| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.7 | Very low | 36.6 | Very low | 233 Ų | 233 | 152.7 Ų | 152.7 | 100% | 1.148 | 79% | 0.787 | S | S | * | * | 0 | 75.6 | 0 | -78.4 | -78.1 | -168.1 | 0 | 0 | 105.8 | |||||
| 2 | D | 28.6 | Very low | 38.8 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -89.4 | 108.4 | -174.5 | -62.2 | -66.2 | 0 | 0 | 0 | 108.8 | K4 | D2-K4 PolarHBondContact O-N 3.11Å; D2-K4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | Y | 29.3 | Very low | 41.2 | Very low | 209 Ų | 209 | 143.3 Ų | 143.3 | 82% | 0.82 | 75% | 0.75 | S | S | * | * | trans | -75.5 | 95 | 178.6 | -160.1 | -94.3 | 0 | 0 | 0 | 108.9 | S5 | Y3-S5 VanDerWaalsContact CD1-OG 3.32Å; Y3-S5 WeakPolarHBondContact CD1-OG 3.33Å; Y3-S5 WeakPolarHBondContact CE1-OG 3.21Å; Y3-S5 PolarHBondContact O-N 2.88Å; Y3-S5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | K | 30.6 | Very low | 43.1 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | trans | -74.9 | 92.9 | 170.5 | -79.6 | -177 | 177.3 | 178.1 | 0 | 109.7 | D2 S6 | D2-K4 PolarHBondContact O-N 3.11Å; D2-K4 VanDerWaalsContact O-N 3.09Å; K4-S6 PolarHBondContact O-N 3.07Å | ||
| 5 | S | 35.2 | Very low | 44.8 | Very low | 92 Ų | 92 | 134.8 Ų | 134.8 | 64% | 0.643 | 70% | 0.7 | S | S | * | * | trans | -79.3 | 95.9 | 159.8 | -63.5 | 0 | 0 | 0 | 0 | 109.1 | Y3 | Y3-S5 VanDerWaalsContact CD1-OG 3.32Å; Y3-S5 WeakPolarHBondContact CD1-OG 3.33Å; Y3-S5 WeakPolarHBondContact CE1-OG 3.21Å; Y3-S5 PolarHBondContact O-N 2.88Å; Y3-S5 VanDerWaalsContact O-N 3.12Å | ||
| 6 | S | 33.5 | Very low | 46.8 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | trans | -152 | 66.5 | 168.2 | -60.7 | 0 | 0 | 0 | 0 | 110.4 | K4 | K4-S6 PolarHBondContact O-N 3.07Š| ||
| 7 | L | 41.9 | Very low | 48.9 | Very low | 171 Ų | 171 | 126.8 Ų | 126.8 | 90% | 0.895 | 66% | 0.66 | S | S | * | * | trans | -138.8 | 81 | 160.7 | -74.2 | 176.1 | 0 | 0 | 0 | 108.3 | ||||
| 8 | I | 40.4 | Very low | 50.8 | Low | 158 Ų | 158 | 123.7 Ų | 123.7 | 81% | 0.81 | 64% | 0.642 | S | S | * | * | trans | -132.8 | 86.1 | 154.8 | -56.6 | -177.4 | 0 | 0 | 0 | 103 | ||||
| 9 | Q | 41.3 | Very low | 52.5 | Low | 170 Ų | 170 | 125 Ų | 125 | 79% | 0.794 | 64% | 0.642 | S | S | * | * | 62.9 | 96.6 | 93.8 | -156.1 | 168.8 | 14 | 0 | 0 | 108.6 | G11 | Q9-G11 PolarHBondContact O-N 3.47Š| |||
| 10 | D | 40.4 | Very low | 54.2 | Low | 172 Ų | 172 | 126.2 Ų | 126.2 | 92% | 0.92 | 64% | 0.644 | S | S | * | * | trans | -54.4 | 91.9 | 161.4 | -81.1 | -42.6 | 0 | 0 | 0 | 107.1 | N12 | D10-N12 PolarHBondContact O-N 3.46Š| ||
| 11 | G | 45.5 | Very low | 55.9 | Low | 22 Ų | 22 | 120.5 Ų | 120.5 | 23% | 0.227 | 62% | 0.615 | C | S | . | * | trans | -58.3 | 131 | 174.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q9 N16 | Q9-G11 PolarHBondContact O-N 3.47Å; G11-N16 PolarHBondContact O-ND2 3.24Å | ||
| 12 | N | 63.3 | Low | 58.4 | Low | 82 Ų | 82 | 112.1 Ų | 112.1 | 44% | 0.439 | 58% | 0.575 | S | S | . | * | trans | -46.1 | 130.3 | 172.5 | -161.4 | -11.1 | 0 | 0 | 0 | 107.8 | D10 M14 E15 N16 | D10-N12 PolarHBondContact O-N 3.46Å; N12-M14 PolarHBondContact O-N 3.46Å; N12-E15 HydrophobicContact CB-CG 4.28Å; N12-E15 PolarHBondContact O-N 3.33Å; N12-N16 PolarHBondContact O-N 2.91Å | ||
| 13 | P | 69.5 | Low | 61.5 | Low | 101 Ų | 101 | 104.8 Ų | 104.8 | 66% | 0.656 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -50.7 | -26.4 | -176.4 | 16.3 | -32.5 | 0 | 0 | 0 | 113.2 | L17 | P13-L17 WeakPolarHBondContact O-CB 3.32Å; P13-L17 PolarHBondContact O-N 2.93Å |
| 14 | M | 68.3 | Low | 64.3 | Low | 56 Ų | 56 | 97.9 Ų | 97.9 | 28% | 0.276 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.3 | -38.4 | 174.1 | -66.7 | -57 | -135 | 0 | 0 | 115.1 | N12 L17 E18 E108 | N12-M14 PolarHBondContact O-N 3.46Å; M14-L17 PolarHBondContact O-N 3.44Å; M14-E18 PolarHBondContact O-N 3.36Å; M14-E108 HydrophobicContact CE-CB 4.37Å; M14-E108 HydrophobicContact CE-CG 3.88Å; M14-E108 WeakPolarHBondContact CE-OE1 3.3Å; M14-E108 VanDerWaalsContact CE-OE2 3.22Å; M14-E108 WeakPolarHBondContact CE-OE2 3.34Å |
| 15 | E | 69.2 | Low | 67.2 | Low | 103 Ų | 103 | 92 Ų | 92 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -73.1 | -31.7 | 177.3 | -70.7 | 174.7 | 176.5 | 0 | 0 | 111.6 | N12 K19 | N12-E15 HydrophobicContact CB-CG 4.28Å; N12-E15 PolarHBondContact O-N 3.33Å; E15-K19 WeakPolarHBondContact O-CG 3.29Å; E15-K19 PolarHBondContact O-N 2.9Å |
| 16 | N | 76.5 | Confident | 69.8 | Low | 74 Ų | 74 | 89.8 Ų | 89.8 | 40% | 0.396 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.6 | -34.6 | 173.2 | -75.5 | -34.6 | 0 | 0 | 0 | 111.8 | G11 N12 Q20 | G11-N16 PolarHBondContact O-ND2 3.24Å; N12-N16 PolarHBondContact O-N 2.91Å; N16-Q20 WeakPolarHBondContact O-CG 2.96Å |
| 17 | L | 82.1 | Confident | 72.4 | Confident | 59 Ų | 59 | 91.1 Ų | 91.1 | 31% | 0.309 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.1 | -41.4 | 173.5 | -176.9 | 60.6 | 0 | 0 | 0 | 111.5 | P13 M14 K19 Q20 L21 Y105 | P13-L17 WeakPolarHBondContact O-CB 3.32Å; P13-L17 PolarHBondContact O-N 2.93Å; M14-L17 PolarHBondContact O-N 3.44Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.18Å; L17-Q20 WeakPolarHBondContact O-CB 3.38Å; L17-Q20 PolarHBondContact O-N 3.36Å; L17-L21 HydrophobicContact CG-CD1 4.23Å; L17-L21 WeakPolarHBondContact O-CG 3.18Å; L17-L21 PolarHBondContact O-N 3.3Å; L17-Y105 HydrophobicContact CD2-CD2 4.28Å |
| 18 | E | 83.8 | Confident | 74.8 | Confident | 72 Ų | 72 | 89 Ų | 89 | 34% | 0.336 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -55.3 | -46.2 | 177 | -176.1 | 166.3 | -137.6 | 0 | 0 | 112 | M14 Q20 L21 I22 M29 Y105 | M14-E18 PolarHBondContact O-N 3.36Å; E18-Q20 PolarHBondContact O-N 2.92Å; E18-L21 PolarHBondContact O-N 3.4Å; E18-I22 WeakPolarHBondContact O-CG1 3.31Å; E18-M29 HydrophobicContact CG-CE 4.11Å; E18-M29 WeakPolarHBondContact OE1-CE 3.31Å; E18-Y105 HydrophobicContact CB-CE2 4.36Å; E18-Y105 PolarHBondContact OE1-OH 3.43Å; E18-Y105 PolarHBondContact OE2-OH 3.41Å |
| 19 | K | 83.3 | Confident | 77.1 | Confident | 148 Ų | 148 | 83.6 Ų | 83.6 | 64% | 0.643 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.1 | -29.4 | 177.1 | -69 | 173.4 | -174.6 | 171.9 | 0 | 113.5 | E15 L17 L21 | E15-K19 WeakPolarHBondContact O-CG 3.29Å; E15-K19 PolarHBondContact O-N 2.9Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.18Å; K19-L21 VanDerWaalsContact C-N 3.33Å |
| 20 | Q | 85.1 | Confident | 79.4 | Confident | 148 Ų | 148 | 76.5 Ų | 76.5 | 69% | 0.692 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -80.6 | -14.1 | 178.5 | -65.5 | -177.8 | 19.1 | 0 | 0 | 113.2 | N16 L17 E18 | N16-Q20 WeakPolarHBondContact O-CG 2.96Å; L17-Q20 WeakPolarHBondContact O-CB 3.38Å; L17-Q20 PolarHBondContact O-N 3.36Å; E18-Q20 PolarHBondContact O-N 2.92Å |
| 21 | L | 89.5 | Confident | 81.8 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 5.3 | -179.2 | -61.4 | 177.4 | 0 | 0 | 0 | 113.4 | L17 E18 K19 M29 F30 I101 I102 Y105 | L17-L21 HydrophobicContact CG-CD1 4.23Å; L17-L21 WeakPolarHBondContact O-CG 3.18Å; L17-L21 PolarHBondContact O-N 3.3Å; E18-L21 PolarHBondContact O-N 3.4Å; K19-L21 VanDerWaalsContact C-N 3.33Å; L21-M29 CarbonylContact O-C 3.57Å; L21-M29 VanDerWaalsContact O-CA 3.3Å; L21-M29 WeakPolarHBondContact O-CA 3.41Å; L21-F30 WeakPolarHBondContact O-CD2 3.42Å; L21-F30 PolarHBondContact O-N 3.07Å; L21-I101 HydrophobicContact CD1-CG2 3.99Å; L21-I101 HydrophobicContact CD2-CB 4.39Å; L21-I101 HydrophobicContact CD2-CG2 3.77Å; L21-I101 HydrophobicContact CG-CG2 4.47Å; L21-I102 HydrophobicContact CB-CG1 4.15Å; L21-I102 HydrophobicContact CD1-CG1 4.07Å; L21-I102 HydrophobicContact CD2-CG1 3.98Å; L21-I102 HydrophobicContact CG-CG1 4.28Å; L21-Y105 HydrophobicContact CD1-CG 4.26Å |
| 22 | I | 89.9 | Confident | 83.9 | Confident | 57 Ų | 57 | 76.2 Ų | 76.2 | 29% | 0.292 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -91.9 | 135.9 | -178.8 | -66.9 | 169 | 0 | 0 | 0 | 111.1 | E18 F30 | E18-I22 WeakPolarHBondContact O-CG1 3.31Å; I22-F30 VanDerWaalsContact O-CZ 3.32Å; I22-F30 WeakPolarHBondContact O-CZ 3.14Å |
| 23 | C | 92 | Very high | 85.2 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 37% | 0.37 | C | S | . | . | trans | -74.2 | 129.2 | 173.2 | -178.5 | 0 | 0 | 0 | 0 | 111 | I25 C26 L27 E28 F30 C44 | C23-I25 PolarHBondContact O-N 3.49Å; C23-C26 VanDerWaalsContact CB-SG 3.53Å; C23-L27 VanDerWaalsContact O-CA 3.27Å; C23-L27 WeakPolarHBondContact O-CA 3.27Å; C23-L27 PolarHBondContact O-N 3.42Å; C23-E28 WeakPolarHBondContact CB-O 3.33Å; C23-E28 PolarHBondContact N-O 2.85Å; C23-F30 VanDerWaalsContact CA-CE1 3.41Å; C23-F30 HydrophobicContact CB-CD1 3.66Å; C23-F30 HydrophobicContact CB-CE1 3.7Å; C23-F30 HydrophobicContact CB-CG 4.46Å; C23-C44 VanDerWaalsContact CB-SG 3.57Å; C23-C44 VanDerWaalsContact SG-SG 3.61Å | ||
| 24 | P | 89.7 | Confident | 86.3 | Confident | 63 Ų | 63 | 67.5 Ų | 67.5 | 41% | 0.409 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -1.7 | -178.3 | 29.4 | -36.4 | 0 | 0 | 0 | 114.4 | L43 | P24-L43 HydrophobicContact CG-CD2 3.71Š|
| 25 | I | 90.2 | Very high | 87.4 | Confident | 71 Ų | 71 | 65.8 Ų | 65.8 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -55.1 | -176.5 | -52.3 | -59.3 | 0 | 0 | 0 | 111.3 | C23 L43 C47 I51 P76 | C23-I25 PolarHBondContact O-N 3.49Å; I25-L43 HydrophobicContact CG1-CD2 3.72Å; I25-C47 HydrophobicContact CB-CB 3.77Å; I25-C47 HydrophobicContact CG1-CB 4.13Å; I25-C47 HydrophobicContact CG2-CB 3.79Å; I25-I51 HydrophobicContact CD1-CD1 3.9Å; I25-I51 HydrophobicContact CG1-CD1 3.9Å; I25-P76 HydrophobicContact CD1-CB 3.54Å; I25-P76 HydrophobicContact CD1-CG 3.65Å; I25-P76 HydrophobicContact CG1-CG 4.37Å |
| 26 | C | 90.9 | Very high | 88.3 | Confident | 47 Ų | 47 | 60.9 Ų | 60.9 | 32% | 0.318 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -7.4 | 178.8 | 62.7 | 0 | 0 | 0 | 0 | 113.5 | C23 E28 | C23-C26 VanDerWaalsContact CB-SG 3.53Å; C26-E28 PolarHBondContact O-N 3.15Å |
| 27 | L | 88.7 | Confident | 88.5 | Confident | 132 Ų | 132 | 62.2 Ų | 62.2 | 69% | 0.691 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 57.5 | 14.7 | -177.9 | -52.5 | -179.8 | 0 | 0 | 0 | 114.7 | C23 | C23-L27 VanDerWaalsContact O-CA 3.27Å; C23-L27 WeakPolarHBondContact O-CA 3.27Å; C23-L27 PolarHBondContact O-N 3.42Å |
| 28 | E | 90.4 | Very high | 88.5 | Confident | 127 Ų | 127 | 62.7 Ų | 62.7 | 59% | 0.593 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -102.7 | 165.1 | 171.9 | -63 | 178.6 | 174.8 | 0 | 0 | 110.6 | C23 C26 | C23-E28 WeakPolarHBondContact CB-O 3.33Å; C23-E28 PolarHBondContact N-O 2.85Å; C26-E28 PolarHBondContact O-N 3.15Å |
| 29 | M | 89 | Confident | 88.8 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 22% | 0.217 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -55.6 | 141.4 | 170.9 | -68.8 | 177.4 | -175.4 | 0 | 0 | 111.4 | E18 L21 T31 Y105 | E18-M29 HydrophobicContact CG-CE 4.11Å; E18-M29 WeakPolarHBondContact OE1-CE 3.31Å; L21-M29 CarbonylContact O-C 3.57Å; L21-M29 VanDerWaalsContact O-CA 3.3Å; L21-M29 WeakPolarHBondContact O-CA 3.41Å; M29-T31 PolarHBondContact O-N 3.15Å; M29-T31 PolarHBondContact O-OG1 3.01Å; M29-Y105 HydrophobicContact CE-CD1 3.9Å; M29-Y105 HydrophobicContact CE-CE1 3.37Å; M29-Y105 HydrophobicContact SD-CD1 4.37Å; M29-Y105 HydrophobicContact SD-CE1 4.41Å |
| 30 | F | 90.8 | Very high | 89.2 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 9% | 0.092 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -55 | 126.8 | -176.3 | -68 | -73 | 0 | 0 | 0 | 112.6 | L21 I22 C23 P33 N42 V98 I102 | L21-F30 WeakPolarHBondContact O-CD2 3.42Å; L21-F30 PolarHBondContact O-N 3.07Å; I22-F30 VanDerWaalsContact O-CZ 3.32Å; I22-F30 WeakPolarHBondContact O-CZ 3.14Å; C23-F30 VanDerWaalsContact CA-CE1 3.41Å; C23-F30 HydrophobicContact CB-CD1 3.66Å; C23-F30 HydrophobicContact CB-CE1 3.7Å; C23-F30 HydrophobicContact CB-CG 4.46Å; F30-P33 HydrophobicContact CB-CB 3.96Å; F30-P33 HydrophobicContact CB-CG 4.33Å; F30-P33 HydrophobicContact CD1-CB 4.49Å; F30-P33 HydrophobicContact CG-CB 4.28Å; F30-N42 HydrophobicContact CE1-CB 4.09Å; F30-N42 WeakPolarHBondContact CE1-O 3.42Å; F30-N42 HydrophobicContact CE2-CB 4.45Å; F30-N42 HydrophobicContact CZ-CB 4Å; F30-V98 HydrophobicContact CB-CG1 4.32Å; F30-V98 HydrophobicContact CD2-CG1 3.77Å; F30-V98 HydrophobicContact CE2-CG1 4.48Å; F30-V98 HydrophobicContact CG-CG1 4.3Å; F30-I102 HydrophobicContact CB-CD1 3.64Å; F30-I102 HydrophobicContact CD2-CD1 4.47Å; F30-I102 VanDerWaalsContact O-CD1 3.28Å; F30-I102 WeakPolarHBondContact O-CD1 3.46Å |
| 31 | T | 89.4 | Confident | 89.5 | Confident | 79 Ų | 79 | 56.4 Ų | 56.4 | 49% | 0.485 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -111.9 | 114.2 | 174.7 | -62.4 | 0 | 0 | 0 | 0 | 109.2 | M29 C44 | M29-T31 PolarHBondContact O-N 3.15Å; M29-T31 PolarHBondContact O-OG1 3.01Å; T31-C44 PolarHBondContact N-SG 3.5Å |
| 32 | K | 89.7 | Confident | 89.6 | Confident | 109 Ų | 109 | 57.6 Ų | 57.6 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 51 | 63.4 | -172.1 | -50.2 | -170.7 | 176.6 | 170.8 | 0 | 111.1 | V34 R45 | K32-V34 PolarHBondContact O-N 3.22Å; K32-R45 HydrophobicContact CB-CB 4.35Å; K32-R45 PolarHBondContact O-N 2.93Å |
| 33 | P | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 132.6 | -176.3 | 23.7 | -33 | 0 | 0 | 0 | 111.2 | F30 L43 R94 N95 V98 E99 | F30-P33 HydrophobicContact CB-CB 3.96Å; F30-P33 HydrophobicContact CB-CG 4.33Å; F30-P33 HydrophobicContact CD1-CB 4.49Å; F30-P33 HydrophobicContact CG-CB 4.28Å; P33-L43 CarbonylContact C-O 3.22Å; P33-L43 WeakPolarHBondContact CA-O 3.44Å; P33-R94 CarbonylContact O-C 3.58Å; P33-R94 WeakPolarHBondContact O-CA 3.35Å; P33-R94 WeakPolarHBondContact O-CG 3.48Å; P33-N95 HydrophobicContact CB-CB 4.47Å; P33-N95 WeakPolarHBondContact CG-O 3.5Å; P33-N95 PolarHBondContact O-N 3.45Å; P33-V98 HydrophobicContact CB-CB 4.24Å; P33-V98 HydrophobicContact CB-CG1 4.03Å; P33-V98 HydrophobicContact CG-CB 3.88Å; P33-V98 HydrophobicContact CG-CG1 3.87Å; P33-E99 HydrophobicContact CG-CB 4.17Å |
| 34 | V | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 142 | 171.1 | -65.9 | 0 | 0 | 0 | 0 | 109.8 | K32 N42 L43 R45 A48 L92 Q93 | K32-V34 PolarHBondContact O-N 3.22Å; V34-N42 WeakPolarHBondContact O-CA 3.38Å; V34-L43 WeakPolarHBondContact CG2-O 3.35Å; V34-L43 PolarHBondContact N-O 3.3Å; V34-L43 PolarHBondContact O-N 3.18Å; V34-L43 VanDerWaalsContact O-N 3.07Å; V34-R45 HydrophobicContact CG1-CB 4.04Å; V34-R45 HydrophobicContact CG1-CG 4.03Å; V34-A48 HydrophobicContact CG2-CB 3.9Å; V34-L92 HydrophobicContact CB-CB 3.91Å; V34-L92 HydrophobicContact CB-CD1 4.39Å; V34-L92 HydrophobicContact CG1-CB 4.36Å; V34-L92 HydrophobicContact CG2-CB 4.33Å; V34-L92 HydrophobicContact CG2-CD1 3.9Å; V34-Q93 CarbonylContact C-O 3.56Å; V34-Q93 VanDerWaalsContact CA-O 3.3Å; V34-Q93 WeakPolarHBondContact CA-O 3.41Å |
| 35 | V | 91.4 | Very high | 89.9 | Confident | 20 Ų | 20 | 56 Ų | 56 | 12% | 0.121 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 133.7 | 179.6 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | L37 Q93 N95 | V35-L37 HydrophobicContact CG1-CD2 4.16Å; V35-L37 HydrophobicContact CG1-CG 4.43Å; V35-L37 PolarHBondContact O-N 2.96Å; V35-Q93 HydrophobicContact CG1-CB 4.02Å; V35-Q93 PolarHBondContact N-O 3.12Å; V35-N95 HydrophobicContact CB-CB 4.46Å |
| 36 | I | 88.1 | Confident | 89.9 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -88.9 | 96.2 | 173.7 | -58.7 | 173.2 | 0 | 0 | 0 | 108.2 | P38 C39 Q40 H41 L43 F73 C75 V82 | I36-P38 VanDerWaalsContact C-CD 3.41Å; I36-P38 HydrophobicContact CG2-CG 4.02Å; I36-P38 VanDerWaalsContact O-N 3.14Å; I36-C39 WeakPolarHBondContact CG2-SG 3.37Å; I36-C39 CarbonylContact O-C 3.58Å; I36-C39 PolarHBondContact O-N 3.45Å; I36-Q40 WeakPolarHBondContact O-CA 3.37Å; I36-Q40 PolarHBondContact O-N 2.94Å; I36-H41 PolarHBondContact N-O 3.04Å; I36-L43 HydrophobicContact CD1-CD1 3.84Å; I36-L43 HydrophobicContact CD1-CG 4.28Å; I36-F73 HydrophobicContact CD1-CE2 4.04Å; I36-F73 HydrophobicContact CD1-CZ 4.03Å; I36-F73 HydrophobicContact CG1-CZ 4.24Å; I36-C75 HydrophobicContact CD1-CB 4.06Å; I36-V82 HydrophobicContact CG2-CB 4.49Å; I36-V82 HydrophobicContact CG2-CG1 4.27Å; I36-V82 HydrophobicContact CG2-CG2 3.44Å; I36-V82 VanDerWaalsContact CG2-CG2 3.44Å | ||
| 37 | L | 80.5 | Confident | 90 | Very high | 102 Ų | 102 | 58.8 Ų | 58.8 | 53% | 0.534 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -29.4 | -169.5 | -73 | 168.6 | 0 | 0 | 0 | 117.5 | V35 Q93 | V35-L37 HydrophobicContact CG1-CD2 4.16Å; V35-L37 HydrophobicContact CG1-CG 4.43Å; V35-L37 PolarHBondContact O-N 2.96Å; L37-Q93 HydrophobicContact CD1-CG 4.38Å |
| 38 | P | 83.2 | Confident | 90.1 | Very high | 68 Ų | 68 | 52.5 Ų | 52.5 | 44% | 0.442 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -18.9 | 174.8 | 28.2 | -35.8 | 0 | 0 | 0 | 114.9 | I36 V82 | I36-P38 VanDerWaalsContact C-CD 3.41Å; I36-P38 HydrophobicContact CG2-CG 4.02Å; I36-P38 VanDerWaalsContact O-N 3.14Å; P38-V82 HydrophobicContact CG-CB 4.45Å; P38-V82 HydrophobicContact CG-CG1 4.07Å; P38-V82 HydrophobicContact CG-CG2 3.9Å |
| 39 | C | 89.9 | Confident | 90 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | 1.9 | -178 | 69.6 | 0 | 0 | 0 | 0 | 114.9 | I36 H41 C78 H80 | I36-C39 WeakPolarHBondContact CG2-SG 3.37Å; I36-C39 CarbonylContact O-C 3.58Å; I36-C39 PolarHBondContact O-N 3.45Å; C39-H41 PolarHBondContact O-CE1 3Å; C39-H41 PolarHBondContact O-N 3.44Å; C39-H41 PolarHBondContact O-ND1 3.33Å; C39-H41 PolarHBondContact SG-ND1 3.27Å; C39-C78 WeakPolarHBondContact CB-SG 3.45Å; C39-C78 PolarHBondContact SG-SG 3.11Å; C39-H80 HydrophobicContact CB-CB 4.04Å |
| 40 | Q | 89.9 | Confident | 90 | Very high | 153 Ų | 153 | 50.5 Ų | 50.5 | 72% | 0.715 | 25% | 0.252 | S | S | * | . | trans | 54.9 | 14.3 | 176.8 | -56.7 | -177.5 | 12.5 | 0 | 0 | 116.2 | I36 | I36-Q40 WeakPolarHBondContact O-CA 3.37Å; I36-Q40 PolarHBondContact O-N 2.94Å | ||
| 41 | H | 91.5 | Very high | 89.9 | Confident | 61 Ų | 61 | 51.2 Ų | 51.2 | 28% | 0.282 | 26% | 0.257 | S | S | . | . | trans | -76.9 | 147.6 | 174.6 | -69.1 | 99.3 | 0 | 0 | 0 | 111.4 | I36 C39 T77 C78 | I36-H41 PolarHBondContact N-O 3.04Å; C39-H41 PolarHBondContact O-CE1 3Å; C39-H41 PolarHBondContact O-N 3.44Å; C39-H41 PolarHBondContact O-ND1 3.33Å; C39-H41 PolarHBondContact SG-ND1 3.27Å; H41-T77 WeakPolarHBondContact CD2-CG2 3.27Å; H41-T77 WeakPolarHBondContact NE2-CG2 3.37Å; H41-C78 PolarHBondContact ND1-SG 3.18Å; H41-C78 VanDerWaalsContact ND1-SG 3.39Å | ||
| 42 | N | 92 | Very high | 89.8 | Confident | 32 Ų | 32 | 48.2 Ų | 48.2 | 17% | 0.171 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 142 | -179.4 | -62.6 | -84.9 | 0 | 0 | 0 | 110.3 | F30 V34 N95 | F30-N42 HydrophobicContact CE1-CB 4.09Å; F30-N42 WeakPolarHBondContact CE1-O 3.42Å; F30-N42 HydrophobicContact CE2-CB 4.45Å; F30-N42 HydrophobicContact CZ-CB 4Å; V34-N42 WeakPolarHBondContact O-CA 3.38Å; N42-N95 WeakPolarHBondContact OD1-CB 3.43Å; N42-N95 PolarHBondContact OD1-ND2 3.09Å |
| 43 | L | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 155.6 | 172.7 | -67.8 | 178.1 | 0 | 0 | 0 | 109.6 | P24 I25 P33 V34 I36 A48 I51 P76 | P24-L43 HydrophobicContact CG-CD2 3.71Å; I25-L43 HydrophobicContact CG1-CD2 3.72Å; P33-L43 CarbonylContact C-O 3.22Å; P33-L43 WeakPolarHBondContact CA-O 3.44Å; V34-L43 WeakPolarHBondContact CG2-O 3.35Å; V34-L43 PolarHBondContact N-O 3.3Å; V34-L43 PolarHBondContact O-N 3.18Å; V34-L43 VanDerWaalsContact O-N 3.07Å; I36-L43 HydrophobicContact CD1-CD1 3.84Å; I36-L43 HydrophobicContact CD1-CG 4.28Å; L43-A48 HydrophobicContact CB-CB 4.31Å; L43-A48 HydrophobicContact CD1-CB 4.3Å; L43-I51 HydrophobicContact CD1-CD1 4.12Å; L43-P76 HydrophobicContact CD1-CG 4.14Å |
| 44 | C | 94.3 | Very high | 89.3 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 142.3 | 164.2 | -63.7 | 0 | 0 | 0 | 0 | 109.8 | C23 T31 K46 C47 A48 | C23-C44 VanDerWaalsContact CB-SG 3.57Å; C23-C44 VanDerWaalsContact SG-SG 3.61Å; T31-C44 PolarHBondContact N-SG 3.5Å; C44-K46 PolarHBondContact O-N 3.27Å; C44-C47 HydrophobicContact CB-CB 4.12Å; C44-C47 PolarHBondContact O-N 3.23Å; C44-C47 VanDerWaalsContact O-N 3.14Å; C44-A48 PolarHBondContact O-N 3.1Å |
| 45 | R | 91.3 | Very high | 88.8 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 31% | 0.306 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.7 | -36.4 | 179.2 | -166.5 | 170 | -147.4 | 175.7 | 9 | 113.4 | K32 V34 N49 Y90 | K32-R45 HydrophobicContact CB-CB 4.35Å; K32-R45 PolarHBondContact O-N 2.93Å; V34-R45 HydrophobicContact CG1-CB 4.04Å; V34-R45 HydrophobicContact CG1-CG 4.03Å; R45-N49 WeakPolarHBondContact O-CB 3.32Å; R45-N49 PolarHBondContact O-N 2.97Å; R45-N49 VanDerWaalsContact O-N 3.17Å; R45-Y90 PolarHBondContact NH2-O 3.25Å |
| 46 | K | 91.2 | Very high | 88.2 | Confident | 167 Ų | 167 | 55 Ų | 55 | 73% | 0.726 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.7 | -53.7 | 174.8 | -68.4 | -175.1 | 178.7 | -178.6 | 0 | 111 | C44 A48 N49 D50 | C44-K46 PolarHBondContact O-N 3.27Å; K46-A48 VanDerWaalsContact C-N 3.3Å; K46-A48 PolarHBondContact O-N 3.38Å; K46-N49 CarbonylContact O-C 3.57Å; K46-N49 WeakPolarHBondContact O-CA 3.38Å; K46-N49 VanDerWaalsContact O-CB 3.25Å; K46-N49 WeakPolarHBondContact O-CB 3.16Å; K46-N49 PolarHBondContact O-N 3.43Å; K46-D50 VanDerWaalsContact O-CG 3.25Å; K46-D50 PolarHBondContact O-N 3.41Å |
| 47 | C | 92.9 | Very high | 87.3 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.6 | -42.8 | 178 | -59.8 | 0 | 0 | 0 | 0 | 112.9 | I25 C44 N49 D50 I51 | I25-C47 HydrophobicContact CB-CB 3.77Å; I25-C47 HydrophobicContact CG1-CB 4.13Å; I25-C47 HydrophobicContact CG2-CB 3.79Å; C44-C47 HydrophobicContact CB-CB 4.12Å; C44-C47 PolarHBondContact O-N 3.23Å; C44-C47 VanDerWaalsContact O-N 3.14Å; C47-N49 VanDerWaalsContact C-N 3.27Å; C47-N49 PolarHBondContact O-N 3.06Å; C47-D50 PolarHBondContact O-N 2.98Å; C47-I51 VanDerWaalsContact O-CD1 3.29Å; C47-I51 WeakPolarHBondContact O-CD1 3.19Å; C47-I51 VanDerWaalsContact O-CG1 3.25Å; C47-I51 WeakPolarHBondContact O-CG1 3.36Å; C47-I51 PolarHBondContact O-N 3.12Å |
| 48 | A | 89.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.9 | -36.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V34 L43 C44 K46 F52 V89 L92 | V34-A48 HydrophobicContact CG2-CB 3.9Å; L43-A48 HydrophobicContact CB-CB 4.31Å; L43-A48 HydrophobicContact CD1-CB 4.3Å; C44-A48 PolarHBondContact O-N 3.1Å; K46-A48 VanDerWaalsContact C-N 3.3Å; K46-A48 PolarHBondContact O-N 3.38Å; A48-F52 VanDerWaalsContact O-CB 3.29Å; A48-F52 WeakPolarHBondContact O-CB 3.24Å; A48-F52 PolarHBondContact O-N 3.02Å; A48-F52 VanDerWaalsContact O-N 3.09Å; A48-V89 HydrophobicContact CB-CG1 3.8Å; A48-V89 WeakPolarHBondContact O-CG2 3.5Å; A48-L92 HydrophobicContact CB-CD1 4.27Å |
| 49 | N | 88.9 | Confident | 86 | Confident | 36 Ų | 36 | 66.6 Ų | 66.6 | 19% | 0.193 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.1 | -44.5 | 177 | -168.6 | -110.7 | 0 | 0 | 0 | 112 | R45 K46 C47 I51 F52 Q53 V89 | R45-N49 WeakPolarHBondContact O-CB 3.32Å; R45-N49 PolarHBondContact O-N 2.97Å; R45-N49 VanDerWaalsContact O-N 3.17Å; K46-N49 CarbonylContact O-C 3.57Å; K46-N49 WeakPolarHBondContact O-CA 3.38Å; K46-N49 VanDerWaalsContact O-CB 3.25Å; K46-N49 WeakPolarHBondContact O-CB 3.16Å; K46-N49 PolarHBondContact O-N 3.43Å; C47-N49 VanDerWaalsContact C-N 3.27Å; C47-N49 PolarHBondContact O-N 3.06Å; N49-I51 PolarHBondContact O-N 3.2Å; N49-F52 PolarHBondContact O-N 3.38Å; N49-Q53 WeakPolarHBondContact O-CG 3.29Å; N49-Q53 PolarHBondContact O-N 2.83Å; N49-Q53 PolarHBondContact OD1-NE2 2.93Å; N49-V89 HydrophobicContact CB-CG1 4.16Å |
