L194 Q199 R200 K201 | L193-I197 HydrophobicContact CD2-CD1 3.6Å; L193-I197 HydrophobicContact CG-CD1 4.38Å; L193-I197 VanDerWaalsContact O-CG1 3.3Å; L193-I197 WeakPolarHBondContact O-CG1 3.37Å; L193-I197 PolarHBondContact O-N 3.09Å; L194-I197 PolarHBondContact O-N 3.39Å; I197-Q199 VanDerWaalsContact C-N 3.33Å; I197-Q199 PolarHBondContact O-N 2.91Å; I197-R200 PolarHBondContact O-N 3.01Å; I197-K201 WeakPolarHBondContact O-CG 3.2Å; I197-K201 PolarHBondContact O-N 3.31Å; I197-K201 VanDerWaalsContact O-N 3.12Å |
| 198 | A | 77.6 | Confident | 74.2 | Confident | 51 Ų | 51 | 134.6 Ų | 134.6 | 42% | 0.421 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -63.9 | -37.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L194 A195 E196 K201 | L194-A198 WeakPolarHBondContact O-CB 3.32Å; L194-A198 PolarHBondContact O-N 2.97Å; A195-A198 PolarHBondContact O-N 2.85Å; E196-A198 PolarHBondContact O-N 3.05Å; A198-K201 PolarHBondContact O-N 2.71Å |
| 199 | Q | 71.1 | Confident | 73.5 | Confident | 141 Ų | 141 | 133 Ų | 133 | 66% | 0.659 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.7 | -38.9 | 174.9 | -72.9 | 179 | 2.6 | 0 | 0 | 112.3 | A195 E196 I197 K201 N202 | A195-Q199 WeakPolarHBondContact O-CG 3.39Å; A195-Q199 PolarHBondContact O-N 3.23Å; E196-Q199 PolarHBondContact O-N 3.5Å; I197-Q199 VanDerWaalsContact C-N 3.33Å; I197-Q199 PolarHBondContact O-N 2.91Å; Q199-K201 VanDerWaalsContact C-N 3.3Å; Q199-K201 PolarHBondContact O-N 3.45Å; Q199-N202 PolarHBondContact O-N 3.39Å |
| 200 | R | 67.8 | Low | 73.4 | Confident | 172 Ų | 172 | 126.8 Ų | 126.8 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.4 | -27.7 | 176.6 | -69.3 | -177.7 | -173.3 | -154.9 | 4.9 | 113.4 | E196 I197 N202 | E196-R200 WeakPolarHBondContact O-CG 3.24Å; E196-R200 PolarHBondContact O-N 2.95Å; E196-R200 IonicContact OE1-CZ 3.48Å; E196-R200 IonicContact OE1-NE 3.53Å; E196-R200 IonicContact OE1-NH2 2.72Å; E196-R200 PolarHBondContact OE1-NH2 3.11Å; I197-R200 PolarHBondContact O-N 3.01Å; R200-N202 VanDerWaalsContact C-N 3.28Å; R200-N202 PolarHBondContact O-N 2.9Å |
| 201 | K | 65.1 | Low | 73.5 | Confident | 168 Ų | 168 | 125.2 Ų | 125.2 | 73% | 0.73 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.2 | -15.9 | 176.5 | -73.7 | -175.7 | 177.5 | -173.1 | 0 | 114 | I197 A198 Q199 L203 | I197-K201 WeakPolarHBondContact O-CG 3.2Å; I197-K201 PolarHBondContact O-N 3.31Å; I197-K201 VanDerWaalsContact O-N 3.12Å; A198-K201 PolarHBondContact O-N 2.71Å; Q199-K201 VanDerWaalsContact C-N 3.3Å; Q199-K201 PolarHBondContact O-N 3.45Å; K201-L203 VanDerWaalsContact C-N 3.33Å |
| 202 | N | 61.7 | Low | 73.6 | Confident | 137 Ų | 137 | 125.1 Ų | 125.1 | 73% | 0.733 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 22.9 | 177.2 | -69 | -32.2 | 0 | 0 | 0 | 113.4 | Q199 R200 | Q199-N202 PolarHBondContact O-N 3.39Å; R200-N202 VanDerWaalsContact C-N 3.28Å; R200-N202 PolarHBondContact O-N 2.9Å |
| 203 | L | 57.3 | Low | 73.5 | Confident | 128 Ų | 128 | 126.6 Ų | 126.6 | 67% | 0.67 | 62% | 0.62 | S | S | * | * | trans | -83.7 | 125.9 | 171.4 | -100.5 | 72.5 | 0 | 0 | 0 | 110.4 | K201 E205 | K201-L203 VanDerWaalsContact C-N 3.33Å; L203-E205 PolarHBondContact O-N 3.37Å | ||
| 204 | P | 53.1 | Low | 73.6 | Confident | 118 Ų | 118 | 126.4 Ų | 126.4 | 77% | 0.766 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -69.6 | 124.5 | 176.6 | 29.7 | -30.6 | 0 | 0 | 0 | 108.8 | ||
| 205 | E | 58.8 | Low | 74 | Confident | 183 Ų | 183 | 126.2 Ų | 126.2 | 86% | 0.855 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 55.6 | 104.7 | 171.5 | -158 | 169.3 | -175.8 | 0 | 0 | 115.4 | L203 R207 | L203-E205 PolarHBondContact O-N 3.37Å; E205-R207 VanDerWaalsContact C-N 3.34Å; E205-R207 PolarHBondContact O-N 3.24Å |
| 206 | V | 58.3 | Low | 74.4 | Confident | 134 Ų | 134 | 126.1 Ų | 126.1 | 81% | 0.812 | 62% | 0.617 | S | S | * | * | trans | -57 | 96.1 | 171.8 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | R208 | V206-R208 PolarHBondContact O-N 2.97Š| ||
| 207 | R | 67.7 | Low | 74.8 | Confident | 224 Ų | 224 | 126.8 Ų | 126.8 | 85% | 0.845 | 62% | 0.62 | S | S | * | * | trans | -57.8 | 114.7 | 167.9 | -167.9 | 177.1 | -179 | 134.9 | -0.9 | 106.4 | E205 L209 | E205-R207 VanDerWaalsContact C-N 3.34Å; E205-R207 PolarHBondContact O-N 3.24Å; R207-L209 PolarHBondContact O-N 3.42Å | ||
| 208 | R | 68.9 | Low | 75.7 | Confident | 233 Ų | 233 | 125.6 Ų | 125.6 | 88% | 0.879 | 62% | 0.621 | S | S | * | * | trans | -58.7 | 115 | 177.2 | -66.8 | -163.1 | -178.7 | -165 | 1.7 | 107.6 | V206 T210 | V206-R208 PolarHBondContact O-N 2.97Å; R208-T210 PolarHBondContact O-N 2.92Å | ||
| 209 | L | 72.9 | Confident | 76.5 | Confident | 69 Ų | 69 | 130.1 Ų | 130.1 | 36% | 0.361 | 63% | 0.632 | S | S | . | * | trans | -53.8 | 127.9 | -178.2 | -162.8 | 68.9 | 0 | 0 | 0 | 108.3 | R207 E213 L214 | R207-L209 PolarHBondContact O-N 3.42Å; L209-E213 HydrophobicContact CD1-CB 3.44Å; L209-E213 VanDerWaalsContact CD1-CB 3.44Å; L209-E213 HydrophobicContact CD1-CG 4.05Å; L209-E213 VanDerWaalsContact CD1-OE2 3.32Å; L209-E213 WeakPolarHBondContact CD1-OE2 3.45Å; L209-E213 HydrophobicContact CD2-CB 3.92Å; L209-E213 HydrophobicContact CG-CB 3.35Å; L209-E213 HydrophobicContact CG-CG 4.42Å; L209-L214 HydrophobicContact CB-CD2 4.43Å; L209-L214 HydrophobicContact CB-CG 4.16Å; L209-L214 HydrophobicContact CD2-CD2 3.95Å; L209-L214 HydrophobicContact CD2-CG 3.98Å; L209-L214 HydrophobicContact CG-CG 4.28Å | ||
| 210 | T | 85.9 | Confident | 77.7 | Confident | 68 Ų | 68 | 128.3 Ų | 128.3 | 42% | 0.417 | 63% | 0.625 | S | S | . | * | trans | -60.8 | 155.8 | -179.9 | 59.9 | 0 | 0 | 0 | 0 | 109.5 | R208 E212 E213 L214 | R208-T210 PolarHBondContact O-N 2.92Å; T210-E212 PolarHBondContact O-N 3.47Å; T210-E212 VanDerWaalsContact O-N 3.13Å; T210-E213 WeakPolarHBondContact CB-OE2 3.48Å; T210-E213 PolarHBondContact N-OE2 2.82Å; T210-E213 PolarHBondContact O-N 2.9Å; T210-E213 VanDerWaalsContact OG1-CG 3.25Å; T210-E213 WeakPolarHBondContact OG1-CG 3.42Å; T210-E213 PolarHBondContact OG1-OE2 3.24Å; T210-L214 PolarHBondContact O-N 3.2Å | ||
| 211 | Q | 87.4 | Confident | 78.8 | Confident | 157 Ų | 157 | 123.1 Ų | 123.1 | 73% | 0.734 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -55.9 | -34.2 | -178.7 | -174.4 | 175.7 | 4.3 | 0 | 0 | 112.3 | L215 | Q211-L215 WeakPolarHBondContact O-CG 3.43Å; Q211-L215 PolarHBondContact O-N 2.89Å; Q211-L215 VanDerWaalsContact O-N 3.08Å |
| 212 | E | 90.4 | Very high | 80.2 | Confident | 160 Ų | 160 | 121.4 Ų | 121.4 | 75% | 0.748 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.2 | -41.5 | 177 | -63.9 | -175 | 169.7 | 0 | 0 | 112.6 | T210 L215 A216 | T210-E212 PolarHBondContact O-N 3.47Å; T210-E212 VanDerWaalsContact O-N 3.13Å; E212-L215 PolarHBondContact O-N 3.09Å; E212-A216 PolarHBondContact O-N 2.92Å |
| 213 | E | 88 | Confident | 81.9 | Confident | 92 Ų | 92 | 121.8 Ų | 121.8 | 43% | 0.43 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.4 | -36.1 | 177.8 | -73.1 | 167 | 149 | 0 | 0 | 111.5 | L209 T210 L215 A216 E217 | L209-E213 HydrophobicContact CD1-CB 3.44Å; L209-E213 VanDerWaalsContact CD1-CB 3.44Å; L209-E213 HydrophobicContact CD1-CG 4.05Å; L209-E213 VanDerWaalsContact CD1-OE2 3.32Å; L209-E213 WeakPolarHBondContact CD1-OE2 3.45Å; L209-E213 HydrophobicContact CD2-CB 3.92Å; L209-E213 HydrophobicContact CG-CB 3.35Å; L209-E213 HydrophobicContact CG-CG 4.42Å; T210-E213 WeakPolarHBondContact CB-OE2 3.48Å; T210-E213 PolarHBondContact N-OE2 2.82Å; T210-E213 PolarHBondContact O-N 2.9Å; T210-E213 VanDerWaalsContact OG1-CG 3.25Å; T210-E213 WeakPolarHBondContact OG1-CG 3.42Å; T210-E213 PolarHBondContact OG1-OE2 3.24Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 3.16Å; E213-A216 PolarHBondContact O-N 3.46Å; E213-E217 PolarHBondContact O-N 3.27Å |
| 214 | L | 87.5 | Confident | 83.6 | Confident | 94 Ų | 94 | 120.6 Ų | 120.6 | 49% | 0.492 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.4 | -42.2 | 169.9 | -78.6 | 165.9 | 0 | 0 | 0 | 111.6 | L209 T210 A216 E217 A218 | L209-L214 HydrophobicContact CB-CD2 4.43Å; L209-L214 HydrophobicContact CB-CG 4.16Å; L209-L214 HydrophobicContact CD2-CD2 3.95Å; L209-L214 HydrophobicContact CD2-CG 3.98Å; L209-L214 HydrophobicContact CG-CG 4.28Å; T210-L214 PolarHBondContact O-N 3.2Å; L214-A216 VanDerWaalsContact C-N 3.32Å; L214-E217 PolarHBondContact O-N 3.31Å; L214-A218 VanDerWaalsContact O-CB 3.28Å; L214-A218 WeakPolarHBondContact O-CB 3.49Å; L214-A218 PolarHBondContact O-N 3.3Å |
| 215 | L | 92.7 | Very high | 85.5 | Confident | 101 Ų | 101 | 119.9 Ų | 119.9 | 53% | 0.529 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.4 | -32.5 | 175.7 | -70.5 | 174 | 0 | 0 | 0 | 112.2 | Q211 E212 E213 K219 | Q211-L215 WeakPolarHBondContact O-CG 3.43Å; Q211-L215 PolarHBondContact O-N 2.89Å; Q211-L215 VanDerWaalsContact O-N 3.08Å; E212-L215 PolarHBondContact O-N 3.09Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 3.16Å; L215-K219 WeakPolarHBondContact O-CG 3.5Å; L215-K219 PolarHBondContact O-N 3.33Å; L215-K219 VanDerWaalsContact O-N 3.11Å |
| 216 | A | 93.2 | Very high | 87.3 | Confident | 47 Ų | 47 | 120.6 Ų | 120.6 | 39% | 0.388 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.6 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | E212 E213 L214 K219 I220 | E212-A216 PolarHBondContact O-N 2.92Å; E213-A216 PolarHBondContact O-N 3.46Å; L214-A216 VanDerWaalsContact C-N 3.32Å; A216-K219 PolarHBondContact O-N 2.91Å; A216-I220 WeakPolarHBondContact O-CG1 3.41Å; A216-I220 PolarHBondContact O-N 3.11Å; A216-I220 VanDerWaalsContact O-N 3.16Å |
| 217 | E | 89.1 | Confident | 89.1 | Confident | 110 Ų | 110 | 124.1 Ų | 124.1 | 51% | 0.514 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.2 | -39.6 | 174.8 | -171.8 | 174.7 | -175 | 0 | 0 | 111.6 | E213 L214 K219 I220 T221 | E213-E217 PolarHBondContact O-N 3.27Å; L214-E217 PolarHBondContact O-N 3.31Å; E217-K219 VanDerWaalsContact C-N 3.31Å; E217-K219 PolarHBondContact O-N 2.85Å; E217-I220 PolarHBondContact O-N 3.13Å; E217-T221 HydrophobicContact CG-CG2 4.44Å; E217-T221 WeakPolarHBondContact O-CG2 3.45Å; E217-T221 PolarHBondContact O-N 3.37Å; E217-T221 PolarHBondContact O-OG1 3.16Å |
| 218 | A | 94.2 | Very high | 90.2 | Very high | 50 Ų | 50 | 116.6 Ų | 116.6 | 41% | 0.413 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.4 | -41 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L214 T221 E222 | L214-A218 VanDerWaalsContact O-CB 3.28Å; L214-A218 WeakPolarHBondContact O-CB 3.49Å; L214-A218 PolarHBondContact O-N 3.3Å; A218-T221 WeakPolarHBondContact CA-OG1 3.22Å; A218-T221 PolarHBondContact O-OG1 2.93Å; A218-E222 VanDerWaalsContact O-CB 3.3Å; A218-E222 WeakPolarHBondContact O-CB 3.47Å; A218-E222 PolarHBondContact O-N 3.25Å |
| 219 | K | 96 | Very high | 91.3 | Very high | 147 Ų | 147 | 110 Ų | 110 | 64% | 0.639 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65 | -41.7 | 176 | -74.4 | 171.3 | -177 | 177.3 | 0 | 112.7 | L215 A216 E217 E222 E223 | L215-K219 WeakPolarHBondContact O-CG 3.5Å; L215-K219 PolarHBondContact O-N 3.33Å; L215-K219 VanDerWaalsContact O-N 3.11Å; A216-K219 PolarHBondContact O-N 2.91Å; E217-K219 VanDerWaalsContact C-N 3.31Å; E217-K219 PolarHBondContact O-N 2.85Å; K219-E222 PolarHBondContact O-N 3.44Å; K219-E223 PolarHBondContact O-N 3.04Å |
| 220 | I | 95.2 | Very high | 92.4 | Very high | 102 Ų | 102 | 108.6 Ų | 108.6 | 52% | 0.523 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 179.3 | -65.1 | 166.7 | 0 | 0 | 0 | 110.2 | A216 E217 E222 E223 I224 | A216-I220 WeakPolarHBondContact O-CG1 3.41Å; A216-I220 PolarHBondContact O-N 3.11Å; A216-I220 VanDerWaalsContact O-N 3.16Å; E217-I220 PolarHBondContact O-N 3.13Å; I220-E222 VanDerWaalsContact C-N 3.35Å; I220-E223 PolarHBondContact O-N 3.38Å; I220-I224 HydrophobicContact CG2-CD1 3.93Å; I220-I224 WeakPolarHBondContact O-CG1 3.38Å; I220-I224 PolarHBondContact O-N 3.02Å |
