| 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 | 45.5 | Very low | 53.6 | Low | 235 Ų | 235 | 131.1 Ų | 131.1 | 100% | 1.158 | 63% | 0.631 | S | S | * | * | 0 | 99 | 0 | -82.6 | 173 | 162.6 | 0 | 0 | 107.5 | W3 | M1-W3 PolarHBondContact O-N 3.48Š| |||
| 2 | S | 41.2 | Very low | 54.3 | Low | 123 Ų | 123 | 129.3 Ų | 129.3 | 86% | 0.86 | 62% | 0.621 | S | S | * | * | trans | -84.9 | 109.6 | -174.9 | 53.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3 | W | 42.2 | Very low | 54.9 | Low | 162 Ų | 162 | 127.5 Ų | 127.5 | 61% | 0.614 | 62% | 0.617 | S | S | * | * | trans | -70.6 | 137.5 | 165.3 | -74.4 | 51.8 | 0 | 0 | 0 | 108.6 | M1 D7 F11 | M1-W3 PolarHBondContact O-N 3.48Å; W3-D7 HydrophobicContact CE3-CB 4Å; W3-F11 HydrophobicContact CH2-CE2 4.31Å; W3-F11 HydrophobicContact CZ3-CD2 4.16Å; W3-F11 AromaticContact CZ3-CE2 3.84Å; W3-F11 HydrophobicContact CZ3-CE2 3.84Å | ||
| 4 | S | 46 | Very low | 55.4 | Low | 51 Ų | 51 | 124.1 Ų | 124.1 | 36% | 0.357 | 60% | 0.603 | S | S | . | * | trans | -76.2 | 156.6 | 179.2 | 77.9 | 0 | 0 | 0 | 0 | 110.3 | S6 D7 | S4-S6 PolarHBondContact O-N 3.28Å; S4-S6 PolarHBondContact OG-OG 2.68Å; S4-D7 PolarHBondContact N-OD2 3.36Å; S4-D7 PolarHBondContact O-N 2.87Å; S4-D7 VanDerWaalsContact O-N 3.12Å; S4-D7 VanDerWaalsContact OG-CG 3.27Å; S4-D7 PolarHBondContact OG-OD2 3.19Å | ||
| 5 | R | 57.3 | Low | 56 | Low | 218 Ų | 218 | 125.7 Ų | 125.7 | 82% | 0.823 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.4 | -28.3 | -178.8 | -158.6 | 158.8 | -179.4 | 159.3 | -2.4 | 112.4 | W8 D9 | R5-W8 PolarHBondContact O-N 3.46Å; R5-D9 PolarHBondContact O-N 2.97Å |
| 6 | S | 58.4 | Low | 56.5 | Low | 80 Ų | 80 | 126.6 Ų | 126.6 | 56% | 0.559 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.6 | -27 | 175.2 | 53.7 | 0 | 0 | 0 | 0 | 114.1 | S4 F10 | S4-S6 PolarHBondContact O-N 3.28Å; S4-S6 PolarHBondContact OG-OG 2.68Å; S6-F10 PolarHBondContact O-N 2.96Å |
| 7 | D | 54.2 | Low | 56.7 | Low | 75 Ų | 75 | 123 Ų | 123 | 40% | 0.401 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -74.1 | -33.1 | 176.6 | -59.2 | -45.3 | 0 | 0 | 0 | 111.1 | W3 S4 F11 | W3-D7 HydrophobicContact CE3-CB 4Å; S4-D7 PolarHBondContact N-OD2 3.36Å; S4-D7 PolarHBondContact O-N 2.87Å; S4-D7 VanDerWaalsContact O-N 3.12Å; S4-D7 VanDerWaalsContact OG-CG 3.27Å; S4-D7 PolarHBondContact OG-OD2 3.19Å; D7-F11 WeakPolarHBondContact O-CD2 3.47Å; D7-F11 PolarHBondContact O-N 3.42Å |
| 8 | W | 58.5 | Low | 56.7 | Low | 171 Ų | 171 | 121.7 Ų | 121.7 | 65% | 0.648 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.9 | -40 | 172.3 | -87 | 95.4 | 0 | 0 | 0 | 112.3 | R5 F10 F11 E12 | R5-W8 PolarHBondContact O-N 3.46Å; W8-F10 VanDerWaalsContact C-N 3.31Å; W8-F10 PolarHBondContact O-N 3.12Å; W8-F11 PolarHBondContact O-N 2.97Å; W8-E12 WeakPolarHBondContact O-CB 3.47Å; W8-E12 PolarHBondContact O-N 3.26Å |