| 50 | D | 89.1 | Confident | 84.5 | Confident | 93 Ų | 93 | 71.1 Ų | 71.1 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 179 | -55.5 | -31.7 | 0 | 0 | 0 | 111 | K46 C47 F52 Q53 A54 | K46-D50 VanDerWaalsContact O-CG 3.25Å; K46-D50 PolarHBondContact O-N 3.41Å; C47-D50 PolarHBondContact O-N 2.98Å; D50-F52 PolarHBondContact O-N 3.36Å; D50-Q53 PolarHBondContact O-N 3.29Å; D50-A54 WeakPolarHBondContact O-CB 3.39Å; D50-A54 PolarHBondContact O-N 3.46Å |
| 51 | I | 88.7 | Confident | 83 | Confident | 37 Ų | 37 | 67.5 Ų | 67.5 | 19% | 0.19 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 175.9 | -67.2 | 159.1 | 0 | 0 | 0 | 111.3 | I25 L43 C47 N49 A54 A55 F73 P76 | I25-I51 HydrophobicContact CD1-CD1 3.9Å; I25-I51 HydrophobicContact CG1-CD1 3.9Å; L43-I51 HydrophobicContact CD1-CD1 4.12Å; C47-I51 VanDerWaalsContact O-CD1 3.29Å; C47-I51 WeakPolarHBondContact O-CD1 3.19Å; C47-I51 VanDerWaalsContact O-CG1 3.25Å; C47-I51 WeakPolarHBondContact O-CG1 3.36Å; C47-I51 PolarHBondContact O-N 3.12Å; N49-I51 PolarHBondContact O-N 3.2Å; I51-A54 PolarHBondContact O-N 3.36Å; I51-A55 VanDerWaalsContact O-CB 3.3Å; I51-A55 WeakPolarHBondContact O-CB 3.49Å; I51-A55 PolarHBondContact O-N 2.98Å; I51-F73 HydrophobicContact CG2-CB 4.43Å; I51-F73 HydrophobicContact CG2-CD2 3.84Å; I51-P76 HydrophobicContact CD1-CG 3.35Å; I51-P76 HydrophobicContact CG1-CG 4.46Å |
| 52 | F | 87.1 | Confident | 81 | Confident | 15 Ų | 15 | 75.7 Ų | 75.7 | 7% | 0.066 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.2 | -40.4 | 179.8 | 178.9 | -97.3 | 0 | 0 | 0 | 112.2 | A48 N49 D50 A55 N56 W59 F73 M84 V89 | A48-F52 VanDerWaalsContact O-CB 3.29Å; A48-F52 WeakPolarHBondContact O-CB 3.24Å; A48-F52 PolarHBondContact O-N 3.02Å; A48-F52 VanDerWaalsContact O-N 3.09Å; N49-F52 PolarHBondContact O-N 3.38Å; D50-F52 PolarHBondContact O-N 3.36Å; F52-A55 PolarHBondContact O-N 3.38Å; F52-N56 WeakPolarHBondContact O-CB 3.45Å; F52-N56 PolarHBondContact O-N 3.28Å; F52-N56 VanDerWaalsContact O-N 3.09Å; F52-N56 PolarHBondContact O-ND2 2.8Å; F52-W59 HydrophobicContact CE1-CE3 4.38Å; F52-W59 HydrophobicContact CZ-CD2 4.4Å; F52-W59 HydrophobicContact CZ-CE3 4.36Å; F52-F73 HydrophobicContact CD2-CB 4.45Å; F52-F73 HydrophobicContact CD2-CD1 4.11Å; F52-M84 HydrophobicContact CD2-CG 4.2Å; F52-M84 HydrophobicContact CE2-CB 4.11Å; F52-M84 HydrophobicContact CE2-CG 3.83Å; F52-V89 HydrophobicContact CB-CG2 3.3Å; F52-V89 HydrophobicContact CD1-CG2 3.92Å; F52-V89 HydrophobicContact CD2-CG2 4.08Å; F52-V89 HydrophobicContact CG-CG2 3.51Å |
| 53 | Q | 84.9 | Confident | 79.1 | Confident | 111 Ų | 111 | 78.3 Ų | 78.3 | 52% | 0.519 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 175.2 | -72.3 | -173.9 | 36.1 | 0 | 0 | 111.5 | N49 D50 A55 N56 | N49-Q53 WeakPolarHBondContact O-CG 3.29Å; N49-Q53 PolarHBondContact O-N 2.83Å; N49-Q53 PolarHBondContact OD1-NE2 2.93Å; D50-Q53 PolarHBondContact O-N 3.29Å; Q53-A55 VanDerWaalsContact C-N 3.3Å; Q53-A55 PolarHBondContact O-N 2.99Å; Q53-N56 CarbonylContact O-C 3.58Å; Q53-N56 VanDerWaalsContact O-C 3.22Å; Q53-N56 PolarHBondContact O-N 3.19Å; Q53-N56 VanDerWaalsContact O-N 3.11Å |
| 54 | A | 84.2 | Confident | 76.6 | Confident | 81 Ų | 81 | 83.2 Ų | 83.2 | 67% | 0.669 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.9 | -38.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D50 I51 N56 | D50-A54 WeakPolarHBondContact O-CB 3.39Å; D50-A54 PolarHBondContact O-N 3.46Å; I51-A54 PolarHBondContact O-N 3.36Å; A54-N56 VanDerWaalsContact C-N 3.3Å; A54-N56 PolarHBondContact O-N 3.14Å |
| 55 | A | 82.3 | Confident | 74.4 | Confident | 52 Ų | 52 | 88.6 Ų | 88.6 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -75.7 | -15.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I51 F52 Q53 F73 | I51-A55 VanDerWaalsContact O-CB 3.3Å; I51-A55 WeakPolarHBondContact O-CB 3.49Å; I51-A55 PolarHBondContact O-N 2.98Å; F52-A55 PolarHBondContact O-N 3.38Å; Q53-A55 VanDerWaalsContact C-N 3.3Å; Q53-A55 PolarHBondContact O-N 2.99Å; A55-F73 HydrophobicContact CB-CB 4.17Å |
| 56 | N | 78.8 | Confident | 72.3 | Confident | 28 Ų | 28 | 90.8 Ų | 90.8 | 15% | 0.15 | 52% | 0.522 | C | S | . | . | trans | -137.7 | 73 | -177.3 | -56.1 | -94.5 | 0 | 0 | 0 | 111.5 | F52 Q53 A54 Y58 W59 R72 | F52-N56 WeakPolarHBondContact O-CB 3.45Å; F52-N56 PolarHBondContact O-N 3.28Å; F52-N56 VanDerWaalsContact O-N 3.09Å; F52-N56 PolarHBondContact O-ND2 2.8Å; Q53-N56 CarbonylContact O-C 3.58Å; Q53-N56 VanDerWaalsContact O-C 3.22Å; Q53-N56 PolarHBondContact O-N 3.19Å; Q53-N56 VanDerWaalsContact O-N 3.11Å; A54-N56 VanDerWaalsContact C-N 3.3Å; A54-N56 PolarHBondContact O-N 3.14Å; N56-Y58 PolarHBondContact O-N 3.45Å; N56-W59 HydrophobicContact CB-CB 3.76Å; N56-W59 HydrophobicContact CB-CG 4.03Å; N56-W59 WeakPolarHBondContact O-CB 3.41Å; N56-W59 PolarHBondContact O-N 3.27Å; N56-W59 VanDerWaalsContact O-N 3.09Å; N56-R72 PolarHBondContact ND2-O 3.32Å; N56-R72 PolarHBondContact OD1-N 2.79Å | ||
| 57 | P | 71.1 | Confident | 70.3 | Confident | 92 Ų | 92 | 86.7 Ų | 86.7 | 60% | 0.597 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -28 | -175.1 | -22.1 | 33.1 | 0 | 0 | 0 | 114.3 | ||
| 58 | Y | 70.1 | Confident | 68.3 | Low | 218 Ų | 218 | 95.4 Ų | 95.4 | 86% | 0.855 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -2.4 | -179.4 | -52.3 | -70.7 | 0 | 0 | 0 | 113.4 | N56 T60 | N56-Y58 PolarHBondContact O-N 3.45Å; Y58-T60 PolarHBondContact O-N 3.21Å |
| 59 | W | 65.9 | Low | 66.8 | Low | 104 Ų | 104 | 99.4 Ų | 99.4 | 39% | 0.394 | 58% | 0.584 | S | S | . | * | trans | -79.6 | 71.8 | 175.4 | -106.7 | 80.8 | 0 | 0 | 0 | 110.1 | F52 N56 | F52-W59 HydrophobicContact CE1-CE3 4.38Å; F52-W59 HydrophobicContact CZ-CD2 4.4Å; F52-W59 HydrophobicContact CZ-CE3 4.36Å; N56-W59 HydrophobicContact CB-CB 3.76Å; N56-W59 HydrophobicContact CB-CG 4.03Å; N56-W59 WeakPolarHBondContact O-CB 3.41Å; N56-W59 PolarHBondContact O-N 3.27Å; N56-W59 VanDerWaalsContact O-N 3.09Å | ||
| 60 | T | 57.9 | Low | 65.6 | Low | 117 Ų | 117 | 98.6 Ų | 98.6 | 72% | 0.718 | 59% | 0.585 | S | S | * | * | trans | -88.9 | 116.4 | 172.1 | 55.3 | 0 | 0 | 0 | 0 | 109.4 | Y58 R62 | Y58-T60 PolarHBondContact O-N 3.21Å; T60-R62 PolarHBondContact O-N 3.49Å | ||
| 61 | G | 57.6 | Low | 65 | Low | 78 Ų | 78 | 94.2 Ų | 94.2 | 80% | 0.804 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -71.4 | 66.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 62 | R | 50.2 | Low | 64.9 | Low | 232 Ų | 232 | 98.2 Ų | 98.2 | 88% | 0.875 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -153.4 | 101.1 | 159.8 | -67.6 | -161.8 | -168.9 | -153 | 3.8 | 110.6 | T60 S64 | T60-R62 PolarHBondContact O-N 3.49Å; R62-S64 PolarHBondContact O-N 3.31Å |
| 63 | G | 51.4 | Low | 64.9 | Low | 87 Ų | 87 | 97.8 Ų | 97.8 | 90% | 0.897 | 57% | 0.573 | S | S | * | * | trans | 73.6 | 20.1 | 140.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 64 | S | 41.2 | Very low | 65.2 | Low | 104 Ų | 104 | 100.1 Ų | 100.1 | 73% | 0.727 | 58% | 0.577 | S | S | * | * | trans | -98.2 | 114.2 | 171.9 | -84.4 | 0 | 0 | 0 | 0 | 112.2 | R62 V66 | R62-S64 PolarHBondContact O-N 3.31Å; S64-V66 PolarHBondContact O-N 3.29Å | ||
| 65 | S | 47.9 | Very low | 65.4 | Low | 118 Ų | 118 | 96.3 Ų | 96.3 | 83% | 0.825 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 33.3 | -174.2 | 72.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 66 | V | 47.6 | Very low | 65.7 | Low | 128 Ų | 128 | 96.3 Ų | 96.3 | 78% | 0.776 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.1 | 16.9 | -168.4 | -78.6 | 0 | 0 | 0 | 0 | 116.6 | S64 | S64-V66 PolarHBondContact O-N 3.29Š|
| 67 | S | 48.8 | Very low | 66.1 | Low | 80 Ų | 80 | 98.2 Ų | 98.2 | 56% | 0.559 | 55% | 0.553 | S | S | * | * | trans | -139.4 | 103.7 | 162.6 | -164.7 | 0 | 0 | 0 | 0 | 112.1 | S69 | S67-S69 PolarHBondContact O-N 2.98Å; S67-S69 PolarHBondContact OG-N 3.16Å | ||
| 68 | M | 51.8 | Low | 67 | Low | 192 Ų | 192 | 96.4 Ų | 96.4 | 95% | 0.946 | 54% | 0.542 | S | S | * | . | trans | -75 | 5 | 168.1 | -68.2 | -68.3 | 166.3 | 0 | 0 | 112.3 | ||||
| 69 | S | 56.9 | Low | 67.9 | Low | 84 Ų | 84 | 95.5 Ų | 95.5 | 59% | 0.587 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -95.4 | 108.2 | -177.1 | -60.8 | 0 | 0 | 0 | 0 | 109.7 | S67 | S67-S69 PolarHBondContact O-N 2.98Å; S67-S69 PolarHBondContact OG-N 3.16Å |
| 70 | G | 64.5 | Low | 69 | Low | 19 Ų | 19 | 94.9 Ų | 94.9 | 20% | 0.196 | 54% | 0.539 | C | S | . | . | trans | -58.5 | 143.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M84 | G70-M84 VanDerWaalsContact CA-O 3.22Å; G70-M84 WeakPolarHBondContact CA-O 3.48Å | ||
| 71 | G | 76.9 | Confident | 70.4 | Confident | 2 Ų | 2 | 93.6 Ų | 93.6 | 2% | 0.021 | 53% | 0.525 | C | S | . | . | trans | -61.6 | 157.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M84 | G71-M84 VanDerWaalsContact O-CB 3.27Å; G71-M84 WeakPolarHBondContact O-CB 3.41Å; G71-M84 PolarHBondContact O-N 2.79Å | ||
| 72 | R | 85.1 | Confident | 71.7 | Confident | 121 Ų | 121 | 90.2 Ų | 90.2 | 46% | 0.457 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 144.2 | -178.3 | -61.3 | 179.6 | -178.3 | -116.3 | -2.8 | 110.4 | N56 E81 V82 I83 | N56-R72 PolarHBondContact ND2-O 3.32Å; N56-R72 PolarHBondContact OD1-N 2.79Å; R72-E81 IonicContact NH1-OE2 2.97Å; R72-E81 PolarHBondContact NH1-OE2 2.87Å; R72-V82 WeakPolarHBondContact CA-O 3.36Å; R72-I83 HydrophobicContact CG-CG1 4.32Å; R72-I83 VanDerWaalsContact NH1-CD1 3.34Å |
| 73 | F | 88.6 | Confident | 73.3 | Confident | 5 Ų | 5 | 83.9 Ų | 83.9 | 2% | 0.022 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 159.5 | 167.2 | 81.1 | -79 | 0 | 0 | 0 | 110.3 | I36 I51 F52 A55 V82 M84 | I36-F73 HydrophobicContact CD1-CE2 4.04Å; I36-F73 HydrophobicContact CD1-CZ 4.03Å; I36-F73 HydrophobicContact CG1-CZ 4.24Å; I51-F73 HydrophobicContact CG2-CB 4.43Å; I51-F73 HydrophobicContact CG2-CD2 3.84Å; F52-F73 HydrophobicContact CD2-CB 4.45Å; F52-F73 HydrophobicContact CD2-CD1 4.11Å; A55-F73 HydrophobicContact CB-CB 4.17Å; F73-V82 HydrophobicContact CD1-CB 4.15Å; F73-V82 HydrophobicContact CE1-CB 3.85Å; F73-V82 HydrophobicContact CE1-CG1 3.98Å; F73-V82 HydrophobicContact CE1-CG2 4.33Å; F73-V82 HydrophobicContact CZ-CB 4.29Å; F73-V82 HydrophobicContact CZ-CG2 4.26Å; F73-V82 PolarHBondContact N-O 3.26Å; F73-V82 VanDerWaalsContact N-O 3.08Å; F73-V82 PolarHBondContact O-N 3.01Å; F73-M84 HydrophobicContact CD1-CG 4.03Å; F73-M84 HydrophobicContact CD1-SD 4.23Å; F73-M84 HydrophobicContact CE1-CG 4.09Å; F73-M84 HydrophobicContact CE1-SD 3.68Å |
| 74 | R | 89.7 | Confident | 74.6 | Confident | 160 Ų | 160 | 80.5 Ų | 80.5 | 60% | 0.604 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 135 | 175.9 | -66.3 | -169.9 | 178.5 | -175.2 | -0 | 110.3 | P76 H80 | R74-P76 WeakPolarHBondContact O-CD 3.36Å; R74-H80 WeakPolarHBondContact CA-O 3.47Å |
| 75 | C | 89.4 | Confident | 76.2 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.007 | 42% | 0.415 | C | S | . | . | trans | -59.7 | 124.7 | 173.8 | 175.8 | 0 | 0 | 0 | 0 | 109.7 | I36 T77 C78 R79 H80 | I36-C75 HydrophobicContact CD1-CB 4.06Å; C75-T77 PolarHBondContact O-N 2.88Å; C75-T77 PolarHBondContact SG-N 3.42Å; C75-C78 PolarHBondContact SG-SG 2.93Å; C75-R79 WeakPolarHBondContact O-CA 3.46Å; C75-R79 PolarHBondContact O-N 2.93Å; C75-H80 HydrophobicContact CB-CB 4.5Å; C75-H80 PolarHBondContact N-O 2.99Å | ||
| 76 | P | 88.4 | Confident | 77.5 | Confident | 52 Ų | 52 | 82.9 Ų | 82.9 | 34% | 0.338 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -27.8 | 179.9 | -23.6 | 33.7 | 0 | 0 | 0 | 114 | I25 L43 I51 R74 | I25-P76 HydrophobicContact CD1-CB 3.54Å; I25-P76 HydrophobicContact CD1-CG 3.65Å; I25-P76 HydrophobicContact CG1-CG 4.37Å; L43-P76 HydrophobicContact CD1-CG 4.14Å; I51-P76 HydrophobicContact CD1-CG 3.35Å; I51-P76 HydrophobicContact CG1-CG 4.46Å; R74-P76 WeakPolarHBondContact O-CD 3.36Å |
| 77 | T | 87.6 | Confident | 78.9 | Confident | 68 Ų | 68 | 81.1 Ų | 81.1 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -39.4 | -175.5 | -44 | 0 | 0 | 0 | 0 | 112.9 | H41 C75 | H41-T77 WeakPolarHBondContact CD2-CG2 3.27Å; H41-T77 WeakPolarHBondContact NE2-CG2 3.37Å; C75-T77 PolarHBondContact O-N 2.88Å; C75-T77 PolarHBondContact SG-N 3.42Å |
| 78 | C | 90.1 | Very high | 80.5 | Confident | 54 Ų | 54 | 77.5 Ų | 77.5 | 37% | 0.365 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | 1.9 | -174.3 | 63.5 | 0 | 0 | 0 | 0 | 114.6 | C39 H41 C75 H80 | C39-C78 WeakPolarHBondContact CB-SG 3.45Å; C39-C78 PolarHBondContact SG-SG 3.11Å; H41-C78 PolarHBondContact ND1-SG 3.18Å; H41-C78 VanDerWaalsContact ND1-SG 3.39Å; C75-C78 PolarHBondContact SG-SG 2.93Å; C78-H80 PolarHBondContact O-N 3.4Å |
| 79 | R | 88.9 | Confident | 82 | Confident | 200 Ų | 200 | 68.5 Ų | 68.5 | 76% | 0.755 | 33% | 0.327 | S | S | * | . | trans | 58.3 | 10.4 | -177.8 | -56.4 | -168.6 | 178.1 | 111.5 | -1.6 | 116 | C75 E81 | C75-R79 WeakPolarHBondContact O-CA 3.46Å; C75-R79 PolarHBondContact O-N 2.93Å; R79-E81 PolarHBondContact O-N 3.32Å | ||
| 80 | H | 88.8 | Confident | 83.3 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 42% | 0.417 | 33% | 0.329 | S | S | . | . | trans | -59.9 | 132.6 | 174.5 | -166.4 | 89.9 | 0 | 0 | 0 | 110.8 | C39 R74 C75 C78 | C39-H80 HydrophobicContact CB-CB 4.04Å; R74-H80 WeakPolarHBondContact CA-O 3.47Å; C75-H80 HydrophobicContact CB-CB 4.5Å; C75-H80 PolarHBondContact N-O 2.99Å; C78-H80 PolarHBondContact O-N 3.4Å | ||
| 81 | E | 87.6 | Confident | 84.1 | Confident | 90 Ų | 90 | 73 Ų | 73 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 125.6 | 177.8 | -175.3 | 173.2 | -82.6 | 0 | 0 | 110.5 | R72 R79 | R72-E81 IonicContact NH1-OE2 2.97Å; R72-E81 PolarHBondContact NH1-OE2 2.87Å; R79-E81 PolarHBondContact O-N 3.32Å |
| 82 | V | 84.5 | Confident | 84.6 | Confident | 7 Ų | 7 | 73.6 Ų | 73.6 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 121.8 | -177.7 | -170.5 | 0 | 0 | 0 | 0 | 108.3 | I36 P38 R72 F73 M84 | I36-V82 HydrophobicContact CG2-CB 4.49Å; I36-V82 HydrophobicContact CG2-CG1 4.27Å; I36-V82 HydrophobicContact CG2-CG2 3.44Å; I36-V82 VanDerWaalsContact CG2-CG2 3.44Å; P38-V82 HydrophobicContact CG-CB 4.45Å; P38-V82 HydrophobicContact CG-CG1 4.07Å; P38-V82 HydrophobicContact CG-CG2 3.9Å; R72-V82 WeakPolarHBondContact CA-O 3.36Å; F73-V82 HydrophobicContact CD1-CB 4.15Å; F73-V82 HydrophobicContact CE1-CB 3.85Å; F73-V82 HydrophobicContact CE1-CG1 3.98Å; F73-V82 HydrophobicContact CE1-CG2 4.33Å; F73-V82 HydrophobicContact CZ-CB 4.29Å; F73-V82 HydrophobicContact CZ-CG2 4.26Å; F73-V82 PolarHBondContact N-O 3.26Å; F73-V82 VanDerWaalsContact N-O 3.08Å; F73-V82 PolarHBondContact O-N 3.01Å; V82-M84 HydrophobicContact CG1-SD 3.68Å |
| 83 | I | 84 | Confident | 84.8 | Confident | 100 Ų | 100 | 73.6 Ų | 73.6 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 123.5 | 171.8 | -53.4 | 173.3 | 0 | 0 | 0 | 107.5 | R72 | R72-I83 HydrophobicContact CG-CG1 4.32Å; R72-I83 VanDerWaalsContact NH1-CD1 3.34Å |
| 84 | M | 78.8 | Confident | 84.9 | Confident | 15 Ų | 15 | 78.2 Ų | 78.2 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | trans | -92.9 | 160.4 | -178.9 | -60.6 | -56.3 | -69.1 | 0 | 0 | 111 | F52 G70 G71 F73 V82 G88 L92 | F52-M84 HydrophobicContact CD2-CG 4.2Å; F52-M84 HydrophobicContact CE2-CB 4.11Å; F52-M84 HydrophobicContact CE2-CG 3.83Å; G70-M84 VanDerWaalsContact CA-O 3.22Å; G70-M84 WeakPolarHBondContact CA-O 3.48Å; G71-M84 VanDerWaalsContact O-CB 3.27Å; G71-M84 WeakPolarHBondContact O-CB 3.41Å; G71-M84 PolarHBondContact O-N 2.79Å; F73-M84 HydrophobicContact CD1-CG 4.03Å; F73-M84 HydrophobicContact CD1-SD 4.23Å; F73-M84 HydrophobicContact CE1-CG 4.09Å; F73-M84 HydrophobicContact CE1-SD 3.68Å; V82-M84 HydrophobicContact CG1-SD 3.68Å; M84-G88 VanDerWaalsContact CE-C 3.42Å; M84-G88 WeakPolarHBondContact CE-O 3.36Å; M84-L92 HydrophobicContact CE-CD1 4.36Å; M84-L92 HydrophobicContact CE-CD2 3.56Å; M84-L92 HydrophobicContact CE-CG 3.61Å; M84-L92 HydrophobicContact SD-CD2 4.07Å | ||
| 85 | D | 74.6 | Confident | 84.9 | Confident | 71 Ų | 71 | 72.1 Ų | 72.1 | 38% | 0.38 | 34% | 0.342 | S | S | . | . | trans | -85.5 | -174.3 | 171.6 | 71.8 | -9.9 | 0 | 0 | 0 | 110.8 | H87 G88 | D85-H87 PolarHBondContact O-N 3.23Å; D85-H87 WeakPolarHBondContact OD1-CA 3.34Å; D85-H87 WeakPolarHBondContact OD1-CB 3.48Å; D85-H87 IonicContact OD1-CG 4Å; D85-H87 PolarHBondContact OD1-N 3.23Å; D85-H87 IonicContact OD1-ND1 3.78Å; D85-H87 IonicContact OD2-CE1 3.78Å; D85-H87 IonicContact OD2-CG 3.72Å; D85-H87 IonicContact OD2-ND1 2.79Å; D85-H87 PolarHBondContact OD2-ND1 3.46Å; D85-G88 PolarHBondContact O-N 3.41Å; D85-G88 PolarHBondContact OD1-N 2.95Å | ||
| 86 | R | 74.8 | Confident | 84.9 | Confident | 201 Ų | 201 | 77.2 Ų | 77.2 | 76% | 0.758 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -18.2 | 175.3 | 65.1 | 177.9 | -178.8 | -101.2 | 0.1 | 114.3 | ||
| 87 | H | 77.3 | Confident | 85 | Confident | 92 Ų | 92 | 80.7 Ų | 80.7 | 43% | 0.426 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -4 | -179.2 | -50 | 104 | 0 | 0 | 0 | 112.5 | D85 V89 Y90 | D85-H87 PolarHBondContact O-N 3.23Å; D85-H87 WeakPolarHBondContact OD1-CA 3.34Å; D85-H87 WeakPolarHBondContact OD1-CB 3.48Å; D85-H87 IonicContact OD1-CG 4Å; D85-H87 PolarHBondContact OD1-N 3.23Å; D85-H87 IonicContact OD1-ND1 3.78Å; D85-H87 IonicContact OD2-CE1 3.78Å; D85-H87 IonicContact OD2-CG 3.72Å; D85-H87 IonicContact OD2-ND1 2.79Å; D85-H87 PolarHBondContact OD2-ND1 3.46Å; H87-V89 PolarHBondContact O-N 2.89Å; H87-Y90 WeakPolarHBondContact O-CB 3.39Å; H87-Y90 PolarHBondContact O-N 2.87Å; H87-Y90 VanDerWaalsContact O-N 3.16Å |
| 88 | G | 82.8 | Confident | 85 | Confident | 4 Ų | 4 | 78.3 Ų | 78.3 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | 53.4 | -139.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M84 D85 Y90 G91 | M84-G88 VanDerWaalsContact CE-C 3.42Å; M84-G88 WeakPolarHBondContact CE-O 3.36Å; D85-G88 PolarHBondContact O-N 3.41Å; D85-G88 PolarHBondContact OD1-N 2.95Å; G88-Y90 PolarHBondContact O-N 3.43Å; G88-G91 PolarHBondContact O-N 3.24Å |
| 89 | V | 83.1 | Confident | 84.9 | Confident | 3 Ų | 3 | 77.9 Ų | 77.9 | 2% | 0.018 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -59 | -21.5 | -179.3 | 177.3 | 0 | 0 | 0 | 0 | 113.9 | A48 N49 F52 H87 G91 L92 | A48-V89 HydrophobicContact CB-CG1 3.8Å; A48-V89 WeakPolarHBondContact O-CG2 3.5Å; N49-V89 HydrophobicContact CB-CG1 4.16Å; F52-V89 HydrophobicContact CB-CG2 3.3Å; F52-V89 HydrophobicContact CD1-CG2 3.92Å; F52-V89 HydrophobicContact CD2-CG2 4.08Å; F52-V89 HydrophobicContact CG-CG2 3.51Å; H87-V89 PolarHBondContact O-N 2.89Å; V89-G91 VanDerWaalsContact C-N 3.26Å; V89-G91 PolarHBondContact O-N 3.47Å; V89-L92 HydrophobicContact CG1-CD1 4.31Å; V89-L92 PolarHBondContact O-N 2.82Å |
| 90 | Y | 83.9 | Confident | 84.8 | Confident | 162 Ų | 162 | 72.5 Ų | 72.5 | 64% | 0.635 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -72.4 | -20.5 | 175.5 | -64.4 | -83.3 | 0 | 0 | 0 | 113.3 | R45 H87 G88 L92 | R45-Y90 PolarHBondContact NH2-O 3.25Å; H87-Y90 WeakPolarHBondContact O-CB 3.39Å; H87-Y90 PolarHBondContact O-N 2.87Å; H87-Y90 VanDerWaalsContact O-N 3.16Å; G88-Y90 PolarHBondContact O-N 3.43Å; Y90-L92 VanDerWaalsContact C-N 3.3Å |
| 91 | G | 81.7 | Confident | 84.9 | Confident | 36 Ų | 36 | 71.6 Ų | 71.6 | 37% | 0.371 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -75.5 | -13.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G88 V89 Q93 | G88-G91 PolarHBondContact O-N 3.24Å; V89-G91 VanDerWaalsContact C-N 3.26Å; V89-G91 PolarHBondContact O-N 3.47Å; G91-Q93 PolarHBondContact O-N 3.41Å |
| 92 | L | 87.8 | Confident | 84.8 | Confident | 14 Ų | 14 | 67.5 Ų | 67.5 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -68.1 | 131.1 | 174.2 | -63 | 177.6 | 0 | 0 | 0 | 110.5 | V34 A48 M84 V89 Y90 | V34-L92 HydrophobicContact CB-CB 3.91Å; V34-L92 HydrophobicContact CB-CD1 4.39Å; V34-L92 HydrophobicContact CG1-CB 4.36Å; V34-L92 HydrophobicContact CG2-CB 4.33Å; V34-L92 HydrophobicContact CG2-CD1 3.9Å; A48-L92 HydrophobicContact CB-CD1 4.27Å; M84-L92 HydrophobicContact CE-CD1 4.36Å; M84-L92 HydrophobicContact CE-CD2 3.56Å; M84-L92 HydrophobicContact CE-CG 3.61Å; M84-L92 HydrophobicContact SD-CD2 4.07Å; V89-L92 HydrophobicContact CG1-CD1 4.31Å; V89-L92 PolarHBondContact O-N 2.82Å; Y90-L92 VanDerWaalsContact C-N 3.3Å |
| 93 | Q | 88.1 | Confident | 84.8 | Confident | 120 Ų | 120 | 70.8 Ų | 70.8 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 140.7 | 178.6 | -68 | -174.2 | -31.5 | 0 | 0 | 110.5 | V34 V35 L37 G91 | V34-Q93 CarbonylContact C-O 3.56Å; V34-Q93 VanDerWaalsContact CA-O 3.3Å; V34-Q93 WeakPolarHBondContact CA-O 3.41Å; V35-Q93 HydrophobicContact CG1-CB 4.02Å; V35-Q93 PolarHBondContact N-O 3.12Å; L37-Q93 HydrophobicContact CD1-CG 4.38Å; G91-Q93 PolarHBondContact O-N 3.41Å |
| 94 | R | 91.1 | Very high | 84.8 | Confident | 102 Ų | 102 | 70.8 Ų | 70.8 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -79.3 | 132.6 | 175.6 | -163.6 | 176.4 | 179.9 | 169.4 | -5.4 | 109.4 | P33 L96 E99 | P33-R94 CarbonylContact O-C 3.58Å; P33-R94 WeakPolarHBondContact O-CA 3.35Å; P33-R94 WeakPolarHBondContact O-CG 3.48Å; R94-L96 HydrophobicContact CG-CD2 4.34Å; R94-L96 PolarHBondContact O-N 3.08Å; R94-E99 IonicContact CZ-OE1 3.56Å; R94-E99 IonicContact CZ-OE2 3.26Å; R94-E99 VanDerWaalsContact CZ-OE2 3.26Å; R94-E99 IonicContact NE-OE1 3.81Å; R94-E99 IonicContact NE-OE2 2.73Å; R94-E99 PolarHBondContact NE-OE2 3.4Å; R94-E99 VanDerWaalsContact NH2-CD 3.3Å; R94-E99 IonicContact NH2-OE1 2.63Å; R94-E99 PolarHBondContact NH2-OE1 3.05Å; R94-E99 IonicContact NH2-OE2 3.1Å; R94-E99 PolarHBondContact NH2-OE2 3.37Å; R94-E99 VanDerWaalsContact NH2-OE2 3.1Å |
| 95 | N | 89.4 | Confident | 85 | Confident | 33 Ų | 33 | 71 Ų | 71 | 18% | 0.176 | 34% | 0.343 | C | S | . | . | trans | -91.4 | 87.9 | 178.8 | -167.4 | -19.3 | 0 | 0 | 0 | 110.6 | P33 V35 N42 L97 V98 E99 | P33-N95 HydrophobicContact CB-CB 4.47Å; P33-N95 WeakPolarHBondContact CG-O 3.5Å; P33-N95 PolarHBondContact O-N 3.45Å; V35-N95 HydrophobicContact CB-CB 4.46Å; N42-N95 WeakPolarHBondContact OD1-CB 3.43Å; N42-N95 PolarHBondContact OD1-ND2 3.09Å; N95-L97 PolarHBondContact O-N 2.75Å; N95-L97 WeakPolarHBondContact OD1-CB 3.46Å; N95-L97 PolarHBondContact OD1-N 2.93Å; N95-V98 HydrophobicContact CB-CB 4.48Å; N95-V98 HydrophobicContact CB-CG2 4.37Å; N95-V98 WeakPolarHBondContact ND2-CG2 3.42Å; N95-V98 PolarHBondContact O-N 2.9Å; N95-V98 PolarHBondContact OD1-N 2.94Å; N95-E99 PolarHBondContact O-N 3.3Å | ||
| 96 | L | 89.8 | Confident | 85.3 | Confident | 107 Ų | 107 | 72.1 Ų | 72.1 | 56% | 0.56 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.9 | -23.4 | -178.2 | -60.7 | 178.5 | 0 | 0 | 0 | 113.2 | R94 E99 N100 | R94-L96 HydrophobicContact CG-CD2 4.34Å; R94-L96 PolarHBondContact O-N 3.08Å; L96-E99 PolarHBondContact O-N 3.03Å; L96-N100 WeakPolarHBondContact O-CB 3.37Å; L96-N100 PolarHBondContact O-N 2.81Å; L96-N100 PolarHBondContact O-ND2 3.1Å; L96-N100 PolarHBondContact O-OD1 3.48Å |
| 97 | L | 89.6 | Confident | 85.4 | Confident | 125 Ų | 125 | 69.3 Ų | 69.3 | 65% | 0.654 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.3 | -46.9 | 177.4 | -64.7 | 173.8 | 0 | 0 | 0 | 111 | N95 E99 N100 I101 | N95-L97 PolarHBondContact O-N 2.75Å; N95-L97 WeakPolarHBondContact OD1-CB 3.46Å; N95-L97 PolarHBondContact OD1-N 2.93Å; L97-E99 VanDerWaalsContact C-N 3.28Å; L97-E99 PolarHBondContact O-N 3.42Å; L97-N100 PolarHBondContact O-N 3.14Å; L97-I101 WeakPolarHBondContact O-CD1 3.3Å; L97-I101 VanDerWaalsContact O-CG1 3.24Å; L97-I101 WeakPolarHBondContact O-CG1 3.06Å; L97-I101 PolarHBondContact O-N 3.28Å |