| 221 | T | 91.7 | Very high | 92.7 | Very high | 63 Ų | 63 | 114 Ų | 114 | 39% | 0.387 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.4 | -37.6 | 177.4 | 52 | 0 | 0 | 0 | 0 | 111.9 | E217 A218 I224 N225 | E217-T221 HydrophobicContact CG-CG2 4.44Å; E217-T221 WeakPolarHBondContact O-CG2 3.45Å; E217-T221 PolarHBondContact O-N 3.37Å; E217-T221 PolarHBondContact O-OG1 3.16Å; A218-T221 WeakPolarHBondContact CA-OG1 3.22Å; A218-T221 PolarHBondContact O-OG1 2.93Å; T221-I224 PolarHBondContact O-N 3.19Å; T221-N225 VanDerWaalsContact O-CB 3.31Å; T221-N225 WeakPolarHBondContact O-CB 3.35Å; T221-N225 PolarHBondContact O-N 2.9Å; T221-N225 PolarHBondContact O-ND2 3.22Å |
| 222 | E | 94.3 | Very high | 93 | Very high | 132 Ų | 132 | 113.8 Ų | 113.8 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.3 | -44.1 | 172 | -170.7 | -173.7 | 170.9 | 0 | 0 | 111.6 | A218 K219 I220 N225 R226 | A218-E222 VanDerWaalsContact O-CB 3.3Å; A218-E222 WeakPolarHBondContact O-CB 3.47Å; A218-E222 PolarHBondContact O-N 3.25Å; K219-E222 PolarHBondContact O-N 3.44Å; I220-E222 VanDerWaalsContact C-N 3.35Å; E222-N225 PolarHBondContact O-N 2.94Å; E222-R226 VanDerWaalsContact O-CB 3.31Å; E222-R226 WeakPolarHBondContact O-CB 3.49Å; E222-R226 PolarHBondContact O-N 3.16Å |
| 223 | E | 96.3 | Very high | 93.2 | Very high | 146 Ų | 146 | 111.3 Ų | 111.3 | 68% | 0.682 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.3 | -42.2 | 177.6 | -168.3 | 177.1 | -178 | 0 | 0 | 112 | K219 I220 R226 R227 | K219-E223 PolarHBondContact O-N 3.04Å; I220-E223 PolarHBondContact O-N 3.38Å; E223-R226 PolarHBondContact O-N 3.43Å; E223-R227 WeakPolarHBondContact O-CB 3.5Å; E223-R227 PolarHBondContact O-N 3.49Å |
| 224 | I | 94.5 | Very high | 93.4 | Very high | 102 Ų | 102 | 115.4 Ų | 115.4 | 52% | 0.523 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 175.5 | -67.5 | 167.1 | 0 | 0 | 0 | 110.5 | I220 T221 R226 R227 S228 | I220-I224 HydrophobicContact CG2-CD1 3.93Å; I220-I224 WeakPolarHBondContact O-CG1 3.38Å; I220-I224 PolarHBondContact O-N 3.02Å; T221-I224 PolarHBondContact O-N 3.19Å; I224-R226 VanDerWaalsContact C-N 3.35Å; I224-R226 PolarHBondContact O-N 3.12Å; I224-R227 PolarHBondContact O-N 3.03Å; I224-S228 PolarHBondContact O-N 3.16Å; I224-S228 PolarHBondContact O-OG 3.5Å |
| 225 | N | 92.2 | Very high | 93.6 | Very high | 103 Ų | 103 | 114.8 Ų | 114.8 | 55% | 0.551 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.3 | -39.6 | 177.9 | -73.6 | -16.8 | 0 | 0 | 0 | 111.7 | T221 E222 R227 S228 L229 | T221-N225 VanDerWaalsContact O-CB 3.31Å; T221-N225 WeakPolarHBondContact O-CB 3.35Å; T221-N225 PolarHBondContact O-N 2.9Å; T221-N225 PolarHBondContact O-ND2 3.22Å; E222-N225 PolarHBondContact O-N 2.94Å; N225-R227 VanDerWaalsContact C-N 3.34Å; N225-R227 PolarHBondContact O-N 3.26Å; N225-S228 WeakPolarHBondContact CA-OG 3.37Å; N225-S228 PolarHBondContact O-N 3.34Å; N225-S228 PolarHBondContact O-OG 2.97Å; N225-L229 VanDerWaalsContact O-CB 3.25Å; N225-L229 WeakPolarHBondContact O-CB 3.45Å; N225-L229 PolarHBondContact O-N 2.94Å |
| 226 | R | 96.2 | Very high | 93.4 | Very high | 199 Ų | 199 | 113.5 Ų | 113.5 | 75% | 0.751 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.5 | -40.2 | 175.5 | -169.6 | 176.6 | -178.8 | -179.9 | 1 | 111.4 | E222 E223 I224 A230 | E222-R226 VanDerWaalsContact O-CB 3.31Å; E222-R226 WeakPolarHBondContact O-CB 3.49Å; E222-R226 PolarHBondContact O-N 3.16Å; E223-R226 PolarHBondContact O-N 3.43Å; I224-R226 VanDerWaalsContact C-N 3.35Å; I224-R226 PolarHBondContact O-N 3.12Å; R226-A230 WeakPolarHBondContact O-CB 3.42Å; R226-A230 PolarHBondContact O-N 3.17Å |
| 227 | R | 95.8 | Very high | 93.2 | Very high | 207 Ų | 207 | 115.3 Ų | 115.3 | 78% | 0.781 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.5 | -41.1 | 178 | -171.1 | 175.7 | -180 | 168.6 | -0.5 | 112.3 | E223 I224 N225 A230 R231 | E223-R227 WeakPolarHBondContact O-CB 3.5Å; E223-R227 PolarHBondContact O-N 3.49Å; I224-R227 PolarHBondContact O-N 3.03Å; N225-R227 VanDerWaalsContact C-N 3.34Å; N225-R227 PolarHBondContact O-N 3.26Å; R227-A230 PolarHBondContact O-N 3.26Å; R227-R231 PolarHBondContact O-N 3.34Å |
| 228 | S | 91.3 | Very high | 93.1 | Very high | 66 Ų | 66 | 115.6 Ų | 115.6 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 177.6 | 66 | 0 | 0 | 0 | 0 | 111.3 | I224 N225 R231 Y232 | I224-S228 PolarHBondContact O-N 3.16Å; I224-S228 PolarHBondContact O-OG 3.5Å; N225-S228 WeakPolarHBondContact CA-OG 3.37Å; N225-S228 PolarHBondContact O-N 3.34Å; N225-S228 PolarHBondContact O-OG 2.97Å; S228-R231 PolarHBondContact O-N 2.66Å; S228-Y232 PolarHBondContact O-N 2.84Å |
| 229 | L | 93.3 | Very high | 92.8 | Very high | 95 Ų | 95 | 121.3 Ų | 121.3 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.2 | -45.7 | 174.2 | -169.4 | 163.1 | 0 | 0 | 0 | 111.4 | N225 R231 Y232 Q233 | N225-L229 VanDerWaalsContact O-CB 3.25Å; N225-L229 WeakPolarHBondContact O-CB 3.45Å; N225-L229 PolarHBondContact O-N 2.94Å; L229-R231 VanDerWaalsContact C-N 3.31Å; L229-R231 PolarHBondContact O-N 3.32Å; L229-Y232 WeakPolarHBondContact O-CB 3.49Å; L229-Y232 PolarHBondContact O-N 3.5Å; L229-Y232 VanDerWaalsContact O-N 3.16Å; L229-Q233 VanDerWaalsContact CD2-CD 3.44Å; L229-Q233 HydrophobicContact CD2-CG 3.89Å; L229-Q233 WeakPolarHBondContact O-CG 3.4Å; L229-Q233 PolarHBondContact O-N 3.04Å |
| 230 | A | 95.5 | Very high | 92.3 | Very high | 39 Ų | 39 | 121.7 Ų | 121.7 | 32% | 0.322 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.2 | -38.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R226 R227 R234 | R226-A230 WeakPolarHBondContact O-CB 3.42Å; R226-A230 PolarHBondContact O-N 3.17Å; R227-A230 PolarHBondContact O-N 3.26Å; A230-R234 WeakPolarHBondContact O-CG 3.47Å; A230-R234 PolarHBondContact O-N 3.03Å; A230-R234 VanDerWaalsContact O-N 3.13Å |
| 231 | R | 92.4 | Very high | 91.7 | Very high | 183 Ų | 183 | 124.4 Ų | 124.4 | 69% | 0.691 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.6 | -43.6 | 173.8 | -174.2 | -177.8 | 177.2 | -154.9 | -1 | 111.2 | R227 S228 L229 Q233 R234 L235 | R227-R231 PolarHBondContact O-N 3.34Å; S228-R231 PolarHBondContact O-N 2.66Å; L229-R231 VanDerWaalsContact C-N 3.31Å; L229-R231 PolarHBondContact O-N 3.32Å; R231-Q233 PolarHBondContact O-N 3.43Å; R231-R234 WeakPolarHBondContact O-CB 3.47Å; R231-R234 PolarHBondContact O-N 3.05Å; R231-L235 PolarHBondContact O-N 3.31Å; R231-L235 VanDerWaalsContact O-N 3.12Å |
| 232 | Y | 92.7 | Very high | 90.9 | Very high | 152 Ų | 152 | 125 Ų | 125 | 60% | 0.596 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.1 | -44.1 | 177.2 | -176.6 | -97 | 0 | 0 | 0 | 111.9 | S228 L229 R234 L235 E236 | S228-Y232 PolarHBondContact O-N 2.84Å; L229-Y232 WeakPolarHBondContact O-CB 3.49Å; L229-Y232 PolarHBondContact O-N 3.5Å; L229-Y232 VanDerWaalsContact O-N 3.16Å; Y232-R234 VanDerWaalsContact C-N 3.31Å; Y232-R234 PolarHBondContact O-N 3.11Å; Y232-L235 PolarHBondContact O-N 3.12Å; Y232-E236 HydrophobicContact CD1-CG 4.28Å; Y232-E236 HydrophobicContact CE1-CG 3.78Å; Y232-E236 PolarHBondContact O-N 2.93Å |
| 233 | Q | 94.3 | Very high | 89.7 | Confident | 108 Ų | 108 | 129.6 Ų | 129.6 | 51% | 0.505 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.3 | -40.2 | 175 | -74.9 | 179.3 | -12.8 | 0 | 0 | 112.5 | L229 R231 E236 I237 | L229-Q233 VanDerWaalsContact CD2-CD 3.44Å; L229-Q233 HydrophobicContact CD2-CG 3.89Å; L229-Q233 WeakPolarHBondContact O-CG 3.4Å; L229-Q233 PolarHBondContact O-N 3.04Å; R231-Q233 PolarHBondContact O-N 3.43Å; Q233-E236 WeakPolarHBondContact O-CB 3.5Å; Q233-E236 PolarHBondContact O-N 2.98Å; Q233-I237 WeakPolarHBondContact O-CB 3.45Å; Q233-I237 WeakPolarHBondContact O-CD1 3.45Å; Q233-I237 WeakPolarHBondContact O-CG1 3.47Å; Q233-I237 PolarHBondContact O-N 3.29Å |
| 234 | R | 93.6 | Very high | 88.4 | Confident | 177 Ų | 177 | 129.9 Ų | 129.9 | 67% | 0.668 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.4 | -45.6 | 175.4 | -72.7 | 178 | -176.2 | 178.5 | 1.1 | 111.7 | A230 R231 Y232 I237 E238 | A230-R234 WeakPolarHBondContact O-CG 3.47Å; A230-R234 PolarHBondContact O-N 3.03Å; A230-R234 VanDerWaalsContact O-N 3.13Å; R231-R234 WeakPolarHBondContact O-CB 3.47Å; R231-R234 PolarHBondContact O-N 3.05Å; Y232-R234 VanDerWaalsContact C-N 3.31Å; Y232-R234 PolarHBondContact O-N 3.11Å; R234-I237 PolarHBondContact O-N 3.13Å; R234-E238 WeakPolarHBondContact O-CG 3.34Å; R234-E238 PolarHBondContact O-N 2.84Å |
| 235 | L | 90.4 | Very high | 87.1 | Confident | 82 Ų | 82 | 133.3 Ų | 133.3 | 43% | 0.429 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.7 | -39.6 | 177.8 | -70 | 173.6 | 0 | 0 | 0 | 112.5 | R231 Y232 E238 K239 | R231-L235 PolarHBondContact O-N 3.31Å; R231-L235 VanDerWaalsContact O-N 3.12Å; Y232-L235 PolarHBondContact O-N 3.12Å; L235-E238 PolarHBondContact O-N 2.9Å; L235-K239 WeakPolarHBondContact O-CB 3.44Å; L235-K239 WeakPolarHBondContact O-CG 3.43Å; L235-K239 PolarHBondContact O-N 3.48Å |
| 236 | E | 89.2 | Confident | 86.1 | Confident | 73 Ų | 73 | 137.4 Ų | 137.4 | 34% | 0.341 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -59.2 | -44.6 | 172.4 | -99.4 | -95.6 | 139.5 | 0 | 0 | 111.8 | Y232 Q233 K239 K240 | Y232-E236 HydrophobicContact CD1-CG 4.28Å; Y232-E236 HydrophobicContact CE1-CG 3.78Å; Y232-E236 PolarHBondContact O-N 2.93Å; Q233-E236 WeakPolarHBondContact O-CB 3.5Å; Q233-E236 PolarHBondContact O-N 2.98Å; E236-K239 PolarHBondContact O-N 3.46Å; E236-K240 WeakPolarHBondContact O-CB 3.31Å; E236-K240 WeakPolarHBondContact O-CG 3.31Å; E236-K240 PolarHBondContact O-N 2.89Å; E236-K240 IonicContact OE2-NZ 3.58Å; E236-K240 PolarHBondContact OE2-NZ 2.82Å |
| 237 | I | 90 | Very high | 84.9 | Confident | 85 Ų | 85 | 133.3 Ų | 133.3 | 44% | 0.436 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66 | -42 | 177.4 | -69.2 | 164.7 | 0 | 0 | 0 | 110.7 | Q233 R234 K240 K241 | Q233-I237 WeakPolarHBondContact O-CB 3.45Å; Q233-I237 WeakPolarHBondContact O-CD1 3.45Å; Q233-I237 WeakPolarHBondContact O-CG1 3.47Å; Q233-I237 PolarHBondContact O-N 3.29Å; R234-I237 PolarHBondContact O-N 3.13Å; I237-K240 PolarHBondContact O-N 2.74Å; I237-K241 HydrophobicContact CG2-CD 3.84Å; I237-K241 HydrophobicContact CG2-CG 4.35Å; I237-K241 WeakPolarHBondContact O-CB 3.25Å; I237-K241 VanDerWaalsContact O-CG 3.24Å; I237-K241 WeakPolarHBondContact O-CG 3.45Å; I237-K241 PolarHBondContact O-N 3.13Å |
| 238 | E | 86.8 | Confident | 83.6 | Confident | 117 Ų | 117 | 129.6 Ų | 129.6 | 55% | 0.547 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.4 | -44.6 | 176.4 | -76.2 | 171.9 | -175.1 | 0 | 0 | 111.8 | R234 L235 K240 K241 A242 | R234-E238 WeakPolarHBondContact O-CG 3.34Å; R234-E238 PolarHBondContact O-N 2.84Å; L235-E238 PolarHBondContact O-N 2.9Å; E238-K240 VanDerWaalsContact C-N 3.31Å; E238-K240 PolarHBondContact O-N 3.25Å; E238-K241 PolarHBondContact O-N 2.95Å; E238-K241 VanDerWaalsContact O-N 3.11Å; E238-A242 PolarHBondContact O-N 2.97Å |
| 239 | K | 87.3 | Confident | 82.5 | Confident | 169 Ų | 169 | 131.5 Ų | 131.5 | 74% | 0.735 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -58.9 | -41.6 | 173.3 | -77.4 | -176.9 | 178 | -177.3 | 0 | 112 | L235 E236 K241 A242 | L235-K239 WeakPolarHBondContact O-CB 3.44Å; L235-K239 WeakPolarHBondContact O-CG 3.43Å; L235-K239 PolarHBondContact O-N 3.48Å; E236-K239 PolarHBondContact O-N 3.46Å; K239-K241 VanDerWaalsContact C-N 3.34Å; K239-A242 PolarHBondContact O-N 2.93Å |
| 240 | K | 85.2 | Confident | 81.6 | Confident | 155 Ų | 155 | 132.7 Ų | 132.7 | 67% | 0.674 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.6 | -30.3 | 176 | -77 | 168.5 | 173.2 | 156.1 | 0 | 113.1 | E236 I237 E238 | E236-K240 WeakPolarHBondContact O-CB 3.31Å; E236-K240 WeakPolarHBondContact O-CG 3.31Å; E236-K240 PolarHBondContact O-N 2.89Å; E236-K240 IonicContact OE2-NZ 3.58Å; E236-K240 PolarHBondContact OE2-NZ 2.82Å; I237-K240 PolarHBondContact O-N 2.74Å; E238-K240 VanDerWaalsContact C-N 3.31Å; E238-K240 PolarHBondContact O-N 3.25Å |