| 9 | D | 62.1 | Low | 57 | Low | 95 Ų | 95 | 123.5 Ų | 123.5 | 51% | 0.508 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.1 | -38.3 | 177 | -68 | -22.8 | 0 | 0 | 0 | 111.5 | R5 E12 D13 | R5-D9 PolarHBondContact O-N 2.97Å; D9-E12 PolarHBondContact O-N 2.88Å; D9-D13 PolarHBondContact O-N 3.23Å |
| 10 | F | 63.9 | Low | 57.3 | Low | 135 Ų | 135 | 124.1 Ų | 124.1 | 59% | 0.592 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.9 | -44.5 | 174.5 | -178.4 | -97.1 | 0 | 0 | 0 | 112.8 | S6 W8 D13 L14 | S6-F10 PolarHBondContact O-N 2.96Å; W8-F10 VanDerWaalsContact C-N 3.31Å; W8-F10 PolarHBondContact O-N 3.12Å; F10-D13 PolarHBondContact O-N 3.47Å; F10-L14 WeakPolarHBondContact O-CB 3.44Å; F10-L14 PolarHBondContact O-N 3.27Å |
| 11 | F | 60.5 | Low | 57.6 | Low | 97 Ų | 97 | 122.4 Ų | 122.4 | 43% | 0.425 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68 | -34.8 | 177.1 | -92.6 | -80.1 | 0 | 0 | 0 | 112.3 | W3 D7 W8 L14 F15 | W3-F11 HydrophobicContact CH2-CE2 4.31Å; W3-F11 HydrophobicContact CZ3-CD2 4.16Å; W3-F11 AromaticContact CZ3-CE2 3.84Å; W3-F11 HydrophobicContact CZ3-CE2 3.84Å; D7-F11 WeakPolarHBondContact O-CD2 3.47Å; D7-F11 PolarHBondContact O-N 3.42Å; W8-F11 PolarHBondContact O-N 2.97Å; F11-L14 PolarHBondContact O-N 3.49Å; F11-F15 WeakPolarHBondContact O-CB 3.28Å; F11-F15 PolarHBondContact O-N 2.99Å |
| 12 | E | 61.9 | Low | 58.2 | Low | 109 Ų | 109 | 119.9 Ų | 119.9 | 51% | 0.509 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.3 | -40.7 | 176.7 | -137.3 | -167.7 | -136.3 | 0 | 0 | 111.5 | W8 D9 F15 R16 | W8-E12 WeakPolarHBondContact O-CB 3.47Å; W8-E12 PolarHBondContact O-N 3.26Å; D9-E12 PolarHBondContact O-N 2.88Å; E12-F15 PolarHBondContact O-N 3.41Å; E12-R16 VanDerWaalsContact O-CB 3.28Å; E12-R16 WeakPolarHBondContact O-CB 3.44Å; E12-R16 PolarHBondContact O-N 3.44Å; E12-R16 IonicContact OE2-NH2 2.96Å; E12-R16 PolarHBondContact OE2-NH2 2.94Å |
| 13 | D | 62 | Low | 59.2 | Low | 107 Ų | 107 | 117.4 Ų | 117.4 | 57% | 0.572 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.6 | -38 | 173.9 | -97.7 | -5.4 | 0 | 0 | 0 | 112.6 | D9 F10 R16 C17 | D9-D13 PolarHBondContact O-N 3.23Å; F10-D13 PolarHBondContact O-N 3.47Å; D13-R16 PolarHBondContact O-N 2.95Å; D13-C17 VanDerWaalsContact O-CB 3.3Å; D13-C17 WeakPolarHBondContact O-CB 3.3Å; D13-C17 PolarHBondContact O-N 3.43Å |
| 14 | L | 62.4 | Low | 60.1 | Low | 79 Ų | 79 | 116.4 Ų | 116.4 | 41% | 0.414 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 174.2 | -161.7 | 88.6 | 0 | 0 | 0 | 111.4 | F10 F11 C17 L18 | F10-L14 WeakPolarHBondContact O-CB 3.44Å; F10-L14 PolarHBondContact O-N 3.27Å; F11-L14 PolarHBondContact O-N 3.49Å; L14-C17 PolarHBondContact O-N 2.96Å; L14-L18 HydrophobicContact CD2-CD1 4.48Å; L14-L18 HydrophobicContact CG-CD1 4.47Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 2.9Å |