| 98 | V | 88.8 | Confident | 85.2 | Confident | 19 Ų | 19 | 70 Ų | 70 | 12% | 0.115 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 177 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | F30 P33 N95 I101 I102 | F30-V98 HydrophobicContact CB-CG1 4.32Å; F30-V98 HydrophobicContact CD2-CG1 3.77Å; F30-V98 HydrophobicContact CE2-CG1 4.48Å; F30-V98 HydrophobicContact CG-CG1 4.3Å; P33-V98 HydrophobicContact CB-CB 4.24Å; P33-V98 HydrophobicContact CB-CG1 4.03Å; P33-V98 HydrophobicContact CG-CB 3.88Å; P33-V98 HydrophobicContact CG-CG1 3.87Å; N95-V98 HydrophobicContact CB-CB 4.48Å; N95-V98 HydrophobicContact CB-CG2 4.37Å; N95-V98 WeakPolarHBondContact ND2-CG2 3.42Å; N95-V98 PolarHBondContact O-N 2.9Å; N95-V98 PolarHBondContact OD1-N 2.94Å; V98-I101 PolarHBondContact O-N 3.01Å; V98-I102 HydrophobicContact CG1-CD1 4.01Å; V98-I102 WeakPolarHBondContact O-CD1 3.49Å; V98-I102 VanDerWaalsContact O-CG1 3.25Å; V98-I102 WeakPolarHBondContact O-CG1 3.33Å; V98-I102 PolarHBondContact O-N 3.03Å; V98-I102 VanDerWaalsContact O-N 3.12Å |
| 99 | E | 87.8 | Confident | 84.2 | Confident | 44 Ų | 44 | 72.8 Ų | 72.8 | 21% | 0.206 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 175.3 | -168.2 | 161.1 | -173.4 | 0 | 0 | 111.9 | P33 R94 N95 L96 L97 I101 I102 D103 | P33-E99 HydrophobicContact CG-CB 4.17Å; R94-E99 IonicContact CZ-OE1 3.56Å; R94-E99 IonicContact CZ-OE2 3.26Å; R94-E99 VanDerWaalsContact CZ-OE2 3.26Å; R94-E99 IonicContact NE-OE1 3.81Å; R94-E99 IonicContact NE-OE2 2.73Å; R94-E99 PolarHBondContact NE-OE2 3.4Å; R94-E99 VanDerWaalsContact NH2-CD 3.3Å; R94-E99 IonicContact NH2-OE1 2.63Å; R94-E99 PolarHBondContact NH2-OE1 3.05Å; R94-E99 IonicContact NH2-OE2 3.1Å; R94-E99 PolarHBondContact NH2-OE2 3.37Å; R94-E99 VanDerWaalsContact NH2-OE2 3.1Å; N95-E99 PolarHBondContact O-N 3.3Å; L96-E99 PolarHBondContact O-N 3.03Å; L97-E99 VanDerWaalsContact C-N 3.28Å; L97-E99 PolarHBondContact O-N 3.42Å; E99-I101 PolarHBondContact O-N 3.33Å; E99-I102 PolarHBondContact O-N 3.18Å; E99-D103 PolarHBondContact O-N 3.4Å; E99-D103 VanDerWaalsContact O-N 3.09Å |
| 100 | N | 87.8 | Confident | 83 | Confident | 87 Ų | 87 | 77.4 Ų | 77.4 | 47% | 0.465 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.4 | -37.5 | 177.2 | -68.5 | -19 | 0 | 0 | 0 | 112.8 | L96 L97 D103 I104 | L96-N100 WeakPolarHBondContact O-CB 3.37Å; L96-N100 PolarHBondContact O-N 2.81Å; L96-N100 PolarHBondContact O-ND2 3.1Å; L96-N100 PolarHBondContact O-OD1 3.48Å; L97-N100 PolarHBondContact O-N 3.14Å; N100-D103 PolarHBondContact O-N 3.18Å; N100-I104 VanDerWaalsContact O-CG1 3.31Å; N100-I104 WeakPolarHBondContact O-CG1 3.4Å; N100-I104 PolarHBondContact O-N 3.39Å |
| 101 | I | 89 | Confident | 81.6 | Confident | 72 Ų | 72 | 73.8 Ų | 73.8 | 37% | 0.369 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 177.6 | -67.1 | 162.9 | 0 | 0 | 0 | 110.7 | L21 L97 V98 E99 D103 I104 Y105 | L21-I101 HydrophobicContact CD1-CG2 3.99Å; L21-I101 HydrophobicContact CD2-CB 4.39Å; L21-I101 HydrophobicContact CD2-CG2 3.77Å; L21-I101 HydrophobicContact CG-CG2 4.47Å; L97-I101 WeakPolarHBondContact O-CD1 3.3Å; L97-I101 VanDerWaalsContact O-CG1 3.24Å; L97-I101 WeakPolarHBondContact O-CG1 3.06Å; L97-I101 PolarHBondContact O-N 3.28Å; V98-I101 PolarHBondContact O-N 3.01Å; E99-I101 PolarHBondContact O-N 3.33Å; I101-D103 VanDerWaalsContact C-N 3.32Å; I101-D103 PolarHBondContact O-N 3.03Å; I101-I104 PolarHBondContact O-N 2.87Å; I101-Y105 WeakPolarHBondContact O-CB 3.29Å; I101-Y105 PolarHBondContact O-N 3.27Å |
| 102 | I | 86.3 | Confident | 80.2 | Confident | 4 Ų | 4 | 81 Ų | 81 | 2% | 0.021 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 176.7 | -68 | 167.8 | 0 | 0 | 0 | 110.9 | L21 F30 V98 E99 Y105 K106 | L21-I102 HydrophobicContact CB-CG1 4.15Å; L21-I102 HydrophobicContact CD1-CG1 4.07Å; L21-I102 HydrophobicContact CD2-CG1 3.98Å; L21-I102 HydrophobicContact CG-CG1 4.28Å; F30-I102 HydrophobicContact CB-CD1 3.64Å; F30-I102 HydrophobicContact CD2-CD1 4.47Å; F30-I102 VanDerWaalsContact O-CD1 3.28Å; F30-I102 WeakPolarHBondContact O-CD1 3.46Å; V98-I102 HydrophobicContact CG1-CD1 4.01Å; V98-I102 WeakPolarHBondContact O-CD1 3.49Å; V98-I102 VanDerWaalsContact O-CG1 3.25Å; V98-I102 WeakPolarHBondContact O-CG1 3.33Å; V98-I102 PolarHBondContact O-N 3.03Å; V98-I102 VanDerWaalsContact O-N 3.12Å; E99-I102 PolarHBondContact O-N 3.18Å; I102-Y105 PolarHBondContact O-N 3.07Å; I102-K106 HydrophobicContact CG2-CD 3.95Å; I102-K106 HydrophobicContact CG2-CG 4.4Å; I102-K106 WeakPolarHBondContact O-CB 3.5Å; I102-K106 VanDerWaalsContact O-CG 3.28Å; I102-K106 WeakPolarHBondContact O-CG 3.46Å; I102-K106 PolarHBondContact O-N 3.48Å |
| 103 | D | 85.3 | Confident | 78.1 | Confident | 75 Ų | 75 | 85.9 Ų | 85.9 | 40% | 0.401 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 177.6 | -71.9 | -19.6 | 0 | 0 | 0 | 111.9 | E99 N100 I101 K106 Q107 | E99-D103 PolarHBondContact O-N 3.4Å; E99-D103 VanDerWaalsContact O-N 3.09Å; N100-D103 PolarHBondContact O-N 3.18Å; I101-D103 VanDerWaalsContact C-N 3.32Å; I101-D103 PolarHBondContact O-N 3.03Å; D103-K106 PolarHBondContact O-N 3.06Å; D103-Q107 WeakPolarHBondContact O-CB 3.47Å; D103-Q107 VanDerWaalsContact O-CG 3.27Å; D103-Q107 WeakPolarHBondContact O-CG 3.38Å; D103-Q107 PolarHBondContact O-N 2.66Å |
| 104 | I | 84.3 | Confident | 76.3 | Confident | 101 Ų | 101 | 88.5 Ų | 88.5 | 52% | 0.518 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 173.9 | -66 | 164.8 | 0 | 0 | 0 | 110.4 | N100 I101 K106 Q107 E108 | N100-I104 VanDerWaalsContact O-CG1 3.31Å; N100-I104 WeakPolarHBondContact O-CG1 3.4Å; N100-I104 PolarHBondContact O-N 3.39Å; I101-I104 PolarHBondContact O-N 2.87Å; I104-K106 PolarHBondContact O-N 2.91Å; I104-Q107 PolarHBondContact O-N 3.29Å; I104-E108 PolarHBondContact O-N 3.23Å |
| 105 | Y | 82.4 | Confident | 74.2 | Confident | 18 Ų | 18 | 92.6 Ų | 92.6 | 7% | 0.071 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -58.5 | -46.1 | 177.9 | 179.2 | -94.9 | 0 | 0 | 0 | 112 | L17 E18 L21 M29 I101 I102 Q107 E108 C109 | L17-Y105 HydrophobicContact CD2-CD2 4.28Å; E18-Y105 HydrophobicContact CB-CE2 4.36Å; E18-Y105 PolarHBondContact OE1-OH 3.43Å; E18-Y105 PolarHBondContact OE2-OH 3.41Å; L21-Y105 HydrophobicContact CD1-CG 4.26Å; M29-Y105 HydrophobicContact CE-CD1 3.9Å; M29-Y105 HydrophobicContact CE-CE1 3.37Å; M29-Y105 HydrophobicContact SD-CD1 4.37Å; M29-Y105 HydrophobicContact SD-CE1 4.41Å; I101-Y105 WeakPolarHBondContact O-CB 3.29Å; I101-Y105 PolarHBondContact O-N 3.27Å; I102-Y105 PolarHBondContact O-N 3.07Å; Y105-Q107 VanDerWaalsContact C-N 3.32Å; Y105-Q107 PolarHBondContact O-N 3.05Å; Y105-E108 PolarHBondContact O-N 3.42Å; Y105-C109 VanDerWaalsContact CE1-SG 3.57Å; Y105-C109 VanDerWaalsContact CZ-SG 3.56Å; Y105-C109 PolarHBondContact O-N 3.43Å; Y105-C109 PolarHBondContact O-SG 3.07Å |
| 106 | K | 80.2 | Confident | 72 | Confident | 96 Ų | 96 | 101 Ų | 101 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 177.8 | -76.4 | 174.4 | 178.7 | 174 | 0 | 112.6 | I102 D103 I104 S110 | I102-K106 HydrophobicContact CG2-CD 3.95Å; I102-K106 HydrophobicContact CG2-CG 4.4Å; I102-K106 WeakPolarHBondContact O-CB 3.5Å; I102-K106 VanDerWaalsContact O-CG 3.28Å; I102-K106 WeakPolarHBondContact O-CG 3.46Å; I102-K106 PolarHBondContact O-N 3.48Å; D103-K106 PolarHBondContact O-N 3.06Å; I104-K106 PolarHBondContact O-N 2.91Å; K106-S110 VanDerWaalsContact O-CB 3.29Å; K106-S110 WeakPolarHBondContact O-CB 3.32Å; K106-S110 PolarHBondContact O-N 3.44Å; K106-S110 PolarHBondContact O-OG 2.71Å |
| 107 | Q | 77.7 | Confident | 69.9 | Low | 141 Ų | 141 | 99 Ų | 99 | 66% | 0.659 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.9 | -38.4 | 175.5 | -74.5 | 174.5 | 14.4 | 0 | 0 | 111.7 | D103 I104 Y105 S110 S111 | D103-Q107 WeakPolarHBondContact O-CB 3.47Å; D103-Q107 VanDerWaalsContact O-CG 3.27Å; D103-Q107 WeakPolarHBondContact O-CG 3.38Å; D103-Q107 PolarHBondContact O-N 2.66Å; I104-Q107 PolarHBondContact O-N 3.29Å; Y105-Q107 VanDerWaalsContact C-N 3.32Å; Y105-Q107 PolarHBondContact O-N 3.05Å; Q107-S110 PolarHBondContact O-N 2.93Å; Q107-S111 WeakPolarHBondContact O-CB 3.22Å; Q107-S111 PolarHBondContact O-N 2.93Å; Q107-S111 VanDerWaalsContact O-N 3.07Å; Q107-S111 PolarHBondContact O-OG 3.19Å |
| 108 | E | 71.6 | Confident | 68.1 | Low | 106 Ų | 106 | 98.5 Ų | 98.5 | 50% | 0.495 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -74.9 | -29.5 | 179.5 | -151.1 | 172.1 | 169 | 0 | 0 | 113.1 | M14 I104 Y105 S111 | M14-E108 HydrophobicContact CE-CB 4.37Å; M14-E108 HydrophobicContact CE-CG 3.88Å; M14-E108 WeakPolarHBondContact CE-OE1 3.3Å; M14-E108 VanDerWaalsContact CE-OE2 3.22Å; M14-E108 WeakPolarHBondContact CE-OE2 3.34Å; I104-E108 PolarHBondContact O-N 3.23Å; Y105-E108 PolarHBondContact O-N 3.42Å; E108-S111 PolarHBondContact O-OG 3.16Å |
| 109 | C | 63 | Low | 66.8 | Low | 64 Ų | 64 | 103.7 Ų | 103.7 | 43% | 0.432 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -73.4 | -34.2 | 168.7 | -69.2 | 0 | 0 | 0 | 0 | 112.7 | Y105 | Y105-C109 VanDerWaalsContact CE1-SG 3.57Å; Y105-C109 VanDerWaalsContact CZ-SG 3.56Å; Y105-C109 PolarHBondContact O-N 3.43Å; Y105-C109 PolarHBondContact O-SG 3.07Å |
| 110 | S | 57.9 | Low | 66.2 | Low | 100 Ų | 100 | 105.5 Ų | 105.5 | 70% | 0.699 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -79.2 | -18.1 | -179.3 | -58 | 0 | 0 | 0 | 0 | 113.6 | K106 Q107 R112 | K106-S110 VanDerWaalsContact O-CB 3.29Å; K106-S110 WeakPolarHBondContact O-CB 3.32Å; K106-S110 PolarHBondContact O-N 3.44Å; K106-S110 PolarHBondContact O-OG 2.71Å; Q107-S110 PolarHBondContact O-N 2.93Å; S110-R112 VanDerWaalsContact C-N 3.29Å; S110-R112 PolarHBondContact O-N 2.93Å |
| 111 | S | 53.4 | Low | 65.9 | Low | 86 Ų | 86 | 105.1 Ų | 105.1 | 60% | 0.601 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -0.6 | 177.7 | 61.1 | 0 | 0 | 0 | 0 | 113.8 | Q107 E108 P113 | Q107-S111 WeakPolarHBondContact O-CB 3.22Å; Q107-S111 PolarHBondContact O-N 2.93Å; Q107-S111 VanDerWaalsContact O-N 3.07Å; Q107-S111 PolarHBondContact O-OG 3.19Å; E108-S111 PolarHBondContact O-OG 3.16Å; S111-P113 WeakPolarHBondContact O-CD 3.46Å |
| 112 | R | 52.3 | Low | 65.5 | Low | 187 Ų | 187 | 102.4 Ų | 102.4 | 71% | 0.706 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -80.3 | 116.7 | 166.9 | -77 | -175.1 | 175.3 | -164.8 | -0.8 | 110.1 | S110 L114 | S110-R112 VanDerWaalsContact C-N 3.29Å; S110-R112 PolarHBondContact O-N 2.93Å; R112-L114 PolarHBondContact O-N 3.34Å |
| 113 | P | 45.3 | Very low | 65.2 | Low | 116 Ų | 116 | 111.4 Ų | 111.4 | 75% | 0.753 | 59% | 0.59 | S | S | * | * | trans | -63.5 | 124.9 | 169.1 | 24.8 | -29.7 | 0 | 0 | 0 | 109.3 | S111 Q115 | S111-P113 WeakPolarHBondContact O-CD 3.46Å; P113-Q115 PolarHBondContact O-N 3.41Å | ||
| 114 | L | 48.8 | Very low | 64.9 | Low | 175 Ų | 175 | 115.3 Ų | 115.3 | 92% | 0.916 | 61% | 0.605 | S | S | * | * | trans | -58.5 | 107.6 | 173.4 | -70.7 | 99.3 | 0 | 0 | 0 | 109.7 | R112 K116 | R112-L114 PolarHBondContact O-N 3.34Å; L114-K116 PolarHBondContact O-N 3.49Å | ||
| 115 | Q | 47.1 | Very low | 64.7 | Low | 189 Ų | 189 | 113 Ų | 113 | 88% | 0.883 | 59% | 0.592 | S | S | * | * | trans | -66 | 112.3 | 167.9 | -83.1 | -174.5 | -23.5 | 0 | 0 | 109.3 | P113 | P113-Q115 PolarHBondContact O-N 3.41Š| ||
| 116 | K | 43.2 | Very low | 64.3 | Low | 209 Ų | 209 | 119.8 Ų | 119.8 | 91% | 0.909 | 63% | 0.625 | S | S | * | * | trans | -58.8 | 135.1 | 158.5 | -91 | 177 | 173.7 | 177 | 0 | 108.5 | L114 | L114-K116 PolarHBondContact O-N 3.49Š| ||
| 117 | G | 45.5 | Very low | 64.1 | Low | 64 Ų | 64 | 122.6 Ų | 122.6 | 66% | 0.66 | 64% | 0.644 | S | S | * | * | trans | -49.2 | 133.2 | -162.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | H119 | G117-H119 PolarHBondContact O-N 2.97Š| ||
| 118 | S | 52.4 | Low | 64.1 | Low | 115 Ų | 115 | 119 Ų | 119 | 80% | 0.804 | 63% | 0.627 | S | S | * | * | trans | -64 | 110.8 | 159.8 | 167.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 119 | H | 62.2 | Low | 64.7 | Low | 129 Ų | 129 | 119.8 Ų | 119.8 | 60% | 0.597 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 130.7 | 169.8 | -69.8 | -78.5 | 0 | 0 | 0 | 109.3 | G117 M121 | G117-H119 PolarHBondContact O-N 2.97Å; H119-M121 PolarHBondContact O-N 3.16Å |
| 120 | P | 74.2 | Confident | 65.8 | Low | 81 Ų | 81 | 118.5 Ų | 118.5 | 53% | 0.526 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -66.6 | 130.1 | 179 | 27.3 | -33 | 0 | 0 | 0 | 110.1 | I130 | P120-I130 HydrophobicContact CB-CD1 4.13Å; P120-I130 HydrophobicContact CG-CB 4.5Å; P120-I130 HydrophobicContact CG-CD1 4.38Å; P120-I130 WeakPolarHBondContact O-CB 3.44Å; P120-I130 WeakPolarHBondContact O-CG1 3.36Å; P120-I130 PolarHBondContact O-N 2.87Å |
| 121 | M | 81.9 | Confident | 66.9 | Low | 80 Ų | 80 | 117.4 Ų | 117.4 | 39% | 0.394 | 60% | 0.604 | S | S | . | * | B | Isolated β-bridge | trans | -89.3 | 153.7 | 176.6 | -58 | -58.1 | -71.3 | 0 | 0 | 110.3 | H119 E126 D127 E128 K129 | H119-M121 PolarHBondContact O-N 3.16Å; M121-E126 WeakPolarHBondContact CE-O 3.45Å; M121-D127 WeakPolarHBondContact CE-O 3.32Å; M121-E128 VanDerWaalsContact CE-C 3.49Å; M121-K129 HydrophobicContact CE-CG 4.08Å; M121-K129 HydrophobicContact SD-CB 4.43Å; M121-K129 HydrophobicContact SD-CG 3.64Å |
| 122 | C | 81.4 | Confident | 68.4 | Low | 14 Ų | 14 | 114.6 Ų | 114.6 | 10% | 0.095 | 58% | 0.582 | C | S | . | * | P | Polyproline II helix | trans | -70.1 | 136.4 | 177.5 | -174.7 | 0 | 0 | 0 | 0 | 111 | E124 H125 E128 I130 C142 C145 | C122-E124 VanDerWaalsContact C-N 3.3Å; C122-E124 PolarHBondContact O-N 2.84Å; C122-H125 HydrophobicContact CB-CB 4.09Å; C122-H125 WeakPolarHBondContact CB-O 3.49Å; C122-H125 CarbonylContact O-C 3.19Å; C122-H125 VanDerWaalsContact O-C 3.28Å; C122-H125 PolarHBondContact O-N 3.22Å; C122-E128 PolarHBondContact N-O 3.48Å; C122-I130 HydrophobicContact CB-CG1 4.49Å; C122-C142 HydrophobicContact CB-CB 3.85Å; C122-C145 VanDerWaalsContact SG-SG 3.63Å |
| 123 | K | 80.1 | Confident | 70.2 | Confident | 194 Ų | 194 | 107 Ų | 107 | 84% | 0.843 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -66.7 | -30.8 | 179.4 | -63.8 | -178.7 | -179.7 | 178.1 | 0 | 113.5 | ||
| 124 | E | 78.6 | Confident | 72.4 | Confident | 156 Ų | 156 | 101.5 Ų | 101.5 | 73% | 0.729 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -91.8 | -18.7 | 179.9 | -58.5 | -60.2 | 131.3 | 0 | 0 | 112.3 | C122 | C122-E124 VanDerWaalsContact C-N 3.3Å; C122-E124 PolarHBondContact O-N 2.84Å |
| 125 | H | 78.8 | Confident | 74.3 | Confident | 52 Ų | 52 | 96.6 Ų | 96.6 | 24% | 0.241 | 49% | 0.492 | C | S | . | . | trans | -136.2 | 85.1 | -176.6 | -55 | 98.4 | 0 | 0 | 0 | 108.6 | C122 D127 E128 M144 C145 | C122-H125 HydrophobicContact CB-CB 4.09Å; C122-H125 WeakPolarHBondContact CB-O 3.49Å; C122-H125 CarbonylContact O-C 3.19Å; C122-H125 VanDerWaalsContact O-C 3.28Å; C122-H125 PolarHBondContact O-N 3.22Å; H125-D127 PolarHBondContact O-N 3.19Å; H125-D127 VanDerWaalsContact O-N 3.15Å; H125-E128 HydrophobicContact CB-CB 3.85Å; H125-E128 HydrophobicContact CB-CG 4.05Å; H125-E128 PolarHBondContact O-N 3.24Å; H125-M144 HydrophobicContact CB-CB 4.41Å; H125-C145 PolarHBondContact CE1-SG 3.37Å; H125-C145 PolarHBondContact ND1-SG 3.09Å | ||
| 126 | E | 74.1 | Confident | 76.3 | Confident | 162 Ų | 162 | 91.9 Ų | 91.9 | 76% | 0.757 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -27.1 | -169.5 | -61.7 | -177.4 | 173 | 0 | 0 | 113.6 | M121 | M121-E126 WeakPolarHBondContact CE-O 3.45Š|
| 127 | D | 77.6 | Confident | 78.5 | Confident | 154 Ų | 154 | 84.6 Ų | 84.6 | 82% | 0.824 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -8.3 | 177.9 | -65.4 | -44.7 | 0 | 0 | 0 | 114 | M121 H125 | M121-D127 WeakPolarHBondContact CE-O 3.32Å; H125-D127 PolarHBondContact O-N 3.19Å; H125-D127 VanDerWaalsContact O-N 3.15Å |
| 128 | E | 77.8 | Confident | 80.5 | Confident | 66 Ų | 66 | 88.7 Ų | 88.7 | 31% | 0.308 | 45% | 0.453 | S | S | . | . | trans | -104.4 | 129.1 | -174 | -73.4 | -72.6 | 145.3 | 0 | 0 | 112.7 | M121 C122 H125 C142 M144 | M121-E128 VanDerWaalsContact CE-C 3.49Å; C122-E128 PolarHBondContact N-O 3.48Å; H125-E128 HydrophobicContact CB-CB 3.85Å; H125-E128 HydrophobicContact CB-CG 4.05Å; H125-E128 PolarHBondContact O-N 3.24Å; E128-C142 HydrophobicContact CB-CB 3.95Å; E128-M144 HydrophobicContact CG-CB 4.27Å; E128-M144 HydrophobicContact CG-CG 3.57Å | ||
| 129 | K | 83.4 | Confident | 82.3 | Confident | 122 Ų | 122 | 86.1 Ų | 86.1 | 53% | 0.53 | 43% | 0.432 | S | S | . | . | B | Isolated β-bridge | trans | -76.4 | 143 | 176.1 | -67.1 | 176.9 | -177.3 | 177.8 | 0 | 110.7 | M121 N131 C142 | M121-K129 HydrophobicContact CE-CG 4.08Å; M121-K129 HydrophobicContact SD-CB 4.43Å; M121-K129 HydrophobicContact SD-CG 3.64Å; K129-N131 PolarHBondContact O-N 3.36Å; K129-N131 PolarHBondContact O-OD1 3.4Å; K129-C142 WeakPolarHBondContact O-CB 3.31Å |
| 130 | I | 85 | Confident | 83.6 | Confident | 38 Ų | 38 | 83.5 Ų | 83.5 | 20% | 0.195 | 43% | 0.427 | C | S | . | . | trans | -72.7 | 113.5 | 169.8 | -62.2 | -179.5 | 0 | 0 | 0 | 108.7 | P120 C122 P140 L159 | P120-I130 HydrophobicContact CB-CD1 4.13Å; P120-I130 HydrophobicContact CG-CB 4.5Å; P120-I130 HydrophobicContact CG-CD1 4.38Å; P120-I130 WeakPolarHBondContact O-CB 3.44Å; P120-I130 WeakPolarHBondContact O-CG1 3.36Å; P120-I130 PolarHBondContact O-N 2.87Å; C122-I130 HydrophobicContact CB-CG1 4.49Å; I130-P140 HydrophobicContact CG2-CB 3.69Å; I130-L159 HydrophobicContact CG2-CD2 4.2Å | ||
| 131 | N | 81.9 | Confident | 84.2 | Confident | 77 Ų | 77 | 80 Ų | 80 | 41% | 0.412 | 40% | 0.404 | S | S | . | . | trans | -139.1 | -2.8 | -173.7 | 65 | -17.8 | 0 | 0 | 0 | 113.7 | K129 T141 S143 L159 | K129-N131 PolarHBondContact O-N 3.36Å; K129-N131 PolarHBondContact O-OD1 3.4Å; N131-T141 PolarHBondContact N-O 3.35Å; N131-S143 PolarHBondContact ND2-OG 2.95Å; N131-S143 PolarHBondContact OD1-OG 2.96Å; N131-L159 WeakPolarHBondContact O-CB 3.36Å; N131-L159 PolarHBondContact O-N 2.82Å; N131-L159 VanDerWaalsContact O-N 3.08Å | ||
| 132 | I | 85.6 | Confident | 84.5 | Confident | 26 Ų | 26 | 76.1 Ų | 76.1 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 147.3 | -177.4 | -66.4 | 166.9 | 0 | 0 | 0 | 108.6 | T141 V156 | I132-T141 HydrophobicContact CB-CG2 4.04Å; I132-T141 HydrophobicContact CG2-CG2 3.84Å; I132-T141 PolarHBondContact N-O 3.49Å; I132-T141 VanDerWaalsContact N-O 3.08Å; I132-T141 PolarHBondContact O-N 2.9Å; I132-V156 HydrophobicContact CG2-CB 3.53Å; I132-V156 HydrophobicContact CG2-CG1 3.98Å; I132-V156 HydrophobicContact CG2-CG2 3.97Å |
| 133 | Y | 89.3 | Confident | 84.8 | Confident | 28 Ų | 28 | 77.2 Ų | 77.2 | 11% | 0.11 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129 | 170.1 | -170.6 | -96.3 | 0 | 0 | 0 | 109.7 | L135 E138 P140 V156 A157 L159 V162 | Y133-L135 HydrophobicContact CD1-CD2 3.94Å; Y133-L135 HydrophobicContact CE1-CD2 4.19Å; Y133-E138 VanDerWaalsContact CZ-C 3.46Å; Y133-E138 VanDerWaalsContact OH-CA 3.27Å; Y133-E138 WeakPolarHBondContact OH-CA 3.21Å; Y133-E138 PolarHBondContact OH-O 2.89Å; Y133-P140 HydrophobicContact CD2-CB 4.26Å; Y133-V156 CarbonylContact O-C 3.55Å; Y133-V156 VanDerWaalsContact O-CA 3.28Å; Y133-V156 WeakPolarHBondContact O-CA 3.5Å; Y133-A157 PolarHBondContact N-O 3.49Å; Y133-A157 PolarHBondContact O-N 3.22Å; Y133-L159 HydrophobicContact CD2-CD1 4.15Å; Y133-V162 HydrophobicContact CD1-CB 4.23Å; Y133-V162 HydrophobicContact CD1-CG1 3.7Å; Y133-V162 HydrophobicContact CD1-CG2 4.04Å; Y133-V162 HydrophobicContact CD2-CG1 4.49Å; Y133-V162 HydrophobicContact CE1-CG1 3.93Å; Y133-V162 HydrophobicContact CG-CB 4.22Å; Y133-V162 HydrophobicContact CG-CG1 3.97Å; Y133-V162 HydrophobicContact CG-CG2 4.27Å |
| 134 | C | 90.8 | Very high | 85 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 111.9 | 176.3 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | C137 E138 V139 T141 H151 C154 V156 | C134-C137 HydrophobicContact CB-CB 4.27Å; C134-E138 VanDerWaalsContact O-CA 3.3Å; C134-E138 WeakPolarHBondContact O-CA 3.43Å; C134-E138 PolarHBondContact O-N 3.49Å; C134-V139 HydrophobicContact CB-CG2 4.38Å; C134-V139 WeakPolarHBondContact CB-O 3.47Å; C134-V139 PolarHBondContact N-O 2.65Å; C134-V139 PolarHBondContact O-N 2.86Å; C134-T141 HydrophobicContact CB-CG2 4.17Å; C134-H151 PolarHBondContact SG-ND1 2.9Å; C134-H151 VanDerWaalsContact SG-ND1 3.45Å; C134-C154 WeakPolarHBondContact SG-CB 3.38Å; C134-V156 HydrophobicContact CB-CG1 4.38Å |
| 135 | L | 89.2 | Confident | 85.3 | Confident | 72 Ų | 72 | 64 Ų | 64 | 38% | 0.377 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -35.6 | -179.4 | -65.6 | 172.4 | 0 | 0 | 0 | 111.3 | Y133 C137 E155 A157 V162 | Y133-L135 HydrophobicContact CD1-CD2 3.94Å; Y133-L135 HydrophobicContact CE1-CD2 4.19Å; L135-C137 VanDerWaalsContact C-N 3.3Å; L135-C137 PolarHBondContact O-N 3.33Å; L135-E155 HydrophobicContact CD1-CG 4.22Å; L135-E155 PolarHBondContact N-O 3.35Å; L135-A157 HydrophobicContact CD1-CB 4.1Å; L135-A157 HydrophobicContact CG-CB 4.33Å; L135-V162 HydrophobicContact CD2-CG2 4.28Å |
| 136 | T | 89.2 | Confident | 85.6 | Confident | 91 Ų | 91 | 64.1 Ų | 64.1 | 56% | 0.558 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -27.7 | 179.8 | -46 | 0 | 0 | 0 | 0 | 113.2 | E155 | T136-E155 PolarHBondContact OG1-N 2.95Š|
| 137 | C | 88.6 | Confident | 86 | Confident | 56 Ų | 56 | 60.1 Ų | 60.1 | 38% | 0.378 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -1 | -176.9 | -57.6 | 0 | 0 | 0 | 0 | 113.1 | C134 L135 V139 H151 | C134-C137 HydrophobicContact CB-CB 4.27Å; L135-C137 VanDerWaalsContact C-N 3.3Å; L135-C137 PolarHBondContact O-N 3.33Å; C137-V139 HydrophobicContact CB-CG2 3.74Å; C137-V139 WeakPolarHBondContact O-CG1 3.39Å; C137-V139 PolarHBondContact O-N 3.1Å; C137-V139 VanDerWaalsContact O-N 3.14Å; C137-H151 VanDerWaalsContact SG-CE1 3.53Å; C137-H151 PolarHBondContact SG-ND1 2.9Å |
| 138 | E | 89.2 | Confident | 86.2 | Confident | 149 Ų | 149 | 60 Ų | 60 | 70% | 0.696 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 32.5 | -178 | -59.3 | -175.2 | 155 | 0 | 0 | 114.8 | Y133 C134 | Y133-E138 VanDerWaalsContact CZ-C 3.46Å; Y133-E138 VanDerWaalsContact OH-CA 3.27Å; Y133-E138 WeakPolarHBondContact OH-CA 3.21Å; Y133-E138 PolarHBondContact OH-O 2.89Å; C134-E138 VanDerWaalsContact O-CA 3.3Å; C134-E138 WeakPolarHBondContact O-CA 3.43Å; C134-E138 PolarHBondContact O-N 3.49Å |
| 139 | V | 88.6 | Confident | 86.5 | Confident | 62 Ų | 62 | 58.1 Ų | 58.1 | 38% | 0.376 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 144.4 | -177.2 | -68.6 | 0 | 0 | 0 | 0 | 112.6 | C134 C137 | C134-V139 HydrophobicContact CB-CG2 4.38Å; C134-V139 WeakPolarHBondContact CB-O 3.47Å; C134-V139 PolarHBondContact N-O 2.65Å; C134-V139 PolarHBondContact O-N 2.86Å; C137-V139 HydrophobicContact CB-CG2 3.74Å; C137-V139 WeakPolarHBondContact O-CG1 3.39Å; C137-V139 PolarHBondContact O-N 3.1Å; C137-V139 VanDerWaalsContact O-N 3.14Å |
| 140 | P | 89.4 | Confident | 86.5 | Confident | 73 Ų | 73 | 58.3 Ų | 58.3 | 47% | 0.474 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 137 | 172.7 | 34 | -36.2 | 0 | 0 | 0 | 110.6 | I130 Y133 L159 | I130-P140 HydrophobicContact CG2-CB 3.69Å; Y133-P140 HydrophobicContact CD2-CB 4.26Å; P140-L159 HydrophobicContact CB-CD1 3.97Å |
| 141 | T | 88.4 | Confident | 86.5 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.043 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 171.5 | -173 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | N131 I132 C134 C145 | N131-T141 PolarHBondContact N-O 3.35Å; I132-T141 HydrophobicContact CB-CG2 4.04Å; I132-T141 HydrophobicContact CG2-CG2 3.84Å; I132-T141 PolarHBondContact N-O 3.49Å; I132-T141 VanDerWaalsContact N-O 3.08Å; I132-T141 PolarHBondContact O-N 2.9Å; C134-T141 HydrophobicContact CB-CG2 4.17Å; T141-C145 WeakPolarHBondContact OG1-CB 3.48Å |