| 241 | K | 83.2 | Confident | 80.7 | Confident | 160 Ų | 160 | 135.1 Ų | 135.1 | 70% | 0.696 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.5 | -25.5 | 178.3 | -76.5 | 172.7 | 178 | 176.8 | 0 | 113.2 | I237 E238 K239 R243 | I237-K241 HydrophobicContact CG2-CD 3.84Å; I237-K241 HydrophobicContact CG2-CG 4.35Å; I237-K241 WeakPolarHBondContact O-CB 3.25Å; I237-K241 VanDerWaalsContact O-CG 3.24Å; I237-K241 WeakPolarHBondContact O-CG 3.45Å; I237-K241 PolarHBondContact O-N 3.13Å; E238-K241 PolarHBondContact O-N 2.95Å; E238-K241 VanDerWaalsContact O-N 3.11Å; K239-K241 VanDerWaalsContact C-N 3.34Å; K241-R243 PolarHBondContact O-N 3.14Å |
| 242 | A | 74.7 | Confident | 80.2 | Confident | 75 Ų | 75 | 131.2 Ų | 131.2 | 62% | 0.62 | 65% | 0.648 | S | S | * | * | trans | -73.6 | 73.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E238 K239 I244 | E238-A242 PolarHBondContact O-N 2.97Å; K239-A242 PolarHBondContact O-N 2.93Å; A242-I244 PolarHBondContact O-N 3.23Å | ||
| 243 | R | 69 | Low | 79.7 | Confident | 228 Ų | 228 | 128.3 Ų | 128.3 | 86% | 0.86 | 64% | 0.641 | S | S | * | * | trans | -83.8 | 106.4 | 173.9 | -158.3 | 179 | -170.4 | -160.1 | 3.1 | 109.3 | K241 Q245 | K241-R243 PolarHBondContact O-N 3.14Å; R243-Q245 PolarHBondContact O-N 3.11Å | ||
| 244 | I | 68.1 | Low | 79.5 | Confident | 152 Ų | 152 | 127.5 Ų | 127.5 | 78% | 0.779 | 64% | 0.639 | S | S | * | * | trans | -63.7 | 101.4 | 175.4 | -56.7 | 167.8 | 0 | 0 | 0 | 108.6 | A242 K246 | A242-I244 PolarHBondContact O-N 3.23Å; I244-K246 PolarHBondContact O-N 3.15Å | ||
| 245 | Q | 67.2 | Low | 79.3 | Confident | 175 Ų | 175 | 125.5 Ų | 125.5 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | trans | -73.8 | 107 | 167.5 | -89.2 | -176 | -6.1 | 0 | 0 | 108.4 | R243 T247 | R243-Q245 PolarHBondContact O-N 3.11Å; Q245-T247 PolarHBondContact O-N 2.74Å; Q245-T247 VanDerWaalsContact O-N 3.09Å | ||
| 246 | K | 71.4 | Confident | 79.4 | Confident | 188 Ų | 188 | 128.1 Ų | 128.1 | 82% | 0.817 | 64% | 0.637 | S | S | * | * | trans | -66.9 | 108.1 | 168.1 | -64.8 | -175.7 | 179.4 | -179 | 0 | 107.5 | I244 V248 | I244-K246 PolarHBondContact O-N 3.15Å; K246-V248 PolarHBondContact O-N 2.93Å; K246-V248 VanDerWaalsContact O-N 3.07Å | ||
| 247 | T | 71.3 | Confident | 79.6 | Confident | 113 Ų | 113 | 128.4 Ų | 128.4 | 69% | 0.693 | 64% | 0.638 | S | S | * | * | trans | -65.4 | 110.2 | 173.5 | 54.2 | 0 | 0 | 0 | 0 | 108 | Q245 N249 | Q245-T247 PolarHBondContact O-N 2.74Å; Q245-T247 VanDerWaalsContact O-N 3.09Å; T247-N249 PolarHBondContact O-N 3.17Å; T247-N249 VanDerWaalsContact O-N 3.15Å | ||
| 248 | V | 69 | Low | 79.8 | Confident | 130 Ų | 130 | 128.3 Ų | 128.3 | 79% | 0.788 | 65% | 0.645 | S | S | * | * | trans | -75.5 | 103.5 | 171.7 | -174 | 0 | 0 | 0 | 0 | 106 | K246 S250 | K246-V248 PolarHBondContact O-N 2.93Å; K246-V248 VanDerWaalsContact O-N 3.07Å; V248-S250 VanDerWaalsContact C-N 3.32Å; V248-S250 PolarHBondContact O-N 3.4Å | ||
| 249 | N | 67.5 | Low | 80 | Confident | 106 Ų | 106 | 126.7 Ų | 126.7 | 57% | 0.567 | 64% | 0.637 | S | S | * | * | trans | -67.7 | 96.6 | 174.4 | -65.4 | -8.2 | 0 | 0 | 0 | 107.7 | T247 T251 | T247-N249 PolarHBondContact O-N 3.17Å; T247-N249 VanDerWaalsContact O-N 3.15Å; N249-T251 PolarHBondContact O-N 3.22Å | ||
| 250 | S | 74.2 | Confident | 80.2 | Confident | 119 Ų | 119 | 123.6 Ų | 123.6 | 83% | 0.832 | 63% | 0.632 | S | S | * | * | trans | -86.6 | 66.7 | 172.8 | -169 | 0 | 0 | 0 | 0 | 108.6 | V248 | V248-S250 VanDerWaalsContact C-N 3.32Å; V248-S250 PolarHBondContact O-N 3.4Å | ||
| 251 | T | 77.8 | Confident | 80.2 | Confident | 90 Ų | 90 | 118.3 Ų | 118.3 | 55% | 0.552 | 61% | 0.612 | S | S | * | * | trans | -99 | 143.9 | 167.4 | 40.1 | 0 | 0 | 0 | 0 | 109.2 | N249 M253 | N249-T251 PolarHBondContact O-N 3.22Å; T251-M253 PolarHBondContact O-N 2.99Å | ||
| 252 | P | 81.6 | Confident | 80 | Confident | 102 Ų | 102 | 112.7 Ų | 112.7 | 66% | 0.662 | 59% | 0.592 | S | S | * | * | trans | -59.3 | 112.3 | 173.4 | 23.8 | -31.2 | 0 | 0 | 0 | 108.5 | A304 | P252-A304 VanDerWaalsContact CA-CB 3.5Å; P252-A304 HydrophobicContact CB-CB 3.3Å | ||
| 253 | M | 82.8 | Confident | 80.1 | Confident | 91 Ų | 91 | 111.2 Ų | 111.2 | 45% | 0.448 | 57% | 0.574 | S | S | . | * | trans | -122.2 | 147.1 | -178.5 | 78.3 | 176.2 | 64.8 | 0 | 0 | 111 | T251 | T251-M253 PolarHBondContact O-N 2.99Š| ||
| 254 | I | 89.1 | Confident | 80.2 | Confident | 90 Ų | 90 | 105.1 Ų | 105.1 | 46% | 0.462 | 56% | 0.557 | S | S | . | * | trans | -82.2 | 125.6 | 166 | -57 | 171.5 | 0 | 0 | 0 | 107.5 | I301 T302 F303 | I254-I301 HydrophobicContact CG2-CG2 3.56Å; I254-T302 CarbonylContact C-O 3.57Å; I254-T302 WeakPolarHBondContact CA-O 3.4Å; I254-F303 HydrophobicContact CD1-CD1 3.85Å; I254-F303 HydrophobicContact CD1-CE1 3.72Å; I254-F303 HydrophobicContact CG1-CD1 3.75Å; I254-F303 HydrophobicContact CG1-CE1 4.06Å; I254-F303 HydrophobicContact CG2-CD1 4.19Å; I254-F303 HydrophobicContact CG2-CE1 4.06Å; I254-F303 HydrophobicContact CG2-CZ 4.46Å | ||
| 255 | R | 89 | Confident | 80.1 | Confident | 135 Ų | 135 | 106.7 Ų | 106.7 | 51% | 0.509 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.4 | -179 | -162.4 | 178.1 | -67.7 | -176.1 | 3.6 | 110.8 | H257 T302 | R255-H257 WeakPolarHBondContact CD-CE1 3.34Å; R255-H257 VanDerWaalsContact CD-NE2 3.28Å; R255-H257 WeakPolarHBondContact CD-NE2 3.47Å; R255-T302 PolarHBondContact N-O 3.44Å; R255-T302 PolarHBondContact O-N 2.97Å |
| 256 | Y | 92.8 | Very high | 79.8 | Confident | 137 Ų | 137 | 105.4 Ų | 105.4 | 54% | 0.537 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100 | 125.8 | 177.1 | -170.4 | -92.7 | 0 | 0 | 0 | 110.2 | N299 I301 | Y256-N299 HydrophobicContact CE1-CB 4.43Å; Y256-N299 HydrophobicContact CE2-CB 3.91Å; Y256-N299 VanDerWaalsContact CZ-CG 3.47Å; Y256-N299 PolarHBondContact OH-ND2 3.45Å; Y256-N299 PolarHBondContact OH-OD1 2.94Å; Y256-I301 HydrophobicContact CD2-CD1 4.42Å; Y256-I301 HydrophobicContact CD2-CG1 3.96Å; Y256-I301 HydrophobicContact CE2-CG1 4.29Å |
| 257 | H | 93.8 | Very high | 78.9 | Confident | 79 Ų | 79 | 97.8 Ų | 97.8 | 37% | 0.366 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 115.6 | 177.1 | -64.4 | -71.1 | 0 | 0 | 0 | 109.2 | R255 N299 L300 | R255-H257 WeakPolarHBondContact CD-CE1 3.34Å; R255-H257 VanDerWaalsContact CD-NE2 3.28Å; R255-H257 WeakPolarHBondContact CD-NE2 3.47Å; H257-N299 CarbonylContact O-C 3.52Å; H257-N299 WeakPolarHBondContact O-CA 3.32Å; H257-L300 HydrophobicContact CB-CB 4.19Å; H257-L300 PolarHBondContact N-O 2.84Å; H257-L300 PolarHBondContact O-N 3.28Å |
| 258 | S | 93.1 | Very high | 78.2 | Confident | 84 Ų | 84 | 100.4 Ų | 100.4 | 59% | 0.587 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135.5 | 172.6 | 51.8 | 0 | 0 | 0 | 0 | 110.2 | N299 | S258-N299 WeakPolarHBondContact CB-OD1 3.35Å |
| 259 | F | 92.7 | Very high | 77.5 | Confident | 83 Ų | 83 | 100.5 Ų | 100.5 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 162.4 | 172.4 | 60.3 | -81.2 | 0 | 0 | 0 | 110.2 | V261 S297 R298 L300 | F259-V261 HydrophobicContact CD2-CG1 4.08Å; F259-V261 HydrophobicContact CD2-CG2 4.28Å; F259-V261 HydrophobicContact CE2-CG1 3.73Å; F259-V261 HydrophobicContact CE2-CG2 4.02Å; F259-S297 WeakPolarHBondContact O-CA 3.31Å; F259-R298 HydrophobicContact CE1-CB 4.32Å; F259-R298 HydrophobicContact CE1-CG 4.31Å; F259-R298 HydrophobicContact CE2-CB 4.07Å; F259-R298 HydrophobicContact CE2-CG 4.41Å; F259-R298 HydrophobicContact CZ-CB 3.94Å; F259-R298 HydrophobicContact CZ-CG 3.87Å; F259-R298 PolarHBondContact N-O 3.36Å; F259-R298 PolarHBondContact O-N 2.9Å; F259-L300 HydrophobicContact CD1-CD1 4.35Å; F259-L300 HydrophobicContact CE1-CD1 3.4Å; F259-L300 VanDerWaalsContact CE1-CD1 3.4Å; F259-L300 HydrophobicContact CE1-CG 3.74Å; F259-L300 HydrophobicContact CZ-CD1 4.03Å; F259-L300 HydrophobicContact CZ-CG 4.39Å |
| 260 | T | 90.1 | Very high | 76.9 | Confident | 104 Ų | 104 | 97.7 Ų | 97.7 | 64% | 0.638 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 135.8 | 179.7 | 46.3 | 0 | 0 | 0 | 0 | 110.4 | C296 | T260-C296 WeakPolarHBondContact CA-O 3.26Å |
| 261 | V | 85.1 | Confident | 76 | Confident | 43 Ų | 43 | 98.8 Ų | 98.8 | 26% | 0.261 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.8 | 179 | -103.3 | 0 | 0 | 0 | 0 | 109.5 | F259 K295 C296 R298 | F259-V261 HydrophobicContact CD2-CG1 4.08Å; F259-V261 HydrophobicContact CD2-CG2 4.28Å; F259-V261 HydrophobicContact CE2-CG1 3.73Å; F259-V261 HydrophobicContact CE2-CG2 4.02Å; V261-K295 CarbonylContact O-C 3.36Å; V261-K295 WeakPolarHBondContact O-CA 3.46Å; V261-C296 PolarHBondContact N-O 2.87Å; V261-C296 PolarHBondContact O-N 3.06Å; V261-C296 VanDerWaalsContact O-O 3.08Å; V261-R298 HydrophobicContact CG2-CB 3.31Å; V261-R298 HydrophobicContact CG2-CG 4.34Å |
| 262 | P | 78.7 | Confident | 74.9 | Confident | 43 Ų | 43 | 95.3 Ų | 95.3 | 28% | 0.279 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 145.6 | 176 | 24.8 | -30.6 | 0 | 0 | 0 | 111.5 | I264 T290 A294 | P262-I264 PolarHBondContact O-N 3.39Å; P262-T290 HydrophobicContact CB-CG2 3.91Å; P262-T290 HydrophobicContact CG-CG2 4.32Å; P262-A294 WeakPolarHBondContact CA-O 3.36Å |
| 263 | I | 78.5 | Confident | 73.5 | Confident | 44 Ų | 44 | 95.4 Ų | 95.4 | 23% | 0.226 | 48% | 0.475 | C | S | . | . | trans | -72.8 | 111 | 177.2 | -72.3 | 165.7 | 0 | 0 | 0 | 109.1 | E266 A294 C296 | I263-E266 HydrophobicContact CG2-CB 4.13Å; I263-E266 HydrophobicContact CG2-CG 4.2Å; I263-A294 HydrophobicContact CB-CB 4.37Å; I263-A294 PolarHBondContact N-O 3.37Å; I263-C296 HydrophobicContact CD1-CB 4.27Å; I263-C296 HydrophobicContact CG1-CB 3.59Å | ||
| 264 | I | 69.9 | Low | 72 | Confident | 99 Ų | 99 | 96.4 Ų | 96.4 | 51% | 0.508 | 48% | 0.481 | S | S | . | . | trans | -86.3 | -34.1 | -177 | -63.3 | 172.7 | 0 | 0 | 0 | 112.1 | P262 E266 Q267 I270 | P262-I264 PolarHBondContact O-N 3.39Å; I264-E266 VanDerWaalsContact C-N 3.28Å; I264-E266 PolarHBondContact O-N 3.35Å; I264-Q267 PolarHBondContact O-N 3.2Å; I264-I270 HydrophobicContact CG2-CD1 3.3Å; I264-I270 HydrophobicContact CG2-CG1 3.93Å | ||
| 265 | E | 66.5 | Low | 70.3 | Confident | 185 Ų | 185 | 95.9 Ų | 95.9 | 86% | 0.864 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -24.1 | -170.6 | -69 | -178.5 | 169.3 | 0 | 0 | 114.3 | ||
| 266 | E | 60 | Low | 68.6 | Low | 148 Ų | 148 | 95 Ų | 95 | 69% | 0.692 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -6.6 | 179.4 | -66.5 | -179 | 162.6 | 0 | 0 | 113.1 | I263 I264 | I263-E266 HydrophobicContact CG2-CB 4.13Å; I263-E266 HydrophobicContact CG2-CG 4.2Å; I264-E266 VanDerWaalsContact C-N 3.28Å; I264-E266 PolarHBondContact O-N 3.35Å |
| 267 | Q | 54.4 | Low | 67 | Low | 28 Ų | 28 | 96.1 Ų | 96.1 | 13% | 0.131 | 51% | 0.511 | C | S | . | . | trans | -119.5 | 86.4 | -174.6 | -70.6 | 177.4 | -9.5 | 0 | 0 | 110.5 | I264 N269 I270 D291 | I264-Q267 PolarHBondContact O-N 3.2Å; Q267-N269 PolarHBondContact O-N 3.02Å; Q267-I270 WeakPolarHBondContact O-CG1 3.45Å; Q267-D291 VanDerWaalsContact NE2-N 3.16Å; Q267-D291 PolarHBondContact NE2-OD2 2.95Å | ||
| 268 | H | 55.2 | Low | 65.4 | Low | 168 Ų | 168 | 99.2 Ų | 99.2 | 78% | 0.778 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -60.7 | -14.8 | -177.1 | -40.8 | 83 | 0 | 0 | 0 | 114.7 | ||
| 269 | N | 54.5 | Low | 63.7 | Low | 133 Ų | 133 | 100.8 Ų | 100.8 | 71% | 0.711 | 53% | 0.532 | S | S | * | . | trans | -116.8 | 63.5 | -176.3 | -67 | -19.5 | 0 | 0 | 0 | 111.2 | Q267 Y271 | Q267-N269 PolarHBondContact O-N 3.02Å; N269-Y271 PolarHBondContact O-N 2.91Å | ||
| 270 | I | 55.2 | Low | 62.1 | Low | 47 Ų | 47 | 106.9 Ų | 106.9 | 24% | 0.241 | 56% | 0.562 | C | S | . | * | trans | -66.6 | -25.8 | -174 | -51.6 | 157.1 | 0 | 0 | 0 | 112 | I264 Q267 | I264-I270 HydrophobicContact CG2-CD1 3.3Å; I264-I270 HydrophobicContact CG2-CG1 3.93Å; Q267-I270 WeakPolarHBondContact O-CG1 3.45Å | ||
| 271 | Y | 55.1 | Low | 60.5 | Low | 141 Ų | 141 | 107 Ų | 107 | 55% | 0.553 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -124.7 | 121.1 | -177.7 | -61.7 | -78.5 | 0 | 0 | 0 | 110.2 | N269 V273 A285 | N269-Y271 PolarHBondContact O-N 2.91Å; Y271-V273 PolarHBondContact O-N 2.96Å; Y271-A285 HydrophobicContact CD1-CB 4.38Å |