| 15 | F | 63.5 | Low | 60.8 | Low | 148 Ų | 148 | 122.3 Ų | 122.3 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66 | -38.1 | 175.7 | -108.2 | -84.6 | 0 | 0 | 0 | 112.1 | F11 E12 L18 K19 | F11-F15 WeakPolarHBondContact O-CB 3.28Å; F11-F15 PolarHBondContact O-N 2.99Å; E12-F15 PolarHBondContact O-N 3.41Å; F15-L18 PolarHBondContact O-N 3.04Å; F15-K19 VanDerWaalsContact O-CB 3.3Å; F15-K19 WeakPolarHBondContact O-CB 3.37Å; F15-K19 PolarHBondContact O-N 3.1Å |
| 16 | R | 64.9 | Low | 61 | Low | 141 Ų | 141 | 115.9 Ų | 115.9 | 53% | 0.532 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 176.6 | -149.9 | 179.4 | -70.3 | -145.6 | 3.3 | 111 | E12 D13 Q20 | E12-R16 VanDerWaalsContact O-CB 3.28Å; E12-R16 WeakPolarHBondContact O-CB 3.44Å; E12-R16 PolarHBondContact O-N 3.44Å; E12-R16 IonicContact OE2-NH2 2.96Å; E12-R16 PolarHBondContact OE2-NH2 2.94Å; D13-R16 PolarHBondContact O-N 2.95Å; R16-Q20 WeakPolarHBondContact O-CG 3.47Å; R16-Q20 PolarHBondContact O-N 3.49Å |
| 17 | C | 59.6 | Low | 61 | Low | 65 Ų | 65 | 118 Ų | 118 | 44% | 0.439 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.5 | -46.8 | 175.8 | -166.3 | 0 | 0 | 0 | 0 | 112.2 | D13 L14 K19 Q20 I21 | D13-C17 VanDerWaalsContact O-CB 3.3Å; D13-C17 WeakPolarHBondContact O-CB 3.3Å; D13-C17 PolarHBondContact O-N 3.43Å; L14-C17 PolarHBondContact O-N 2.96Å; C17-K19 VanDerWaalsContact C-N 3.34Å; C17-K19 PolarHBondContact O-N 3.32Å; C17-Q20 PolarHBondContact O-N 3.39Å; C17-I21 WeakPolarHBondContact O-CG1 3.29Å; C17-I21 PolarHBondContact O-N 3.03Å |
| 18 | L | 56.8 | Low | 61.4 | Low | 99 Ų | 99 | 118.9 Ų | 118.9 | 52% | 0.518 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 176.8 | -76.6 | 169.5 | 0 | 0 | 0 | 112.4 | L14 F15 I21 W22 | L14-L18 HydrophobicContact CD2-CD1 4.48Å; L14-L18 HydrophobicContact CG-CD1 4.47Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 2.9Å; F15-L18 PolarHBondContact O-N 3.04Å; L18-I21 PolarHBondContact O-N 3.35Å; L18-W22 PolarHBondContact O-N 3.44Å |
| 19 | K | 62.7 | Low | 61.4 | Low | 156 Ų | 156 | 115.7 Ų | 115.7 | 68% | 0.678 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.8 | -39.3 | 175.5 | -158.6 | 177.9 | -173.6 | 179.5 | 0 | 111.6 | F15 C17 W22 V23 | F15-K19 VanDerWaalsContact O-CB 3.3Å; F15-K19 WeakPolarHBondContact O-CB 3.37Å; F15-K19 PolarHBondContact O-N 3.1Å; C17-K19 VanDerWaalsContact C-N 3.34Å; C17-K19 PolarHBondContact O-N 3.32Å; K19-W22 PolarHBondContact O-N 3.34Å; K19-V23 VanDerWaalsContact O-CG2 3.29Å; K19-V23 WeakPolarHBondContact O-CG2 3.4Å; K19-V23 PolarHBondContact O-N 2.96Å |
| 20 | Q | 62.1 | Low | 61.4 | Low | 136 Ų | 136 | 117.1 Ų | 117.1 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.9 | -40.2 | 173.9 | -79.9 | -176.6 | -6 | 0 | 0 | 112.4 | R16 C17 V23 K24 | R16-Q20 WeakPolarHBondContact O-CG 3.47Å; R16-Q20 PolarHBondContact O-N 3.49Å; C17-Q20 PolarHBondContact O-N 3.39Å; Q20-V23 PolarHBondContact O-N 3Å; Q20-K24 WeakPolarHBondContact O-CB 3.3Å; Q20-K24 PolarHBondContact O-N 3.49Å |