| 142 | C | 88.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | -105 | 169 | 173.7 | 75.2 | 0 | 0 | 0 | 0 | 112.7 | C122 E128 K129 M144 C145 K146 | C122-C142 HydrophobicContact CB-CB 3.85Å; E128-C142 HydrophobicContact CB-CB 3.95Å; K129-C142 WeakPolarHBondContact O-CB 3.31Å; C142-M144 VanDerWaalsContact C-N 3.33Å; C142-M144 PolarHBondContact O-N 3.39Å; C142-C145 PolarHBondContact O-N 3.32Å; C142-C145 VanDerWaalsContact SG-SG 3.68Å; C142-K146 PolarHBondContact O-N 3.33Å | ||
| 143 | S | 86.7 | Confident | 86.8 | Confident | 37 Ų | 37 | 64.9 Ų | 64.9 | 26% | 0.259 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.3 | -40.7 | 179.6 | -44.6 | 0 | 0 | 0 | 0 | 113 | N131 K146 V147 | N131-S143 PolarHBondContact ND2-OG 2.95Å; N131-S143 PolarHBondContact OD1-OG 2.96Å; S143-K146 PolarHBondContact O-N 2.92Å; S143-K146 VanDerWaalsContact O-N 3.16Å; S143-V147 WeakPolarHBondContact O-CG2 3.27Å; S143-V147 PolarHBondContact O-N 3.4Å |
| 144 | M | 85.5 | Confident | 86.8 | Confident | 63 Ų | 63 | 64.4 Ų | 64.4 | 31% | 0.31 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68 | -39 | -178.7 | -69.1 | -59.8 | -70.8 | 0 | 0 | 112.5 | H125 E128 C142 K146 V147 F148 G149 | H125-M144 HydrophobicContact CB-CB 4.41Å; E128-M144 HydrophobicContact CG-CB 4.27Å; E128-M144 HydrophobicContact CG-CG 3.57Å; C142-M144 VanDerWaalsContact C-N 3.33Å; C142-M144 PolarHBondContact O-N 3.39Å; M144-K146 PolarHBondContact O-N 3.44Å; M144-V147 PolarHBondContact O-N 3.07Å; M144-F148 HydrophobicContact CE-CD2 3.59Å; M144-F148 HydrophobicContact CE-CE2 4.02Å; M144-F148 PolarHBondContact O-N 3.48Å; M144-F148 HydrophobicContact SD-CD2 3.96Å; M144-F148 HydrophobicContact SD-CE2 4.16Å; M144-G149 PolarHBondContact O-N 3.43Å; M144-G149 VanDerWaalsContact O-N 3.1Å |
| 145 | C | 84.1 | Confident | 86.7 | Confident | 10 Ų | 10 | 71 Ų | 71 | 7% | 0.068 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.4 | -30.7 | 172.4 | -77.3 | 0 | 0 | 0 | 0 | 113.1 | C122 H125 T141 C142 G149 H151 | C122-C145 VanDerWaalsContact SG-SG 3.63Å; H125-C145 PolarHBondContact CE1-SG 3.37Å; H125-C145 PolarHBondContact ND1-SG 3.09Å; T141-C145 WeakPolarHBondContact OG1-CB 3.48Å; C142-C145 PolarHBondContact O-N 3.32Å; C142-C145 VanDerWaalsContact SG-SG 3.68Å; C145-G149 CarbonylContact O-C 3.28Å; C145-G149 VanDerWaalsContact O-CA 3.25Å; C145-G149 WeakPolarHBondContact O-CA 3.44Å; C145-G149 PolarHBondContact O-N 2.99Å; C145-H151 PolarHBondContact O-N 3.14Å; C145-H151 VanDerWaalsContact O-N 3.16Å |
| 146 | K | 85.1 | Confident | 86.7 | Confident | 53 Ų | 53 | 69.7 Ų | 69.7 | 23% | 0.23 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -79.3 | -43 | 175.6 | 173.3 | 55.9 | -180 | 169.4 | 0 | 112.5 | C142 S143 M144 H151 K152 C154 V156 | C142-K146 PolarHBondContact O-N 3.33Å; S143-K146 PolarHBondContact O-N 2.92Å; S143-K146 VanDerWaalsContact O-N 3.16Å; M144-K146 PolarHBondContact O-N 3.44Å; K146-H151 VanDerWaalsContact CD-O 3.31Å; K146-H151 WeakPolarHBondContact CD-O 3.41Å; K146-K152 PolarHBondContact NZ-O 3.19Å; K146-K152 VanDerWaalsContact O-CA 3.24Å; K146-K152 WeakPolarHBondContact O-CA 3.37Å; K146-C154 PolarHBondContact NZ-O 3.4Å; K146-V156 HydrophobicContact CD-CG1 3.72Å; K146-V156 HydrophobicContact CD-CG2 3.91Å; K146-V156 HydrophobicContact CG-CG1 4.37Å; K146-V156 HydrophobicContact CG-CG2 4.12Å |
| 147 | V | 83.5 | Confident | 86.7 | Confident | 79 Ų | 79 | 66.3 Ų | 66.3 | 48% | 0.479 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -81.3 | -41.1 | -173.2 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | S143 M144 | S143-V147 WeakPolarHBondContact O-CG2 3.27Å; S143-V147 PolarHBondContact O-N 3.4Å; M144-V147 PolarHBondContact O-N 3.07Å |
| 148 | F | 81.6 | Confident | 86.6 | Confident | 152 Ų | 152 | 67.7 Ų | 67.7 | 67% | 0.667 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.8 | -16.8 | -172.5 | -57.5 | -74 | 0 | 0 | 0 | 114 | M144 | M144-F148 HydrophobicContact CE-CD2 3.59Å; M144-F148 HydrophobicContact CE-CE2 4.02Å; M144-F148 PolarHBondContact O-N 3.48Å; M144-F148 HydrophobicContact SD-CD2 3.96Å; M144-F148 HydrophobicContact SD-CE2 4.16Å |
| 149 | G | 82.6 | Confident | 86.5 | Confident | 25 Ų | 25 | 63 Ų | 63 | 26% | 0.258 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -92.9 | -160.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | M144 C145 H151 K152 | M144-G149 PolarHBondContact O-N 3.43Å; M144-G149 VanDerWaalsContact O-N 3.1Å; C145-G149 CarbonylContact O-C 3.28Å; C145-G149 VanDerWaalsContact O-CA 3.25Å; C145-G149 WeakPolarHBondContact O-CA 3.44Å; C145-G149 PolarHBondContact O-N 2.99Å; G149-H151 PolarHBondContact O-N 3.37Å; G149-K152 PolarHBondContact O-N 3.48Å |
| 150 | V | 84.6 | Confident | 86.2 | Confident | 127 Ų | 127 | 65.9 Ų | 65.9 | 77% | 0.77 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17.1 | -172.1 | -61.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 151 | H | 85.1 | Confident | 86 | Confident | 28 Ų | 28 | 65.5 Ų | 65.5 | 13% | 0.13 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 17.2 | -179.6 | -63.6 | -66.7 | 0 | 0 | 0 | 113.5 | C134 C137 C145 K146 G149 A153 C154 | C134-H151 PolarHBondContact SG-ND1 2.9Å; C134-H151 VanDerWaalsContact SG-ND1 3.45Å; C137-H151 VanDerWaalsContact SG-CE1 3.53Å; C137-H151 PolarHBondContact SG-ND1 2.9Å; C145-H151 PolarHBondContact O-N 3.14Å; C145-H151 VanDerWaalsContact O-N 3.16Å; K146-H151 VanDerWaalsContact CD-O 3.31Å; K146-H151 WeakPolarHBondContact CD-O 3.41Å; G149-H151 PolarHBondContact O-N 3.37Å; H151-A153 VanDerWaalsContact C-N 3.34Å; H151-A153 PolarHBondContact O-N 2.9Å; H151-C154 HydrophobicContact CB-CB 4.18Å; H151-C154 PolarHBondContact O-N 2.73Å; H151-C154 VanDerWaalsContact O-N 3.09Å |
| 152 | K | 85.8 | Confident | 86 | Confident | 146 Ų | 146 | 66.2 Ų | 66.2 | 64% | 0.635 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -47.1 | -177.2 | -170.2 | 176.5 | -178.7 | 179.7 | 0 | 113.7 | K146 G149 | K146-K152 PolarHBondContact NZ-O 3.19Å; K146-K152 VanDerWaalsContact O-CA 3.24Å; K146-K152 WeakPolarHBondContact O-CA 3.37Å; G149-K152 PolarHBondContact O-N 3.48Å |
| 153 | A | 86.8 | Confident | 86 | Confident | 105 Ų | 105 | 71.1 Ų | 71.1 | 87% | 0.868 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | H151 | H151-A153 VanDerWaalsContact C-N 3.34Å; H151-A153 PolarHBondContact O-N 2.9Å |
| 154 | C | 89.9 | Confident | 86.1 | Confident | 18 Ų | 18 | 73 Ų | 73 | 12% | 0.122 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -82.2 | 148.9 | -177.4 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | C134 K146 H151 | C134-C154 WeakPolarHBondContact SG-CB 3.38Å; K146-C154 PolarHBondContact NZ-O 3.4Å; H151-C154 HydrophobicContact CB-CB 4.18Å; H151-C154 PolarHBondContact O-N 2.73Å; H151-C154 VanDerWaalsContact O-N 3.09Å |
| 155 | E | 88.3 | Confident | 86.3 | Confident | 137 Ų | 137 | 71.8 Ų | 71.8 | 64% | 0.64 | 40% | 0.403 | S | S | * | . | trans | -74.6 | 136 | 169.9 | -165.4 | 175.3 | -179 | 0 | 0 | 110.1 | L135 T136 | L135-E155 HydrophobicContact CD1-CG 4.22Å; L135-E155 PolarHBondContact N-O 3.35Å; T136-E155 PolarHBondContact OG1-N 2.95Å | ||
| 156 | V | 89.7 | Confident | 86.6 | Confident | 46 Ų | 46 | 75.9 Ų | 75.9 | 28% | 0.279 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 149.6 | -175.9 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | I132 Y133 C134 K146 | I132-V156 HydrophobicContact CG2-CB 3.53Å; I132-V156 HydrophobicContact CG2-CG1 3.98Å; I132-V156 HydrophobicContact CG2-CG2 3.97Å; Y133-V156 CarbonylContact O-C 3.55Å; Y133-V156 VanDerWaalsContact O-CA 3.28Å; Y133-V156 WeakPolarHBondContact O-CA 3.5Å; C134-V156 HydrophobicContact CB-CG1 4.38Å; K146-V156 HydrophobicContact CD-CG1 3.72Å; K146-V156 HydrophobicContact CD-CG2 3.91Å; K146-V156 HydrophobicContact CG-CG1 4.37Å; K146-V156 HydrophobicContact CG-CG2 4.12Å |
| 157 | A | 88.6 | Confident | 86.9 | Confident | 20 Ų | 20 | 78.3 Ų | 78.3 | 17% | 0.165 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 159.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y133 L135 L159 V162 | Y133-A157 PolarHBondContact N-O 3.49Å; Y133-A157 PolarHBondContact O-N 3.22Å; L135-A157 HydrophobicContact CD1-CB 4.1Å; L135-A157 HydrophobicContact CG-CB 4.33Å; A157-L159 PolarHBondContact O-N 2.85Å; A157-V162 HydrophobicContact CB-CG2 3.67Å |
| 158 | P | 87.4 | Confident | 87.4 | Confident | 85 Ų | 85 | 79.2 Ų | 79.2 | 55% | 0.552 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 130.9 | 171.9 | -22.9 | 33.2 | 0 | 0 | 0 | 110.9 | Q160 S161 V162 | P158-Q160 PolarHBondContact O-N 3.06Å; P158-S161 PolarHBondContact O-N 3.21Å; P158-S161 VanDerWaalsContact O-N 3.11Å; P158-S161 PolarHBondContact O-OG 3.07Å; P158-V162 PolarHBondContact O-N 3.36Å |
| 159 | L | 86.1 | Confident | 88 | Confident | 49 Ų | 49 | 78 Ų | 78 | 26% | 0.257 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -57.4 | -38.5 | -178 | -179.7 | 67.4 | 0 | 0 | 0 | 111.7 | I130 N131 Y133 P140 A157 S161 V162 F163 | I130-L159 HydrophobicContact CG2-CD2 4.2Å; N131-L159 WeakPolarHBondContact O-CB 3.36Å; N131-L159 PolarHBondContact O-N 2.82Å; N131-L159 VanDerWaalsContact O-N 3.08Å; Y133-L159 HydrophobicContact CD2-CD1 4.15Å; P140-L159 HydrophobicContact CB-CD1 3.97Å; A157-L159 PolarHBondContact O-N 2.85Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 3.35Å; L159-V162 PolarHBondContact O-N 2.88Å; L159-F163 WeakPolarHBondContact O-CB 3.5Å; L159-F163 PolarHBondContact O-N 3Å |
| 160 | Q | 82.9 | Confident | 88.6 | Confident | 124 Ų | 124 | 81.9 Ų | 81.9 | 58% | 0.579 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64 | -36.2 | -179.4 | -169.5 | 65.8 | 13.1 | 0 | 0 | 112.6 | P158 Q164 | P158-Q160 PolarHBondContact O-N 3.06Å; Q160-Q164 VanDerWaalsContact O-CG 3.27Å; Q160-Q164 WeakPolarHBondContact O-CG 3.37Å; Q160-Q164 PolarHBondContact O-N 3.49Å; Q160-Q164 VanDerWaalsContact O-N 3.08Å |
| 161 | S | 85.4 | Confident | 89.1 | Confident | 65 Ų | 65 | 79.6 Ų | 79.6 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -73.5 | -42.5 | 180 | 58 | 0 | 0 | 0 | 0 | 111.6 | P158 L159 Q164 G165 | P158-S161 PolarHBondContact O-N 3.21Å; P158-S161 VanDerWaalsContact O-N 3.11Å; P158-S161 PolarHBondContact O-OG 3.07Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 3.35Å; S161-Q164 PolarHBondContact O-N 3.38Å; S161-G165 PolarHBondContact O-N 2.9Å |
| 162 | V | 89.2 | Confident | 89.5 | Confident | 22 Ų | 22 | 82.6 Ų | 82.6 | 13% | 0.133 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 175.7 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | Y133 L135 A157 P158 L159 Q164 G165 Q166 | Y133-V162 HydrophobicContact CD1-CB 4.23Å; Y133-V162 HydrophobicContact CD1-CG1 3.7Å; Y133-V162 HydrophobicContact CD1-CG2 4.04Å; Y133-V162 HydrophobicContact CD2-CG1 4.49Å; Y133-V162 HydrophobicContact CE1-CG1 3.93Å; Y133-V162 HydrophobicContact CG-CB 4.22Å; Y133-V162 HydrophobicContact CG-CG1 3.97Å; Y133-V162 HydrophobicContact CG-CG2 4.27Å; L135-V162 HydrophobicContact CD2-CG2 4.28Å; A157-V162 HydrophobicContact CB-CG2 3.67Å; P158-V162 PolarHBondContact O-N 3.36Å; L159-V162 PolarHBondContact O-N 2.88Å; V162-Q164 PolarHBondContact O-N 3.48Å; V162-G165 PolarHBondContact O-N 3.3Å; V162-Q166 HydrophobicContact CG1-CG 4.2Å; V162-Q166 WeakPolarHBondContact O-CB 3.33Å; V162-Q166 PolarHBondContact O-N 3.06Å |
| 163 | F | 87.1 | Confident | 90.1 | Very high | 102 Ų | 102 | 78.5 Ų | 78.5 | 45% | 0.447 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58 | -47.1 | 175.8 | 172.4 | -103.8 | 0 | 0 | 0 | 112.4 | L159 K167 | L159-F163 WeakPolarHBondContact O-CB 3.5Å; L159-F163 PolarHBondContact O-N 3Å; F163-K167 HydrophobicContact CE1-CD 4.4Å; F163-K167 HydrophobicContact CZ-CD 4.34Å; F163-K167 WeakPolarHBondContact O-CB 3.34Å; F163-K167 PolarHBondContact O-N 3.13Å |
| 164 | Q | 88.6 | Confident | 90.5 | Very high | 77 Ų | 77 | 77.4 Ų | 77.4 | 36% | 0.36 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67 | -39.8 | 177.8 | -66.3 | -60.6 | -25.3 | 0 | 0 | 111.9 | Q160 S161 V162 K167 I168 | Q160-Q164 VanDerWaalsContact O-CG 3.27Å; Q160-Q164 WeakPolarHBondContact O-CG 3.37Å; Q160-Q164 PolarHBondContact O-N 3.49Å; Q160-Q164 VanDerWaalsContact O-N 3.08Å; S161-Q164 PolarHBondContact O-N 3.38Å; V162-Q164 PolarHBondContact O-N 3.48Å; Q164-K167 PolarHBondContact O-N 3.45Å; Q164-I168 VanDerWaalsContact O-CG1 3.29Å; Q164-I168 WeakPolarHBondContact O-CG1 3.46Å; Q164-I168 PolarHBondContact O-N 3.06Å |
| 165 | G | 90 | Very high | 90.8 | Very high | 37 Ų | 37 | 80.1 Ų | 80.1 | 38% | 0.381 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60 | -54.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S161 V162 K167 I168 E169 | S161-G165 PolarHBondContact O-N 2.9Å; V162-G165 PolarHBondContact O-N 3.3Å; G165-K167 VanDerWaalsContact C-N 3.26Å; G165-K167 PolarHBondContact O-N 3.22Å; G165-I168 PolarHBondContact O-N 3.49Å; G165-I168 VanDerWaalsContact O-N 3.08Å; G165-E169 PolarHBondContact O-N 2.9Å |
| 166 | Q | 90.6 | Very high | 91.2 | Very high | 97 Ų | 97 | 79.9 Ų | 79.9 | 45% | 0.453 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61 | -34.3 | 177.4 | -73.9 | -177.8 | -14.3 | 0 | 0 | 112.3 | V162 E169 L170 | V162-Q166 HydrophobicContact CG1-CG 4.2Å; V162-Q166 WeakPolarHBondContact O-CB 3.33Å; V162-Q166 PolarHBondContact O-N 3.06Å; Q166-E169 PolarHBondContact O-N 3.13Å; Q166-L170 VanDerWaalsContact O-CB 3.23Å; Q166-L170 WeakPolarHBondContact O-CB 3.49Å; Q166-L170 PolarHBondContact O-N 2.83Å |
| 167 | K | 92 | Very high | 91.5 | Very high | 104 Ų | 104 | 83 Ų | 83 | 45% | 0.452 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | 175 | -174.3 | 178.9 | -180 | -175.7 | 0 | 112.2 | F163 Q164 G165 N171 | F163-K167 HydrophobicContact CE1-CD 4.4Å; F163-K167 HydrophobicContact CZ-CD 4.34Å; F163-K167 WeakPolarHBondContact O-CB 3.34Å; F163-K167 PolarHBondContact O-N 3.13Å; Q164-K167 PolarHBondContact O-N 3.45Å; G165-K167 VanDerWaalsContact C-N 3.26Å; G165-K167 PolarHBondContact O-N 3.22Å; K167-N171 WeakPolarHBondContact O-CB 3.37Å; K167-N171 PolarHBondContact O-N 2.94Å; K167-N171 PolarHBondContact O-ND2 3.34Å |
| 168 | I | 94.3 | Very high | 91.9 | Very high | 98 Ų | 98 | 85.5 Ų | 85.5 | 50% | 0.503 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.9 | -46.8 | 175.4 | -68.4 | 163.9 | 0 | 0 | 0 | 109.9 | Q164 G165 L170 N171 N172 | Q164-I168 VanDerWaalsContact O-CG1 3.29Å; Q164-I168 WeakPolarHBondContact O-CG1 3.46Å; Q164-I168 PolarHBondContact O-N 3.06Å; G165-I168 PolarHBondContact O-N 3.49Å; G165-I168 VanDerWaalsContact O-N 3.08Å; I168-L170 PolarHBondContact O-N 2.84Å; I168-N171 PolarHBondContact O-N 3.45Å; I168-N172 VanDerWaalsContact O-CG 3.26Å; I168-N172 PolarHBondContact O-N 3.34Å; I168-N172 PolarHBondContact O-OD1 3.02Å |
| 169 | E | 94 | Very high | 92.3 | Very high | 125 Ų | 125 | 83.5 Ų | 83.5 | 58% | 0.584 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -58.4 | -47.7 | 177.7 | -172.1 | 178.1 | -177.8 | 0 | 0 | 111.6 | G165 Q166 N171 N172 C173 | G165-E169 PolarHBondContact O-N 2.9Å; Q166-E169 PolarHBondContact O-N 3.13Å; E169-N171 VanDerWaalsContact C-N 3.34Å; E169-N171 PolarHBondContact O-N 2.91Å; E169-N172 WeakPolarHBondContact O-CB 3.39Å; E169-N172 PolarHBondContact O-N 3.46Å; E169-N172 VanDerWaalsContact O-N 3.13Å; E169-C173 PolarHBondContact O-N 2.77Å; E169-C173 PolarHBondContact O-SG 2.98Å; E169-C173 VanDerWaalsContact O-SG 3.34Å |
| 170 | L | 94.3 | Very high | 92.8 | Very high | 107 Ų | 107 | 82.5 Ų | 82.5 | 56% | 0.56 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.4 | -42.5 | 175.4 | -177.5 | 62.3 | 0 | 0 | 0 | 112 | Q166 I168 N172 C173 I174 | Q166-L170 VanDerWaalsContact O-CB 3.23Å; Q166-L170 WeakPolarHBondContact O-CB 3.49Å; Q166-L170 PolarHBondContact O-N 2.83Å; I168-L170 PolarHBondContact O-N 2.84Å; L170-N172 VanDerWaalsContact C-N 3.32Å; L170-N172 PolarHBondContact O-N 3Å; L170-C173 PolarHBondContact O-N 2.85Å; L170-I174 HydrophobicContact CD1-CD1 4.37Å; L170-I174 HydrophobicContact CD1-CG1 4.48Å; L170-I174 HydrophobicContact CG-CD1 3.98Å; L170-I174 WeakPolarHBondContact O-CB 3.44Å; L170-I174 VanDerWaalsContact O-CG1 3.22Å; L170-I174 WeakPolarHBondContact O-CG1 3.34Å; L170-I174 PolarHBondContact O-N 3.35Å |
| 171 | N | 94.3 | Very high | 93.5 | Very high | 79 Ų | 79 | 81 Ų | 81 | 42% | 0.422 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 175.4 | -82.9 | -39.2 | 0 | 0 | 0 | 112.5 | K167 I168 E169 I174 S175 | K167-N171 WeakPolarHBondContact O-CB 3.37Å; K167-N171 PolarHBondContact O-N 2.94Å; K167-N171 PolarHBondContact O-ND2 3.34Å; I168-N171 PolarHBondContact O-N 3.45Å; E169-N171 VanDerWaalsContact C-N 3.34Å; E169-N171 PolarHBondContact O-N 2.91Å; N171-I174 PolarHBondContact O-N 3.22Å; N171-S175 WeakPolarHBondContact O-CB 3.36Å; N171-S175 PolarHBondContact O-N 3.42Å; N171-S175 PolarHBondContact O-OG 3.16Å |
| 172 | N | 95.4 | Very high | 94 | Very high | 92 Ų | 92 | 82.6 Ų | 82.6 | 49% | 0.492 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 175.2 | -67.4 | -16 | 0 | 0 | 0 | 110.5 | I168 E169 L170 I174 S175 M176 | I168-N172 VanDerWaalsContact O-CG 3.26Å; I168-N172 PolarHBondContact O-N 3.34Å; I168-N172 PolarHBondContact O-OD1 3.02Å; E169-N172 WeakPolarHBondContact O-CB 3.39Å; E169-N172 PolarHBondContact O-N 3.46Å; E169-N172 VanDerWaalsContact O-N 3.13Å; L170-N172 VanDerWaalsContact C-N 3.32Å; L170-N172 PolarHBondContact O-N 3Å; N172-I174 PolarHBondContact O-N 3.16Å; N172-S175 PolarHBondContact O-N 2.89Å; N172-S175 VanDerWaalsContact O-N 3.16Å; N172-M176 WeakPolarHBondContact O-CG 3.37Å; N172-M176 PolarHBondContact O-N 3.14Å |
| 173 | C | 96.6 | Very high | 94.4 | Very high | 60 Ų | 60 | 90.1 Ų | 90.1 | 41% | 0.405 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 174.6 | -66.9 | 0 | 0 | 0 | 0 | 112.1 | E169 L170 S175 M176 L177 | E169-C173 PolarHBondContact O-N 2.77Å; E169-C173 PolarHBondContact O-SG 2.98Å; E169-C173 VanDerWaalsContact O-SG 3.34Å; L170-C173 PolarHBondContact O-N 2.85Å; C173-S175 VanDerWaalsContact C-N 3.33Å; C173-S175 PolarHBondContact O-N 2.96Å; C173-M176 PolarHBondContact O-N 3.44Å; C173-L177 WeakPolarHBondContact O-CB 3.39Å; C173-L177 PolarHBondContact O-N 2.92Å |
| 174 | I | 95.9 | Very high | 94.9 | Very high | 82 Ų | 82 | 89.1 Ų | 89.1 | 42% | 0.421 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 174 | -70.7 | 165.3 | 0 | 0 | 0 | 110.1 | L170 N171 N172 M176 L177 V178 | L170-I174 HydrophobicContact CD1-CD1 4.37Å; L170-I174 HydrophobicContact CD1-CG1 4.48Å; L170-I174 HydrophobicContact CG-CD1 3.98Å; L170-I174 WeakPolarHBondContact O-CB 3.44Å; L170-I174 VanDerWaalsContact O-CG1 3.22Å; L170-I174 WeakPolarHBondContact O-CG1 3.34Å; L170-I174 PolarHBondContact O-N 3.35Å; N171-I174 PolarHBondContact O-N 3.22Å; N172-I174 PolarHBondContact O-N 3.16Å; I174-M176 PolarHBondContact O-N 2.85Å; I174-L177 PolarHBondContact O-N 3.15Å; I174-V178 HydrophobicContact CG2-CG2 4.21Å; I174-V178 WeakPolarHBondContact O-CB 3.21Å; I174-V178 VanDerWaalsContact O-CG2 3.28Å; I174-V178 WeakPolarHBondContact O-CG2 3.44Å; I174-V178 PolarHBondContact O-N 2.93Å |
| 175 | S | 96.4 | Very high | 95.3 | Very high | 75 Ų | 75 | 90.4 Ų | 90.4 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | -179.7 | -57 | 0 | 0 | 0 | 0 | 112 | N171 N172 C173 V178 A179 | N171-S175 WeakPolarHBondContact O-CB 3.36Å; N171-S175 PolarHBondContact O-N 3.42Å; N171-S175 PolarHBondContact O-OG 3.16Å; N172-S175 PolarHBondContact O-N 2.89Å; N172-S175 VanDerWaalsContact O-N 3.16Å; C173-S175 VanDerWaalsContact C-N 3.33Å; C173-S175 PolarHBondContact O-N 2.96Å; S175-V178 PolarHBondContact O-N 3.43Å; S175-A179 PolarHBondContact O-N 2.93Å |
| 176 | M | 96 | Very high | 95.7 | Very high | 131 Ų | 131 | 92.1 Ų | 92.1 | 65% | 0.645 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.7 | -42.6 | 174.1 | -69.5 | -171.4 | -64.1 | 0 | 0 | 111.9 | N172 C173 I174 A179 G180 | N172-M176 WeakPolarHBondContact O-CG 3.37Å; N172-M176 PolarHBondContact O-N 3.14Å; C173-M176 PolarHBondContact O-N 3.44Å; I174-M176 PolarHBondContact O-N 2.85Å; M176-A179 PolarHBondContact O-N 2.99Å; M176-G180 PolarHBondContact O-N 3.42Å |
| 177 | L | 96.2 | Very high | 96.1 | Very high | 111 Ų | 111 | 91.8 Ų | 91.8 | 58% | 0.581 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.6 | -40.2 | 179.1 | -175 | 63.6 | 0 | 0 | 0 | 111.8 | C173 I174 G180 N181 | C173-L177 WeakPolarHBondContact O-CB 3.39Å; C173-L177 PolarHBondContact O-N 2.92Å; I174-L177 PolarHBondContact O-N 3.15Å; L177-G180 PolarHBondContact O-N 3.26Å; L177-N181 WeakPolarHBondContact O-CB 3.47Å; L177-N181 VanDerWaalsContact O-CG 3.29Å; L177-N181 PolarHBondContact O-N 2.89Å; L177-N181 PolarHBondContact O-ND2 3.16Å |
| 178 | V | 97 | Very high | 96.3 | Very high | 74 Ų | 74 | 90 Ų | 90 | 45% | 0.448 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 174.4 | 170.1 | 0 | 0 | 0 | 0 | 110.2 | I174 S175 G180 N181 D182 | I174-V178 HydrophobicContact CG2-CG2 4.21Å; I174-V178 WeakPolarHBondContact O-CB 3.21Å; I174-V178 VanDerWaalsContact O-CG2 3.28Å; I174-V178 WeakPolarHBondContact O-CG2 3.44Å; I174-V178 PolarHBondContact O-N 2.93Å; S175-V178 PolarHBondContact O-N 3.43Å; V178-G180 VanDerWaalsContact C-N 3.29Å; V178-G180 PolarHBondContact O-N 3.14Å; V178-N181 PolarHBondContact O-N 3.11Å; V178-N181 VanDerWaalsContact O-N 3.14Å; V178-D182 PolarHBondContact O-N 3.42Å |
| 179 | A | 96 | Very high | 96.5 | Very high | 43 Ų | 43 | 88 Ų | 88 | 36% | 0.355 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.5 | -36.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S175 M176 D182 R183 | S175-A179 PolarHBondContact O-N 2.93Å; M176-A179 PolarHBondContact O-N 2.99Å; A179-D182 PolarHBondContact O-N 2.95Å; A179-R183 WeakPolarHBondContact O-CG 3.23Å; A179-R183 PolarHBondContact O-N 3.23Å |
| 180 | G | 96.9 | Very high | 96.7 | Very high | 27 Ų | 27 | 87.9 Ų | 87.9 | 28% | 0.278 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M176 L177 V178 D182 R183 V184 | M176-G180 PolarHBondContact O-N 3.42Å; L177-G180 PolarHBondContact O-N 3.26Å; V178-G180 VanDerWaalsContact C-N 3.29Å; V178-G180 PolarHBondContact O-N 3.14Å; G180-D182 VanDerWaalsContact C-N 3.35Å; G180-D182 PolarHBondContact O-N 2.92Å; G180-R183 WeakPolarHBondContact O-CB 3.39Å; G180-R183 PolarHBondContact O-N 3.49Å; G180-V184 WeakPolarHBondContact O-CG2 3.32Å; G180-V184 PolarHBondContact O-N 2.86Å |
| 181 | N | 96.4 | Very high | 96.9 | Very high | 93 Ų | 93 | 88 Ų | 88 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 176.1 | -72.7 | -19.5 | 0 | 0 | 0 | 112 | L177 V178 R183 V184 Q185 | L177-N181 WeakPolarHBondContact O-CB 3.47Å; L177-N181 VanDerWaalsContact O-CG 3.29Å; L177-N181 PolarHBondContact O-N 2.89Å; L177-N181 PolarHBondContact O-ND2 3.16Å; V178-N181 PolarHBondContact O-N 3.11Å; V178-N181 VanDerWaalsContact O-N 3.14Å; N181-R183 VanDerWaalsContact C-N 3.29Å; N181-R183 PolarHBondContact O-N 3.33Å; N181-V184 PolarHBondContact O-N 3.32Å; N181-Q185 WeakPolarHBondContact O-CB 3.45Å; N181-Q185 PolarHBondContact O-N 3.22Å |
| 182 | D | 97.1 | Very high | 97 | Very high | 98 Ų | 98 | 90 Ų | 90 | 52% | 0.524 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 175.8 | -67.9 | -22 | 0 | 0 | 0 | 111.5 | V178 A179 G180 Q185 T186 | V178-D182 PolarHBondContact O-N 3.42Å; A179-D182 PolarHBondContact O-N 2.95Å; G180-D182 VanDerWaalsContact C-N 3.35Å; G180-D182 PolarHBondContact O-N 2.92Å; D182-Q185 PolarHBondContact O-N 2.96Å; D182-T186 PolarHBondContact O-N 3.24Å; D182-T186 PolarHBondContact O-OG1 3.06Å |