| 272 | G | 54.4 | Low | 59.1 | Low | 17 Ų | 17 | 109.2 Ų | 109.2 | 18% | 0.175 | 58% | 0.58 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.4 | 112.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | L274 G286 | G272-L274 PolarHBondContact O-N 3.21Å; G272-G286 WeakPolarHBondContact O-CA 3.44Å; G272-G286 PolarHBondContact O-N 3.36Å |
| 273 | V | 52.7 | Low | 58.1 | Low | 105 Ų | 105 | 114 Ų | 114 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.6 | 102.1 | 166.6 | 178.9 | 0 | 0 | 0 | 0 | 106.5 | Y271 A275 I283 | Y271-V273 PolarHBondContact O-N 2.96Å; V273-A275 PolarHBondContact O-N 2.76Å; V273-I283 HydrophobicContact CG1-CG2 4.29Å |
| 274 | L | 52.3 | Low | 57 | Low | 111 Ų | 111 | 121.2 Ų | 121.2 | 58% | 0.581 | 63% | 0.626 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.8 | 99.9 | 167.9 | -71.3 | 169.2 | 0 | 0 | 0 | 107.1 | G272 N276 | G272-L274 PolarHBondContact O-N 3.21Å; L274-N276 PolarHBondContact O-N 2.85Å |
| 275 | A | 52.1 | Low | 56.2 | Low | 79 Ų | 79 | 120.3 Ų | 120.3 | 65% | 0.653 | 63% | 0.634 | S | S | * | * | trans | -75.8 | 105.6 | 164 | 0 | 0 | 0 | 0 | 0 | 107.3 | V273 N277 | V273-A275 PolarHBondContact O-N 2.76Å; A275-N277 PolarHBondContact O-N 2.92Å | ||
| 276 | N | 53.9 | Low | 55.8 | Low | 118 Ų | 118 | 112 Ų | 112 | 63% | 0.631 | 60% | 0.598 | S | S | * | * | trans | -69.6 | 120.9 | 164.6 | -69.3 | -23.5 | 0 | 0 | 0 | 106.4 | L274 D278 D279 | L274-N276 PolarHBondContact O-N 2.85Å; N276-D278 PolarHBondContact O-N 3.49Å; N276-D279 PolarHBondContact O-N 3.33Å | ||
| 277 | N | 59 | Low | 55.8 | Low | 159 Ų | 159 | 110 Ų | 110 | 85% | 0.85 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -2.8 | -174.5 | -70.5 | -33.2 | 0 | 0 | 0 | 114.4 | A275 | A275-N277 PolarHBondContact O-N 2.92Š|
| 278 | D | 60.5 | Low | 55.9 | Low | 145 Ų | 145 | 113.2 Ų | 113.2 | 78% | 0.775 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -12.3 | -172 | -58.5 | -29.9 | 0 | 0 | 0 | 114 | N276 | N276-D278 PolarHBondContact O-N 3.49Š|
| 279 | D | 57.4 | Low | 56.1 | Low | 116 Ų | 116 | 110.7 Ų | 110.7 | 62% | 0.62 | 61% | 0.606 | S | S | * | * | trans | -146.2 | 96.4 | 178.3 | -73.4 | -50 | 0 | 0 | 0 | 112.1 | N276 S281 | N276-D279 PolarHBondContact O-N 3.33Å; D279-S281 PolarHBondContact O-N 3.37Å | ||
| 280 | E | 58 | Low | 56.4 | Low | 212 Ų | 212 | 105.8 Ų | 105.8 | 99% | 0.991 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -4.4 | -179.2 | -83.8 | -165.1 | 151.9 | 0 | 0 | 115.4 | ||
| 281 | S | 58 | Low | 56.9 | Low | 105 Ų | 105 | 108.7 Ų | 108.7 | 73% | 0.734 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -7.2 | -171 | 57.8 | 0 | 0 | 0 | 0 | 115.8 | D279 | D279-S281 PolarHBondContact O-N 3.37Š|
| 282 | T | 55.5 | Low | 57.5 | Low | 90 Ų | 90 | 107.3 Ų | 107.3 | 55% | 0.552 | 61% | 0.605 | S | S | * | * | trans | -121.9 | 88.3 | -176.7 | -44.3 | 0 | 0 | 0 | 0 | 112.5 | R284 | T282-R284 HydrophobicContact CG2-CG 4.31Å; T282-R284 PolarHBondContact O-N 2.98Å | ||
| 283 | I | 57 | Low | 58.5 | Low | 144 Ų | 144 | 112 Ų | 112 | 74% | 0.738 | 64% | 0.635 | S | S | * | * | trans | -71.3 | 98.7 | 168.2 | -56.5 | 173 | 0 | 0 | 0 | 108 | V273 | V273-I283 HydrophobicContact CG1-CG2 4.29Š| ||
| 284 | R | 56.3 | Low | 59.6 | Low | 195 Ų | 195 | 108.1 Ų | 108.1 | 74% | 0.736 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.1 | 129.4 | 167.1 | -82.6 | -166.6 | 175.7 | -164.6 | 1.1 | 109.5 | T282 G286 | T282-R284 HydrophobicContact CG2-CG 4.31Å; T282-R284 PolarHBondContact O-N 2.98Å; R284-G286 PolarHBondContact O-N 3.03Å; R284-G286 VanDerWaalsContact O-N 3.13Å |
| 285 | A | 53.1 | Low | 60.9 | Low | 81 Ų | 81 | 109.4 Ų | 109.4 | 67% | 0.669 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -60.9 | 115.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y271 | Y271-A285 HydrophobicContact CD1-CB 4.38Å |
| 286 | G | 57.9 | Low | 62.5 | Low | 11 Ų | 11 | 108.1 Ų | 108.1 | 11% | 0.113 | 60% | 0.601 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.8 | 170.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G272 R284 | G272-G286 WeakPolarHBondContact O-CA 3.44Å; G272-G286 PolarHBondContact O-N 3.36Å; R284-G286 PolarHBondContact O-N 3.03Å; R284-G286 VanDerWaalsContact O-N 3.13Å |
| 287 | P | 58.6 | Low | 64.1 | Low | 104 Ų | 104 | 106.7 Ų | 106.7 | 68% | 0.675 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -56.1 | 141.5 | 175.9 | 24.5 | -32.7 | 0 | 0 | 0 | 110.5 | I289 | P287-I289 PolarHBondContact O-N 3.31Å; P287-I289 VanDerWaalsContact O-N 3.09Å |
| 288 | I | 58.3 | Low | 65.5 | Low | 97 Ų | 97 | 106.4 Ų | 106.4 | 50% | 0.497 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -60 | 113.3 | -179.6 | -63.3 | 171 | 0 | 0 | 0 | 108.4 | T290 | I288-T290 HydrophobicContact CG2-CG2 3.24Å; I288-T290 WeakPolarHBondContact CG2-OG1 3.32Å; I288-T290 PolarHBondContact O-N 3.03Å; I288-T290 VanDerWaalsContact O-N 3.09Å |
| 289 | I | 59.3 | Low | 67 | Low | 115 Ų | 115 | 102.9 Ų | 102.9 | 59% | 0.59 | 57% | 0.568 | S | S | * | * | trans | -87 | 71.3 | 176.3 | -50 | 175.8 | 0 | 0 | 0 | 107 | P287 | P287-I289 PolarHBondContact O-N 3.31Å; P287-I289 VanDerWaalsContact O-N 3.09Å | ||
| 290 | T | 59.7 | Low | 68.7 | Low | 30 Ų | 30 | 101.4 Ų | 101.4 | 18% | 0.184 | 56% | 0.56 | C | S | . | * | trans | -110.5 | 133.5 | 171.7 | 55.5 | 0 | 0 | 0 | 0 | 109 | P262 I288 | P262-T290 HydrophobicContact CB-CG2 3.91Å; P262-T290 HydrophobicContact CG-CG2 4.32Å; I288-T290 HydrophobicContact CG2-CG2 3.24Å; I288-T290 WeakPolarHBondContact CG2-OG1 3.32Å; I288-T290 PolarHBondContact O-N 3.03Å; I288-T290 VanDerWaalsContact O-N 3.09Å | ||
| 291 | D | 65.7 | Low | 70.3 | Confident | 107 Ų | 107 | 95.7 Ų | 95.7 | 57% | 0.572 | 54% | 0.535 | S | S | * | . | trans | -53.6 | 123.4 | 173.6 | -70.3 | -43.9 | 0 | 0 | 0 | 110 | Q267 S293 A294 | Q267-D291 VanDerWaalsContact NE2-N 3.16Å; Q267-D291 PolarHBondContact NE2-OD2 2.95Å; D291-S293 PolarHBondContact O-N 3.25Å; D291-A294 HydrophobicContact CB-CB 4.25Å; D291-A294 PolarHBondContact O-N 3.45Å | ||
| 292 | P | 68.4 | Low | 71.8 | Confident | 113 Ų | 113 | 94.2 Ų | 94.2 | 73% | 0.734 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -12.8 | -176.1 | 25.3 | -34.4 | 0 | 0 | 0 | 113.3 | K295 | P292-K295 WeakPolarHBondContact O-CE 3.27Š|
| 293 | S | 74.7 | Confident | 73.5 | Confident | 114 Ų | 114 | 92.1 Ų | 92.1 | 80% | 0.797 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -28 | 176 | -167.1 | 0 | 0 | 0 | 0 | 113 | D291 K295 | D291-S293 PolarHBondContact O-N 3.25Å; S293-K295 PolarHBondContact O-N 3.34Å; S293-K295 VanDerWaalsContact O-N 3.11Å |
| 294 | A | 75.2 | Confident | 75 | Confident | 24 Ų | 24 | 87.1 Ų | 87.1 | 20% | 0.198 | 49% | 0.485 | C | S | . | . | trans | -87.1 | 84.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P262 I263 D291 | P262-A294 WeakPolarHBondContact CA-O 3.36Å; I263-A294 HydrophobicContact CB-CB 4.37Å; I263-A294 PolarHBondContact N-O 3.37Å; D291-A294 HydrophobicContact CB-CB 4.25Å; D291-A294 PolarHBondContact O-N 3.45Å | ||
| 295 | K | 80.7 | Confident | 76.5 | Confident | 139 Ų | 139 | 82.8 Ų | 82.8 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136 | 178.7 | -61.2 | 177.2 | -176.3 | 172.1 | 0 | 111.1 | V261 P292 S293 | V261-K295 CarbonylContact O-C 3.36Å; V261-K295 WeakPolarHBondContact O-CA 3.46Å; P292-K295 WeakPolarHBondContact O-CE 3.27Å; S293-K295 PolarHBondContact O-N 3.34Å; S293-K295 VanDerWaalsContact O-N 3.11Å |
| 296 | C | 85.7 | Confident | 77.9 | Confident | 52 Ų | 52 | 84.5 Ų | 84.5 | 35% | 0.351 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 158 | 165.1 | 65.5 | 0 | 0 | 0 | 0 | 111 | T260 V261 I263 | T260-C296 WeakPolarHBondContact CA-O 3.26Å; V261-C296 PolarHBondContact N-O 2.87Å; V261-C296 PolarHBondContact O-N 3.06Å; V261-C296 VanDerWaalsContact O-O 3.08Å; I263-C296 HydrophobicContact CD1-CB 4.27Å; I263-C296 HydrophobicContact CG1-CB 3.59Å |
| 297 | S | 87.7 | Confident | 79.2 | Confident | 88 Ų | 88 | 88.7 Ų | 88.7 | 62% | 0.615 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 134.8 | 168.8 | 63.3 | 0 | 0 | 0 | 0 | 109.3 | F259 | F259-S297 WeakPolarHBondContact O-CA 3.31Å |
| 298 | R | 88.6 | Confident | 80.5 | Confident | 152 Ų | 152 | 86 Ų | 86 | 57% | 0.574 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.4 | 170.7 | -175 | 171.9 | 179.9 | 114.2 | -0.2 | 108.7 | F259 V261 | F259-R298 HydrophobicContact CE1-CB 4.32Å; F259-R298 HydrophobicContact CE1-CG 4.31Å; F259-R298 HydrophobicContact CE2-CB 4.07Å; F259-R298 HydrophobicContact CE2-CG 4.41Å; F259-R298 HydrophobicContact CZ-CB 3.94Å; F259-R298 HydrophobicContact CZ-CG 3.87Å; F259-R298 PolarHBondContact N-O 3.36Å; F259-R298 PolarHBondContact O-N 2.9Å; V261-R298 HydrophobicContact CG2-CB 3.31Å; V261-R298 HydrophobicContact CG2-CG 4.34Å |
| 299 | N | 91.3 | Very high | 81.8 | Confident | 71 Ų | 71 | 84 Ų | 84 | 38% | 0.38 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 129.8 | -176.6 | -57.2 | -42.7 | 0 | 0 | 0 | 109 | Y256 H257 S258 | Y256-N299 HydrophobicContact CE1-CB 4.43Å; Y256-N299 HydrophobicContact CE2-CB 3.91Å; Y256-N299 VanDerWaalsContact CZ-CG 3.47Å; Y256-N299 PolarHBondContact OH-ND2 3.45Å; Y256-N299 PolarHBondContact OH-OD1 2.94Å; H257-N299 CarbonylContact O-C 3.52Å; H257-N299 WeakPolarHBondContact O-CA 3.32Å; S258-N299 WeakPolarHBondContact CB-OD1 3.35Å |
| 300 | L | 92.7 | Very high | 82.9 | Confident | 86 Ų | 86 | 82.2 Ų | 82.2 | 45% | 0.45 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 130.4 | 169.5 | -68 | 164.7 | 0 | 0 | 0 | 107.6 | H257 F259 | H257-L300 HydrophobicContact CB-CB 4.19Å; H257-L300 PolarHBondContact N-O 2.84Å; H257-L300 PolarHBondContact O-N 3.28Å; F259-L300 HydrophobicContact CD1-CD1 4.35Å; F259-L300 HydrophobicContact CE1-CD1 3.4Å; F259-L300 VanDerWaalsContact CE1-CD1 3.4Å; F259-L300 HydrophobicContact CE1-CG 3.74Å; F259-L300 HydrophobicContact CZ-CD1 4.03Å; F259-L300 HydrophobicContact CZ-CG 4.39Å |
| 301 | I | 91.2 | Very high | 84 | Confident | 92 Ų | 92 | 86.9 Ų | 86.9 | 47% | 0.472 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 118.5 | 174.5 | -53.2 | 179.6 | 0 | 0 | 0 | 106.5 | I254 Y256 F303 | I254-I301 HydrophobicContact CG2-CG2 3.56Å; Y256-I301 HydrophobicContact CD2-CD1 4.42Å; Y256-I301 HydrophobicContact CD2-CG1 3.96Å; Y256-I301 HydrophobicContact CE2-CG1 4.29Å; I301-F303 HydrophobicContact CB-CE2 3.99Å; I301-F303 HydrophobicContact CG2-CD2 4.12Å; I301-F303 HydrophobicContact CG2-CE1 4.4Å; I301-F303 HydrophobicContact CG2-CE2 3.42Å; I301-F303 VanDerWaalsContact CG2-CE2 3.42Å; I301-F303 HydrophobicContact CG2-CZ 3.61Å |
| 302 | T | 90.9 | Very high | 84.9 | Confident | 73 Ų | 73 | 84.7 Ų | 84.7 | 45% | 0.448 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.8 | 175.4 | -52.7 | 0 | 0 | 0 | 0 | 108.5 | I254 R255 | I254-T302 CarbonylContact C-O 3.57Å; I254-T302 WeakPolarHBondContact CA-O 3.4Å; R255-T302 PolarHBondContact N-O 3.44Å; R255-T302 PolarHBondContact O-N 2.97Å |
| 303 | F | 90.2 | Very high | 85.5 | Confident | 46 Ų | 46 | 83.5 Ų | 83.5 | 20% | 0.202 | 46% | 0.457 | C | S | . | . | trans | -97 | 150.4 | 175.2 | -67.4 | -94 | 0 | 0 | 0 | 109.5 | I254 I301 F309 S312 | I254-F303 HydrophobicContact CD1-CD1 3.85Å; I254-F303 HydrophobicContact CD1-CE1 3.72Å; I254-F303 HydrophobicContact CG1-CD1 3.75Å; I254-F303 HydrophobicContact CG1-CE1 4.06Å; I254-F303 HydrophobicContact CG2-CD1 4.19Å; I254-F303 HydrophobicContact CG2-CE1 4.06Å; I254-F303 HydrophobicContact CG2-CZ 4.46Å; I301-F303 HydrophobicContact CB-CE2 3.99Å; I301-F303 HydrophobicContact CG2-CD2 4.12Å; I301-F303 HydrophobicContact CG2-CE1 4.4Å; I301-F303 HydrophobicContact CG2-CE2 3.42Å; I301-F303 VanDerWaalsContact CG2-CE2 3.42Å; I301-F303 HydrophobicContact CG2-CZ 3.61Å; F303-F309 HydrophobicContact CB-CB 3.94Å; F303-F309 HydrophobicContact CD1-CB 4.07Å; F303-F309 HydrophobicContact CD2-CB 3.97Å; F303-F309 AromaticContact CD2-CD2 3.58Å; F303-F309 HydrophobicContact CD2-CD2 3.58Å; F303-F309 HydrophobicContact CD2-CG 4.2Å; F303-F309 AromaticContact CE2-CD2 3.5Å; F303-F309 HydrophobicContact CE2-CD2 3.5Å; F303-F309 VanDerWaalsContact CE2-CD2 3.5Å; F303-F309 HydrophobicContact CE2-CE2 4.2Å; F303-F309 HydrophobicContact CE2-CG 4.48Å; F303-F309 HydrophobicContact CG-CB 3.7Å; F303-F309 HydrophobicContact CG-CD2 4.17Å; F303-F309 HydrophobicContact CG-CG 4.43Å; F303-F309 HydrophobicContact CZ-CD2 4.02Å; F303-S312 WeakPolarHBondContact CE1-OG 3.33Å; F303-S312 VanDerWaalsContact CZ-OG 3.32Å; F303-S312 WeakPolarHBondContact CZ-OG 3.38Å | ||
| 304 | A | 88.4 | Confident | 85.7 | Confident | 40 Ų | 40 | 82.8 Ų | 82.8 | 33% | 0.331 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -67.3 | -44.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P252 | P252-A304 VanDerWaalsContact CA-CB 3.5Å; P252-A304 HydrophobicContact CB-CB 3.3Å |
| 305 | N | 87.5 | Confident | 85.5 | Confident | 104 Ų | 104 | 91.4 Ų | 91.4 | 56% | 0.556 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -140 | 156.3 | -178 | -61.8 | -24.2 | 0 | 0 | 0 | 109.9 | V307 C308 F309 | N305-V307 PolarHBondContact O-N 2.99Å; N305-C308 WeakPolarHBondContact O-CB 3.3Å; N305-C308 PolarHBondContact O-N 2.96Å; N305-C308 VanDerWaalsContact O-N 3.13Å; N305-F309 PolarHBondContact O-N 2.99Å |
| 306 | D | 83.7 | Confident | 84.9 | Confident | 116 Ų | 116 | 88.3 Ų | 88.3 | 62% | 0.62 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.5 | -32 | 177.6 | -76.5 | -17.3 | 0 | 0 | 0 | 113.5 | F309 R310 | D306-F309 WeakPolarHBondContact O-CB 3.31Å; D306-F309 PolarHBondContact O-N 3.31Å; D306-R310 WeakPolarHBondContact O-CG 3.49Å; D306-R310 PolarHBondContact O-N 3.49Å |
| 307 | V | 84.8 | Confident | 83.8 | Confident | 100 Ų | 100 | 93 Ų | 93 | 61% | 0.606 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.5 | -46.8 | 176.3 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | N305 F309 R310 D311 | N305-V307 PolarHBondContact O-N 2.99Å; V307-F309 VanDerWaalsContact C-N 3.27Å; V307-F309 PolarHBondContact O-N 2.9Å; V307-R310 WeakPolarHBondContact O-CB 3.26Å; V307-R310 PolarHBondContact O-N 3.48Å; V307-R310 VanDerWaalsContact O-N 3.13Å; V307-D311 VanDerWaalsContact O-CG 3.25Å; V307-D311 PolarHBondContact O-N 3.19Å |
| 308 | C | 85.8 | Confident | 82.6 | Confident | 48 Ų | 48 | 92.1 Ų | 92.1 | 32% | 0.324 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.6 | -34.4 | 179 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | N305 S312 | N305-C308 WeakPolarHBondContact O-CB 3.3Å; N305-C308 PolarHBondContact O-N 2.96Å; N305-C308 VanDerWaalsContact O-N 3.13Å; C308-S312 WeakPolarHBondContact O-CB 3.5Å; C308-S312 PolarHBondContact O-N 2.87Å; C308-S312 PolarHBondContact O-OG 3.36Å |
| 309 | F | 85.7 | Confident | 81.6 | Confident | 55 Ų | 55 | 88.8 Ų | 88.8 | 24% | 0.241 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -63 | -48 | 171.9 | 169.1 | -112.6 | 0 | 0 | 0 | 111.9 | F303 N305 D306 V307 S312 M313 L320 | F303-F309 HydrophobicContact CB-CB 3.94Å; F303-F309 HydrophobicContact CD1-CB 4.07Å; F303-F309 HydrophobicContact CD2-CB 3.97Å; F303-F309 AromaticContact CD2-CD2 3.58Å; F303-F309 HydrophobicContact CD2-CD2 3.58Å; F303-F309 HydrophobicContact CD2-CG 4.2Å; F303-F309 AromaticContact CE2-CD2 3.5Å; F303-F309 HydrophobicContact CE2-CD2 3.5Å; F303-F309 VanDerWaalsContact CE2-CD2 3.5Å; F303-F309 HydrophobicContact CE2-CE2 4.2Å; F303-F309 HydrophobicContact CE2-CG 4.48Å; F303-F309 HydrophobicContact CG-CB 3.7Å; F303-F309 HydrophobicContact CG-CD2 4.17Å; F303-F309 HydrophobicContact CG-CG 4.43Å; F303-F309 HydrophobicContact CZ-CD2 4.02Å; N305-F309 PolarHBondContact O-N 2.99Å; D306-F309 WeakPolarHBondContact O-CB 3.31Å; D306-F309 PolarHBondContact O-N 3.31Å; V307-F309 VanDerWaalsContact C-N 3.27Å; V307-F309 PolarHBondContact O-N 2.9Å; F309-S312 PolarHBondContact O-N 3.22Å; F309-S312 PolarHBondContact O-OG 3.46Å; F309-M313 HydrophobicContact CE2-CE 3.62Å; F309-M313 HydrophobicContact CE2-CG 4.16Å; F309-M313 HydrophobicContact CZ-CE 4.07Å; F309-M313 HydrophobicContact CZ-CG 4.43Å; F309-M313 PolarHBondContact O-N 3.29Å; F309-L320 HydrophobicContact CE1-CD1 3.74Å; F309-L320 HydrophobicContact CE1-CD2 3.77Å; F309-L320 HydrophobicContact CE1-CG 4.36Å; F309-L320 HydrophobicContact CZ-CD1 4.04Å; F309-L320 HydrophobicContact CZ-CD2 3.97Å |
| 310 | R | 82.2 | Confident | 80.5 | Confident | 76 Ų | 76 | 88.1 Ų | 88.1 | 29% | 0.287 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 178.8 | -68.4 | -93.5 | 175.8 | 163.7 | -6.6 | 112 | D306 V307 S312 M313 L320 P321 | D306-R310 WeakPolarHBondContact O-CG 3.49Å; D306-R310 PolarHBondContact O-N 3.49Å; V307-R310 WeakPolarHBondContact O-CB 3.26Å; V307-R310 PolarHBondContact O-N 3.48Å; V307-R310 VanDerWaalsContact O-N 3.13Å; R310-S312 PolarHBondContact O-N 3.48Å; R310-M313 PolarHBondContact O-N 3.3Å; R310-L320 VanDerWaalsContact CZ-CB 3.49Å; R310-L320 PolarHBondContact NH1-O 2.99Å; R310-L320 PolarHBondContact NH2-O 2.99Å; R310-L320 VanDerWaalsContact NH2-O 3.16Å; R310-P321 PolarHBondContact NH2-O 2.84Å |
| 311 | D | 83.8 | Confident | 79.4 | Confident | 129 Ų | 129 | 87 Ų | 87 | 69% | 0.69 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.7 | -26.5 | -177.2 | -63.3 | -17.5 | 0 | 0 | 0 | 112.7 | V307 | V307-D311 VanDerWaalsContact O-CG 3.25Å; V307-D311 PolarHBondContact O-N 3.19Å |
| 312 | S | 84.1 | Confident | 78.6 | Confident | 60 Ų | 60 | 88.3 Ų | 88.3 | 42% | 0.42 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -81.5 | -18.7 | 179.9 | 72.4 | 0 | 0 | 0 | 0 | 114.3 | F303 C308 F309 R310 | F303-S312 WeakPolarHBondContact CE1-OG 3.33Å; F303-S312 VanDerWaalsContact CZ-OG 3.32Å; F303-S312 WeakPolarHBondContact CZ-OG 3.38Å; C308-S312 WeakPolarHBondContact O-CB 3.5Å; C308-S312 PolarHBondContact O-N 2.87Å; C308-S312 PolarHBondContact O-OG 3.36Å; F309-S312 PolarHBondContact O-N 3.22Å; F309-S312 PolarHBondContact O-OG 3.46Å; R310-S312 PolarHBondContact O-N 3.48Å |
| 313 | M | 81.2 | Confident | 77.7 | Confident | 89 Ų | 89 | 89.8 Ų | 89.8 | 44% | 0.438 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -89.9 | 134.8 | 179 | -78.7 | -86.6 | -176.1 | 0 | 0 | 109.3 | F309 R310 L320 | F309-M313 HydrophobicContact CE2-CE 3.62Å; F309-M313 HydrophobicContact CE2-CG 4.16Å; F309-M313 HydrophobicContact CZ-CE 4.07Å; F309-M313 HydrophobicContact CZ-CG 4.43Å; F309-M313 PolarHBondContact O-N 3.29Å; R310-M313 PolarHBondContact O-N 3.3Å; M313-L320 HydrophobicContact CB-CD1 4.31Å; M313-L320 HydrophobicContact CG-CD1 4.26Å |
| 314 | P | 78.2 | Confident | 77 | Confident | 98 Ų | 98 | 91.6 Ų | 91.6 | 64% | 0.636 | 53% | 0.529 | S | S | * | . | trans | -60.6 | 148.3 | 171.5 | 26.5 | -32.6 | 0 | 0 | 0 | 109.9 | T316 | P314-T316 PolarHBondContact O-N 3.11Š| ||
| 315 | E | 71.4 | Confident | 76.2 | Confident | 206 Ų | 206 | 97.8 Ų | 97.8 | 96% | 0.963 | 55% | 0.545 | S | S | * | . | trans | -59.2 | 98.8 | 174.4 | -68.7 | -175.6 | 174.2 | 0 | 0 | 109.7 | ||||
| 316 | T | 66.6 | Low | 75.5 | Confident | 73 Ų | 73 | 98.2 Ų | 98.2 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | trans | -84.7 | 147 | 178 | 48.3 | 0 | 0 | 0 | 0 | 110.8 | P314 T318 | P314-T316 PolarHBondContact O-N 3.11Å; T316-T318 CarbonylContact O-C 3.56Å; T316-T318 PolarHBondContact O-N 3.02Å; T316-T318 PolarHBondContact OG1-O 3.29Å | ||
| 317 | I | 63.5 | Low | 74.9 | Confident | 152 Ų | 152 | 96 Ų | 96 | 78% | 0.779 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -51.2 | -31.5 | 176.5 | -66.9 | 165.4 | 0 | 0 | 0 | 112.2 | I331 | I317-I331 HydrophobicContact CG2-CD1 4.04Š|
| 318 | T | 63.6 | Low | 74.1 | Confident | 68 Ų | 68 | 93.7 Ų | 93.7 | 42% | 0.417 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -98.3 | 110.3 | 167.2 | 45.3 | 0 | 0 | 0 | 0 | 109.4 | T316 | T316-T318 CarbonylContact O-C 3.56Å; T316-T318 PolarHBondContact O-N 3.02Å; T316-T318 PolarHBondContact OG1-O 3.29Å |
| 319 | P | 65.9 | Low | 73.3 | Confident | 83 Ų | 83 | 97.4 Ų | 97.4 | 54% | 0.539 | 56% | 0.559 | S | S | . | * | trans | -65.1 | 147.3 | 177 | 24.1 | -30.6 | 0 | 0 | 0 | 110.8 | P328 | P319-P328 HydrophobicContact CG-CB 4.46Å; P319-P328 HydrophobicContact CG-CG 4.22Å; P319-P328 WeakPolarHBondContact O-CG 3.45Å | ||
| 320 | L | 68.7 | Low | 72.2 | Confident | 57 Ų | 57 | 99.3 Ų | 99.3 | 30% | 0.298 | 58% | 0.577 | S | S | . | * | trans | -64.4 | 139.6 | 175 | -87.1 | 150.8 | 0 | 0 | 0 | 110.5 | F309 R310 M313 E322 | F309-L320 HydrophobicContact CE1-CD1 3.74Å; F309-L320 HydrophobicContact CE1-CD2 3.77Å; F309-L320 HydrophobicContact CE1-CG 4.36Å; F309-L320 HydrophobicContact CZ-CD1 4.04Å; F309-L320 HydrophobicContact CZ-CD2 3.97Å; R310-L320 VanDerWaalsContact CZ-CB 3.49Å; R310-L320 PolarHBondContact NH1-O 2.99Å; R310-L320 PolarHBondContact NH2-O 2.99Å; R310-L320 VanDerWaalsContact NH2-O 3.16Å; M313-L320 HydrophobicContact CB-CD1 4.31Å; M313-L320 HydrophobicContact CG-CD1 4.26Å; L320-E322 PolarHBondContact O-N 3.13Å; L320-E322 VanDerWaalsContact O-N 3.14Å | ||
| 321 | P | 70.3 | Confident | 71.3 | Confident | 62 Ų | 62 | 101 Ų | 101 | 40% | 0.403 | 59% | 0.591 | S | S | . | * | trans | -59 | 115 | -178.9 | -18.7 | 28 | 0 | 0 | 0 | 111.7 | R310 A327 | R310-P321 PolarHBondContact NH2-O 2.84Å; P321-A327 HydrophobicContact CB-CB 4.2Å; P321-A327 HydrophobicContact CG-CB 3.93Å | ||
| 322 | E | 73.7 | Confident | 70.2 | Confident | 119 Ų | 119 | 105.1 Ų | 105.1 | 56% | 0.556 | 60% | 0.597 | S | S | * | * | trans | -63.3 | 143.6 | 174.8 | -71.2 | -155.7 | 167.8 | 0 | 0 | 111.6 | L320 G324 Y325 | L320-E322 PolarHBondContact O-N 3.13Å; L320-E322 VanDerWaalsContact O-N 3.14Å; E322-G324 PolarHBondContact O-N 2.86Å; E322-G324 VanDerWaalsContact O-N 3.12Å; E322-Y325 HydrophobicContact CB-CD2 4.03Å; E322-Y325 PolarHBondContact O-N 3.22Å | ||
| 323 | P | 72.2 | Confident | 69.1 | Low | 104 Ų | 104 | 107.6 Ų | 107.6 | 68% | 0.675 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | 120.4 | 177.5 | -21.2 | 31.4 | 0 | 0 | 0 | 110.7 | ||
| 324 | G | 76.3 | Confident | 68.1 | Low | 85 Ų | 85 | 112 Ų | 112 | 88% | 0.876 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93 | -6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | E322 | E322-G324 PolarHBondContact O-N 2.86Å; E322-G324 VanDerWaalsContact O-N 3.12Å |
| 325 | Y | 71.4 | Confident | 67.5 | Low | 169 Ų | 169 | 117.9 Ų | 117.9 | 66% | 0.663 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -103.4 | 145.1 | 172.6 | -73.3 | -87.2 | 0 | 0 | 0 | 111.3 | E322 A327 | E322-Y325 HydrophobicContact CB-CD2 4.03Å; E322-Y325 PolarHBondContact O-N 3.22Å; Y325-A327 PolarHBondContact O-N 2.91Å |
| 326 | P | 73.4 | Confident | 67.3 | Low | 114 Ų | 114 | 119.4 Ų | 119.4 | 74% | 0.74 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 139.6 | 172.9 | 24.6 | -32 | 0 | 0 | 0 | 109.6 | ||
| 327 | A | 69.9 | Low | 67.4 | Low | 68 Ų | 68 | 122 Ų | 122 | 56% | 0.562 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 128.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | P321 Y325 T329 | P321-A327 HydrophobicContact CB-CB 4.2Å; P321-A327 HydrophobicContact CG-CB 3.93Å; Y325-A327 PolarHBondContact O-N 2.91Å; A327-T329 PolarHBondContact O-N 3.23Å; A327-T329 VanDerWaalsContact O-N 3.12Å |
| 328 | P | 68.6 | Low | 68.4 | Low | 53 Ų | 53 | 122.9 Ų | 122.9 | 34% | 0.344 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 126.2 | -179.4 | 18 | -27.2 | 0 | 0 | 0 | 108.1 | P319 P330 | P319-P328 HydrophobicContact CG-CB 4.46Å; P319-P328 HydrophobicContact CG-CG 4.22Å; P319-P328 WeakPolarHBondContact O-CG 3.45Å; P328-P330 WeakPolarHBondContact O-CD 3.46Å |
| 329 | T | 68 | Low | 69.7 | Low | 126 Ų | 126 | 124.8 Ų | 124.8 | 77% | 0.773 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 120.3 | 177.2 | 44.3 | 0 | 0 | 0 | 0 | 107 | A327 I331 | A327-T329 PolarHBondContact O-N 3.23Å; A327-T329 VanDerWaalsContact O-N 3.12Å; T329-I331 PolarHBondContact O-N 3.16Å |