| 183 | R | 97.4 | Very high | 97.2 | Very high | 180 Ų | 180 | 89 Ų | 89 | 68% | 0.679 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.2 | -47.2 | 173.9 | -70 | 173.4 | 179.4 | 152.3 | -2.4 | 111.8 | A179 G180 N181 Q185 T186 I187 | A179-R183 WeakPolarHBondContact O-CG 3.23Å; A179-R183 PolarHBondContact O-N 3.23Å; G180-R183 WeakPolarHBondContact O-CB 3.39Å; G180-R183 PolarHBondContact O-N 3.49Å; N181-R183 VanDerWaalsContact C-N 3.29Å; N181-R183 PolarHBondContact O-N 3.33Å; R183-Q185 VanDerWaalsContact C-N 3.3Å; R183-Q185 PolarHBondContact O-N 3.08Å; R183-T186 WeakPolarHBondContact O-CB 3.36Å; R183-T186 PolarHBondContact O-N 2.89Å; R183-I187 WeakPolarHBondContact O-CG1 3.47Å; R183-I187 PolarHBondContact O-N 3.27Å |
| 184 | V | 97.4 | Very high | 97.2 | Very high | 81 Ų | 81 | 89.3 Ų | 89.3 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 176.7 | 173 | 0 | 0 | 0 | 0 | 110.8 | G180 N181 T186 I187 I188 | G180-V184 WeakPolarHBondContact O-CG2 3.32Å; G180-V184 PolarHBondContact O-N 2.86Å; N181-V184 PolarHBondContact O-N 3.32Å; V184-T186 VanDerWaalsContact C-N 3.3Å; V184-T186 PolarHBondContact O-N 3.17Å; V184-I187 PolarHBondContact O-N 3.48Å; V184-I188 HydrophobicContact CG1-CD1 3.95Å; V184-I188 HydrophobicContact CG1-CG1 4.46Å; V184-I188 WeakPolarHBondContact O-CG1 3.47Å; V184-I188 PolarHBondContact O-N 2.83Å |
| 185 | Q | 97.6 | Very high | 97.3 | Very high | 105 Ų | 105 | 88.9 Ų | 88.9 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 176.6 | -170.2 | 61 | 55.9 | 0 | 0 | 111.8 | N181 D182 R183 I188 T189 | N181-Q185 WeakPolarHBondContact O-CB 3.45Å; N181-Q185 PolarHBondContact O-N 3.22Å; D182-Q185 PolarHBondContact O-N 2.96Å; R183-Q185 VanDerWaalsContact C-N 3.3Å; R183-Q185 PolarHBondContact O-N 3.08Å; Q185-I188 PolarHBondContact O-N 3.26Å; Q185-T189 WeakPolarHBondContact O-CG2 3.39Å; Q185-T189 PolarHBondContact O-N 3.23Å; Q185-T189 PolarHBondContact O-OG1 3.45Å |
| 186 | T | 98 | Very high | 97.4 | Very high | 73 Ų | 73 | 91.3 Ų | 91.3 | 45% | 0.448 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 174.9 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | D182 R183 V184 I188 T189 Q190 | D182-T186 PolarHBondContact O-N 3.24Å; D182-T186 PolarHBondContact O-OG1 3.06Å; R183-T186 WeakPolarHBondContact O-CB 3.36Å; R183-T186 PolarHBondContact O-N 2.89Å; V184-T186 VanDerWaalsContact C-N 3.3Å; V184-T186 PolarHBondContact O-N 3.17Å; T186-I188 VanDerWaalsContact C-N 3.34Å; T186-I188 PolarHBondContact O-N 3.34Å; T186-T189 WeakPolarHBondContact CA-OG1 3.47Å; T186-T189 PolarHBondContact O-N 2.94Å; T186-T189 PolarHBondContact O-OG1 3.42Å; T186-Q190 WeakPolarHBondContact O-CG 3.28Å; T186-Q190 PolarHBondContact O-N 3.49Å |
| 187 | I | 98 | Very high | 97.5 | Very high | 89 Ų | 89 | 88.1 Ų | 88.1 | 46% | 0.456 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 177.2 | -65.3 | 166.6 | 0 | 0 | 0 | 110.7 | R183 V184 T189 Q190 L191 | R183-I187 WeakPolarHBondContact O-CG1 3.47Å; R183-I187 PolarHBondContact O-N 3.27Å; V184-I187 PolarHBondContact O-N 3.48Å; I187-T189 VanDerWaalsContact C-N 3.33Å; I187-T189 PolarHBondContact O-N 2.92Å; I187-Q190 PolarHBondContact O-N 2.87Å; I187-L191 HydrophobicContact CG2-CD1 4.04Å; I187-L191 HydrophobicContact CG2-CG 4.37Å; I187-L191 WeakPolarHBondContact O-CG 3.38Å; I187-L191 PolarHBondContact O-N 2.92Å |
| 188 | I | 97.6 | Very high | 97.5 | Very high | 66 Ų | 66 | 87 Ų | 87 | 34% | 0.338 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.4 | -48.1 | 175.6 | -70.5 | 167.9 | 0 | 0 | 0 | 110.1 | V184 Q185 T186 Q190 L191 E192 | V184-I188 HydrophobicContact CG1-CD1 3.95Å; V184-I188 HydrophobicContact CG1-CG1 4.46Å; V184-I188 WeakPolarHBondContact O-CG1 3.47Å; V184-I188 PolarHBondContact O-N 2.83Å; Q185-I188 PolarHBondContact O-N 3.26Å; T186-I188 VanDerWaalsContact C-N 3.34Å; T186-I188 PolarHBondContact O-N 3.34Å; I188-Q190 VanDerWaalsContact C-N 3.32Å; I188-Q190 PolarHBondContact O-N 3.42Å; I188-L191 PolarHBondContact O-N 3.41Å; I188-E192 HydrophobicContact CG2-CG 4.31Å; I188-E192 WeakPolarHBondContact O-CB 3.45Å; I188-E192 WeakPolarHBondContact O-CG 3.28Å; I188-E192 PolarHBondContact O-N 2.9Å |
| 189 | T | 97.8 | Very high | 97.5 | Very high | 56 Ų | 56 | 90.9 Ų | 90.9 | 34% | 0.344 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.5 | -37.9 | 179 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | Q185 T186 I187 E192 D193 | Q185-T189 WeakPolarHBondContact O-CG2 3.39Å; Q185-T189 PolarHBondContact O-N 3.23Å; Q185-T189 PolarHBondContact O-OG1 3.45Å; T186-T189 WeakPolarHBondContact CA-OG1 3.47Å; T186-T189 PolarHBondContact O-N 2.94Å; T186-T189 PolarHBondContact O-OG1 3.42Å; I187-T189 VanDerWaalsContact C-N 3.33Å; I187-T189 PolarHBondContact O-N 2.92Å; T189-E192 PolarHBondContact O-N 2.9Å; T189-D193 WeakPolarHBondContact O-CB 3.46Å; T189-D193 PolarHBondContact O-N 3.11Å |
| 190 | Q | 98.4 | Very high | 97.6 | Very high | 123 Ų | 123 | 94.1 Ų | 94.1 | 58% | 0.575 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.9 | -42.1 | 175.6 | -72.9 | 174.2 | -14.7 | 0 | 0 | 112.1 | T186 I187 I188 D193 S194 | T186-Q190 WeakPolarHBondContact O-CG 3.28Å; T186-Q190 PolarHBondContact O-N 3.49Å; I187-Q190 PolarHBondContact O-N 2.87Å; I188-Q190 VanDerWaalsContact C-N 3.32Å; I188-Q190 PolarHBondContact O-N 3.42Å; Q190-D193 PolarHBondContact O-N 2.95Å; Q190-S194 WeakPolarHBondContact O-CB 3.44Å; Q190-S194 PolarHBondContact O-N 3.15Å |
| 191 | L | 97.9 | Very high | 97.6 | Very high | 110 Ų | 110 | 97.3 Ų | 97.3 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.3 | -38.5 | 176.7 | -70.1 | 174 | 0 | 0 | 0 | 112 | I187 I188 S194 C195 | I187-L191 HydrophobicContact CG2-CD1 4.04Å; I187-L191 HydrophobicContact CG2-CG 4.37Å; I187-L191 WeakPolarHBondContact O-CG 3.38Å; I187-L191 PolarHBondContact O-N 2.92Å; I188-L191 PolarHBondContact O-N 3.41Å; L191-S194 PolarHBondContact O-N 3.22Å; L191-C195 WeakPolarHBondContact O-CB 3.47Å; L191-C195 PolarHBondContact O-N 3.23Å; L191-C195 PolarHBondContact O-SG 2.69Å; L191-C195 VanDerWaalsContact O-SG 3.34Å |
| 192 | E | 97.7 | Very high | 97.6 | Very high | 120 Ų | 120 | 95.3 Ų | 95.3 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.6 | -43.7 | 174.3 | -74 | 178 | 157.4 | 0 | 0 | 111.6 | I188 T189 C195 R196 | I188-E192 HydrophobicContact CG2-CG 4.31Å; I188-E192 WeakPolarHBondContact O-CB 3.45Å; I188-E192 WeakPolarHBondContact O-CG 3.28Å; I188-E192 PolarHBondContact O-N 2.9Å; T189-E192 PolarHBondContact O-N 2.9Å; E192-C195 PolarHBondContact O-N 3.38Å; E192-R196 PolarHBondContact O-N 3.32Å |
| 193 | D | 98.1 | Very high | 97.6 | Very high | 72 Ų | 72 | 96.3 Ų | 96.3 | 39% | 0.385 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 175.7 | -80.9 | -24.8 | 0 | 0 | 0 | 111.7 | T189 Q190 C195 R196 V197 | T189-D193 WeakPolarHBondContact O-CB 3.46Å; T189-D193 PolarHBondContact O-N 3.11Å; Q190-D193 PolarHBondContact O-N 2.95Å; D193-C195 VanDerWaalsContact C-N 3.35Å; D193-C195 PolarHBondContact O-N 3.22Å; D193-R196 WeakPolarHBondContact O-CB 3.38Å; D193-R196 PolarHBondContact O-N 3.43Å; D193-R196 VanDerWaalsContact O-N 3.11Å; D193-R196 IonicContact OD1-CZ 2.73Å; D193-R196 IonicContact OD1-NH1 3.53Å; D193-R196 PolarHBondContact OD1-NH1 3.23Å; D193-R196 IonicContact OD1-NH2 2.8Å; D193-R196 PolarHBondContact OD1-NH2 3.3Å; D193-V197 WeakPolarHBondContact O-CG2 3.47Å; D193-V197 PolarHBondContact O-N 3Å |
| 194 | S | 97.4 | Very high | 97.6 | Very high | 67 Ų | 67 | 92 Ų | 92 | 47% | 0.469 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 174.3 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | Q190 L191 R196 V197 T198 | Q190-S194 WeakPolarHBondContact O-CB 3.44Å; Q190-S194 PolarHBondContact O-N 3.15Å; L191-S194 PolarHBondContact O-N 3.22Å; S194-R196 VanDerWaalsContact C-N 3.3Å; S194-R196 PolarHBondContact O-N 3.29Å; S194-V197 PolarHBondContact O-N 3.41Å; S194-T198 PolarHBondContact O-N 2.92Å; S194-T198 PolarHBondContact O-OG1 2.73Å; S194-T198 VanDerWaalsContact O-OG1 3.06Å |
| 195 | C | 97.6 | Very high | 97.5 | Very high | 73 Ų | 73 | 92.3 Ų | 92.3 | 49% | 0.493 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.4 | -38.5 | 174.5 | -79.4 | 0 | 0 | 0 | 0 | 113 | L191 E192 D193 K199 | L191-C195 WeakPolarHBondContact O-CB 3.47Å; L191-C195 PolarHBondContact O-N 3.23Å; L191-C195 PolarHBondContact O-SG 2.69Å; L191-C195 VanDerWaalsContact O-SG 3.34Å; E192-C195 PolarHBondContact O-N 3.38Å; D193-C195 VanDerWaalsContact C-N 3.35Å; D193-C195 PolarHBondContact O-N 3.22Å; C195-K199 VanDerWaalsContact O-CG 3.28Å; C195-K199 WeakPolarHBondContact O-CG 3.35Å; C195-K199 PolarHBondContact O-N 3Å |
| 196 | R | 98.1 | Very high | 97.4 | Very high | 125 Ų | 125 | 93.6 Ų | 93.6 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.7 | -50.2 | 176 | -176.4 | 178.9 | 68.5 | -123.9 | -7.4 | 110.4 | E192 D193 S194 T198 K199 E200 | E192-R196 PolarHBondContact O-N 3.32Å; D193-R196 WeakPolarHBondContact O-CB 3.38Å; D193-R196 PolarHBondContact O-N 3.43Å; D193-R196 VanDerWaalsContact O-N 3.11Å; D193-R196 IonicContact OD1-CZ 2.73Å; D193-R196 IonicContact OD1-NH1 3.53Å; D193-R196 PolarHBondContact OD1-NH1 3.23Å; D193-R196 IonicContact OD1-NH2 2.8Å; D193-R196 PolarHBondContact OD1-NH2 3.3Å; S194-R196 VanDerWaalsContact C-N 3.3Å; S194-R196 PolarHBondContact O-N 3.29Å; R196-T198 PolarHBondContact O-N 3.04Å; R196-K199 WeakPolarHBondContact O-CB 3.38Å; R196-K199 PolarHBondContact O-N 2.8Å; R196-K199 VanDerWaalsContact O-N 3.17Å; R196-E200 WeakPolarHBondContact CG-OE1 3.39Å; R196-E200 PolarHBondContact O-N 3.06Å |
| 197 | V | 98 | Very high | 97.4 | Very high | 64 Ų | 64 | 94.1 Ų | 94.1 | 39% | 0.388 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | -179.1 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | D193 S194 K199 E200 N201 | D193-V197 WeakPolarHBondContact O-CG2 3.47Å; D193-V197 PolarHBondContact O-N 3Å; S194-V197 PolarHBondContact O-N 3.41Å; V197-K199 VanDerWaalsContact C-N 3.28Å; V197-K199 PolarHBondContact O-N 3.5Å; V197-E200 PolarHBondContact O-N 3.46Å; V197-N201 WeakPolarHBondContact O-CB 3.34Å; V197-N201 VanDerWaalsContact O-CG 3.25Å; V197-N201 PolarHBondContact O-N 3.35Å |
| 198 | T | 96.8 | Very high | 97.3 | Very high | 89 Ų | 89 | 93.8 Ų | 93.8 | 55% | 0.546 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.5 | -38 | 176.6 | -56 | 0 | 0 | 0 | 0 | 112.1 | S194 R196 S202 | S194-T198 PolarHBondContact O-N 2.92Å; S194-T198 PolarHBondContact O-OG1 2.73Å; S194-T198 VanDerWaalsContact O-OG1 3.06Å; R196-T198 PolarHBondContact O-N 3.04Å; T198-S202 VanDerWaalsContact O-CB 3.28Å; T198-S202 WeakPolarHBondContact O-CB 3.33Å; T198-S202 PolarHBondContact O-N 3.47Å |
| 199 | K | 97.2 | Very high | 97.2 | Very high | 155 Ų | 155 | 93.7 Ų | 93.7 | 67% | 0.674 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.4 | -44 | 176 | -75.1 | 172 | -177.1 | 173.2 | 0 | 112.1 | C195 R196 V197 S202 H203 | C195-K199 VanDerWaalsContact O-CG 3.28Å; C195-K199 WeakPolarHBondContact O-CG 3.35Å; C195-K199 PolarHBondContact O-N 3Å; R196-K199 WeakPolarHBondContact O-CB 3.38Å; R196-K199 PolarHBondContact O-N 2.8Å; R196-K199 VanDerWaalsContact O-N 3.17Å; V197-K199 VanDerWaalsContact C-N 3.28Å; V197-K199 PolarHBondContact O-N 3.5Å; K199-S202 PolarHBondContact O-N 2.83Å; K199-H203 WeakPolarHBondContact O-CB 3.42Å; K199-H203 PolarHBondContact O-N 3.17Å |
| 200 | E | 97.4 | Very high | 97.1 | Very high | 110 Ų | 110 | 94 Ų | 94 | 51% | 0.514 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 177.2 | -73.5 | 172 | -173.6 | 0 | 0 | 110.9 | R196 V197 S202 H203 Q204 | R196-E200 WeakPolarHBondContact CG-OE1 3.39Å; R196-E200 PolarHBondContact O-N 3.06Å; V197-E200 PolarHBondContact O-N 3.46Å; E200-S202 PolarHBondContact O-N 3.27Å; E200-H203 WeakPolarHBondContact O-CB 3.43Å; E200-H203 PolarHBondContact O-N 3.41Å; E200-H203 VanDerWaalsContact O-N 3.15Å; E200-Q204 WeakPolarHBondContact O-CB 3.38Å; E200-Q204 PolarHBondContact O-N 2.81Å |
| 201 | N | 97.3 | Very high | 97.1 | Very high | 95 Ų | 95 | 92.9 Ų | 92.9 | 51% | 0.508 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60 | -44.4 | 175.3 | -69.7 | -9.5 | 0 | 0 | 0 | 111.7 | V197 H203 Q204 V205 | V197-N201 WeakPolarHBondContact O-CB 3.34Å; V197-N201 VanDerWaalsContact O-CG 3.25Å; V197-N201 PolarHBondContact O-N 3.35Å; N201-H203 VanDerWaalsContact C-N 3.31Å; N201-H203 PolarHBondContact O-N 3.19Å; N201-Q204 PolarHBondContact O-N 3.26Å; N201-V205 WeakPolarHBondContact O-CG2 3.46Å; N201-V205 PolarHBondContact O-N 3.43Å |
| 202 | S | 96.3 | Very high | 96.9 | Very high | 51 Ų | 51 | 94.5 Ų | 94.5 | 36% | 0.357 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 176 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | T198 K199 E200 K206 | T198-S202 VanDerWaalsContact O-CB 3.28Å; T198-S202 WeakPolarHBondContact O-CB 3.33Å; T198-S202 PolarHBondContact O-N 3.47Å; K199-S202 PolarHBondContact O-N 2.83Å; E200-S202 PolarHBondContact O-N 3.27Å; S202-K206 WeakPolarHBondContact O-CB 3.44Å; S202-K206 WeakPolarHBondContact O-CD 3.47Å; S202-K206 VanDerWaalsContact O-CG 3.23Å; S202-K206 WeakPolarHBondContact O-CG 3.48Å; S202-K206 PolarHBondContact O-N 3.09Å; S202-K206 VanDerWaalsContact O-N 3.16Å |
| 203 | H | 97.1 | Very high | 96.8 | Very high | 119 Ų | 119 | 92.2 Ų | 92.2 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.5 | -46.8 | 174.9 | -177 | -79.3 | 0 | 0 | 0 | 111 | K199 E200 N201 V205 K206 E207 | K199-H203 WeakPolarHBondContact O-CB 3.42Å; K199-H203 PolarHBondContact O-N 3.17Å; E200-H203 WeakPolarHBondContact O-CB 3.43Å; E200-H203 PolarHBondContact O-N 3.41Å; E200-H203 VanDerWaalsContact O-N 3.15Å; N201-H203 VanDerWaalsContact C-N 3.31Å; N201-H203 PolarHBondContact O-N 3.19Å; H203-V205 PolarHBondContact O-N 3Å; H203-K206 WeakPolarHBondContact O-CB 3.43Å; H203-K206 PolarHBondContact O-N 3.12Å; H203-E207 IonicContact CE1-OE2 3.09Å; H203-E207 IonicContact ND1-OE2 2.73Å; H203-E207 PolarHBondContact O-N 3.48Å |
| 204 | Q | 97.3 | Very high | 96.8 | Very high | 90 Ų | 90 | 93.5 Ų | 93.5 | 42% | 0.421 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.6 | -49.3 | 179.5 | -176.4 | 61.1 | 34.3 | 0 | 0 | 111.8 | E200 N201 K206 E207 E208 | E200-Q204 WeakPolarHBondContact O-CB 3.38Å; E200-Q204 PolarHBondContact O-N 2.81Å; N201-Q204 PolarHBondContact O-N 3.26Å; Q204-K206 VanDerWaalsContact C-N 3.3Å; Q204-K206 PolarHBondContact O-N 2.97Å; Q204-E207 PolarHBondContact O-N 3.21Å; Q204-E207 VanDerWaalsContact O-N 3.14Å; Q204-E208 PolarHBondContact NE2-OE1 3.4Å; Q204-E208 WeakPolarHBondContact O-CG 3.49Å; Q204-E208 PolarHBondContact O-N 2.88Å |
| 205 | V | 95.5 | Very high | 96.8 | Very high | 86 Ų | 86 | 94.3 Ų | 94.3 | 52% | 0.521 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 178.3 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | N201 H203 L209 | N201-V205 WeakPolarHBondContact O-CG2 3.46Å; N201-V205 PolarHBondContact O-N 3.43Å; H203-V205 PolarHBondContact O-N 3Å; V205-L209 WeakPolarHBondContact O-CB 3.36Å; V205-L209 PolarHBondContact O-N 3.14Å |
| 206 | K | 96.2 | Very high | 96.6 | Very high | 132 Ų | 132 | 94.2 Ų | 94.2 | 57% | 0.574 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.5 | -40 | 174.7 | -75.9 | 170.7 | -177.8 | 169.8 | 0 | 112.4 | S202 H203 Q204 S210 | S202-K206 WeakPolarHBondContact O-CB 3.44Å; S202-K206 WeakPolarHBondContact O-CD 3.47Å; S202-K206 VanDerWaalsContact O-CG 3.23Å; S202-K206 WeakPolarHBondContact O-CG 3.48Å; S202-K206 PolarHBondContact O-N 3.09Å; S202-K206 VanDerWaalsContact O-N 3.16Å; H203-K206 WeakPolarHBondContact O-CB 3.43Å; H203-K206 PolarHBondContact O-N 3.12Å; Q204-K206 VanDerWaalsContact C-N 3.3Å; Q204-K206 PolarHBondContact O-N 2.97Å; K206-S210 WeakPolarHBondContact O-CB 3.48Å; K206-S210 PolarHBondContact O-N 3.49Å; K206-S210 PolarHBondContact O-OG 3.45Å |
| 207 | E | 97.4 | Very high | 96.5 | Very high | 84 Ų | 84 | 95.1 Ų | 95.1 | 39% | 0.393 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 178 | -170.4 | 173.7 | 172.1 | 0 | 0 | 110.7 | H203 Q204 L209 S210 Q211 | H203-E207 IonicContact CE1-OE2 3.09Å; H203-E207 IonicContact ND1-OE2 2.73Å; H203-E207 PolarHBondContact O-N 3.48Å; Q204-E207 PolarHBondContact O-N 3.21Å; Q204-E207 VanDerWaalsContact O-N 3.14Å; E207-L209 VanDerWaalsContact C-N 3.35Å; E207-L209 PolarHBondContact O-N 2.86Å; E207-S210 WeakPolarHBondContact O-CB 3.33Å; E207-S210 PolarHBondContact O-N 3.29Å; E207-S210 VanDerWaalsContact O-N 3.16Å; E207-Q211 VanDerWaalsContact O-CG 3.32Å; E207-Q211 WeakPolarHBondContact O-CG 3.32Å; E207-Q211 PolarHBondContact O-N 3.03Å |
| 208 | E | 95.9 | Very high | 96.5 | Very high | 83 Ų | 83 | 95 Ų | 95 | 39% | 0.388 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 175.5 | -72.9 | 176.4 | -164.5 | 0 | 0 | 112.5 | Q204 S210 Q211 K212 | Q204-E208 PolarHBondContact NE2-OE1 3.4Å; Q204-E208 WeakPolarHBondContact O-CG 3.49Å; Q204-E208 PolarHBondContact O-N 2.88Å; E208-S210 VanDerWaalsContact C-N 3.35Å; E208-Q211 PolarHBondContact O-N 2.92Å; E208-K212 WeakPolarHBondContact O-CG 3.39Å; E208-K212 PolarHBondContact O-N 2.84Å |
| 209 | L | 95.6 | Very high | 96.5 | Very high | 63 Ų | 63 | 94.9 Ų | 94.9 | 33% | 0.33 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 173.4 | -177 | 66.1 | 0 | 0 | 0 | 110.8 | V205 E207 Q211 K212 F213 F324 | V205-L209 WeakPolarHBondContact O-CB 3.36Å; V205-L209 PolarHBondContact O-N 3.14Å; E207-L209 VanDerWaalsContact C-N 3.35Å; E207-L209 PolarHBondContact O-N 2.86Å; L209-Q211 VanDerWaalsContact C-N 3.35Å; L209-Q211 PolarHBondContact O-N 3.35Å; L209-K212 PolarHBondContact O-N 3.2Å; L209-F213 HydrophobicContact CD1-CD2 4.06Å; L209-F213 HydrophobicContact CD1-CE2 3.74Å; L209-F213 HydrophobicContact CG-CD2 4.18Å; L209-F213 HydrophobicContact CG-CE2 4.19Å; L209-F213 WeakPolarHBondContact O-CD2 3.42Å; L209-F213 PolarHBondContact O-N 3.01Å; L209-F213 VanDerWaalsContact O-N 3.13Å; L209-F324 HydrophobicContact CD1-CE1 4.41Å; L209-F324 HydrophobicContact CD2-CE1 4.37Å; L209-F324 HydrophobicContact CD2-CZ 3.91Å |
| 210 | S | 96.7 | Very high | 96.3 | Very high | 63 Ų | 63 | 91.2 Ų | 91.2 | 44% | 0.441 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 179.6 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | K206 E207 E208 K212 F213 D214 | K206-S210 WeakPolarHBondContact O-CB 3.48Å; K206-S210 PolarHBondContact O-N 3.49Å; K206-S210 PolarHBondContact O-OG 3.45Å; E207-S210 WeakPolarHBondContact O-CB 3.33Å; E207-S210 PolarHBondContact O-N 3.29Å; E207-S210 VanDerWaalsContact O-N 3.16Å; E208-S210 VanDerWaalsContact C-N 3.35Å; S210-K212 VanDerWaalsContact C-N 3.32Å; S210-K212 PolarHBondContact O-N 3.34Å; S210-F213 PolarHBondContact O-N 3.45Å; S210-F213 VanDerWaalsContact O-N 3.13Å; S210-D214 VanDerWaalsContact O-CG 3.29Å; S210-D214 PolarHBondContact O-N 3.24Å |
| 211 | Q | 96.9 | Very high | 96.3 | Very high | 100 Ų | 100 | 90.4 Ų | 90.4 | 47% | 0.467 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.9 | -38.6 | 176.9 | -71.1 | 174.6 | 10.3 | 0 | 0 | 112.9 | E207 E208 L209 D214 T215 | E207-Q211 VanDerWaalsContact O-CG 3.32Å; E207-Q211 WeakPolarHBondContact O-CG 3.32Å; E207-Q211 PolarHBondContact O-N 3.03Å; E208-Q211 PolarHBondContact O-N 2.92Å; L209-Q211 VanDerWaalsContact C-N 3.35Å; L209-Q211 PolarHBondContact O-N 3.35Å; Q211-D214 PolarHBondContact O-N 2.88Å; Q211-T215 PolarHBondContact O-N 3.08Å; Q211-T215 PolarHBondContact O-OG1 3.48Å |
| 212 | K | 94.8 | Very high | 96.3 | Very high | 143 Ų | 143 | 92 Ų | 92 | 62% | 0.622 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 175.1 | -72.8 | 176.4 | -177.4 | 176.4 | 0 | 111.4 | E208 L209 S210 T215 L216 | E208-K212 WeakPolarHBondContact O-CG 3.39Å; E208-K212 PolarHBondContact O-N 2.84Å; L209-K212 PolarHBondContact O-N 3.2Å; S210-K212 VanDerWaalsContact C-N 3.32Å; S210-K212 PolarHBondContact O-N 3.34Å; K212-T215 PolarHBondContact O-N 2.76Å; K212-L216 PolarHBondContact O-N 3.34Å |
| 213 | F | 95.8 | Very high | 96.3 | Very high | 72 Ų | 72 | 94.7 Ų | 94.7 | 32% | 0.316 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.5 | -40.2 | 176.3 | -85.1 | -84.3 | 0 | 0 | 0 | 112.7 | L209 S210 T215 L216 Y217 I322 | L209-F213 HydrophobicContact CD1-CD2 4.06Å; L209-F213 HydrophobicContact CD1-CE2 3.74Å; L209-F213 HydrophobicContact CG-CD2 4.18Å; L209-F213 HydrophobicContact CG-CE2 4.19Å; L209-F213 WeakPolarHBondContact O-CD2 3.42Å; L209-F213 PolarHBondContact O-N 3.01Å; L209-F213 VanDerWaalsContact O-N 3.13Å; S210-F213 PolarHBondContact O-N 3.45Å; S210-F213 VanDerWaalsContact O-N 3.13Å; F213-T215 VanDerWaalsContact C-N 3.25Å; F213-T215 PolarHBondContact O-N 2.83Å; F213-L216 WeakPolarHBondContact O-CB 3.46Å; F213-L216 PolarHBondContact O-N 2.85Å; F213-Y217 HydrophobicContact CB-CE2 4.17Å; F213-Y217 WeakPolarHBondContact O-CD2 3.08Å; F213-Y217 PolarHBondContact O-N 3.46Å; F213-I322 HydrophobicContact CZ-CG2 4.19Å |
| 214 | D | 97.1 | Very high | 96.2 | Very high | 99 Ų | 99 | 94.9 Ų | 94.9 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.9 | -38.5 | 175.7 | -71.1 | -24.5 | 0 | 0 | 0 | 111.7 | S210 Q211 Y217 A218 | S210-D214 VanDerWaalsContact O-CG 3.29Å; S210-D214 PolarHBondContact O-N 3.24Å; Q211-D214 PolarHBondContact O-N 2.88Å; D214-Y217 PolarHBondContact O-N 3.37Å; D214-A218 WeakPolarHBondContact O-CB 3.48Å; D214-A218 PolarHBondContact O-N 2.84Å |
| 215 | T | 96.8 | Very high | 96.2 | Very high | 85 Ų | 85 | 93.4 Ų | 93.4 | 52% | 0.521 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 173.6 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | Q211 K212 F213 A218 I219 | Q211-T215 PolarHBondContact O-N 3.08Å; Q211-T215 PolarHBondContact O-OG1 3.48Å; K212-T215 PolarHBondContact O-N 2.76Å; F213-T215 VanDerWaalsContact C-N 3.25Å; F213-T215 PolarHBondContact O-N 2.83Å; T215-A218 PolarHBondContact O-N 3.37Å; T215-I219 HydrophobicContact CG2-CD1 4.18Å; T215-I219 WeakPolarHBondContact O-CG1 3.45Å; T215-I219 PolarHBondContact O-N 2.84Å; T215-I219 VanDerWaalsContact O-N 3.07Å |
| 216 | L | 95.4 | Very high | 96.3 | Very high | 70 Ų | 70 | 92.1 Ų | 92.1 | 37% | 0.366 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 175.9 | -68.6 | 175.2 | 0 | 0 | 0 | 111.8 | K212 F213 A218 I219 L220 I322 | K212-L216 PolarHBondContact O-N 3.34Å; F213-L216 WeakPolarHBondContact O-CB 3.46Å; F213-L216 PolarHBondContact O-N 2.85Å; L216-A218 VanDerWaalsContact C-N 3.34Å; L216-A218 PolarHBondContact O-N 3.47Å; L216-I219 PolarHBondContact O-N 2.94Å; L216-L220 WeakPolarHBondContact O-CG 3.4Å; L216-L220 PolarHBondContact O-N 2.93Å; L216-I322 HydrophobicContact CD1-CD1 4.45Å |
| 217 | Y | 95.8 | Very high | 96.3 | Very high | 145 Ų | 145 | 88.9 Ų | 88.9 | 57% | 0.569 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.8 | -43.1 | 175 | -69.2 | -48.1 | 0 | 0 | 0 | 111.8 | F213 D214 I219 L220 D221 | F213-Y217 HydrophobicContact CB-CE2 4.17Å; F213-Y217 WeakPolarHBondContact O-CD2 3.08Å; F213-Y217 PolarHBondContact O-N 3.46Å; D214-Y217 PolarHBondContact O-N 3.37Å; Y217-I219 PolarHBondContact O-N 3.48Å; Y217-L220 PolarHBondContact O-N 3.4Å; Y217-D221 WeakPolarHBondContact O-CB 3.37Å; Y217-D221 PolarHBondContact O-N 3.11Å |
| 218 | A | 97.3 | Very high | 96.2 | Very high | 61 Ų | 61 | 89.2 Ų | 89.2 | 50% | 0.504 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | D214 T215 L216 L220 D221 E222 | D214-A218 WeakPolarHBondContact O-CB 3.48Å; D214-A218 PolarHBondContact O-N 2.84Å; T215-A218 PolarHBondContact O-N 3.37Å; L216-A218 VanDerWaalsContact C-N 3.34Å; L216-A218 PolarHBondContact O-N 3.47Å; A218-L220 PolarHBondContact O-N 3.09Å; A218-D221 PolarHBondContact O-N 3.46Å; A218-E222 WeakPolarHBondContact O-CB 3.42Å; A218-E222 PolarHBondContact O-N 3.49Å |
| 219 | I | 96.2 | Very high | 96.3 | Very high | 86 Ų | 86 | 91.8 Ų | 91.8 | 44% | 0.441 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 177.3 | -66.6 | 165.1 | 0 | 0 | 0 | 110.9 | T215 L216 Y217 K223 | T215-I219 HydrophobicContact CG2-CD1 4.18Å; T215-I219 WeakPolarHBondContact O-CG1 3.45Å; T215-I219 PolarHBondContact O-N 2.84Å; T215-I219 VanDerWaalsContact O-N 3.07Å; L216-I219 PolarHBondContact O-N 2.94Å; Y217-I219 PolarHBondContact O-N 3.48Å; I219-K223 WeakPolarHBondContact O-CB 3.46Å; I219-K223 WeakPolarHBondContact O-CG 3.36Å; I219-K223 PolarHBondContact O-N 3.39Å |