| 330 | P | 63.8 | Low | 71 | Confident | 94 Ų | 94 | 120.8 Ų | 120.8 | 61% | 0.61 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 125.8 | -178.3 | 21.2 | -31.5 | 0 | 0 | 0 | 107 | P328 R332 | P328-P330 WeakPolarHBondContact O-CD 3.46Å; P330-R332 VanDerWaalsContact C-N 3.33Å; P330-R332 PolarHBondContact O-N 3.39Å |
| 331 | I | 63.6 | Low | 72.1 | Confident | 113 Ų | 113 | 119.6 Ų | 119.6 | 58% | 0.579 | 62% | 0.618 | S | S | * | * | trans | -53.2 | 108.8 | 170.4 | -62.9 | 167.7 | 0 | 0 | 0 | 103.8 | I317 T329 P333 | I317-I331 HydrophobicContact CG2-CD1 4.04Å; T329-I331 PolarHBondContact O-N 3.16Å; I331-P333 WeakPolarHBondContact O-CD 3.31Å | ||
| 332 | R | 60.6 | Low | 73.1 | Confident | 214 Ų | 214 | 117.6 Ų | 117.6 | 81% | 0.808 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 120.3 | -179.6 | -83 | -176.5 | -178.7 | -175 | 0.9 | 104.5 | P330 E334 | P330-R332 VanDerWaalsContact C-N 3.33Å; P330-R332 PolarHBondContact O-N 3.39Å; R332-E334 PolarHBondContact O-N 3.27Å |
| 333 | P | 59.3 | Low | 74 | Confident | 113 Ų | 113 | 114.4 Ų | 114.4 | 73% | 0.734 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 123 | -179.8 | 20.6 | -31.3 | 0 | 0 | 0 | 105.7 | I331 R335 | I331-P333 WeakPolarHBondContact O-CD 3.31Å; P333-R335 PolarHBondContact O-N 3.11Å |
| 334 | E | 62.2 | Low | 74.9 | Confident | 182 Ų | 182 | 111.5 Ų | 111.5 | 85% | 0.85 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 120.7 | 177.7 | -79.6 | -156.5 | 155.4 | 0 | 0 | 106.1 | R332 R336 | R332-E334 PolarHBondContact O-N 3.27Å; E334-R336 VanDerWaalsContact C-N 3.32Å; E334-R336 PolarHBondContact O-N 3.2Å |
| 335 | R | 65 | Low | 75.7 | Confident | 221 Ų | 221 | 111.3 Ų | 111.3 | 83% | 0.834 | 56% | 0.56 | S | S | * | * | trans | -55.1 | 103.9 | -174.6 | -77.4 | 179.7 | 168 | 159.9 | -4.3 | 105.9 | P333 L337 | P333-R335 PolarHBondContact O-N 3.11Å; R335-L337 VanDerWaalsContact C-N 3.33Å; R335-L337 PolarHBondContact O-N 2.93Å | ||
| 336 | R | 67.8 | Low | 76.7 | Confident | 238 Ų | 238 | 106.9 Ų | 106.9 | 90% | 0.898 | 55% | 0.551 | S | S | * | * | trans | -55.6 | 105.2 | 176.6 | -72.8 | -168.4 | -179.1 | -147.2 | 2.2 | 105.8 | E334 R338 | E334-R336 VanDerWaalsContact C-N 3.32Å; E334-R336 PolarHBondContact O-N 3.2Å; R336-R338 PolarHBondContact O-N 3.19Å | ||
| 337 | L | 68.4 | Low | 77.7 | Confident | 126 Ų | 126 | 102.2 Ų | 102.2 | 66% | 0.66 | 52% | 0.523 | S | S | * | . | trans | -59.8 | 111.6 | -175.9 | -67.1 | 173.5 | 0 | 0 | 0 | 106.2 | R335 I339 P346 | R335-L337 VanDerWaalsContact C-N 3.33Å; R335-L337 PolarHBondContact O-N 2.93Å; L337-I339 PolarHBondContact O-N 3.33Å; L337-P346 HydrophobicContact CB-CB 4.28Å; L337-P346 HydrophobicContact CD1-CB 4.34Å | ||
| 338 | R | 83.7 | Confident | 78.7 | Confident | 172 Ų | 172 | 109.1 Ų | 109.1 | 65% | 0.649 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 130.7 | -179.9 | -62.7 | -161.5 | -166.5 | -91.6 | 5.2 | 107.2 | R336 A347 P357 | R336-R338 PolarHBondContact O-N 3.19Å; R338-A347 WeakPolarHBondContact O-CA 3.4Å; R338-A347 WeakPolarHBondContact O-CB 3.24Å; R338-A347 PolarHBondContact O-N 2.83Å; R338-P357 HydrophobicContact CB-CB 3.72Å; R338-P357 HydrophobicContact CB-CG 3.98Å |
| 339 | I | 91.8 | Very high | 79.8 | Confident | 107 Ų | 107 | 113 Ų | 113 | 55% | 0.549 | 54% | 0.543 | S | S | . | . | B | Isolated β-bridge | trans | -86.5 | 136.7 | -178.6 | -61.3 | 171.1 | 0 | 0 | 0 | 108.4 | L337 G344 | L337-I339 PolarHBondContact O-N 3.33Å; I339-G344 WeakPolarHBondContact CG2-O 3.11Å |
| 340 | C | 92.5 | Very high | 81.1 | Confident | 0 Ų | 0 | 110.8 Ų | 110.8 | 0% | 0 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 123.4 | 173.3 | 175.9 | 0 | 0 | 0 | 0 | 109.8 | I342 T343 G344 L345 A347 P357 A359 | C340-I342 VanDerWaalsContact C-N 3.25Å; C340-I342 PolarHBondContact O-N 2.93Å; C340-T343 VanDerWaalsContact CB-OG1 3.28Å; C340-T343 WeakPolarHBondContact CB-OG1 3.04Å; C340-T343 PolarHBondContact SG-OG1 2.92Å; C340-G344 WeakPolarHBondContact O-CA 3.44Å; C340-G344 PolarHBondContact O-N 2.9Å; C340-L345 WeakPolarHBondContact CB-O 3.37Å; C340-L345 PolarHBondContact N-O 3.13Å; C340-A347 HydrophobicContact CB-CB 4.35Å; C340-P357 WeakPolarHBondContact CA-O 3.29Å; C340-A359 HydrophobicContact CB-CB 3.93Å |
| 341 | P | 91 | Very high | 82.4 | Confident | 32 Ų | 32 | 106.3 Ų | 106.3 | 21% | 0.208 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -28.7 | -177.8 | 23.8 | -28.1 | 0 | 0 | 0 | 112.4 | T356 P357 L385 R389 | P341-T356 HydrophobicContact CG-CG2 3.56Å; P341-P357 WeakPolarHBondContact CD-O 3.42Å; P341-L385 HydrophobicContact CG-CD2 4.2Å; P341-R389 PolarHBondContact O-NE 3.41Å; P341-R389 PolarHBondContact O-NH2 3.29Å |
| 342 | I | 91.4 | Very high | 83.7 | Confident | 19 Ų | 19 | 105.7 Ų | 105.7 | 10% | 0.097 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -38.8 | -176.7 | -63.6 | 157.5 | 0 | 0 | 0 | 112.3 | C340 A363 V366 L367 L385 Y388 | C340-I342 VanDerWaalsContact C-N 3.25Å; C340-I342 PolarHBondContact O-N 2.93Å; I342-A363 HydrophobicContact CB-CB 4.27Å; I342-A363 HydrophobicContact CD1-CB 4.37Å; I342-A363 WeakPolarHBondContact CD1-O 3.43Å; I342-A363 HydrophobicContact CG2-CB 4.38Å; I342-V366 HydrophobicContact CD1-CB 3.93Å; I342-V366 HydrophobicContact CD1-CG1 3.71Å; I342-V366 HydrophobicContact CG1-CG1 4.14Å; I342-V366 HydrophobicContact CG2-CB 4.34Å; I342-V366 HydrophobicContact CG2-CG1 4.2Å; I342-V366 HydrophobicContact CG2-CG2 4.46Å; I342-L367 HydrophobicContact CD1-CD1 4.49Å; I342-L367 HydrophobicContact CD1-CD2 3.77Å; I342-L367 HydrophobicContact CD1-CG 3.6Å; I342-L385 HydrophobicContact CD1-CD2 3.93Å; I342-L385 HydrophobicContact CG1-CD2 3.74Å; I342-Y388 HydrophobicContact CG2-CD1 4.45Å; I342-Y388 HydrophobicContact CG2-CE1 3.96Å |
| 343 | T | 92.5 | Very high | 85 | Confident | 52 Ų | 52 | 99.6 Ų | 99.6 | 32% | 0.319 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -16.6 | -173.6 | 56 | 0 | 0 | 0 | 0 | 114.1 | C340 L345 A363 | C340-T343 VanDerWaalsContact CB-OG1 3.28Å; C340-T343 WeakPolarHBondContact CB-OG1 3.04Å; C340-T343 PolarHBondContact SG-OG1 2.92Å; T343-L345 PolarHBondContact O-N 3.01Å; T343-L345 VanDerWaalsContact O-N 3.17Å; T343-A363 HydrophobicContact CG2-CB 3.93Å |
| 344 | G | 91.4 | Very high | 86.4 | Confident | 43 Ų | 43 | 95.6 Ų | 95.6 | 44% | 0.443 | 46% | 0.456 | S | S | . | . | trans | 71.5 | -2.6 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | I339 C340 | I339-G344 WeakPolarHBondContact CG2-O 3.11Å; C340-G344 WeakPolarHBondContact O-CA 3.44Å; C340-G344 PolarHBondContact O-N 2.9Å | ||
| 345 | L | 92.8 | Very high | 87.7 | Confident | 82 Ų | 82 | 92.7 Ų | 92.7 | 43% | 0.429 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -81 | 155.3 | 177.7 | -63.2 | 176.7 | 0 | 0 | 0 | 111.3 | C340 T343 A347 A359 | C340-L345 WeakPolarHBondContact CB-O 3.37Å; C340-L345 PolarHBondContact N-O 3.13Å; T343-L345 PolarHBondContact O-N 3.01Å; T343-L345 VanDerWaalsContact O-N 3.17Å; L345-A347 PolarHBondContact O-N 3.16Å; L345-A359 HydrophobicContact CB-CB 3.71Å; L345-A359 HydrophobicContact CD1-CB 4.48Å |
| 346 | P | 93.9 | Very high | 88.9 | Confident | 75 Ų | 75 | 82.9 Ų | 82.9 | 49% | 0.487 | 41% | 0.411 | S | S | . | . | B | Isolated β-bridge | trans | -58.3 | 123.7 | 172 | 24.2 | -33.1 | 0 | 0 | 0 | 110.1 | L337 | L337-P346 HydrophobicContact CB-CB 4.28Å; L337-P346 HydrophobicContact CD1-CB 4.34Å |
| 347 | A | 92.8 | Very high | 90.2 | Very high | 17 Ų | 17 | 72.6 Ų | 72.6 | 14% | 0.14 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -76 | 130.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R338 C340 L345 P357 Y358 | R338-A347 WeakPolarHBondContact O-CA 3.4Å; R338-A347 WeakPolarHBondContact O-CB 3.24Å; R338-A347 PolarHBondContact O-N 2.83Å; C340-A347 HydrophobicContact CB-CB 4.35Å; L345-A347 PolarHBondContact O-N 3.16Å; A347-P357 HydrophobicContact CB-CB 3.52Å; A347-Y358 WeakPolarHBondContact CA-O 3.34Å; A347-Y358 WeakPolarHBondContact CB-O 3.46Å |
| 348 | R | 90.8 | Very high | 91.4 | Very high | 212 Ų | 212 | 68.3 Ų | 68.3 | 80% | 0.8 | 35% | 0.35 | S | S | * | . | trans | -93.4 | -21.8 | 173.2 | -77.4 | -177.7 | 161.9 | 178.8 | -4.6 | 112.7 | Y358 | R348-Y358 PolarHBondContact N-O 3.4Š| ||
| 349 | Y | 93.5 | Very high | 92 | Very high | 134 Ų | 134 | 60.4 Ų | 60.4 | 53% | 0.525 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 158.3 | -171 | -53.4 | -74.8 | 0 | 0 | 0 | 111.2 | P357 Y358 | Y349-P357 CarbonylContact O-C 3.56Å; Y349-P357 WeakPolarHBondContact O-CA 3.28Å; Y349-Y358 HydrophobicContact CD2-CD2 4.49Å; Y349-Y358 AromaticContact CD2-CE2 3.95Å; Y349-Y358 HydrophobicContact CD2-CE2 3.95Å; Y349-Y358 HydrophobicContact CG-CE2 4.12Å; Y349-Y358 PolarHBondContact N-O 3.46Å; Y349-Y358 VanDerWaalsContact N-O 3.14Å; Y349-Y358 PolarHBondContact O-N 3.4Å |
| 350 | L | 93.5 | Very high | 92.1 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 42% | 0.424 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 132.9 | 173.1 | -152.8 | 102.7 | 0 | 0 | 0 | 108.4 | L355 P357 | L350-L355 HydrophobicContact CD2-CB 4.16Å; L350-L355 HydrophobicContact CD2-CD2 3.75Å; L350-P357 HydrophobicContact CD1-CB 4.23Å |
| 351 | D | 91.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -76.6 | 125.8 | 174.6 | 176.1 | 41.2 | 0 | 0 | 0 | 110.1 | L353 T354 L355 T356 Y358 L367 R368 | D351-L353 VanDerWaalsContact C-N 3.3Å; D351-L353 PolarHBondContact O-N 2.87Å; D351-T354 WeakPolarHBondContact OD2-CB 3.33Å; D351-T354 WeakPolarHBondContact OD2-CG2 3.18Å; D351-T354 PolarHBondContact OD2-N 3.36Å; D351-T354 PolarHBondContact OD2-OG1 3.46Å; D351-L355 WeakPolarHBondContact O-CA 3.34Å; D351-L355 PolarHBondContact O-N 3.07Å; D351-T356 PolarHBondContact N-O 3.05Å; D351-Y358 HydrophobicContact CB-CD1 4.21Å; D351-Y358 HydrophobicContact CB-CE1 4.11Å; D351-L367 HydrophobicContact CB-CD1 4.15Å; D351-R368 IonicContact OD1-CZ 3.64Å; D351-R368 IonicContact OD1-NE 3.68Å; D351-R368 IonicContact OD1-NH2 2.78Å; D351-R368 PolarHBondContact OD1-NH2 3.39Å | ||
| 352 | P | 90.8 | Very high | 92.5 | Very high | 99 Ų | 99 | 66.3 Ų | 66.3 | 64% | 0.643 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -24.8 | -175.6 | 24.6 | -35.8 | 0 | 0 | 0 | 114.4 | ||
| 353 | L | 89 | Confident | 92.7 | Very high | 87 Ų | 87 | 65.4 Ų | 65.4 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -44.9 | -178.6 | -63.8 | -174.5 | 0 | 0 | 0 | 112.1 | D351 Y371 | D351-L353 VanDerWaalsContact C-N 3.3Å; D351-L353 PolarHBondContact O-N 2.87Å; L353-Y371 HydrophobicContact CB-CE2 4.36Å; L353-Y371 HydrophobicContact CD1-CD1 4.13Å; L353-Y371 HydrophobicContact CD1-CE1 3.72Å |
| 354 | T | 88 | Confident | 92.8 | Very high | 28 Ų | 28 | 65.7 Ų | 65.7 | 17% | 0.172 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -6.6 | -175.2 | 63 | 0 | 0 | 0 | 0 | 113.5 | D351 T356 Y371 | D351-T354 WeakPolarHBondContact OD2-CB 3.33Å; D351-T354 WeakPolarHBondContact OD2-CG2 3.18Å; D351-T354 PolarHBondContact OD2-N 3.36Å; D351-T354 PolarHBondContact OD2-OG1 3.46Å; T354-T356 VanDerWaalsContact CB-OG1 3.25Å; T354-T356 WeakPolarHBondContact CB-OG1 3.5Å; T354-T356 PolarHBondContact O-N 2.92Å; T354-T356 VanDerWaalsContact O-N 3.07Å; T354-T356 PolarHBondContact O-OG1 3.43Å; T354-T356 WeakPolarHBondContact OG1-CB 3.48Å; T354-T356 PolarHBondContact OG1-N 2.98Å; T354-T356 PolarHBondContact OG1-OG1 2.95Å; T354-Y371 HydrophobicContact CG2-CD2 3.74Å; T354-Y371 HydrophobicContact CG2-CE2 4.49Å; T354-Y371 HydrophobicContact CG2-CG 4.36Å |
| 355 | L | 90 | Very high | 93.1 | Very high | 121 Ų | 121 | 72.1 Ų | 72.1 | 63% | 0.634 | 37% | 0.365 | S | S | * | . | trans | 51.8 | 25.7 | -170.4 | -60.2 | 176.6 | 0 | 0 | 0 | 113.5 | L350 D351 | L350-L355 HydrophobicContact CD2-CB 4.16Å; L350-L355 HydrophobicContact CD2-CD2 3.75Å; D351-L355 WeakPolarHBondContact O-CA 3.34Å; D351-L355 PolarHBondContact O-N 3.07Å | ||
| 356 | T | 91.1 | Very high | 93.2 | Very high | 15 Ų | 15 | 69.2 Ų | 69.2 | 9% | 0.092 | 35% | 0.351 | C | S | . | . | trans | -93 | 128 | -174.8 | -44.3 | 0 | 0 | 0 | 0 | 110.6 | P341 D351 T354 L367 L385 | P341-T356 HydrophobicContact CG-CG2 3.56Å; D351-T356 PolarHBondContact N-O 3.05Å; T354-T356 VanDerWaalsContact CB-OG1 3.25Å; T354-T356 WeakPolarHBondContact CB-OG1 3.5Å; T354-T356 PolarHBondContact O-N 2.92Å; T354-T356 VanDerWaalsContact O-N 3.07Å; T354-T356 PolarHBondContact O-OG1 3.43Å; T354-T356 WeakPolarHBondContact OG1-CB 3.48Å; T354-T356 PolarHBondContact OG1-N 2.98Å; T354-T356 PolarHBondContact OG1-OG1 2.95Å; T356-L367 HydrophobicContact CG2-CD2 3.88Å; T356-L385 HydrophobicContact CG2-CD1 3.72Å | ||
| 357 | P | 94 | Very high | 93.2 | Very high | 23 Ų | 23 | 65.8 Ų | 65.8 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 135 | 176.9 | 26.5 | -32.5 | 0 | 0 | 0 | 111.4 | R338 C340 P341 A347 Y349 L350 | R338-P357 HydrophobicContact CB-CB 3.72Å; R338-P357 HydrophobicContact CB-CG 3.98Å; C340-P357 WeakPolarHBondContact CA-O 3.29Å; P341-P357 WeakPolarHBondContact CD-O 3.42Å; A347-P357 HydrophobicContact CB-CB 3.52Å; Y349-P357 CarbonylContact O-C 3.56Å; Y349-P357 WeakPolarHBondContact O-CA 3.28Å; L350-P357 HydrophobicContact CD1-CB 4.23Å |
| 358 | Y | 94.5 | Very high | 93.3 | Very high | 36 Ų | 36 | 69 Ų | 69 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 152.4 | 175.9 | 70 | -86.7 | 0 | 0 | 0 | 113.9 | A347 R348 Y349 D351 F364 L367 | A347-Y358 WeakPolarHBondContact CA-O 3.34Å; A347-Y358 WeakPolarHBondContact CB-O 3.46Å; R348-Y358 PolarHBondContact N-O 3.4Å; Y349-Y358 HydrophobicContact CD2-CD2 4.49Å; Y349-Y358 AromaticContact CD2-CE2 3.95Å; Y349-Y358 HydrophobicContact CD2-CE2 3.95Å; Y349-Y358 HydrophobicContact CG-CE2 4.12Å; Y349-Y358 PolarHBondContact N-O 3.46Å; Y349-Y358 VanDerWaalsContact N-O 3.14Å; Y349-Y358 PolarHBondContact O-N 3.4Å; D351-Y358 HydrophobicContact CB-CD1 4.21Å; D351-Y358 HydrophobicContact CB-CE1 4.11Å; Y358-F364 HydrophobicContact CD1-CD2 4.3Å; Y358-F364 HydrophobicContact CD2-CB 3.88Å; Y358-F364 AromaticContact CE1-CD2 3.75Å; Y358-F364 HydrophobicContact CE1-CD2 3.75Å; Y358-F364 HydrophobicContact CE1-CE2 4.4Å; Y358-F364 HydrophobicContact CE2-CB 3.74Å; Y358-F364 HydrophobicContact CE2-CD2 4.09Å; Y358-F364 HydrophobicContact CE2-CG 4.21Å; Y358-F364 HydrophobicContact CG-CB 4.44Å; Y358-F364 AromaticContact CZ-CD2 3.63Å; Y358-L367 HydrophobicContact CD1-CD1 3.93Å; Y358-L367 HydrophobicContact CG-CD1 4.14Å |
| 359 | A | 95.4 | Very high | 93.4 | Very high | 6 Ų | 6 | 67.9 Ų | 67.9 | 5% | 0.05 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -92.7 | -52.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C340 L345 | C340-A359 HydrophobicContact CB-CB 3.93Å; L345-A359 HydrophobicContact CB-CB 3.71Å; L345-A359 HydrophobicContact CD1-CB 4.48Å |
| 360 | N | 95.1 | Very high | 93.4 | Very high | 82 Ų | 82 | 62.3 Ų | 62.3 | 44% | 0.439 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -127.5 | 164.4 | -168 | -52.3 | -10.3 | 0 | 0 | 0 | 111.2 | A362 A363 F364 | N360-A362 VanDerWaalsContact C-N 3.25Å; N360-A362 PolarHBondContact O-N 2.87Å; N360-A363 WeakPolarHBondContact O-CB 3.37Å; N360-A363 PolarHBondContact O-N 3.19Å; N360-F364 PolarHBondContact O-N 3.47Å |
| 361 | L | 95.9 | Very high | 93.4 | Very high | 111 Ų | 111 | 61.4 Ų | 61.4 | 58% | 0.581 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -56.1 | -38 | 177.1 | -158.1 | 171.8 | 0 | 0 | 0 | 112.4 | A363 F364 R365 | L361-A363 VanDerWaalsContact C-N 3.3Å; L361-A363 PolarHBondContact O-N 3.46Å; L361-F364 WeakPolarHBondContact O-CB 3.31Å; L361-F364 PolarHBondContact O-N 2.89Å; L361-F364 VanDerWaalsContact O-N 3.12Å; L361-R365 HydrophobicContact CD2-CG 3.84Å; L361-R365 VanDerWaalsContact CD2-NE 3.28Å; L361-R365 PolarHBondContact O-N 2.88Å |
| 362 | A | 95.1 | Very high | 93.6 | Very high | 69 Ų | 69 | 64.2 Ų | 64.2 | 57% | 0.57 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.7 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | N360 R365 V366 | N360-A362 VanDerWaalsContact C-N 3.25Å; N360-A362 PolarHBondContact O-N 2.87Å; A362-R365 PolarHBondContact O-N 3.26Å; A362-V366 PolarHBondContact O-N 3.05Å |
| 363 | A | 95.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.6 | -38.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I342 T343 N360 L361 R365 V366 L367 | I342-A363 HydrophobicContact CB-CB 4.27Å; I342-A363 HydrophobicContact CD1-CB 4.37Å; I342-A363 WeakPolarHBondContact CD1-O 3.43Å; I342-A363 HydrophobicContact CG2-CB 4.38Å; T343-A363 HydrophobicContact CG2-CB 3.93Å; N360-A363 WeakPolarHBondContact O-CB 3.37Å; N360-A363 PolarHBondContact O-N 3.19Å; L361-A363 VanDerWaalsContact C-N 3.3Å; L361-A363 PolarHBondContact O-N 3.46Å; A363-R365 PolarHBondContact O-N 2.98Å; A363-V366 PolarHBondContact O-N 2.92Å; A363-L367 PolarHBondContact O-N 3.17Å |
| 364 | F | 95.7 | Very high | 93.9 | Very high | 57 Ų | 57 | 60.3 Ų | 60.3 | 25% | 0.25 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 176.1 | -178.1 | -106.5 | 0 | 0 | 0 | 112.7 | Y358 N360 L361 V366 L367 R368 | Y358-F364 HydrophobicContact CD1-CD2 4.3Å; Y358-F364 HydrophobicContact CD2-CB 3.88Å; Y358-F364 AromaticContact CE1-CD2 3.75Å; Y358-F364 HydrophobicContact CE1-CD2 3.75Å; Y358-F364 HydrophobicContact CE1-CE2 4.4Å; Y358-F364 HydrophobicContact CE2-CB 3.74Å; Y358-F364 HydrophobicContact CE2-CD2 4.09Å; Y358-F364 HydrophobicContact CE2-CG 4.21Å; Y358-F364 HydrophobicContact CG-CB 4.44Å; Y358-F364 AromaticContact CZ-CD2 3.63Å; N360-F364 PolarHBondContact O-N 3.47Å; L361-F364 WeakPolarHBondContact O-CB 3.31Å; L361-F364 PolarHBondContact O-N 2.89Å; L361-F364 VanDerWaalsContact O-N 3.12Å; F364-V366 VanDerWaalsContact C-N 3.32Å; F364-V366 PolarHBondContact O-N 3.48Å; F364-L367 WeakPolarHBondContact O-CB 3.25Å; F364-L367 PolarHBondContact O-N 3.26Å; F364-R368 HydrophobicContact CD1-CG 4.36Å; F364-R368 HydrophobicContact CE1-CG 3.92Å; F364-R368 HydrophobicContact CE2-CG 4.27Å; F364-R368 HydrophobicContact CZ-CG 3.88Å; F364-R368 VanDerWaalsContact CZ-NE 3.3Å; F364-R368 WeakPolarHBondContact O-CG 3.21Å; F364-R368 PolarHBondContact O-N 3.08Å |
| 365 | R | 96.3 | Very high | 94.2 | Very high | 178 Ų | 178 | 64 Ų | 64 | 67% | 0.672 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61 | -41.4 | 175 | -72.4 | -179.7 | 178.5 | -180 | 0.6 | 112.1 | L361 A362 A363 R368 R369 | L361-R365 HydrophobicContact CD2-CG 3.84Å; L361-R365 VanDerWaalsContact CD2-NE 3.28Å; L361-R365 PolarHBondContact O-N 2.88Å; A362-R365 PolarHBondContact O-N 3.26Å; A363-R365 PolarHBondContact O-N 2.98Å; R365-R368 PolarHBondContact O-N 3.04Å; R365-R369 PolarHBondContact O-N 3.13Å |
| 366 | V | 94.8 | Very high | 94.5 | Very high | 22 Ų | 22 | 65.8 Ų | 65.8 | 13% | 0.133 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 175 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | I342 A362 A363 F364 R368 R369 L370 Y388 | I342-V366 HydrophobicContact CD1-CB 3.93Å; I342-V366 HydrophobicContact CD1-CG1 3.71Å; I342-V366 HydrophobicContact CG1-CG1 4.14Å; I342-V366 HydrophobicContact CG2-CB 4.34Å; I342-V366 HydrophobicContact CG2-CG1 4.2Å; I342-V366 HydrophobicContact CG2-CG2 4.46Å; A362-V366 PolarHBondContact O-N 3.05Å; A363-V366 PolarHBondContact O-N 2.92Å; F364-V366 VanDerWaalsContact C-N 3.32Å; F364-V366 PolarHBondContact O-N 3.48Å; V366-R368 VanDerWaalsContact C-N 3.32Å; V366-R368 PolarHBondContact O-N 3.37Å; V366-R369 PolarHBondContact O-N 3.17Å; V366-L370 HydrophobicContact CG1-CD1 4Å; V366-L370 HydrophobicContact CG1-CG 4.26Å; V366-L370 WeakPolarHBondContact O-CG 3.43Å; V366-L370 PolarHBondContact O-N 3.16Å; V366-Y388 HydrophobicContact CG1-CD1 3.96Å; V366-Y388 HydrophobicContact CG1-CD2 4.09Å; V366-Y388 HydrophobicContact CG1-CE1 3.68Å; V366-Y388 HydrophobicContact CG1-CE2 3.82Å; V366-Y388 HydrophobicContact CG1-CG 4.16Å; V366-Y388 HydrophobicContact CG2-CE1 4.41Å |
| 367 | L | 94 | Very high | 94.6 | Very high | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -55.7 | -45.1 | 175.8 | -74.7 | 173.1 | 0 | 0 | 0 | 112.4 | I342 D351 T356 Y358 A363 F364 R369 L370 Y371 L385 | I342-L367 HydrophobicContact CD1-CD1 4.49Å; I342-L367 HydrophobicContact CD1-CD2 3.77Å; I342-L367 HydrophobicContact CD1-CG 3.6Å; D351-L367 HydrophobicContact CB-CD1 4.15Å; T356-L367 HydrophobicContact CG2-CD2 3.88Å; Y358-L367 HydrophobicContact CD1-CD1 3.93Å; Y358-L367 HydrophobicContact CG-CD1 4.14Å; A363-L367 PolarHBondContact O-N 3.17Å; F364-L367 WeakPolarHBondContact O-CB 3.25Å; F364-L367 PolarHBondContact O-N 3.26Å; L367-R369 PolarHBondContact O-N 3.09Å; L367-L370 PolarHBondContact O-N 3.21Å; L367-Y371 WeakPolarHBondContact O-CB 3.29Å; L367-Y371 PolarHBondContact O-N 3.32Å; L367-L385 HydrophobicContact CD2-CD1 4.08Å; L367-L385 HydrophobicContact CD2-CD2 3.83Å; L367-L385 HydrophobicContact CD2-CG 4.35Å |
| 368 | R | 94.6 | Very high | 94.5 | Very high | 83 Ų | 83 | 76.1 Ų | 76.1 | 31% | 0.313 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 178.9 | -69.9 | -71.7 | 164.3 | 157.4 | -6.3 | 112.5 | D351 F364 R365 V366 Y371 S372 | D351-R368 IonicContact OD1-CZ 3.64Å; D351-R368 IonicContact OD1-NE 3.68Å; D351-R368 IonicContact OD1-NH2 2.78Å; D351-R368 PolarHBondContact OD1-NH2 3.39Å; F364-R368 HydrophobicContact CD1-CG 4.36Å; F364-R368 HydrophobicContact CE1-CG 3.92Å; F364-R368 HydrophobicContact CE2-CG 4.27Å; F364-R368 HydrophobicContact CZ-CG 3.88Å; F364-R368 VanDerWaalsContact CZ-NE 3.3Å; F364-R368 WeakPolarHBondContact O-CG 3.21Å; F364-R368 PolarHBondContact O-N 3.08Å; R365-R368 PolarHBondContact O-N 3.04Å; V366-R368 VanDerWaalsContact C-N 3.32Å; V366-R368 PolarHBondContact O-N 3.37Å; R368-Y371 PolarHBondContact O-N 3.28Å; R368-S372 PolarHBondContact O-N 3.46Å; R368-S372 PolarHBondContact O-OG 2.93Å |
| 369 | R | 94.1 | Very high | 94.3 | Very high | 189 Ų | 189 | 78.3 Ų | 78.3 | 71% | 0.713 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.5 | -44.5 | 174.1 | -171.1 | 175.3 | -177.5 | 174.1 | 0.5 | 112 | R365 V366 L367 Y371 S372 I373 | R365-R369 PolarHBondContact O-N 3.13Å; V366-R369 PolarHBondContact O-N 3.17Å; L367-R369 PolarHBondContact O-N 3.09Å; R369-Y371 VanDerWaalsContact C-N 3.26Å; R369-Y371 PolarHBondContact O-N 3.38Å; R369-S372 PolarHBondContact O-N 2.94Å; R369-I373 WeakPolarHBondContact O-CG1 3.36Å; R369-I373 PolarHBondContact O-N 2.89Å; R369-I373 VanDerWaalsContact O-N 3.11Å |
| 370 | L | 93.7 | Very high | 94 | Very high | 18 Ų | 18 | 80.8 Ų | 80.8 | 9% | 0.094 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.4 | -35.8 | 175.4 | -64.6 | 176.5 | 0 | 0 | 0 | 111.2 | V366 L367 I373 H374 L384 L385 Y388 | V366-L370 HydrophobicContact CG1-CD1 4Å; V366-L370 HydrophobicContact CG1-CG 4.26Å; V366-L370 WeakPolarHBondContact O-CG 3.43Å; V366-L370 PolarHBondContact O-N 3.16Å; L367-L370 PolarHBondContact O-N 3.21Å; L370-I373 PolarHBondContact O-N 3.32Å; L370-H374 PolarHBondContact O-N 3.36Å; L370-L384 HydrophobicContact CB-CB 4.43Å; L370-L384 HydrophobicContact CD2-CB 4.18Å; L370-L384 WeakPolarHBondContact O-CD1 3.42Å; L370-L385 HydrophobicContact CD1-CD2 3.68Å; L370-L385 HydrophobicContact CD1-CG 3.88Å; L370-Y388 HydrophobicContact CD1-CG 4.44Å; L370-Y388 HydrophobicContact CD2-CD2 4.27Å |
| 371 | Y | 93.8 | Very high | 93.3 | Very high | 61 Ų | 61 | 78.6 Ų | 78.6 | 24% | 0.239 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 175 | -173.3 | -104.3 | 0 | 0 | 0 | 112.8 | L353 T354 L367 R368 R369 H374 L375 | L353-Y371 HydrophobicContact CB-CE2 4.36Å; L353-Y371 HydrophobicContact CD1-CD1 4.13Å; L353-Y371 HydrophobicContact CD1-CE1 3.72Å; T354-Y371 HydrophobicContact CG2-CD2 3.74Å; T354-Y371 HydrophobicContact CG2-CE2 4.49Å; T354-Y371 HydrophobicContact CG2-CG 4.36Å; L367-Y371 WeakPolarHBondContact O-CB 3.29Å; L367-Y371 PolarHBondContact O-N 3.32Å; R368-Y371 PolarHBondContact O-N 3.28Å; R369-Y371 VanDerWaalsContact C-N 3.26Å; R369-Y371 PolarHBondContact O-N 3.38Å; Y371-H374 AromaticContact CE2-CD2 3.96Å; Y371-H374 WeakPolarHBondContact O-CB 3.38Å; Y371-H374 PolarHBondContact O-N 2.92Å; Y371-L375 HydrophobicContact CD1-CD1 4.17Å; Y371-L375 HydrophobicContact CE1-CD1 3.75Å; Y371-L375 HydrophobicContact CE1-CG 4.17Å; Y371-L375 PolarHBondContact O-N 3.43Å |