| 220 | L | 94.5 | Very high | 96.3 | Very high | 79 Ų | 79 | 95 Ų | 95 | 41% | 0.414 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 178.8 | -73.1 | 173.4 | 0 | 0 | 0 | 111.9 | L216 Y217 A218 K223 K224 | L216-L220 WeakPolarHBondContact O-CG 3.4Å; L216-L220 PolarHBondContact O-N 2.93Å; Y217-L220 PolarHBondContact O-N 3.4Å; A218-L220 PolarHBondContact O-N 3.09Å; L220-K223 PolarHBondContact O-N 3.48Å; L220-K224 WeakPolarHBondContact O-CB 3.3Å; L220-K224 PolarHBondContact O-N 3.47Å |
| 221 | D | 96.6 | Very high | 96.3 | Very high | 93 Ų | 93 | 95 Ų | 95 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.5 | -38.1 | 179.4 | -165.6 | 59.5 | 0 | 0 | 0 | 112.2 | Y217 A218 K224 S225 | Y217-D221 WeakPolarHBondContact O-CB 3.37Å; Y217-D221 PolarHBondContact O-N 3.11Å; A218-D221 PolarHBondContact O-N 3.46Å; D221-K224 PolarHBondContact O-N 3.3Å; D221-S225 WeakPolarHBondContact O-CB 3.27Å; D221-S225 PolarHBondContact O-N 2.77Å; D221-S225 PolarHBondContact O-OG 2.96Å |
| 222 | E | 97.5 | Very high | 96.2 | Very high | 129 Ų | 129 | 93.1 Ų | 93.1 | 60% | 0.603 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60.1 | -48.6 | 171.4 | -175.2 | -178.8 | -174.4 | 0 | 0 | 110.7 | A218 K224 S225 E226 | A218-E222 WeakPolarHBondContact O-CB 3.42Å; A218-E222 PolarHBondContact O-N 3.49Å; E222-K224 PolarHBondContact O-N 2.92Å; E222-S225 PolarHBondContact O-N 3.16Å; E222-E226 WeakPolarHBondContact O-CB 3.45Å; E222-E226 PolarHBondContact O-N 2.88Å |
| 223 | K | 95.6 | Very high | 96.3 | Very high | 107 Ų | 107 | 91.1 Ų | 91.1 | 47% | 0.465 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 178.5 | -74.9 | -71.7 | 155.7 | -155.4 | 0 | 112.6 | I219 L220 E226 L227 | I219-K223 WeakPolarHBondContact O-CB 3.46Å; I219-K223 WeakPolarHBondContact O-CG 3.36Å; I219-K223 PolarHBondContact O-N 3.39Å; L220-K223 PolarHBondContact O-N 3.48Å; K223-E226 IonicContact NZ-OE2 3.81Å; K223-E226 PolarHBondContact NZ-OE2 2.95Å; K223-E226 PolarHBondContact O-N 2.9Å; K223-L227 VanDerWaalsContact O-CG 3.27Å; K223-L227 WeakPolarHBondContact O-CG 3.43Å; K223-L227 PolarHBondContact O-N 2.9Å; K223-L227 VanDerWaalsContact O-N 3.07Å |
| 224 | K | 95.8 | Very high | 96.2 | Very high | 123 Ų | 123 | 90.7 Ų | 90.7 | 54% | 0.535 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 173.5 | 176.6 | -172.7 | 170.2 | -167.4 | 0 | 111.1 | L220 D221 E222 L227 L228 | L220-K224 WeakPolarHBondContact O-CB 3.3Å; L220-K224 PolarHBondContact O-N 3.47Å; D221-K224 PolarHBondContact O-N 3.3Å; E222-K224 PolarHBondContact O-N 2.92Å; K224-L227 PolarHBondContact O-N 3.45Å; K224-L228 HydrophobicContact CG-CD1 4.08Å; K224-L228 WeakPolarHBondContact O-CG 3.28Å; K224-L228 PolarHBondContact O-N 3.39Å |
| 225 | S | 97.5 | Very high | 96.1 | Very high | 59 Ų | 59 | 90.8 Ų | 90.8 | 41% | 0.413 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 179.9 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | D221 E222 L227 L228 Q229 | D221-S225 WeakPolarHBondContact O-CB 3.27Å; D221-S225 PolarHBondContact O-N 2.77Å; D221-S225 PolarHBondContact O-OG 2.96Å; E222-S225 PolarHBondContact O-N 3.16Å; S225-L227 PolarHBondContact O-N 3.45Å; S225-L228 PolarHBondContact O-N 3.49Å; S225-Q229 WeakPolarHBondContact O-CB 3.5Å; S225-Q229 PolarHBondContact O-N 2.9Å |
| 226 | E | 96.9 | Very high | 96 | Very high | 59 Ų | 59 | 92.5 Ų | 92.5 | 28% | 0.276 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 175.1 | -172.3 | -172.5 | 169 | 0 | 0 | 111.7 | E222 K223 Q229 R230 | E222-E226 WeakPolarHBondContact O-CB 3.45Å; E222-E226 PolarHBondContact O-N 2.88Å; K223-E226 IonicContact NZ-OE2 3.81Å; K223-E226 PolarHBondContact NZ-OE2 2.95Å; K223-E226 PolarHBondContact O-N 2.9Å; E226-Q229 PolarHBondContact O-N 3.09Å; E226-R230 WeakPolarHBondContact O-CG 3.49Å; E226-R230 PolarHBondContact O-N 2.96Å; E226-R230 VanDerWaalsContact O-N 3.14Å; E226-R230 IonicContact OE1-CZ 3.57Å; E226-R230 IonicContact OE1-NE 3.82Å; E226-R230 IonicContact OE1-NH2 2.65Å; E226-R230 PolarHBondContact OE1-NH2 3.41Å |
| 227 | L | 95.8 | Very high | 95.9 | Very high | 64 Ų | 64 | 94.3 Ų | 94.3 | 34% | 0.335 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 179.4 | -69 | 173.3 | 0 | 0 | 0 | 112.3 | K223 K224 S225 Q229 R230 I231 L310 | K223-L227 VanDerWaalsContact O-CG 3.27Å; K223-L227 WeakPolarHBondContact O-CG 3.43Å; K223-L227 PolarHBondContact O-N 2.9Å; K223-L227 VanDerWaalsContact O-N 3.07Å; K224-L227 PolarHBondContact O-N 3.45Å; S225-L227 PolarHBondContact O-N 3.45Å; L227-Q229 VanDerWaalsContact C-N 3.33Å; L227-R230 PolarHBondContact O-N 3Å; L227-I231 WeakPolarHBondContact O-CG1 3.44Å; L227-I231 PolarHBondContact O-N 2.88Å; L227-L310 HydrophobicContact CD1-CD1 3.72Å |
| 228 | L | 96.7 | Very high | 95.8 | Very high | 91 Ų | 91 | 88.6 Ų | 88.6 | 48% | 0.476 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 174.8 | -74.1 | 173.2 | 0 | 0 | 0 | 111.3 | K224 S225 R230 I231 T232 | K224-L228 HydrophobicContact CG-CD1 4.08Å; K224-L228 WeakPolarHBondContact O-CG 3.28Å; K224-L228 PolarHBondContact O-N 3.39Å; S225-L228 PolarHBondContact O-N 3.49Å; L228-R230 VanDerWaalsContact C-N 3.3Å; L228-R230 PolarHBondContact O-N 3.48Å; L228-I231 PolarHBondContact O-N 3.14Å; L228-I231 VanDerWaalsContact O-N 3.16Å; L228-T232 PolarHBondContact O-N 3.46Å; L228-T232 PolarHBondContact O-OG1 3.05Å; L228-T232 VanDerWaalsContact O-OG1 3.09Å |
| 229 | Q | 97.1 | Very high | 95.6 | Very high | 136 Ų | 136 | 89.6 Ų | 89.6 | 64% | 0.636 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.5 | -41.3 | 177.8 | -174.3 | 178.3 | 11.5 | 0 | 0 | 111.8 | S225 E226 L227 I231 T232 Q233 | S225-Q229 WeakPolarHBondContact O-CB 3.5Å; S225-Q229 PolarHBondContact O-N 2.9Å; E226-Q229 PolarHBondContact O-N 3.09Å; L227-Q229 VanDerWaalsContact C-N 3.33Å; Q229-I231 VanDerWaalsContact C-N 3.35Å; Q229-I231 PolarHBondContact O-N 3.49Å; Q229-T232 PolarHBondContact O-N 3.33Å; Q229-Q233 WeakPolarHBondContact O-CB 3.42Å; Q229-Q233 PolarHBondContact O-N 3.5Å |
| 230 | R | 96.1 | Very high | 95.5 | Very high | 131 Ų | 131 | 89 Ų | 89 | 49% | 0.494 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 176.2 | -68.2 | 177.4 | -168.2 | -173.3 | 2.2 | 112.5 | E226 L227 L228 Q233 E234 | E226-R230 WeakPolarHBondContact O-CG 3.49Å; E226-R230 PolarHBondContact O-N 2.96Å; E226-R230 VanDerWaalsContact O-N 3.14Å; E226-R230 IonicContact OE1-CZ 3.57Å; E226-R230 IonicContact OE1-NE 3.82Å; E226-R230 IonicContact OE1-NH2 2.65Å; E226-R230 PolarHBondContact OE1-NH2 3.41Å; L227-R230 PolarHBondContact O-N 3Å; L228-R230 VanDerWaalsContact C-N 3.3Å; L228-R230 PolarHBondContact O-N 3.48Å; R230-Q233 PolarHBondContact O-N 3.47Å; R230-E234 PolarHBondContact O-N 3.02Å; R230-E234 VanDerWaalsContact O-N 3.1Å |
| 231 | I | 95.5 | Very high | 95.4 | Very high | 62 Ų | 62 | 89.9 Ų | 89.9 | 32% | 0.318 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 176.6 | -65.5 | 168.7 | 0 | 0 | 0 | 110.2 | L227 L228 Q229 Q233 E234 Q235 M305 F308 | L227-I231 WeakPolarHBondContact O-CG1 3.44Å; L227-I231 PolarHBondContact O-N 2.88Å; L228-I231 PolarHBondContact O-N 3.14Å; L228-I231 VanDerWaalsContact O-N 3.16Å; Q229-I231 VanDerWaalsContact C-N 3.35Å; Q229-I231 PolarHBondContact O-N 3.49Å; I231-Q233 VanDerWaalsContact C-N 3.35Å; I231-Q233 PolarHBondContact O-N 2.86Å; I231-E234 PolarHBondContact O-N 3.46Å; I231-Q235 WeakPolarHBondContact O-CB 3.41Å; I231-Q235 PolarHBondContact O-N 3.49Å; I231-M305 HydrophobicContact CG2-CE 4.29Å; I231-F308 HydrophobicContact CD1-CG 4.43Å; I231-F308 HydrophobicContact CG1-CB 4.48Å; I231-F308 HydrophobicContact CG1-CD1 3.84Å; I231-F308 HydrophobicContact CG1-CD2 4.1Å; I231-F308 HydrophobicContact CG1-CE1 4.01Å; I231-F308 HydrophobicContact CG1-CE2 4.27Å; I231-F308 HydrophobicContact CG1-CG 3.89Å; I231-F308 HydrophobicContact CG1-CZ 4.22Å |
| 232 | T | 95.9 | Very high | 95.2 | Very high | 61 Ų | 61 | 87.8 Ų | 87.8 | 37% | 0.374 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 178.2 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | L228 Q229 Q235 E236 | L228-T232 PolarHBondContact O-N 3.46Å; L228-T232 PolarHBondContact O-OG1 3.05Å; L228-T232 VanDerWaalsContact O-OG1 3.09Å; Q229-T232 PolarHBondContact O-N 3.33Å; T232-Q235 WeakPolarHBondContact O-CB 3.25Å; T232-Q235 PolarHBondContact O-N 3.4Å; T232-E236 HydrophobicContact CG2-CG 4.34Å; T232-E236 WeakPolarHBondContact CG2-OE1 3.23Å; T232-E236 WeakPolarHBondContact O-CB 3.26Å; T232-E236 WeakPolarHBondContact O-CG 3.34Å; T232-E236 PolarHBondContact O-N 3.17Å |
| 233 | Q | 96.1 | Very high | 95 | Very high | 102 Ų | 102 | 87.8 Ų | 87.8 | 48% | 0.477 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 178 | -178 | -179.3 | -4.1 | 0 | 0 | 111.5 | Q229 R230 I231 Q235 E236 E237 | Q229-Q233 WeakPolarHBondContact O-CB 3.42Å; Q229-Q233 PolarHBondContact O-N 3.5Å; R230-Q233 PolarHBondContact O-N 3.47Å; I231-Q233 VanDerWaalsContact C-N 3.35Å; I231-Q233 PolarHBondContact O-N 2.86Å; Q233-Q235 VanDerWaalsContact C-N 3.27Å; Q233-Q235 PolarHBondContact O-N 2.86Å; Q233-E236 PolarHBondContact O-N 3.26Å; Q233-E237 HydrophobicContact CG-CG 4.49Å; Q233-E237 WeakPolarHBondContact CG-OE1 3.3Å; Q233-E237 PolarHBondContact NE2-OE1 3.03Å; Q233-E237 WeakPolarHBondContact O-CG 3.27Å; Q233-E237 PolarHBondContact O-N 3.39Å |
| 234 | E | 93.8 | Very high | 94.8 | Very high | 62 Ų | 62 | 84.8 Ų | 84.8 | 29% | 0.29 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 177.1 | -179.1 | 72.1 | -155.5 | 0 | 0 | 111.2 | R230 I231 K238 M305 F307 F308 | R230-E234 PolarHBondContact O-N 3.02Å; R230-E234 VanDerWaalsContact O-N 3.1Å; I231-E234 PolarHBondContact O-N 3.46Å; E234-K238 WeakPolarHBondContact O-CB 3.44Å; E234-K238 VanDerWaalsContact O-CG 3.3Å; E234-K238 WeakPolarHBondContact O-CG 3.29Å; E234-K238 PolarHBondContact O-N 2.89Å; E234-K238 WeakPolarHBondContact OE1-CE 3.29Å; E234-K238 IonicContact OE1-NZ 3.93Å; E234-M305 HydrophobicContact CB-CE 3.99Å; E234-M305 HydrophobicContact CG-CE 3.75Å; E234-M305 HydrophobicContact CG-SD 3.9Å; E234-F307 HydrophobicContact CG-CZ 4.13Å; E234-F308 HydrophobicContact CB-CE2 4.28Å; E234-F308 HydrophobicContact CB-CZ 4.02Å; E234-F308 HydrophobicContact CG-CE2 4.13Å; E234-F308 HydrophobicContact CG-CZ 4.17Å |
| 235 | Q | 94.9 | Very high | 94.6 | Very high | 102 Ų | 102 | 80 Ų | 80 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 174.6 | -177.7 | -177.4 | 11.8 | 0 | 0 | 111.9 | I231 T232 Q233 K238 L239 M305 | I231-Q235 WeakPolarHBondContact O-CB 3.41Å; I231-Q235 PolarHBondContact O-N 3.49Å; T232-Q235 WeakPolarHBondContact O-CB 3.25Å; T232-Q235 PolarHBondContact O-N 3.4Å; Q233-Q235 VanDerWaalsContact C-N 3.27Å; Q233-Q235 PolarHBondContact O-N 2.86Å; Q235-K238 PolarHBondContact O-N 3.04Å; Q235-L239 HydrophobicContact CG-CD1 3.96Å; Q235-L239 HydrophobicContact CG-CG 4.36Å; Q235-L239 WeakPolarHBondContact O-CB 3.35Å; Q235-L239 VanDerWaalsContact O-CG 3.3Å; Q235-L239 WeakPolarHBondContact O-CG 3.34Å; Q235-L239 PolarHBondContact O-N 3.41Å; Q235-M305 HydrophobicContact CB-CE 4.39Å |
| 236 | E | 95.7 | Very high | 94.3 | Very high | 121 Ų | 121 | 81.3 Ų | 81.3 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.4 | -43.1 | 178.9 | -76.3 | 176.2 | -175.8 | 0 | 0 | 111.7 | T232 Q233 L239 S240 | T232-E236 HydrophobicContact CG2-CG 4.34Å; T232-E236 WeakPolarHBondContact CG2-OE1 3.23Å; T232-E236 WeakPolarHBondContact O-CB 3.26Å; T232-E236 WeakPolarHBondContact O-CG 3.34Å; T232-E236 PolarHBondContact O-N 3.17Å; Q233-E236 PolarHBondContact O-N 3.26Å; E236-L239 PolarHBondContact O-N 3.5Å; E236-S240 WeakPolarHBondContact O-CB 3.22Å; E236-S240 PolarHBondContact O-N 3.09Å |
| 237 | E | 93.4 | Very high | 94.1 | Very high | 107 Ų | 107 | 83.7 Ų | 83.7 | 50% | 0.5 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 176.4 | -72.4 | 178.2 | -165.6 | 0 | 0 | 111.2 | Q233 S240 F241 | Q233-E237 HydrophobicContact CG-CG 4.49Å; Q233-E237 WeakPolarHBondContact CG-OE1 3.3Å; Q233-E237 PolarHBondContact NE2-OE1 3.03Å; Q233-E237 WeakPolarHBondContact O-CG 3.27Å; Q233-E237 PolarHBondContact O-N 3.39Å; E237-S240 PolarHBondContact O-N 2.88Å; E237-F241 WeakPolarHBondContact O-CB 3.22Å; E237-F241 PolarHBondContact O-N 3.05Å |
| 238 | K | 92.1 | Very high | 93.8 | Very high | 25 Ų | 25 | 85.3 Ų | 85.3 | 11% | 0.109 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 176.1 | -73.4 | -176.4 | -179.1 | -169.4 | 0 | 112.8 | E234 Q235 F241 I242 F302 N304 M305 | E234-K238 WeakPolarHBondContact O-CB 3.44Å; E234-K238 VanDerWaalsContact O-CG 3.3Å; E234-K238 WeakPolarHBondContact O-CG 3.29Å; E234-K238 PolarHBondContact O-N 2.89Å; E234-K238 WeakPolarHBondContact OE1-CE 3.29Å; E234-K238 IonicContact OE1-NZ 3.93Å; Q235-K238 PolarHBondContact O-N 3.04Å; K238-F241 PolarHBondContact O-N 3.08Å; K238-I242 WeakPolarHBondContact O-CG1 3.45Å; K238-I242 PolarHBondContact O-N 2.92Å; K238-F302 HydrophobicContact CB-CE1 3.71Å; K238-F302 HydrophobicContact CB-CZ 3.89Å; K238-F302 HydrophobicContact CD-CE1 4.36Å; K238-F302 WeakPolarHBondContact CD-O 3.1Å; K238-F302 VanDerWaalsContact CE-O 3.27Å; K238-F302 WeakPolarHBondContact CE-O 3.43Å; K238-F302 HydrophobicContact CG-CE1 3.83Å; K238-F302 HydrophobicContact CG-CE2 4.27Å; K238-F302 HydrophobicContact CG-CZ 3.68Å; K238-F302 PolarHBondContact NZ-O 3.27Å; K238-N304 PolarHBondContact NZ-O 3.24Å; K238-M305 HydrophobicContact CD-SD 3.95Å; K238-M305 PolarHBondContact NZ-SD 3.13Å |
| 239 | L | 93.5 | Very high | 93.4 | Very high | 82 Ų | 82 | 85.8 Ų | 85.8 | 43% | 0.429 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 177.8 | -75 | 176.1 | 0 | 0 | 0 | 110.9 | Q235 E236 F241 I242 E243 | Q235-L239 HydrophobicContact CG-CD1 3.96Å; Q235-L239 HydrophobicContact CG-CG 4.36Å; Q235-L239 WeakPolarHBondContact O-CB 3.35Å; Q235-L239 VanDerWaalsContact O-CG 3.3Å; Q235-L239 WeakPolarHBondContact O-CG 3.34Å; Q235-L239 PolarHBondContact O-N 3.41Å; E236-L239 PolarHBondContact O-N 3.5Å; L239-F241 VanDerWaalsContact C-N 3.28Å; L239-F241 PolarHBondContact O-N 2.74Å; L239-I242 PolarHBondContact O-N 2.77Å; L239-I242 VanDerWaalsContact O-N 3.1Å; L239-E243 WeakPolarHBondContact O-CB 3.37Å; L239-E243 WeakPolarHBondContact O-CG 3.37Å; L239-E243 PolarHBondContact O-N 2.97Å |
| 240 | S | 94.6 | Very high | 93.1 | Very high | 75 Ų | 75 | 85 Ų | 85 | 52% | 0.524 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.8 | -42 | 177.7 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | E236 E237 A244 | E236-S240 WeakPolarHBondContact O-CB 3.22Å; E236-S240 PolarHBondContact O-N 3.09Å; E237-S240 PolarHBondContact O-N 2.88Å; S240-A244 VanDerWaalsContact O-CB 3.31Å; S240-A244 WeakPolarHBondContact O-CB 3.39Å; S240-A244 PolarHBondContact O-N 3.17Å |
| 241 | F | 92.8 | Very high | 92.9 | Very high | 97 Ų | 97 | 83.1 Ų | 83.1 | 43% | 0.425 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 174.8 | 179.1 | -99 | 0 | 0 | 0 | 112.4 | E237 K238 L239 A244 L245 T298 F302 | E237-F241 WeakPolarHBondContact O-CB 3.22Å; E237-F241 PolarHBondContact O-N 3.05Å; K238-F241 PolarHBondContact O-N 3.08Å; L239-F241 VanDerWaalsContact C-N 3.28Å; L239-F241 PolarHBondContact O-N 2.74Å; F241-A244 PolarHBondContact O-N 3.31Å; F241-L245 WeakPolarHBondContact O-CB 3.48Å; F241-L245 PolarHBondContact O-N 2.79Å; F241-T298 HydrophobicContact CE1-CG2 4.13Å; F241-F302 HydrophobicContact CB-CZ 4.19Å; F241-F302 HydrophobicContact CD1-CE1 4.06Å; F241-F302 HydrophobicContact CD1-CE2 4.18Å; F241-F302 AromaticContact CD1-CZ 3.6Å; F241-F302 HydrophobicContact CD1-CZ 3.6Å; F241-F302 HydrophobicContact CE1-CZ 4.37Å; F241-F302 HydrophobicContact CG-CZ 4.16Å |
| 242 | I | 91.4 | Very high | 92.5 | Very high | 49 Ų | 49 | 82.9 Ų | 82.9 | 25% | 0.251 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 178.9 | -68.9 | 166.2 | 0 | 0 | 0 | 110.8 | K238 L239 L245 I246 T298 F302 | K238-I242 WeakPolarHBondContact O-CG1 3.45Å; K238-I242 PolarHBondContact O-N 2.92Å; L239-I242 PolarHBondContact O-N 2.77Å; L239-I242 VanDerWaalsContact O-N 3.1Å; I242-L245 WeakPolarHBondContact O-CB 3.27Å; I242-L245 PolarHBondContact O-N 3.48Å; I242-I246 HydrophobicContact CG2-CD1 3.84Å; I242-I246 HydrophobicContact CG2-CG1 4.39Å; I242-I246 WeakPolarHBondContact O-CG1 3.22Å; I242-I246 PolarHBondContact O-N 2.95Å; I242-T298 HydrophobicContact CG1-CG2 4.37Å; I242-F302 HydrophobicContact CD1-CD1 4.06Å; I242-F302 HydrophobicContact CD1-CE1 3.79Å; I242-F302 HydrophobicContact CG1-CD1 4.31Å; I242-F302 HydrophobicContact CG1-CE1 3.81Å |
| 243 | E | 93.4 | Very high | 92.2 | Very high | 128 Ų | 128 | 85.4 Ų | 85.4 | 60% | 0.598 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.3 | -44.8 | 178.4 | -73.8 | 178.5 | 163.4 | 0 | 0 | 111.5 | L239 L245 I246 Q247 | L239-E243 WeakPolarHBondContact O-CB 3.37Å; L239-E243 WeakPolarHBondContact O-CG 3.37Å; L239-E243 PolarHBondContact O-N 2.97Å; E243-L245 VanDerWaalsContact C-N 3.28Å; E243-L245 PolarHBondContact O-N 3.45Å; E243-I246 PolarHBondContact O-N 3.01Å; E243-Q247 PolarHBondContact O-N 2.93Å |
| 244 | A | 92.3 | Very high | 92 | Very high | 45 Ų | 45 | 84.1 Ų | 84.1 | 37% | 0.372 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | S240 F241 Q247 Q248 | S240-A244 VanDerWaalsContact O-CB 3.31Å; S240-A244 WeakPolarHBondContact O-CB 3.39Å; S240-A244 PolarHBondContact O-N 3.17Å; F241-A244 PolarHBondContact O-N 3.31Å; A244-Q247 PolarHBondContact O-N 2.71Å; A244-Q248 WeakPolarHBondContact O-CG 3.38Å; A244-Q248 PolarHBondContact O-N 3.09Å |
| 245 | L | 91.6 | Very high | 91.8 | Very high | 22 Ų | 22 | 87.4 Ų | 87.4 | 12% | 0.115 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 176.9 | -170.3 | 62 | 0 | 0 | 0 | 111.4 | F241 I242 E243 Q247 Q248 Y249 G296 T298 | F241-L245 WeakPolarHBondContact O-CB 3.48Å; F241-L245 PolarHBondContact O-N 2.79Å; I242-L245 WeakPolarHBondContact O-CB 3.27Å; I242-L245 PolarHBondContact O-N 3.48Å; E243-L245 VanDerWaalsContact C-N 3.28Å; E243-L245 PolarHBondContact O-N 3.45Å; L245-Q247 VanDerWaalsContact C-N 3.3Å; L245-Q247 PolarHBondContact O-N 2.89Å; L245-Q248 WeakPolarHBondContact O-CB 3.32Å; L245-Q248 PolarHBondContact O-N 3.36Å; L245-Y249 HydrophobicContact CD1-CD2 4.13Å; L245-Y249 HydrophobicContact CD1-CE2 3.69Å; L245-Y249 HydrophobicContact CD2-CE2 4.19Å; L245-Y249 HydrophobicContact CG-CD2 3.93Å; L245-Y249 HydrophobicContact CG-CE2 3.69Å; L245-Y249 VanDerWaalsContact O-CD2 3.24Å; L245-Y249 WeakPolarHBondContact O-CD2 3.42Å; L245-Y249 PolarHBondContact O-N 2.94Å; L245-G296 WeakPolarHBondContact CD1-O 3.48Å; L245-T298 HydrophobicContact CD2-CG2 4.28Å |
| 246 | I | 90.4 | Very high | 91.5 | Very high | 87 Ų | 87 | 85.1 Ų | 85.1 | 45% | 0.446 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.1 | -45.5 | 175.1 | -70.7 | 168.8 | 0 | 0 | 0 | 110.4 | I242 E243 Q248 Y249 Q250 | I242-I246 HydrophobicContact CG2-CD1 3.84Å; I242-I246 HydrophobicContact CG2-CG1 4.39Å; I242-I246 WeakPolarHBondContact O-CG1 3.22Å; I242-I246 PolarHBondContact O-N 2.95Å; E243-I246 PolarHBondContact O-N 3.01Å; I246-Q248 VanDerWaalsContact C-N 3.33Å; I246-Q248 PolarHBondContact O-N 2.81Å; I246-Y249 PolarHBondContact O-N 3.07Å; I246-Q250 HydrophobicContact CG2-CG 4.23Å; I246-Q250 WeakPolarHBondContact O-CB 3.43Å; I246-Q250 WeakPolarHBondContact O-CG 3.4Å; I246-Q250 PolarHBondContact O-N 3.23Å |
| 247 | Q | 93.1 | Very high | 91.3 | Very high | 109 Ų | 109 | 82.2 Ų | 82.2 | 51% | 0.509 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 178.1 | -173.5 | -179.1 | -9.6 | 0 | 0 | 111.5 | E243 A244 L245 Y249 Q250 E251 | E243-Q247 PolarHBondContact O-N 2.93Å; A244-Q247 PolarHBondContact O-N 2.71Å; L245-Q247 VanDerWaalsContact C-N 3.3Å; L245-Q247 PolarHBondContact O-N 2.89Å; Q247-Y249 PolarHBondContact O-N 2.64Å; Q247-Q250 PolarHBondContact O-N 2.94Å; Q247-E251 PolarHBondContact NE2-OE1 3.41Å; Q247-E251 WeakPolarHBondContact O-CG 3.34Å; Q247-E251 PolarHBondContact O-N 3.2Å |
| 248 | Q | 90.1 | Very high | 91.3 | Very high | 98 Ų | 98 | 82.2 Ų | 82.2 | 46% | 0.458 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 176.2 | -71.7 | 178.1 | 11.4 | 0 | 0 | 112.5 | A244 L245 I246 E251 Q252 L295 | A244-Q248 WeakPolarHBondContact O-CG 3.38Å; A244-Q248 PolarHBondContact O-N 3.09Å; L245-Q248 WeakPolarHBondContact O-CB 3.32Å; L245-Q248 PolarHBondContact O-N 3.36Å; I246-Q248 VanDerWaalsContact C-N 3.33Å; I246-Q248 PolarHBondContact O-N 2.81Å; Q248-E251 PolarHBondContact O-N 2.83Å; Q248-Q252 PolarHBondContact O-N 2.92Å; Q248-L295 HydrophobicContact CB-CD2 4.27Å |
| 249 | Y | 88 | Confident | 91.2 | Very high | 101 Ų | 101 | 83.5 Ų | 83.5 | 40% | 0.396 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 175.8 | -82.8 | -79.3 | 0 | 0 | 0 | 111.8 | L245 I246 Q247 Q252 L253 L295 G296 | L245-Y249 HydrophobicContact CD1-CD2 4.13Å; L245-Y249 HydrophobicContact CD1-CE2 3.69Å; L245-Y249 HydrophobicContact CD2-CE2 4.19Å; L245-Y249 HydrophobicContact CG-CD2 3.93Å; L245-Y249 HydrophobicContact CG-CE2 3.69Å; L245-Y249 VanDerWaalsContact O-CD2 3.24Å; L245-Y249 WeakPolarHBondContact O-CD2 3.42Å; L245-Y249 PolarHBondContact O-N 2.94Å; I246-Y249 PolarHBondContact O-N 3.07Å; Q247-Y249 PolarHBondContact O-N 2.64Å; Y249-Q252 PolarHBondContact O-N 2.89Å; Y249-L253 WeakPolarHBondContact O-CB 3.46Å; Y249-L253 PolarHBondContact O-N 2.98Å; Y249-L295 HydrophobicContact CD1-CD1 3.24Å; Y249-L295 HydrophobicContact CD2-CD1 3.98Å; Y249-L295 HydrophobicContact CE1-CB 3.83Å; Y249-L295 HydrophobicContact CE1-CD1 3.27Å; Y249-L295 HydrophobicContact CE1-CG 4.17Å; Y249-L295 HydrophobicContact CE2-CB 3.94Å; Y249-L295 HydrophobicContact CE2-CD1 3.98Å; Y249-L295 HydrophobicContact CG-CD1 3.6Å; Y249-L295 VanDerWaalsContact CZ-CB 3.43Å; Y249-L295 VanDerWaalsContact OH-CB 3.31Å; Y249-L295 WeakPolarHBondContact OH-CB 3.34Å; Y249-G296 PolarHBondContact OH-O 3Å; Y249-G296 VanDerWaalsContact OH-O 3.07Å |
| 250 | Q | 91.4 | Very high | 91 | Very high | 120 Ų | 120 | 83.2 Ų | 83.2 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.5 | -43.9 | 176.4 | -75.4 | 177.8 | -20 | 0 | 0 | 112.2 | I246 Q247 Q252 L253 D254 | I246-Q250 HydrophobicContact CG2-CG 4.23Å; I246-Q250 WeakPolarHBondContact O-CB 3.43Å; I246-Q250 WeakPolarHBondContact O-CG 3.4Å; I246-Q250 PolarHBondContact O-N 3.23Å; Q247-Q250 PolarHBondContact O-N 2.94Å; Q250-Q252 VanDerWaalsContact C-N 3.34Å; Q250-Q252 PolarHBondContact O-N 3.24Å; Q250-L253 PolarHBondContact O-N 3.36Å; Q250-D254 WeakPolarHBondContact O-CB 2.93Å; Q250-D254 PolarHBondContact O-N 3.14Å |
| 251 | E | 90.8 | Very high | 90.9 | Very high | 90 Ų | 90 | 84.5 Ų | 84.5 | 42% | 0.421 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 176.6 | -75.2 | 179.4 | -164.8 | 0 | 0 | 112.3 | Q247 Q248 K255 | Q247-E251 PolarHBondContact NE2-OE1 3.41Å; Q247-E251 WeakPolarHBondContact O-CG 3.34Å; Q247-E251 PolarHBondContact O-N 3.2Å; Q248-E251 PolarHBondContact O-N 2.83Å; E251-K255 VanDerWaalsContact O-CG 3.29Å; E251-K255 WeakPolarHBondContact O-CG 3.46Å; E251-K255 PolarHBondContact O-N 3.46Å; E251-K255 VanDerWaalsContact O-N 3.09Å |
| 252 | Q | 87.3 | Confident | 90.8 | Very high | 58 Ų | 58 | 83 Ų | 83 | 27% | 0.271 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 174 | -171.6 | -165.5 | -19.8 | 0 | 0 | 111.1 | Q248 Y249 Q250 K255 S256 C293 | Q248-Q252 PolarHBondContact O-N 2.92Å; Y249-Q252 PolarHBondContact O-N 2.89Å; Q250-Q252 VanDerWaalsContact C-N 3.34Å; Q250-Q252 PolarHBondContact O-N 3.24Å; Q252-K255 PolarHBondContact O-N 3.31Å; Q252-S256 PolarHBondContact O-N 2.79Å; Q252-C293 PolarHBondContact NE2-SG 3.08Å; Q252-C293 VanDerWaalsContact OE1-CB 3.26Å |
| 253 | L | 89.1 | Confident | 90.7 | Very high | 113 Ų | 113 | 81.6 Ų | 81.6 | 59% | 0.592 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.4 | -46.1 | 178.1 | -176.5 | 63.8 | 0 | 0 | 0 | 111 | Y249 Q250 K255 S256 T257 | Y249-L253 WeakPolarHBondContact O-CB 3.46Å; Y249-L253 PolarHBondContact O-N 2.98Å; Q250-L253 PolarHBondContact O-N 3.36Å; L253-K255 PolarHBondContact O-N 3.27Å; L253-S256 WeakPolarHBondContact O-CB 3.46Å; L253-S256 PolarHBondContact O-N 2.96Å; L253-S256 VanDerWaalsContact O-N 3.12Å; L253-T257 PolarHBondContact O-N 3.43Å; L253-T257 PolarHBondContact O-OG1 3.5Å |
| 254 | D | 92.3 | Very high | 90.5 | Very high | 76 Ų | 76 | 79.8 Ų | 79.8 | 41% | 0.406 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 176.8 | 178.4 | 67.6 | 0 | 0 | 0 | 112.1 | Q250 S256 T257 K258 | Q250-D254 WeakPolarHBondContact O-CB 2.93Å; Q250-D254 PolarHBondContact O-N 3.14Å; D254-S256 VanDerWaalsContact C-N 3.32Å; D254-S256 PolarHBondContact O-N 3.39Å; D254-T257 PolarHBondContact O-N 2.93Å; D254-K258 WeakPolarHBondContact O-CG 3.17Å; D254-K258 PolarHBondContact O-N 2.86Å; D254-K258 WeakPolarHBondContact OD1-CE 3.25Å; D254-K258 IonicContact OD1-NZ 3.63Å; D254-K258 WeakPolarHBondContact OD2-CE 3.45Å; D254-K258 IonicContact OD2-NZ 2.66Å; D254-K258 PolarHBondContact OD2-NZ 3Å |
| 255 | K | 89.2 | Confident | 90.3 | Very high | 131 Ų | 131 | 83.8 Ų | 83.8 | 57% | 0.57 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -58.1 | -43.7 | 173.2 | -72.6 | 167 | -173.3 | 163.6 | 0 | 111.8 | E251 Q252 L253 L259 | E251-K255 VanDerWaalsContact O-CG 3.29Å; E251-K255 WeakPolarHBondContact O-CG 3.46Å; E251-K255 PolarHBondContact O-N 3.46Å; E251-K255 VanDerWaalsContact O-N 3.09Å; Q252-K255 PolarHBondContact O-N 3.31Å; L253-K255 PolarHBondContact O-N 3.27Å; K255-L259 WeakPolarHBondContact O-CG 3.45Å; K255-L259 PolarHBondContact O-N 3.06Å; K255-L259 VanDerWaalsContact O-N 3.08Å |
| 256 | S | 88.9 | Confident | 90.1 | Very high | 53 Ų | 53 | 83.3 Ų | 83.3 | 37% | 0.371 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66 | -42 | 177.3 | -168 | 0 | 0 | 0 | 0 | 111.8 | Q252 L253 D254 L259 V260 | Q252-S256 PolarHBondContact O-N 2.79Å; L253-S256 WeakPolarHBondContact O-CB 3.46Å; L253-S256 PolarHBondContact O-N 2.96Å; L253-S256 VanDerWaalsContact O-N 3.12Å; D254-S256 VanDerWaalsContact C-N 3.32Å; D254-S256 PolarHBondContact O-N 3.39Å; S256-L259 WeakPolarHBondContact O-CB 3.48Å; S256-L259 PolarHBondContact O-N 3.3Å; S256-V260 WeakPolarHBondContact O-CG2 3.41Å; S256-V260 PolarHBondContact O-N 3.34Å |
| 257 | T | 92 | Very high | 89.9 | Confident | 60 Ų | 60 | 85.1 Ų | 85.1 | 37% | 0.368 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 178.7 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | L253 D254 L259 V260 E261 | L253-T257 PolarHBondContact O-N 3.43Å; L253-T257 PolarHBondContact O-OG1 3.5Å; D254-T257 PolarHBondContact O-N 2.93Å; T257-L259 VanDerWaalsContact C-N 3.34Å; T257-L259 PolarHBondContact O-N 3.05Å; T257-V260 WeakPolarHBondContact O-CB 3.48Å; T257-V260 PolarHBondContact O-N 3.16Å; T257-V260 VanDerWaalsContact O-N 3.11Å; T257-E261 WeakPolarHBondContact O-CG 3.24Å; T257-E261 PolarHBondContact O-N 2.83Å |
| 258 | K | 92.6 | Very high | 89.7 | Confident | 107 Ų | 107 | 86.1 Ų | 86.1 | 47% | 0.465 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 175.3 | -73.7 | 170.8 | 177.8 | 164.3 | 0 | 113 | D254 V260 E261 T262 | D254-K258 WeakPolarHBondContact O-CG 3.17Å; D254-K258 PolarHBondContact O-N 2.86Å; D254-K258 WeakPolarHBondContact OD1-CE 3.25Å; D254-K258 IonicContact OD1-NZ 3.63Å; D254-K258 WeakPolarHBondContact OD2-CE 3.45Å; D254-K258 IonicContact OD2-NZ 2.66Å; D254-K258 PolarHBondContact OD2-NZ 3Å; K258-V260 VanDerWaalsContact C-N 3.33Å; K258-E261 PolarHBondContact O-N 2.87Å; K258-T262 WeakPolarHBondContact O-CB 3.29Å; K258-T262 PolarHBondContact O-N 3.06Å; K258-T262 PolarHBondContact O-OG1 3Å |
| 259 | L | 90.5 | Very high | 89.4 | Confident | 53 Ų | 53 | 85.8 Ų | 85.8 | 28% | 0.277 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 174.1 | -78.6 | 172.4 | 0 | 0 | 0 | 111.6 | K255 S256 T257 A263 A289 | K255-L259 WeakPolarHBondContact O-CG 3.45Å; K255-L259 PolarHBondContact O-N 3.06Å; K255-L259 VanDerWaalsContact O-N 3.08Å; S256-L259 WeakPolarHBondContact O-CB 3.48Å; S256-L259 PolarHBondContact O-N 3.3Å; T257-L259 VanDerWaalsContact C-N 3.34Å; T257-L259 PolarHBondContact O-N 3.05Å; L259-A263 WeakPolarHBondContact O-CB 3.31Å; L259-A263 PolarHBondContact O-N 3.38Å; L259-A289 HydrophobicContact CD1-CB 3.99Å |
| 260 | V | 90.3 | Very high | 89 | Confident | 75 Ų | 75 | 87.3 Ų | 87.3 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.1 | -46.2 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | S256 T257 K258 T262 A263 I264 | S256-V260 WeakPolarHBondContact O-CG2 3.41Å; S256-V260 PolarHBondContact O-N 3.34Å; T257-V260 WeakPolarHBondContact O-CB 3.48Å; T257-V260 PolarHBondContact O-N 3.16Å; T257-V260 VanDerWaalsContact O-N 3.11Å; K258-V260 VanDerWaalsContact C-N 3.33Å; V260-T262 VanDerWaalsContact C-N 3.35Å; V260-T262 PolarHBondContact O-N 3.36Å; V260-A263 WeakPolarHBondContact O-CB 3.46Å; V260-A263 PolarHBondContact O-N 3.23Å; V260-A263 VanDerWaalsContact O-N 3.1Å; V260-I264 HydrophobicContact CG1-CD1 3.91Å; V260-I264 HydrophobicContact CG1-CG1 4.49Å; V260-I264 WeakPolarHBondContact O-CG1 3.3Å; V260-I264 PolarHBondContact O-N 3.45Å |
| 261 | E | 92.4 | Very high | 88.7 | Confident | 103 Ų | 103 | 82.9 Ų | 82.9 | 48% | 0.481 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 176.5 | -72.2 | 175.2 | 177.8 | 0 | 0 | 111.9 | T257 K258 A263 I264 Q265 | T257-E261 WeakPolarHBondContact O-CG 3.24Å; T257-E261 PolarHBondContact O-N 2.83Å; K258-E261 PolarHBondContact O-N 2.87Å; E261-A263 VanDerWaalsContact C-N 3.26Å; E261-A263 PolarHBondContact O-N 3.16Å; E261-I264 PolarHBondContact O-N 3.37Å; E261-Q265 WeakPolarHBondContact O-CG 3.48Å; E261-Q265 PolarHBondContact O-N 3.35Å |
| 262 | T | 90 | Very high | 88.3 | Confident | 64 Ų | 64 | 81 Ų | 81 | 39% | 0.393 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.7 | -35.8 | 176.3 | -50.9 | 0 | 0 | 0 | 0 | 111.1 | K258 V260 S266 L282 | K258-T262 WeakPolarHBondContact O-CB 3.29Å; K258-T262 PolarHBondContact O-N 3.06Å; K258-T262 PolarHBondContact O-OG1 3Å; V260-T262 VanDerWaalsContact C-N 3.35Å; V260-T262 PolarHBondContact O-N 3.36Å; T262-S266 WeakPolarHBondContact O-CB 3.14Å; T262-S266 PolarHBondContact O-N 3.35Å; T262-L282 HydrophobicContact CG2-CD1 3.95Å; T262-L282 HydrophobicContact CG2-CD2 4.49Å |
| 263 | A | 88.4 | Confident | 88 | Confident | 20 Ų | 20 | 81.8 Ų | 81.8 | 17% | 0.165 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L259 V260 E261 S266 L267 L282 I286 | L259-A263 WeakPolarHBondContact O-CB 3.31Å; L259-A263 PolarHBondContact O-N 3.38Å; V260-A263 WeakPolarHBondContact O-CB 3.46Å; V260-A263 PolarHBondContact O-N 3.23Å; V260-A263 VanDerWaalsContact O-N 3.1Å; E261-A263 VanDerWaalsContact C-N 3.26Å; E261-A263 PolarHBondContact O-N 3.16Å; A263-S266 PolarHBondContact O-N 3.34Å; A263-L267 VanDerWaalsContact O-CG 3.32Å; A263-L267 WeakPolarHBondContact O-CG 3.3Å; A263-L267 PolarHBondContact O-N 3.32Å; A263-L282 HydrophobicContact CB-CD2 3.56Å; A263-I286 HydrophobicContact CB-CD1 3.77Å |
| 264 | I | 89.4 | Confident | 87.7 | Confident | 90 Ų | 90 | 79.9 Ų | 79.9 | 46% | 0.462 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 176.6 | -64.9 | 166.3 | 0 | 0 | 0 | 110.3 | V260 E261 S266 L267 D268 | V260-I264 HydrophobicContact CG1-CD1 3.91Å; V260-I264 HydrophobicContact CG1-CG1 4.49Å; V260-I264 WeakPolarHBondContact O-CG1 3.3Å; V260-I264 PolarHBondContact O-N 3.45Å; E261-I264 PolarHBondContact O-N 3.37Å; I264-S266 VanDerWaalsContact C-N 3.28Å; I264-S266 PolarHBondContact O-N 2.98Å; I264-L267 WeakPolarHBondContact O-CB 3.45Å; I264-L267 PolarHBondContact O-N 3.21Å; I264-D268 PolarHBondContact O-N 3.32Å |
| 265 | Q | 88.9 | Confident | 87.5 | Confident | 130 Ų | 130 | 79.2 Ų | 79.2 | 61% | 0.607 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -58.2 | -41.3 | 176.9 | -71.9 | 172.9 | 16.6 | 0 | 0 | 112.2 | E261 L267 D268 | E261-Q265 WeakPolarHBondContact O-CG 3.48Å; E261-Q265 PolarHBondContact O-N 3.35Å; Q265-L267 VanDerWaalsContact C-N 3.28Å; Q265-L267 PolarHBondContact O-N 3.02Å; Q265-D268 PolarHBondContact O-N 2.94Å |
| 266 | S | 87.4 | Confident | 87.3 | Confident | 12 Ų | 12 | 79 Ų | 79 | 8% | 0.084 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -66.5 | -28.6 | 175.8 | -174 | 0 | 0 | 0 | 0 | 112.8 | T262 A263 I264 D268 E269 F275 | T262-S266 WeakPolarHBondContact O-CB 3.14Å; T262-S266 PolarHBondContact O-N 3.35Å; A263-S266 PolarHBondContact O-N 3.34Å; I264-S266 VanDerWaalsContact C-N 3.28Å; I264-S266 PolarHBondContact O-N 2.98Å; S266-D268 VanDerWaalsContact C-N 3.33Å; S266-E269 VanDerWaalsContact O-CB 3.29Å; S266-E269 WeakPolarHBondContact O-CB 3.38Å; S266-E269 PolarHBondContact O-N 3.02Å; S266-F275 WeakPolarHBondContact O-CD2 3.38Å |
| 267 | L | 85.9 | Confident | 87 | Confident | 124 Ų | 124 | 83.3 Ų | 83.3 | 65% | 0.649 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -71.7 | -27.9 | 176.2 | -72.2 | 168.7 | 0 | 0 | 0 | 112.5 | A263 I264 Q265 E269 F275 | A263-L267 VanDerWaalsContact O-CG 3.32Å; A263-L267 WeakPolarHBondContact O-CG 3.3Å; A263-L267 PolarHBondContact O-N 3.32Å; I264-L267 WeakPolarHBondContact O-CB 3.45Å; I264-L267 PolarHBondContact O-N 3.21Å; Q265-L267 VanDerWaalsContact C-N 3.28Å; Q265-L267 PolarHBondContact O-N 3.02Å; L267-E269 VanDerWaalsContact C-N 3.28Å; L267-E269 PolarHBondContact O-N 2.82Å; L267-F275 HydrophobicContact CD2-CE2 4.16Å; L267-F275 HydrophobicContact CD2-CZ 4.32Å |
| 268 | D | 87.8 | Confident | 86.6 | Confident | 131 Ų | 131 | 83.5 Ų | 83.5 | 70% | 0.701 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 0.7 | 177.1 | -68.3 | -29.3 | 0 | 0 | 0 | 113.2 | I264 Q265 S266 P270 | I264-D268 PolarHBondContact O-N 3.32Å; Q265-D268 PolarHBondContact O-N 2.94Å; S266-D268 VanDerWaalsContact C-N 3.33Å; D268-P270 WeakPolarHBondContact O-CD 3.28Å |
| 269 | E | 84.8 | Confident | 86.4 | Confident | 90 Ų | 90 | 78.9 Ų | 78.9 | 42% | 0.421 | 46% | 0.456 | S | S | . | . | trans | -68.1 | 120 | -178.6 | -167.7 | 91.6 | -162.4 | 0 | 0 | 111.5 | S266 L267 G271 | S266-E269 VanDerWaalsContact O-CB 3.29Å; S266-E269 WeakPolarHBondContact O-CB 3.38Å; S266-E269 PolarHBondContact O-N 3.02Å; L267-E269 VanDerWaalsContact C-N 3.28Å; L267-E269 PolarHBondContact O-N 2.82Å; E269-G271 VanDerWaalsContact C-N 3.28Å; E269-G271 PolarHBondContact O-N 2.78Å | ||
| 270 | P | 79.1 | Confident | 86.2 | Confident | 133 Ų | 133 | 84.7 Ų | 84.7 | 86% | 0.864 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -74.4 | -15.5 | -174.8 | 28.2 | -34.2 | 0 | 0 | 0 | 114 | D268 | D268-P270 WeakPolarHBondContact O-CD 3.28Š|
| 271 | G | 84.9 | Confident | 86 | Confident | 27 Ų | 27 | 86.7 Ų | 86.7 | 28% | 0.278 | 48% | 0.484 | S | S | . | . | trans | -97.3 | 104.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E269 A273 T274 F275 | E269-G271 VanDerWaalsContact C-N 3.28Å; E269-G271 PolarHBondContact O-N 2.78Å; G271-A273 VanDerWaalsContact C-N 3.3Å; G271-A273 PolarHBondContact O-N 2.94Å; G271-T274 PolarHBondContact O-N 2.89Å; G271-T274 VanDerWaalsContact O-N 3.12Å; G271-F275 PolarHBondContact O-N 2.9Å | ||
| 272 | G | 82.4 | Confident | 85.8 | Confident | 50 Ų | 50 | 83.3 Ų | 83.3 | 52% | 0.515 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.5 | -31.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | L276 | G272-L276 VanDerWaalsContact O-CG 3.27Å; G272-L276 WeakPolarHBondContact O-CG 3.39Å; G272-L276 PolarHBondContact O-N 3.44Å; G272-L276 VanDerWaalsContact O-N 3.15Å |
| 273 | A | 82.4 | Confident | 85.8 | Confident | 75 Ų | 75 | 85.3 Ų | 85.3 | 62% | 0.62 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -72.2 | -40.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G271 L276 L277 | G271-A273 VanDerWaalsContact C-N 3.3Å; G271-A273 PolarHBondContact O-N 2.94Å; A273-L276 PolarHBondContact O-N 3.33Å; A273-L277 WeakPolarHBondContact O-CG 3.2Å; A273-L277 PolarHBondContact O-N 2.86Å |
| 274 | T | 81.4 | Confident | 85.7 | Confident | 73 Ų | 73 | 89.8 Ų | 89.8 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 176.5 | -44.2 | 0 | 0 | 0 | 0 | 110.7 | G271 L276 L277 T278 | G271-T274 PolarHBondContact O-N 2.89Å; G271-T274 VanDerWaalsContact O-N 3.12Å; T274-L276 PolarHBondContact O-N 3.3Å; T274-L277 PolarHBondContact O-N 3.46Å; T274-T278 PolarHBondContact O-N 3.18Å; T274-T278 PolarHBondContact O-OG1 3.47Å |
| 275 | F | 88.4 | Confident | 85.6 | Confident | 63 Ų | 63 | 87.1 Ų | 87.1 | 28% | 0.276 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57 | -48.9 | 173.6 | 173.3 | -105.7 | 0 | 0 | 0 | 112.5 | S266 L267 G271 L277 T278 A279 | S266-F275 WeakPolarHBondContact O-CD2 3.38Å; L267-F275 HydrophobicContact CD2-CE2 4.16Å; L267-F275 HydrophobicContact CD2-CZ 4.32Å; G271-F275 PolarHBondContact O-N 2.9Å; F275-L277 VanDerWaalsContact C-N 3.25Å; F275-L277 PolarHBondContact O-N 3.24Å; F275-T278 PolarHBondContact O-N 3.41Å; F275-T278 PolarHBondContact O-OG1 2.86Å; F275-A279 HydrophobicContact CD1-CB 4.38Å; F275-A279 HydrophobicContact CD2-CB 4.32Å; F275-A279 HydrophobicContact CE1-CB 4.04Å; F275-A279 HydrophobicContact CE2-CB 4Å; F275-A279 HydrophobicContact CZ-CB 3.85Å; F275-A279 WeakPolarHBondContact O-CB 3.15Å; F275-A279 PolarHBondContact O-N 3.11Å |
| 276 | L | 84.9 | Confident | 85.5 | Confident | 125 Ų | 125 | 83.8 Ų | 83.8 | 65% | 0.654 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.1 | -26.2 | -177.4 | -72.3 | 171.4 | 0 | 0 | 0 | 113.4 | G272 A273 T274 | G272-L276 VanDerWaalsContact O-CG 3.27Å; G272-L276 WeakPolarHBondContact O-CG 3.39Å; G272-L276 PolarHBondContact O-N 3.44Å; G272-L276 VanDerWaalsContact O-N 3.15Å; A273-L276 PolarHBondContact O-N 3.33Å; T274-L276 PolarHBondContact O-N 3.3Å |
| 277 | L | 83.2 | Confident | 85.5 | Confident | 145 Ų | 145 | 86.3 Ų | 86.3 | 76% | 0.759 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.4 | -35 | 175.7 | -72 | 170.5 | 0 | 0 | 0 | 112.4 | A273 T274 F275 | A273-L277 WeakPolarHBondContact O-CG 3.2Å; A273-L277 PolarHBondContact O-N 2.86Å; T274-L277 PolarHBondContact O-N 3.46Å; F275-L277 VanDerWaalsContact C-N 3.25Å; F275-L277 PolarHBondContact O-N 3.24Å |
| 278 | T | 84.4 | Confident | 85.4 | Confident | 64 Ų | 64 | 85.7 Ų | 85.7 | 39% | 0.393 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -97.9 | -33.2 | -176.3 | 56 | 0 | 0 | 0 | 0 | 113 | T274 F275 K280 Q281 L282 | T274-T278 PolarHBondContact O-N 3.18Å; T274-T278 PolarHBondContact O-OG1 3.47Å; F275-T278 PolarHBondContact O-N 3.41Å; F275-T278 PolarHBondContact O-OG1 2.86Å; T278-K280 PolarHBondContact O-N 3.08Å; T278-Q281 PolarHBondContact O-N 3.44Å; T278-L282 PolarHBondContact O-N 3.25Å |
| 279 | A | 87.3 | Confident | 85.3 | Confident | 10 Ų | 10 | 81.3 Ų | 81.3 | 8% | 0.083 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -58.5 | -42.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F275 Q281 L282 I283 | F275-A279 HydrophobicContact CD1-CB 4.38Å; F275-A279 HydrophobicContact CD2-CB 4.32Å; F275-A279 HydrophobicContact CE1-CB 4.04Å; F275-A279 HydrophobicContact CE2-CB 4Å; F275-A279 HydrophobicContact CZ-CB 3.85Å; F275-A279 WeakPolarHBondContact O-CB 3.15Å; F275-A279 PolarHBondContact O-N 3.11Å; A279-Q281 VanDerWaalsContact C-N 3.32Å; A279-Q281 PolarHBondContact O-N 3.42Å; A279-L282 PolarHBondContact O-N 3.19Å; A279-I283 WeakPolarHBondContact O-CB 3.27Å; A279-I283 WeakPolarHBondContact O-CD1 3.09Å; A279-I283 WeakPolarHBondContact O-CG1 3.25Å; A279-I283 PolarHBondContact O-N 3.37Å |
| 280 | K | 86.6 | Confident | 85.1 | Confident | 174 Ų | 174 | 81.2 Ų | 81.2 | 76% | 0.757 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.7 | -38 | -178.8 | -167.5 | 178.3 | -178.7 | -179.3 | 0 | 112.1 | T278 K284 | T278-K280 PolarHBondContact O-N 3.08Å; K280-K284 PolarHBondContact O-N 3.39Å |
| 281 | Q | 86.5 | Confident | 85.1 | Confident | 117 Ų | 117 | 82.6 Ų | 82.6 | 55% | 0.547 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -72.2 | -40.5 | 177.1 | -173.9 | 59.9 | 31.8 | 0 | 0 | 110.8 | T278 A279 K284 S285 | T278-Q281 PolarHBondContact O-N 3.44Å; A279-Q281 VanDerWaalsContact C-N 3.32Å; A279-Q281 PolarHBondContact O-N 3.42Å; Q281-K284 WeakPolarHBondContact O-CB 3.46Å; Q281-K284 PolarHBondContact O-N 2.97Å; Q281-S285 PolarHBondContact O-N 3.38Å; Q281-S285 PolarHBondContact O-OG 2.87Å |
| 282 | L | 88.5 | Confident | 83.9 | Confident | 33 Ų | 33 | 83.8 Ų | 83.8 | 17% | 0.173 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 178.6 | -131.6 | 97.1 | 0 | 0 | 0 | 112.5 | T262 A263 T278 A279 K284 S285 I286 | T262-L282 HydrophobicContact CG2-CD1 3.95Å; T262-L282 HydrophobicContact CG2-CD2 4.49Å; A263-L282 HydrophobicContact CB-CD2 3.56Å; T278-L282 PolarHBondContact O-N 3.25Å; A279-L282 PolarHBondContact O-N 3.19Å; L282-K284 VanDerWaalsContact C-N 3.27Å; L282-K284 PolarHBondContact O-N 3.42Å; L282-S285 PolarHBondContact O-N 3.1Å; L282-I286 HydrophobicContact CD2-CD1 4.25Å; L282-I286 VanDerWaalsContact O-CG1 3.29Å; L282-I286 WeakPolarHBondContact O-CG1 3.49Å; L282-I286 PolarHBondContact O-N 3.32Å |
| 283 | I | 88.3 | Confident | 82.7 | Confident | 106 Ų | 106 | 85 Ų | 85 | 54% | 0.544 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59 | -41.8 | 176.5 | -68.9 | 164.2 | 0 | 0 | 0 | 110.2 | A279 I286 V287 | A279-I283 WeakPolarHBondContact O-CB 3.27Å; A279-I283 WeakPolarHBondContact O-CD1 3.09Å; A279-I283 WeakPolarHBondContact O-CG1 3.25Å; A279-I283 PolarHBondContact O-N 3.37Å; I283-I286 PolarHBondContact O-N 3.26Å; I283-V287 HydrophobicContact CG2-CG2 4.29Å; I283-V287 WeakPolarHBondContact O-CB 3.45Å; I283-V287 WeakPolarHBondContact O-CG2 3.24Å; I283-V287 PolarHBondContact O-N 3.45Å |
| 284 | K | 87.9 | Confident | 81.6 | Confident | 113 Ų | 113 | 91.1 Ų | 91.1 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 176 | -174.4 | -179.8 | 172.7 | -175.6 | 0 | 111.4 | K280 Q281 L282 I286 V287 E288 | K280-K284 PolarHBondContact O-N 3.39Å; Q281-K284 WeakPolarHBondContact O-CB 3.46Å; Q281-K284 PolarHBondContact O-N 2.97Å; L282-K284 VanDerWaalsContact C-N 3.27Å; L282-K284 PolarHBondContact O-N 3.42Å; K284-I286 PolarHBondContact O-N 3.25Å; K284-V287 PolarHBondContact O-N 3.47Å; K284-E288 WeakPolarHBondContact CE-OE1 3.44Å; K284-E288 WeakPolarHBondContact O-CB 3.48Å; K284-E288 WeakPolarHBondContact O-CG 3.43Å; K284-E288 PolarHBondContact O-N 3.32Å |
| 285 | S | 86.3 | Confident | 80.9 | Confident | 35 Ų | 35 | 89.4 Ų | 89.4 | 25% | 0.245 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 178.2 | -59.6 | 0 | 0 | 0 | 0 | 113.1 | Q281 L282 E288 A289 | Q281-S285 PolarHBondContact O-N 3.38Å; Q281-S285 PolarHBondContact O-OG 2.87Å; L282-S285 PolarHBondContact O-N 3.1Å; S285-E288 PolarHBondContact O-N 3.27Å; S285-A289 WeakPolarHBondContact O-CB 3.46Å; S285-A289 PolarHBondContact O-N 2.95Å |
| 286 | I | 87.8 | Confident | 79.8 | Confident | 59 Ų | 59 | 88.3 Ų | 88.3 | 30% | 0.303 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.2 | -42.6 | 177.1 | -67 | 164.4 | 0 | 0 | 0 | 111.1 | A263 L282 I283 K284 E288 A289 S290 | A263-I286 HydrophobicContact CB-CD1 3.77Å; L282-I286 HydrophobicContact CD2-CD1 4.25Å; L282-I286 VanDerWaalsContact O-CG1 3.29Å; L282-I286 WeakPolarHBondContact O-CG1 3.49Å; L282-I286 PolarHBondContact O-N 3.32Å; I283-I286 PolarHBondContact O-N 3.26Å; K284-I286 PolarHBondContact O-N 3.25Å; I286-E288 VanDerWaalsContact C-N 3.28Å; I286-E288 PolarHBondContact O-N 2.97Å; I286-A289 PolarHBondContact O-N 3.31Å; I286-S290 VanDerWaalsContact O-CB 3.31Å; I286-S290 WeakPolarHBondContact O-CB 3.37Å; I286-S290 PolarHBondContact O-N 3.35Å; I286-S290 PolarHBondContact O-OG 3.16Å |
| 287 | V | 86.9 | Confident | 79.4 | Confident | 65 Ų | 65 | 90.8 Ų | 90.8 | 39% | 0.394 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.5 | -34.2 | 176.7 | 171 | 0 | 0 | 0 | 0 | 111.1 | I283 K284 S290 K291 | I283-V287 HydrophobicContact CG2-CG2 4.29Å; I283-V287 WeakPolarHBondContact O-CB 3.45Å; I283-V287 WeakPolarHBondContact O-CG2 3.24Å; I283-V287 PolarHBondContact O-N 3.45Å; K284-V287 PolarHBondContact O-N 3.47Å; V287-S290 WeakPolarHBondContact CA-OG 3.45Å; V287-S290 PolarHBondContact O-OG 3.3Å; V287-S290 VanDerWaalsContact O-OG 3.07Å; V287-K291 VanDerWaalsContact O-CG 3.32Å; V287-K291 WeakPolarHBondContact O-CG 3.25Å; V287-K291 PolarHBondContact O-N 3.34Å |
| 288 | E | 84.8 | Confident | 79.3 | Confident | 111 Ų | 111 | 87.1 Ų | 87.1 | 52% | 0.519 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.3 | -44 | 174.2 | -74.7 | 171.9 | -176.6 | 0 | 0 | 111.9 | K284 S285 I286 S290 K291 | K284-E288 WeakPolarHBondContact CE-OE1 3.44Å; K284-E288 WeakPolarHBondContact O-CB 3.48Å; K284-E288 WeakPolarHBondContact O-CG 3.43Å; K284-E288 PolarHBondContact O-N 3.32Å; S285-E288 PolarHBondContact O-N 3.27Å; I286-E288 VanDerWaalsContact C-N 3.28Å; I286-E288 PolarHBondContact O-N 2.97Å; E288-S290 VanDerWaalsContact C-N 3.35Å; E288-S290 PolarHBondContact O-N 2.95Å; E288-K291 PolarHBondContact O-N 3.38Å |
| 289 | A | 84.6 | Confident | 78.8 | Confident | 39 Ų | 39 | 91.8 Ų | 91.8 | 32% | 0.322 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -33.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L259 S285 I286 | L259-A289 HydrophobicContact CD1-CB 3.99Å; S285-A289 WeakPolarHBondContact O-CB 3.46Å; S285-A289 PolarHBondContact O-N 2.95Å; I286-A289 PolarHBondContact O-N 3.31Å |
| 290 | S | 80.1 | Confident | 78 | Confident | 88 Ų | 88 | 101.3 Ų | 101.3 | 62% | 0.615 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -77.8 | -15.8 | -178.8 | 56.9 | 0 | 0 | 0 | 0 | 114.7 | I286 V287 E288 G292 | I286-S290 VanDerWaalsContact O-CB 3.31Å; I286-S290 WeakPolarHBondContact O-CB 3.37Å; I286-S290 PolarHBondContact O-N 3.35Å; I286-S290 PolarHBondContact O-OG 3.16Å; V287-S290 WeakPolarHBondContact CA-OG 3.45Å; V287-S290 PolarHBondContact O-OG 3.3Å; V287-S290 VanDerWaalsContact O-OG 3.07Å; E288-S290 VanDerWaalsContact C-N 3.35Å; E288-S290 PolarHBondContact O-N 2.95Å; S290-G292 PolarHBondContact O-N 3.3Å; S290-G292 VanDerWaalsContact O-N 3.11Å |
| 291 | K | 78.9 | Confident | 77.4 | Confident | 162 Ų | 162 | 95.5 Ų | 95.5 | 70% | 0.704 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -0.1 | 176.4 | -78.2 | 171.3 | -176.6 | 179.8 | 0 | 114.2 | V287 E288 | V287-K291 VanDerWaalsContact O-CG 3.32Å; V287-K291 WeakPolarHBondContact O-CG 3.25Å; V287-K291 PolarHBondContact O-N 3.34Å; E288-K291 PolarHBondContact O-N 3.38Å |
| 292 | G | 60.4 | Low | 77.2 | Confident | 53 Ų | 53 | 92.5 Ų | 92.5 | 55% | 0.546 | 51% | 0.506 | S | S | . | . | trans | 85.6 | 128.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S290 | S290-G292 PolarHBondContact O-N 3.3Å; S290-G292 VanDerWaalsContact O-N 3.11Å | ||
| 293 | C | 57.3 | Low | 77 | Confident | 76 Ų | 76 | 98.8 Ų | 98.8 | 51% | 0.514 | 53% | 0.534 | S | S | . | . | trans | -75.7 | 134.5 | 170.3 | -76.2 | 0 | 0 | 0 | 0 | 110.3 | Q252 L295 | Q252-C293 PolarHBondContact NE2-SG 3.08Å; Q252-C293 VanDerWaalsContact OE1-CB 3.26Å; C293-L295 HydrophobicContact CB-CD1 4.45Å; C293-L295 HydrophobicContact CB-CG 3.92Å; C293-L295 PolarHBondContact O-N 3.28Å | ||
| 294 | Q | 60.1 | Low | 76.9 | Confident | 202 Ų | 202 | 97.1 Ų | 97.1 | 94% | 0.944 | 53% | 0.527 | S | S | * | . | trans | -76 | 76 | 160 | -73.4 | 169.8 | -4.5 | 0 | 0 | 107.9 | ||||