| 372 | S | 94.8 | Very high | 92.8 | Very high | 60 Ų | 60 | 79 Ų | 79 | 42% | 0.42 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 171.2 | -62 | 0 | 0 | 0 | 0 | 111.7 | R368 R369 H374 L375 E376 | R368-S372 PolarHBondContact O-N 3.46Å; R368-S372 PolarHBondContact O-OG 2.93Å; R369-S372 PolarHBondContact O-N 2.94Å; S372-H374 VanDerWaalsContact C-N 3.28Å; S372-H374 PolarHBondContact O-N 3.36Å; S372-L375 PolarHBondContact O-N 3.05Å; S372-L375 VanDerWaalsContact O-N 3.13Å; S372-E376 PolarHBondContact O-N 2.72Å; S372-E376 VanDerWaalsContact O-N 3.09Å |
| 373 | I | 94.2 | Very high | 92.5 | Very high | 57 Ų | 57 | 80.4 Ų | 80.4 | 29% | 0.292 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 175.8 | -63.9 | 166.6 | 0 | 0 | 0 | 110.9 | R369 L370 L375 E376 T377 L384 | R369-I373 WeakPolarHBondContact O-CG1 3.36Å; R369-I373 PolarHBondContact O-N 2.89Å; R369-I373 VanDerWaalsContact O-N 3.11Å; L370-I373 PolarHBondContact O-N 3.32Å; I373-L375 VanDerWaalsContact C-N 3.34Å; I373-L375 PolarHBondContact O-N 3.21Å; I373-E376 PolarHBondContact O-N 3.47Å; I373-T377 HydrophobicContact CG2-CG2 4.07Å; I373-T377 WeakPolarHBondContact O-CB 3.46Å; I373-T377 PolarHBondContact O-N 2.76Å; I373-T377 PolarHBondContact O-OG1 2.84Å; I373-L384 HydrophobicContact CB-CD1 4.15Å; I373-L384 HydrophobicContact CG2-CD1 3.91Å; I373-L384 HydrophobicContact CG2-CD2 3.95Å |
| 374 | H | 92.8 | Very high | 92.2 | Very high | 46 Ų | 46 | 80.7 Ų | 80.7 | 21% | 0.213 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 173.7 | 166.9 | 62.1 | 0 | 0 | 0 | 111.6 | L370 Y371 S372 E376 K378 K379 P381 L384 | L370-H374 PolarHBondContact O-N 3.36Å; Y371-H374 AromaticContact CE2-CD2 3.96Å; Y371-H374 WeakPolarHBondContact O-CB 3.38Å; Y371-H374 PolarHBondContact O-N 2.92Å; S372-H374 VanDerWaalsContact C-N 3.28Å; S372-H374 PolarHBondContact O-N 3.36Å; H374-E376 VanDerWaalsContact C-N 3.33Å; H374-E376 PolarHBondContact O-N 2.98Å; H374-K378 WeakPolarHBondContact O-CA 3.31Å; H374-K378 PolarHBondContact O-N 3.32Å; H374-K379 PolarHBondContact ND1-O 3.28Å; H374-P381 HydrophobicContact CB-CG 4.48Å; H374-L384 HydrophobicContact CB-CD1 3.86Å |
| 375 | L | 94.2 | Very high | 91.9 | Very high | 106 Ų | 106 | 78.9 Ų | 78.9 | 56% | 0.555 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.5 | -36.7 | 177.8 | -69.1 | 174.5 | 0 | 0 | 0 | 112.4 | Y371 S372 I373 | Y371-L375 HydrophobicContact CD1-CD1 4.17Å; Y371-L375 HydrophobicContact CE1-CD1 3.75Å; Y371-L375 HydrophobicContact CE1-CG 4.17Å; Y371-L375 PolarHBondContact O-N 3.43Å; S372-L375 PolarHBondContact O-N 3.05Å; S372-L375 VanDerWaalsContact O-N 3.13Å; I373-L375 VanDerWaalsContact C-N 3.34Å; I373-L375 PolarHBondContact O-N 3.21Å |
| 376 | E | 95.4 | Very high | 91.5 | Very high | 159 Ų | 159 | 78.4 Ų | 78.4 | 74% | 0.743 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -73.9 | -44.9 | 179 | -69.6 | 170.3 | -168.3 | 0 | 0 | 112.6 | S372 I373 H374 | S372-E376 PolarHBondContact O-N 2.72Å; S372-E376 VanDerWaalsContact O-N 3.09Å; I373-E376 PolarHBondContact O-N 3.47Å; H374-E376 VanDerWaalsContact C-N 3.33Å; H374-E376 PolarHBondContact O-N 2.98Å |
| 377 | T | 93.3 | Very high | 91.3 | Very high | 72 Ų | 72 | 82 Ų | 82 | 44% | 0.442 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -99.4 | -11.6 | -170.7 | 62.9 | 0 | 0 | 0 | 0 | 114 | I373 K379 | I373-T377 HydrophobicContact CG2-CG2 4.07Å; I373-T377 WeakPolarHBondContact O-CB 3.46Å; I373-T377 PolarHBondContact O-N 2.76Å; I373-T377 PolarHBondContact O-OG1 2.84Å; T377-K379 PolarHBondContact O-N 3Å; T377-K379 PolarHBondContact OG1-N 3.14Å |
| 378 | K | 91.9 | Very high | 91.1 | Very high | 182 Ų | 182 | 85.4 Ų | 85.4 | 79% | 0.791 | 40% | 0.399 | S | S | * | . | trans | 55.5 | 10.8 | -169.8 | -62.4 | -175 | 178.8 | -179.9 | 0 | 115.3 | H374 | H374-K378 WeakPolarHBondContact O-CA 3.31Å; H374-K378 PolarHBondContact O-N 3.32Å | ||
| 379 | K | 90.3 | Very high | 90.7 | Very high | 82 Ų | 82 | 88.3 Ų | 88.3 | 36% | 0.357 | 41% | 0.41 | S | S | . | . | trans | -67.7 | 135.3 | 173.5 | -75.7 | -175.1 | 167.5 | -166.6 | 0 | 110.9 | H374 T377 L384 E387 | H374-K379 PolarHBondContact ND1-O 3.28Å; T377-K379 PolarHBondContact O-N 3Å; T377-K379 PolarHBondContact OG1-N 3.14Å; K379-L384 HydrophobicContact CB-CD1 4.43Å; K379-L384 HydrophobicContact CB-CD2 4.17Å; K379-L384 HydrophobicContact CB-CG 4.17Å; K379-L384 HydrophobicContact CD-CD2 3.91Å; K379-E387 IonicContact NZ-OE1 2.71Å; K379-E387 PolarHBondContact NZ-OE1 3.42Å; K379-E387 IonicContact NZ-OE2 2.94Å | ||
| 380 | P | 88.3 | Confident | 90.2 | Very high | 58 Ų | 58 | 86.8 Ų | 86.8 | 38% | 0.377 | 41% | 0.411 | S | S | . | . | trans | -59.9 | 141.2 | -175.8 | 24.7 | -33.8 | 0 | 0 | 0 | 112.4 | I382 E383 L384 | P380-I382 PolarHBondContact O-N 2.96Å; P380-I382 VanDerWaalsContact O-N 3.09Å; P380-E383 WeakPolarHBondContact CD-OE2 3.49Å; P380-E383 HydrophobicContact CG-CB 4.03Å; P380-E383 VanDerWaalsContact CG-CD 3.41Å; P380-E383 HydrophobicContact CG-CG 3.73Å; P380-E383 WeakPolarHBondContact CG-OE2 3.3Å; P380-E383 PolarHBondContact O-N 3Å; P380-L384 PolarHBondContact O-N 3.3Å | ||
| 381 | P | 81.5 | Confident | 89.2 | Confident | 37 Ų | 37 | 89.3 Ų | 89.3 | 24% | 0.24 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -57.9 | -30.3 | -175 | -24.1 | 32.5 | 0 | 0 | 0 | 114.1 | H374 L385 | H374-P381 HydrophobicContact CB-CG 4.48Å; P381-L385 WeakPolarHBondContact O-CB 3.32Å; P381-L385 WeakPolarHBondContact O-CG 3.38Å; P381-L385 PolarHBondContact O-N 3.29Å |
| 382 | I | 85.3 | Confident | 87.4 | Confident | 119 Ų | 119 | 97.1 Ų | 97.1 | 61% | 0.61 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.9 | -38.2 | 177.1 | -80.5 | 167.2 | 0 | 0 | 0 | 112.1 | P380 L385 R386 | P380-I382 PolarHBondContact O-N 2.96Å; P380-I382 VanDerWaalsContact O-N 3.09Å; I382-L385 PolarHBondContact O-N 3.38Å; I382-R386 PolarHBondContact O-N 3.35Å |
| 383 | E | 88.2 | Confident | 87 | Confident | 99 Ų | 99 | 99 Ų | 99 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.5 | -44.9 | 178.4 | -76.6 | 178.6 | 179.4 | 0 | 0 | 110.9 | P380 L385 R386 E387 | P380-E383 WeakPolarHBondContact CD-OE2 3.49Å; P380-E383 HydrophobicContact CG-CB 4.03Å; P380-E383 VanDerWaalsContact CG-CD 3.41Å; P380-E383 HydrophobicContact CG-CG 3.73Å; P380-E383 WeakPolarHBondContact CG-OE2 3.3Å; P380-E383 PolarHBondContact O-N 3Å; E383-L385 PolarHBondContact O-N 3.06Å; E383-R386 WeakPolarHBondContact O-CA 3.35Å; E383-R386 WeakPolarHBondContact O-CB 3.43Å; E383-R386 PolarHBondContact O-N 3.47Å; E383-E387 WeakPolarHBondContact O-CG 3.25Å; E383-E387 PolarHBondContact O-N 2.93Å |
| 384 | L | 89.5 | Confident | 86.6 | Confident | 6 Ų | 6 | 101.2 Ų | 101.2 | 3% | 0.031 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -59.1 | -36.5 | 175 | -66.2 | 177.5 | 0 | 0 | 0 | 111.9 | L370 I373 H374 K379 P380 Y388 | L370-L384 HydrophobicContact CB-CB 4.43Å; L370-L384 HydrophobicContact CD2-CB 4.18Å; L370-L384 WeakPolarHBondContact O-CD1 3.42Å; I373-L384 HydrophobicContact CB-CD1 4.15Å; I373-L384 HydrophobicContact CG2-CD1 3.91Å; I373-L384 HydrophobicContact CG2-CD2 3.95Å; H374-L384 HydrophobicContact CB-CD1 3.86Å; K379-L384 HydrophobicContact CB-CD1 4.43Å; K379-L384 HydrophobicContact CB-CD2 4.17Å; K379-L384 HydrophobicContact CB-CG 4.17Å; K379-L384 HydrophobicContact CD-CD2 3.91Å; P380-L384 PolarHBondContact O-N 3.3Å; L384-Y388 WeakPolarHBondContact O-CB 3.47Å; L384-Y388 PolarHBondContact O-N 2.94Å |
| 385 | L | 88.6 | Confident | 86.3 | Confident | 19 Ų | 19 | 104.3 Ų | 104.3 | 10% | 0.099 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 172.3 | -87.3 | 164.6 | 0 | 0 | 0 | 113 | P341 I342 T356 L367 L370 P381 I382 E383 R389 | P341-L385 HydrophobicContact CG-CD2 4.2Å; I342-L385 HydrophobicContact CD1-CD2 3.93Å; I342-L385 HydrophobicContact CG1-CD2 3.74Å; T356-L385 HydrophobicContact CG2-CD1 3.72Å; L367-L385 HydrophobicContact CD2-CD1 4.08Å; L367-L385 HydrophobicContact CD2-CD2 3.83Å; L367-L385 HydrophobicContact CD2-CG 4.35Å; L370-L385 HydrophobicContact CD1-CD2 3.68Å; L370-L385 HydrophobicContact CD1-CG 3.88Å; P381-L385 WeakPolarHBondContact O-CB 3.32Å; P381-L385 WeakPolarHBondContact O-CG 3.38Å; P381-L385 PolarHBondContact O-N 3.29Å; I382-L385 PolarHBondContact O-N 3.38Å; E383-L385 PolarHBondContact O-N 3.06Å; L385-R389 PolarHBondContact O-N 3.45Å; L385-R389 VanDerWaalsContact O-N 3.17Å |
| 386 | R | 89 | Confident | 85.8 | Confident | 168 Ų | 168 | 104.2 Ų | 104.2 | 63% | 0.634 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.6 | -48.2 | 174.4 | -75.6 | -176.2 | -174.7 | -169.6 | 2.5 | 111.1 | I382 E383 Y388 R389 H390 | I382-R386 PolarHBondContact O-N 3.35Å; E383-R386 WeakPolarHBondContact O-CA 3.35Å; E383-R386 WeakPolarHBondContact O-CB 3.43Å; E383-R386 PolarHBondContact O-N 3.47Å; R386-Y388 VanDerWaalsContact C-N 3.29Å; R386-Y388 PolarHBondContact O-N 3.12Å; R386-R389 WeakPolarHBondContact O-CB 3.4Å; R386-R389 PolarHBondContact O-N 3.06Å; R386-H390 PolarHBondContact O-CD2 3.49Å; R386-H390 PolarHBondContact O-N 3.32Å |
| 387 | E | 90.2 | Very high | 85.2 | Confident | 97 Ų | 97 | 100.8 Ų | 100.8 | 45% | 0.453 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -54.7 | -46.5 | 176.2 | -71.1 | 179.5 | -178.6 | 0 | 0 | 110.4 | K379 E383 R389 H390 G391 | K379-E387 IonicContact NZ-OE1 2.71Å; K379-E387 PolarHBondContact NZ-OE1 3.42Å; K379-E387 IonicContact NZ-OE2 2.94Å; E383-E387 WeakPolarHBondContact O-CG 3.25Å; E383-E387 PolarHBondContact O-N 2.93Å; E387-R389 VanDerWaalsContact C-N 3.27Å; E387-R389 PolarHBondContact O-N 2.78Å; E387-H390 PolarHBondContact O-N 3.42Å; E387-G391 PolarHBondContact O-N 3.39Å |
| 388 | Y | 89.2 | Confident | 84.7 | Confident | 75 Ų | 75 | 102.7 Ų | 102.7 | 29% | 0.294 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.3 | -34.3 | 177.3 | -169.4 | -91.1 | 0 | 0 | 0 | 113.4 | I342 V366 L370 L384 R386 R392 | I342-Y388 HydrophobicContact CG2-CD1 4.45Å; I342-Y388 HydrophobicContact CG2-CE1 3.96Å; V366-Y388 HydrophobicContact CG1-CD1 3.96Å; V366-Y388 HydrophobicContact CG1-CD2 4.09Å; V366-Y388 HydrophobicContact CG1-CE1 3.68Å; V366-Y388 HydrophobicContact CG1-CE2 3.82Å; V366-Y388 HydrophobicContact CG1-CG 4.16Å; V366-Y388 HydrophobicContact CG2-CE1 4.41Å; L370-Y388 HydrophobicContact CD1-CG 4.44Å; L370-Y388 HydrophobicContact CD2-CD2 4.27Å; L384-Y388 WeakPolarHBondContact O-CB 3.47Å; L384-Y388 PolarHBondContact O-N 2.94Å; R386-Y388 VanDerWaalsContact C-N 3.29Å; R386-Y388 PolarHBondContact O-N 3.12Å; Y388-R392 PolarHBondContact OH-NH2 3.34Å |
| 389 | R | 86.5 | Confident | 84.1 | Confident | 144 Ų | 144 | 97 Ų | 97 | 54% | 0.543 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -75.8 | -34.6 | -179.1 | -143 | -176.1 | -161 | -161.3 | 1.1 | 112.4 | P341 L385 R386 E387 | P341-R389 PolarHBondContact O-NE 3.41Å; P341-R389 PolarHBondContact O-NH2 3.29Å; L385-R389 PolarHBondContact O-N 3.45Å; L385-R389 VanDerWaalsContact O-N 3.17Å; R386-R389 WeakPolarHBondContact O-CB 3.4Å; R386-R389 PolarHBondContact O-N 3.06Å; E387-R389 VanDerWaalsContact C-N 3.27Å; E387-R389 PolarHBondContact O-N 2.78Å |
| 390 | H | 83.5 | Confident | 83.7 | Confident | 158 Ų | 158 | 98.2 Ų | 98.2 | 73% | 0.731 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -84.1 | -19.7 | 178.8 | -68.2 | -59.8 | 0 | 0 | 0 | 113.2 | R386 E387 R392 | R386-H390 PolarHBondContact O-CD2 3.49Å; R386-H390 PolarHBondContact O-N 3.32Å; E387-H390 PolarHBondContact O-N 3.42Å; H390-R392 VanDerWaalsContact C-N 3.35Å |
| 391 | G | 73.5 | Confident | 83.3 | Confident | 71 Ų | 71 | 101.5 Ų | 101.5 | 73% | 0.732 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 12.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | E387 | E387-G391 PolarHBondContact O-N 3.39Š|
| 392 | R | 54.5 | Low | 83.4 | Confident | 225 Ų | 225 | 107.4 Ų | 107.4 | 85% | 0.849 | 50% | 0.495 | S | S | * | . | trans | -109.2 | 0 | 177.5 | -99 | -163.5 | -164.1 | -160.5 | 5 | 112.8 | Y388 H390 | Y388-R392 PolarHBondContact OH-NH2 3.34Å; H390-R392 VanDerWaalsContact C-N 3.35Å |
Retrieved 392 of 392 residues in 53.8 ms
(Link to these results)