| 295 | L | 65.3 | Low | 77 | Confident | 38 Ų | 38 | 94.1 Ų | 94.1 | 20% | 0.199 | 52% | 0.515 | C | S | . | . | trans | -80.2 | 153.5 | 169 | -75.8 | 175.7 | 0 | 0 | 0 | 110 | Q248 Y249 C293 | Q248-L295 HydrophobicContact CB-CD2 4.27Å; Y249-L295 HydrophobicContact CD1-CD1 3.24Å; Y249-L295 HydrophobicContact CD2-CD1 3.98Å; Y249-L295 HydrophobicContact CE1-CB 3.83Å; Y249-L295 HydrophobicContact CE1-CD1 3.27Å; Y249-L295 HydrophobicContact CE1-CG 4.17Å; Y249-L295 HydrophobicContact CE2-CB 3.94Å; Y249-L295 HydrophobicContact CE2-CD1 3.98Å; Y249-L295 HydrophobicContact CG-CD1 3.6Å; Y249-L295 VanDerWaalsContact CZ-CB 3.43Å; Y249-L295 VanDerWaalsContact OH-CB 3.31Å; Y249-L295 WeakPolarHBondContact OH-CB 3.34Å; C293-L295 HydrophobicContact CB-CD1 4.45Å; C293-L295 HydrophobicContact CB-CG 3.92Å; C293-L295 PolarHBondContact O-N 3.28Å | ||
| 296 | G | 65.9 | Low | 77 | Confident | 40 Ų | 40 | 98.3 Ų | 98.3 | 41% | 0.412 | 54% | 0.535 | S | S | . | . | trans | -54.6 | 151.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L245 Y249 | L245-G296 WeakPolarHBondContact CD1-O 3.48Å; Y249-G296 PolarHBondContact OH-O 3Å; Y249-G296 VanDerWaalsContact OH-O 3.07Å | ||
| 297 | K | 77.1 | Confident | 76.9 | Confident | 176 Ų | 176 | 101 Ų | 101 | 77% | 0.765 | 54% | 0.544 | S | S | * | . | trans | -123.2 | 148.7 | 173.1 | -64.8 | -177.5 | -178.7 | 179.7 | 0 | 108.4 | ||||
| 298 | T | 79.7 | Confident | 77.1 | Confident | 68 Ų | 68 | 101.7 Ų | 101.7 | 42% | 0.417 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 140.7 | 166.3 | 48.4 | 0 | 0 | 0 | 0 | 109.3 | F241 I242 L245 F302 | F241-T298 HydrophobicContact CE1-CG2 4.13Å; I242-T298 HydrophobicContact CG1-CG2 4.37Å; L245-T298 HydrophobicContact CD2-CG2 4.28Å; T298-F302 HydrophobicContact CG2-CD1 4.31Å |
| 299 | E | 75.2 | Confident | 77.3 | Confident | 163 Ų | 163 | 102.4 Ų | 102.4 | 76% | 0.762 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 154.7 | 173.6 | -64.2 | -172.7 | 165.3 | 0 | 0 | 110.6 | G301 F302 | E299-G301 PolarHBondContact O-N 3.43Å; E299-F302 WeakPolarHBondContact O-CB 3.28Å; E299-F302 PolarHBondContact O-N 3.19Å; E299-F302 VanDerWaalsContact O-N 3.15Å |
| 300 | Q | 69.8 | Low | 77.6 | Confident | 209 Ų | 209 | 105.9 Ų | 105.9 | 98% | 0.977 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 122 | -179.2 | -168.3 | 169.3 | 9.2 | 0 | 0 | 110 | ||
| 301 | G | 74.9 | Confident | 78.1 | Confident | 53 Ų | 53 | 106.8 Ų | 106.8 | 55% | 0.546 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 89.1 | 8.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E299 E303 N304 | E299-G301 PolarHBondContact O-N 3.43Å; G301-E303 PolarHBondContact O-N 3.12Å; G301-E303 VanDerWaalsContact O-N 3.14Å; G301-N304 WeakPolarHBondContact O-CB 3.22Å; G301-N304 PolarHBondContact O-N 3.47Å |
| 302 | F | 82.3 | Confident | 78.7 | Confident | 53 Ų | 53 | 103.5 Ų | 103.5 | 23% | 0.232 | 55% | 0.554 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -52.6 | -34.5 | 175.8 | -176.1 | -100.2 | 0 | 0 | 0 | 113.4 | K238 F241 I242 T298 E299 N304 | K238-F302 HydrophobicContact CB-CE1 3.71Å; K238-F302 HydrophobicContact CB-CZ 3.89Å; K238-F302 HydrophobicContact CD-CE1 4.36Å; K238-F302 WeakPolarHBondContact CD-O 3.1Å; K238-F302 VanDerWaalsContact CE-O 3.27Å; K238-F302 WeakPolarHBondContact CE-O 3.43Å; K238-F302 HydrophobicContact CG-CE1 3.83Å; K238-F302 HydrophobicContact CG-CE2 4.27Å; K238-F302 HydrophobicContact CG-CZ 3.68Å; K238-F302 PolarHBondContact NZ-O 3.27Å; F241-F302 HydrophobicContact CB-CZ 4.19Å; F241-F302 HydrophobicContact CD1-CE1 4.06Å; F241-F302 HydrophobicContact CD1-CE2 4.18Å; F241-F302 AromaticContact CD1-CZ 3.6Å; F241-F302 HydrophobicContact CD1-CZ 3.6Å; F241-F302 HydrophobicContact CE1-CZ 4.37Å; F241-F302 HydrophobicContact CG-CZ 4.16Å; I242-F302 HydrophobicContact CD1-CD1 4.06Å; I242-F302 HydrophobicContact CD1-CE1 3.79Å; I242-F302 HydrophobicContact CG1-CD1 4.31Å; I242-F302 HydrophobicContact CG1-CE1 3.81Å; T298-F302 HydrophobicContact CG2-CD1 4.31Å; E299-F302 WeakPolarHBondContact O-CB 3.28Å; E299-F302 PolarHBondContact O-N 3.19Å; E299-F302 VanDerWaalsContact O-N 3.15Å; F302-N304 VanDerWaalsContact C-N 3.25Å; F302-N304 PolarHBondContact O-N 3.27Å |
| 303 | E | 82.9 | Confident | 80.3 | Confident | 165 Ų | 165 | 107.2 Ų | 107.2 | 77% | 0.771 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -13.8 | 179 | -63 | 168.5 | -168.3 | 0 | 0 | 113.6 | G301 | G301-E303 PolarHBondContact O-N 3.12Å; G301-E303 VanDerWaalsContact O-N 3.14Å |
| 304 | N | 87.2 | Confident | 82 | Confident | 71 Ų | 71 | 110.7 Ų | 110.7 | 38% | 0.38 | 57% | 0.566 | S | S | . | * | trans | -69.5 | 134.5 | -176.1 | -170 | -71.9 | 0 | 0 | 0 | 111 | K238 G301 F302 D306 F307 | K238-N304 PolarHBondContact NZ-O 3.24Å; G301-N304 WeakPolarHBondContact O-CB 3.22Å; G301-N304 PolarHBondContact O-N 3.47Å; F302-N304 VanDerWaalsContact C-N 3.25Å; F302-N304 PolarHBondContact O-N 3.27Å; N304-D306 PolarHBondContact ND2-OD2 3.43Å; N304-D306 WeakPolarHBondContact OD1-CB 3.19Å; N304-D306 PolarHBondContact OD1-N 3.31Å; N304-F307 WeakPolarHBondContact O-CE1 3.31Å | ||
| 305 | M | 89.1 | Confident | 83.5 | Confident | 50 Ų | 50 | 105.1 Ų | 105.1 | 25% | 0.246 | 54% | 0.542 | C | S | . | . | trans | -125.4 | 10.8 | 177.3 | -63.3 | -68.8 | -81 | 0 | 0 | 111.7 | I231 E234 Q235 K238 F307 F308 | I231-M305 HydrophobicContact CG2-CE 4.29Å; E234-M305 HydrophobicContact CB-CE 3.99Å; E234-M305 HydrophobicContact CG-CE 3.75Å; E234-M305 HydrophobicContact CG-SD 3.9Å; Q235-M305 HydrophobicContact CB-CE 4.39Å; K238-M305 HydrophobicContact CD-SD 3.95Å; K238-M305 PolarHBondContact NZ-SD 3.13Å; M305-F307 PolarHBondContact O-N 3.08Å; M305-F307 VanDerWaalsContact O-N 3.16Å; M305-F307 HydrophobicContact SD-CE1 4.38Å; M305-F307 HydrophobicContact SD-CZ 4.31Å; M305-F308 HydrophobicContact CB-CD2 4.45Å; M305-F308 HydrophobicContact CE-CD2 4.16Å; M305-F308 HydrophobicContact CE-CE2 3.56Å; M305-F308 WeakPolarHBondContact O-CD2 3.29Å; M305-F308 PolarHBondContact O-N 2.73Å; M305-F308 HydrophobicContact SD-CE2 4.23Å | ||
| 306 | D | 86.7 | Confident | 84.7 | Confident | 124 Ų | 124 | 104.8 Ų | 104.8 | 66% | 0.663 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -8.8 | -171 | -58.2 | -28.5 | 0 | 0 | 0 | 113 | N304 F308 | N304-D306 PolarHBondContact ND2-OD2 3.43Å; N304-D306 WeakPolarHBondContact OD1-CB 3.19Å; N304-D306 PolarHBondContact OD1-N 3.31Å; D306-F308 PolarHBondContact O-N 2.85Å |
| 307 | F | 86.8 | Confident | 86.1 | Confident | 114 Ų | 114 | 107 Ų | 107 | 50% | 0.5 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -16 | 175.1 | 58.5 | -93.8 | 0 | 0 | 0 | 113.1 | E234 N304 M305 T309 | E234-F307 HydrophobicContact CG-CZ 4.13Å; N304-F307 WeakPolarHBondContact O-CE1 3.31Å; M305-F307 PolarHBondContact O-N 3.08Å; M305-F307 VanDerWaalsContact O-N 3.16Å; M305-F307 HydrophobicContact SD-CE1 4.38Å; M305-F307 HydrophobicContact SD-CZ 4.31Å; F307-T309 VanDerWaalsContact C-N 3.35Å; F307-T309 PolarHBondContact O-N 3.1Å |
| 308 | F | 89.2 | Confident | 86.8 | Confident | 81 Ų | 81 | 101.7 Ų | 101.7 | 36% | 0.355 | 54% | 0.536 | S | S | . | . | trans | -74.2 | 87.4 | 170.2 | -69.2 | -71.5 | 0 | 0 | 0 | 110.4 | I231 E234 M305 D306 | I231-F308 HydrophobicContact CD1-CG 4.43Å; I231-F308 HydrophobicContact CG1-CB 4.48Å; I231-F308 HydrophobicContact CG1-CD1 3.84Å; I231-F308 HydrophobicContact CG1-CD2 4.1Å; I231-F308 HydrophobicContact CG1-CE1 4.01Å; I231-F308 HydrophobicContact CG1-CE2 4.27Å; I231-F308 HydrophobicContact CG1-CG 3.89Å; I231-F308 HydrophobicContact CG1-CZ 4.22Å; E234-F308 HydrophobicContact CB-CE2 4.28Å; E234-F308 HydrophobicContact CB-CZ 4.02Å; E234-F308 HydrophobicContact CG-CE2 4.13Å; E234-F308 HydrophobicContact CG-CZ 4.17Å; M305-F308 HydrophobicContact CB-CD2 4.45Å; M305-F308 HydrophobicContact CE-CD2 4.16Å; M305-F308 HydrophobicContact CE-CE2 3.56Å; M305-F308 WeakPolarHBondContact O-CD2 3.29Å; M305-F308 PolarHBondContact O-N 2.73Å; M305-F308 HydrophobicContact SD-CE2 4.23Å; D306-F308 PolarHBondContact O-N 2.85Å | ||
| 309 | T | 89.6 | Confident | 87.3 | Confident | 125 Ų | 125 | 102.2 Ų | 102.2 | 77% | 0.767 | 54% | 0.536 | S | S | * | . | trans | -111.5 | 144 | 176.6 | 57.2 | 0 | 0 | 0 | 0 | 110.8 | F307 | F307-T309 VanDerWaalsContact C-N 3.35Å; F307-T309 PolarHBondContact O-N 3.1Å | ||
| 310 | L | 90.8 | Very high | 88.1 | Confident | 113 Ų | 113 | 103.2 Ų | 103.2 | 59% | 0.592 | 53% | 0.533 | S | S | * | . | trans | -136.5 | 122.7 | -177.2 | -168.3 | 82.5 | 0 | 0 | 0 | 109.4 | L227 L312 | L227-L310 HydrophobicContact CD1-CD1 3.72Å; L310-L312 HydrophobicContact CD1-CD2 4.39Å; L310-L312 HydrophobicContact CD2-CD1 3.6Å; L310-L312 HydrophobicContact CD2-CD2 3.73Å; L310-L312 HydrophobicContact CD2-CG 3.61Å; L310-L312 HydrophobicContact CG-CD1 4.46Å; L310-L312 HydrophobicContact CG-CD2 3.88Å; L310-L312 HydrophobicContact CG-CG 3.93Å | ||
| 311 | N | 90.6 | Very high | 89.2 | Confident | 106 Ų | 106 | 97.1 Ų | 97.1 | 57% | 0.567 | 52% | 0.518 | S | S | * | . | trans | -106.6 | 120.4 | 170.3 | -173.4 | -21.8 | 0 | 0 | 0 | 109.3 | E313 | N311-E313 WeakPolarHBondContact OD1-CB 3.4Å; N311-E313 WeakPolarHBondContact OD1-CG 3.49Å; N311-E313 PolarHBondContact OD1-N 2.63Å | ||
| 312 | L | 92.1 | Very high | 90 | Very high | 93 Ų | 93 | 98.6 Ų | 98.6 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | trans | -115 | 6.1 | -178.6 | -62.3 | -179.9 | 0 | 0 | 0 | 113.3 | L310 H314 I315 A316 | L310-L312 HydrophobicContact CD1-CD2 4.39Å; L310-L312 HydrophobicContact CD2-CD1 3.6Å; L310-L312 HydrophobicContact CD2-CD2 3.73Å; L310-L312 HydrophobicContact CD2-CG 3.61Å; L310-L312 HydrophobicContact CG-CD1 4.46Å; L310-L312 HydrophobicContact CG-CD2 3.88Å; L310-L312 HydrophobicContact CG-CG 3.93Å; L312-H314 PolarHBondContact O-N 2.93Å; L312-I315 HydrophobicContact CD2-CD1 4.09Å; L312-I315 PolarHBondContact O-N 3.37Å; L312-A316 PolarHBondContact O-N 3.42Å | ||
| 313 | E | 93.9 | Very high | 90.4 | Very high | 132 Ų | 132 | 102.8 Ų | 102.8 | 62% | 0.617 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.5 | -48 | -173.3 | -69 | -179.7 | 164 | 0 | 0 | 111.8 | N311 I315 A316 D317 | N311-E313 WeakPolarHBondContact OD1-CB 3.4Å; N311-E313 WeakPolarHBondContact OD1-CG 3.49Å; N311-E313 PolarHBondContact OD1-N 2.63Å; E313-I315 VanDerWaalsContact C-N 3.28Å; E313-I315 PolarHBondContact O-N 2.97Å; E313-A316 WeakPolarHBondContact O-CB 3.27Å; E313-A316 PolarHBondContact O-N 3.15Å; E313-A316 VanDerWaalsContact O-N 3.14Å; E313-D317 PolarHBondContact O-N 3.03Å |
| 314 | H | 92.7 | Very high | 90.6 | Very high | 149 Ų | 149 | 101.8 Ų | 101.8 | 69% | 0.69 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.7 | -36.7 | 178.1 | -65.9 | -58.1 | 0 | 0 | 0 | 113.6 | L312 A318 | L312-H314 PolarHBondContact O-N 2.93Å; H314-A318 WeakPolarHBondContact O-CB 3.38Å; H314-A318 PolarHBondContact O-N 3.03Å |
| 315 | I | 91.3 | Very high | 90.1 | Very high | 85 Ų | 85 | 101.5 Ų | 101.5 | 44% | 0.436 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -73.4 | -40.6 | 178.7 | -60 | 174.6 | 0 | 0 | 0 | 109.5 | L312 E313 D317 A318 L319 | L312-I315 HydrophobicContact CD2-CD1 4.09Å; L312-I315 PolarHBondContact O-N 3.37Å; E313-I315 VanDerWaalsContact C-N 3.28Å; E313-I315 PolarHBondContact O-N 2.97Å; I315-D317 VanDerWaalsContact C-N 3.3Å; I315-D317 PolarHBondContact O-N 3.27Å; I315-A318 PolarHBondContact O-N 2.93Å; I315-L319 HydrophobicContact CG2-CD1 4.23Å; I315-L319 HydrophobicContact CG2-CG 4.46Å; I315-L319 WeakPolarHBondContact O-CG 3.28Å; I315-L319 PolarHBondContact O-N 3.48Å |
| 316 | A | 91.1 | Very high | 88.6 | Confident | 31 Ų | 31 | 105.2 Ų | 105.2 | 26% | 0.256 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.4 | -39.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L312 E313 L319 R320 | L312-A316 PolarHBondContact O-N 3.42Å; E313-A316 WeakPolarHBondContact O-CB 3.27Å; E313-A316 PolarHBondContact O-N 3.15Å; E313-A316 VanDerWaalsContact O-N 3.14Å; A316-L319 PolarHBondContact O-N 3.4Å; A316-R320 WeakPolarHBondContact O-CG 3.48Å; A316-R320 PolarHBondContact O-N 3.45Å |
| 317 | D | 94.1 | Very high | 86.7 | Confident | 87 Ų | 87 | 106.1 Ų | 106.1 | 47% | 0.465 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.9 | -42.7 | 175.5 | -68.4 | -23.9 | 0 | 0 | 0 | 112 | E313 I315 L319 R320 A321 | E313-D317 PolarHBondContact O-N 3.03Å; I315-D317 VanDerWaalsContact C-N 3.3Å; I315-D317 PolarHBondContact O-N 3.27Å; D317-L319 VanDerWaalsContact C-N 3.32Å; D317-L319 PolarHBondContact O-N 3.28Å; D317-R320 PolarHBondContact O-N 3.03Å; D317-R320 IonicContact OD1-CZ 3.98Å; D317-R320 IonicContact OD1-NH1 2.71Å; D317-R320 PolarHBondContact OD1-NH1 3.19Å; D317-A321 PolarHBondContact O-N 3.36Å; D317-A321 VanDerWaalsContact O-N 3.16Å |
| 318 | A | 92.3 | Very high | 84.9 | Confident | 64 Ų | 64 | 109.3 Ų | 109.3 | 53% | 0.529 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.7 | -40.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H314 I315 A321 | H314-A318 WeakPolarHBondContact O-CB 3.38Å; H314-A318 PolarHBondContact O-N 3.03Å; I315-A318 PolarHBondContact O-N 2.93Å; A318-A321 PolarHBondContact O-N 2.98Å |
| 319 | L | 91.4 | Very high | 82.7 | Confident | 79 Ų | 79 | 113.4 Ų | 113.4 | 41% | 0.414 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.2 | -34.2 | 176.9 | -70.3 | 173.8 | 0 | 0 | 0 | 112.7 | I315 A316 D317 A321 I322 | I315-L319 HydrophobicContact CG2-CD1 4.23Å; I315-L319 HydrophobicContact CG2-CG 4.46Å; I315-L319 WeakPolarHBondContact O-CG 3.28Å; I315-L319 PolarHBondContact O-N 3.48Å; A316-L319 PolarHBondContact O-N 3.4Å; D317-L319 VanDerWaalsContact C-N 3.32Å; D317-L319 PolarHBondContact O-N 3.28Å; L319-A321 VanDerWaalsContact C-N 3.28Å; L319-A321 PolarHBondContact O-N 3.4Å; L319-I322 HydrophobicContact CD2-CD1 3.95Å; L319-I322 WeakPolarHBondContact O-CG1 3.35Å |
| 320 | R | 91.9 | Very high | 80.4 | Confident | 184 Ų | 184 | 115.9 Ų | 115.9 | 69% | 0.694 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.9 | -23.8 | 176 | -72.8 | 176.3 | -162.6 | 120 | 2 | 113.2 | A316 D317 I322 | A316-R320 WeakPolarHBondContact O-CG 3.48Å; A316-R320 PolarHBondContact O-N 3.45Å; D317-R320 PolarHBondContact O-N 3.03Å; D317-R320 IonicContact OD1-CZ 3.98Å; D317-R320 IonicContact OD1-NH1 2.71Å; D317-R320 PolarHBondContact OD1-NH1 3.19Å; R320-I322 VanDerWaalsContact C-N 3.3Å |
| 321 | A | 93.1 | Very high | 78 | Confident | 80 Ų | 80 | 118.2 Ų | 118.2 | 66% | 0.661 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 0.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D317 A318 L319 D323 | D317-A321 PolarHBondContact O-N 3.36Å; D317-A321 VanDerWaalsContact O-N 3.16Å; A318-A321 PolarHBondContact O-N 2.98Å; L319-A321 VanDerWaalsContact C-N 3.28Å; L319-A321 PolarHBondContact O-N 3.4Å; A321-D323 PolarHBondContact O-N 3.21Å |
| 322 | I | 90.8 | Very high | 75.5 | Confident | 84 Ų | 84 | 121.2 Ų | 121.2 | 43% | 0.431 | 63% | 0.633 | S | S | . | * | trans | -70.9 | 118.9 | 177.5 | -61.6 | 173.2 | 0 | 0 | 0 | 109.2 | F213 L216 L319 R320 | F213-I322 HydrophobicContact CZ-CG2 4.19Å; L216-I322 HydrophobicContact CD1-CD1 4.45Å; L319-I322 HydrophobicContact CD2-CD1 3.95Å; L319-I322 WeakPolarHBondContact O-CG1 3.35Å; R320-I322 VanDerWaalsContact C-N 3.3Å | ||
| 323 | D | 91.1 | Very high | 72.7 | Confident | 141 Ų | 141 | 125.2 Ų | 125.2 | 75% | 0.754 | 65% | 0.647 | S | S | * | * | trans | -140.8 | 167.3 | 174 | -155 | -6.9 | 0 | 0 | 0 | 109.9 | A321 | A321-D323 PolarHBondContact O-N 3.21Š| ||
| 324 | F | 87.1 | Confident | 70.1 | Confident | 144 Ų | 144 | 125.6 Ų | 125.6 | 63% | 0.632 | 65% | 0.651 | S | S | * | * | trans | -67.4 | 137.7 | 169.5 | -68.4 | -75.2 | 0 | 0 | 0 | 109.6 | L209 T326 | L209-F324 HydrophobicContact CD1-CE1 4.41Å; L209-F324 HydrophobicContact CD2-CE1 4.37Å; L209-F324 HydrophobicContact CD2-CZ 3.91Å; F324-T326 PolarHBondContact O-N 2.72Å | ||
| 325 | G | 77.5 | Confident | 67.5 | Low | 66 Ų | 66 | 126.8 Ų | 126.8 | 68% | 0.68 | 66% | 0.657 | S | S | * | * | trans | -60.7 | 132.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | D327 | G325-D327 PolarHBondContact O-N 3.03Š| ||
| 326 | T | 56 | Low | 65 | Low | 127 Ų | 127 | 131.3 Ų | 131.3 | 78% | 0.779 | 68% | 0.677 | S | S | * | * | trans | -73.7 | 79.7 | 166.2 | 49.9 | 0 | 0 | 0 | 0 | 108 | F324 E328 | F324-T326 PolarHBondContact O-N 2.72Å; T326-E328 PolarHBondContact O-N 3.42Å | ||
| 327 | D | 48 | Very low | 62.4 | Low | 143 Ų | 143 | 138 Ų | 138 | 77% | 0.765 | 70% | 0.702 | S | S | * | * | trans | -75.6 | 89.2 | 162.7 | -72.6 | -25.8 | 0 | 0 | 0 | 106.6 | G325 E329 | G325-D327 PolarHBondContact O-N 3.03Å; D327-E329 PolarHBondContact O-N 3.46Å | ||
| 328 | E | 48 | Very low | 59.7 | Low | 182 Ų | 182 | 141.4 Ų | 141.4 | 85% | 0.85 | 72% | 0.721 | S | S | * | * | trans | -66.3 | 70.5 | 157.2 | -68.1 | 179.7 | 169.6 | 0 | 0 | 108 | T326 | T326-E328 PolarHBondContact O-N 3.42Š| ||
| 329 | E | 43.4 | Very low | 57 | Low | 167 Ų | 167 | 146.8 Ų | 146.8 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | trans | -102.9 | 90.3 | 158.2 | -70.6 | -169.1 | 179 | 0 | 0 | 106.3 | D327 E331 | D327-E329 PolarHBondContact O-N 3.46Å; E329-E331 PolarHBondContact O-N 3.42Å | ||
| 330 | E | 42 | Very low | 54.4 | Low | 176 Ų | 176 | 151.4 Ų | 151.4 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -46.9 | 106.7 | 162.2 | -66.8 | 175 | 153.4 | 0 | 0 | 108 | E332 | E330-E332 PolarHBondContact O-N 2.9Š| ||
| 331 | E | 39.6 | Very low | 51.8 | Low | 163 Ų | 163 | 151.6 Ų | 151.6 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -62.9 | 93.9 | 164.4 | -73.7 | -176.8 | 168.2 | 0 | 0 | 107 | E329 F333 | E329-E331 PolarHBondContact O-N 3.42Å; E331-F333 VanDerWaalsContact C-N 3.26Å; E331-F333 HydrophobicContact CB-CD2 4.43Å; E331-F333 HydrophobicContact CB-CE2 4.38Å; E331-F333 PolarHBondContact O-N 3.05Å | ||
| 332 | E | 37.4 | Very low | 49.2 | Very low | 169 Ų | 169 | 156 Ų | 156 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -58.3 | 92.8 | 163.4 | -80.5 | -173.9 | 161.9 | 0 | 0 | 107.9 | E330 I334 | E330-E332 PolarHBondContact O-N 2.9Å; E332-I334 VanDerWaalsContact C-N 3.34Å; E332-I334 PolarHBondContact O-N 3.09Å | ||
| 333 | F | 33.6 | Very low | 46.8 | Very low | 177 Ų | 177 | 159.2 Ų | 159.2 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -64.2 | 98.6 | 161.2 | -87.1 | -93.4 | 0 | 0 | 0 | 107.6 | E331 E335 | E331-F333 VanDerWaalsContact C-N 3.26Å; E331-F333 HydrophobicContact CB-CD2 4.43Å; E331-F333 HydrophobicContact CB-CE2 4.38Å; E331-F333 PolarHBondContact O-N 3.05Å; F333-E335 PolarHBondContact O-N 3.35Å; F333-E335 VanDerWaalsContact O-N 3.14Å | ||
| 334 | I | 39 | Very low | 44.2 | Very low | 139 Ų | 139 | 156.9 Ų | 156.9 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -70 | 102.9 | 163.6 | -60.7 | 175.3 | 0 | 0 | 0 | 106.3 | E332 E336 | E332-I334 VanDerWaalsContact C-N 3.34Å; E332-I334 PolarHBondContact O-N 3.09Å; I334-E336 HydrophobicContact CG2-CG 4.42Å; I334-E336 PolarHBondContact O-N 2.91Å; I334-E336 VanDerWaalsContact O-N 3.16Å | ||
| 335 | E | 39.8 | Very low | 41.9 | Very low | 174 Ų | 174 | 155.5 Ų | 155.5 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -66.5 | 103.4 | 161.3 | -70.4 | -177.8 | 166.7 | 0 | 0 | 107.3 | F333 E337 | F333-E335 PolarHBondContact O-N 3.35Å; F333-E335 VanDerWaalsContact O-N 3.14Å; E335-E337 PolarHBondContact O-N 3.45Å; E335-E337 VanDerWaalsContact O-N 3.11Å | ||
| 336 | E | 37.8 | Very low | 40 | Very low | 180 Ų | 180 | 161.8 Ų | 161.8 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -69.4 | 100.9 | 164.7 | -72.5 | -174.1 | 169.4 | 0 | 0 | 107.6 | I334 D338 | I334-E336 HydrophobicContact CG2-CG 4.42Å; I334-E336 PolarHBondContact O-N 2.91Å; I334-E336 VanDerWaalsContact O-N 3.16Å; E336-D338 PolarHBondContact O-N 3.23Å | ||
| 337 | E | 36.9 | Very low | 39 | Very low | 171 Ų | 171 | 159.4 Ų | 159.4 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -63.5 | 113.9 | 167 | -76.7 | -175.9 | 157.1 | 0 | 0 | 109.4 | E335 Q339 | E335-E337 PolarHBondContact O-N 3.45Å; E335-E337 VanDerWaalsContact O-N 3.11Å; E337-Q339 PolarHBondContact O-N 3.17Å; E337-Q339 VanDerWaalsContact O-N 3.08Å | ||
| 338 | D | 35.9 | Very low | 38.6 | Very low | 160 Ų | 160 | 163 Ų | 163 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | -58 | 105.7 | 165 | -80.4 | -42.5 | 0 | 0 | 0 | 109.7 | E336 E340 | E336-D338 PolarHBondContact O-N 3.23Å; D338-E340 PolarHBondContact O-N 3.32Å | ||
| 339 | Q | 36.1 | Very low | 38.4 | Very low | 176 Ų | 176 | 163 Ų | 163 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -79.1 | 98 | 163.8 | -80.5 | 178.3 | 8.8 | 0 | 0 | 109.1 | E337 E341 | E337-Q339 PolarHBondContact O-N 3.17Å; E337-Q339 VanDerWaalsContact O-N 3.08Å; Q339-E341 PolarHBondContact O-N 3.25Å | ||
| 340 | E | 37.9 | Very low | 38.2 | Very low | 176 Ų | 176 | 164.4 Ų | 164.4 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -67.9 | 109.4 | 158.8 | -70.4 | -174.1 | 160.5 | 0 | 0 | 108.6 | D338 E342 | D338-E340 PolarHBondContact O-N 3.32Å; E340-E342 PolarHBondContact O-N 3.32Å; E340-E342 VanDerWaalsContact O-N 3.15Å | ||
| 341 | E | 37.3 | Very low | 38 | Very low | 188 Ų | 188 | 159.1 Ų | 159.1 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -70.2 | 101.4 | 163.6 | -72.5 | -157.1 | 168.6 | 0 | 0 | 109.2 | Q339 D343 | Q339-E341 PolarHBondContact O-N 3.25Å; E341-D343 PolarHBondContact O-N 3.5Å | ||
| 342 | E | 37.3 | Very low | 38 | Very low | 172 Ų | 172 | 160.5 Ų | 160.5 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -73.4 | 98.5 | 160.5 | -81.6 | -167.3 | 154.6 | 0 | 0 | 109.6 | E340 S344 | E340-E342 PolarHBondContact O-N 3.32Å; E340-E342 VanDerWaalsContact O-N 3.15Å; E342-S344 PolarHBondContact O-N 3.07Å | ||
| 343 | D | 40.5 | Very low | 38.1 | Very low | 152 Ų | 152 | 165.3 Ų | 165.3 | 81% | 0.813 | 84% | 0.836 | S | S | * | * | trans | -72.6 | 104.4 | 156.4 | -172.6 | 18 | 0 | 0 | 0 | 108.4 | E341 | E341-D343 PolarHBondContact O-N 3.5Š| ||
| 344 | S | 37.3 | Very low | 38.4 | Very low | 92 Ų | 92 | 164.7 Ų | 164.7 | 64% | 0.643 | 84% | 0.839 | S | S | * | * | trans | -139 | 101.4 | 159.7 | 54.6 | 0 | 0 | 0 | 0 | 111.1 | E342 | E342-S344 PolarHBondContact O-N 3.07Š| ||
| 345 | T | 39.4 | Very low | 38.3 | Very low | 116 Ų | 116 | 166.1 Ų | 166.1 | 71% | 0.712 | 85% | 0.845 | S | S | * | * | trans | -42.5 | 129.2 | 151.6 | 48.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 346 | E | 36.1 | Very low | 38.3 | Very low | 198 Ų | 198 | 165.6 Ų | 165.6 | 93% | 0.925 | 85% | 0.847 | S | S | * | * | 171 | 144 | 125.6 | -95.2 | 175.8 | 177.3 | 0 | 0 | 112.2 | |||||
| 347 | G | 35.7 | Very low | 38.3 | Very low | 77 Ų | 77 | 164.8 Ų | 164.8 | 79% | 0.794 | 85% | 0.847 | S | S | * | * | trans | 108.3 | 66.8 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 348 | K | 39.2 | Very low | 38.4 | Very low | 217 Ų | 217 | 164.4 Ų | 164.4 | 94% | 0.943 | 85% | 0.85 | S | S | * | * | trans | -97.3 | 93.4 | 150.8 | -85 | -173.3 | 177.2 | 178 | 0 | 109.2 | ||||
| 349 | E | 43.8 | Very low | 38.5 | Very low | 182 Ų | 182 | 164.7 Ų | 164.7 | 85% | 0.85 | 85% | 0.85 | S | S | * | * | trans | -106.6 | 158.1 | 152.1 | -82.1 | -168.1 | 151.2 | 0 | 0 | 109.5 | ||||
| 350 | E | 40.4 | Very low | 38.7 | Very low | 197 Ų | 197 | 163.9 Ų | 163.9 | 92% | 0.921 | 85% | 0.852 | S | S | * | * | trans | 82.3 | 118.7 | -179.1 | -48.2 | -170 | 172.3 | 0 | 0 | 114.2 | ||||
| 351 | G | 37.5 | Very low | 38.8 | Very low | 65 Ų | 65 | 162.9 Ų | 162.9 | 67% | 0.67 | 85% | 0.854 | S | S | * | * | cis | 109.3 | 119.5 | 28.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 352 | H | 39.6 | Very low | 38.9 | Very low | 192 Ų | 192 | 160.8 Ų | 160.8 | 89% | 0.889 | 85% | 0.852 | S | S | * | * | trans | 108.6 | 91.3 | 172.9 | -67.1 | 68.2 | 0 | 0 | 0 | 116.3 | ||||
| 353 | Q | 39.9 | Very low | 39 | Very low | 270 Ų | 270 | 159.8 Ų | 159.8 | 100% | 1.262 | 86% | 0.857 | S | S | * | * | -174.8 | 0 | 92.3 | -106.7 | 175.5 | 2.6 | 0 | 0 | 111.2 |
Retrieved 353 of 353 residues in 338.2 ms
(Link to these results)