| 21 | I | 62.9 | Low | 61.3 | Low | 89 Ų | 89 | 114.5 Ų | 114.5 | 46% | 0.456 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 176.4 | -67.8 | 167 | 0 | 0 | 0 | 111.1 | C17 L18 K24 R25 | C17-I21 WeakPolarHBondContact O-CG1 3.29Å; C17-I21 PolarHBondContact O-N 3.03Å; L18-I21 PolarHBondContact O-N 3.35Å; I21-K24 PolarHBondContact O-N 3.04Å; I21-R25 WeakPolarHBondContact O-CB 3.43Å; I21-R25 PolarHBondContact O-N 3.05Å |
| 22 | W | 60.1 | Low | 61.3 | Low | 181 Ų | 181 | 114.3 Ų | 114.3 | 69% | 0.686 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68 | -41.8 | 179.5 | -156.7 | 78.3 | 0 | 0 | 0 | 112.3 | L18 K19 R25 I26 | L18-W22 PolarHBondContact O-N 3.44Å; K19-W22 PolarHBondContact O-N 3.34Å; W22-R25 PolarHBondContact O-N 2.97Å; W22-I26 HydrophobicContact CD2-CD1 3.87Å; W22-I26 HydrophobicContact CE3-CD1 3.37Å; W22-I26 HydrophobicContact CE3-CG1 4.45Å; W22-I26 HydrophobicContact CH2-CD1 3.42Å; W22-I26 VanDerWaalsContact CH2-CD1 3.42Å; W22-I26 HydrophobicContact CZ2-CD1 3.88Å; W22-I26 HydrophobicContact CZ3-CD1 3.14Å; W22-I26 HydrophobicContact CZ3-CG1 4.5Å; W22-I26 PolarHBondContact O-N 3.22Å; W22-I26 VanDerWaalsContact O-N 3.1Å |
| 23 | V | 61.6 | Low | 61.3 | Low | 72 Ų | 72 | 114 Ų | 114 | 44% | 0.436 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | K19 Q20 R25 I26 Q27 | K19-V23 VanDerWaalsContact O-CG2 3.29Å; K19-V23 WeakPolarHBondContact O-CG2 3.4Å; K19-V23 PolarHBondContact O-N 2.96Å; Q20-V23 PolarHBondContact O-N 3Å; V23-R25 VanDerWaalsContact C-N 3.35Å; V23-R25 PolarHBondContact O-N 3.48Å; V23-I26 PolarHBondContact O-N 2.91Å; V23-Q27 PolarHBondContact O-N 3.02Å |
| 24 | K | 61 | Low | 61.6 | Low | 141 Ų | 141 | 112.8 Ų | 112.8 | 61% | 0.613 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.3 | -41 | 176.7 | -133.6 | 178.2 | -175.9 | -179.5 | 0 | 111.7 | Q20 I21 I26 Q27 D28 | Q20-K24 WeakPolarHBondContact O-CB 3.3Å; Q20-K24 PolarHBondContact O-N 3.49Å; I21-K24 PolarHBondContact O-N 3.04Å; K24-I26 PolarHBondContact O-N 3.29Å; K24-Q27 PolarHBondContact O-N 3.37Å; K24-D28 PolarHBondContact O-N 3.49Å |
| 25 | R | 59.6 | Low | 61.7 | Low | 175 Ų | 175 | 115.6 Ų | 115.6 | 66% | 0.66 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.6 | -37.7 | 178.6 | -156.2 | -177.3 | -82.2 | -166.3 | -4.2 | 112.2 | I21 W22 V23 D28 D29 | I21-R25 WeakPolarHBondContact O-CB 3.43Å; I21-R25 PolarHBondContact O-N 3.05Å; W22-R25 PolarHBondContact O-N 2.97Å; V23-R25 VanDerWaalsContact C-N 3.35Å; V23-R25 PolarHBondContact O-N 3.48Å; R25-D28 PolarHBondContact O-N 3.03Å; R25-D29 PolarHBondContact O-N 3.49Å |
| 26 | I | 61.6 | Low | 61.5 | Low | 83 Ų | 83 | 114.8 Ų | 114.8 | 43% | 0.426 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69 | -38.5 | 174.4 | -69.1 | 175.9 | 0 | 0 | 0 | 112.1 | W22 V23 K24 H30 | W22-I26 HydrophobicContact CD2-CD1 3.87Å; W22-I26 HydrophobicContact CE3-CD1 3.37Å; W22-I26 HydrophobicContact CE3-CG1 4.45Å; W22-I26 HydrophobicContact CH2-CD1 3.42Å; W22-I26 VanDerWaalsContact CH2-CD1 3.42Å; W22-I26 HydrophobicContact CZ2-CD1 3.88Å; W22-I26 HydrophobicContact CZ3-CD1 3.14Å; W22-I26 HydrophobicContact CZ3-CG1 4.5Å; W22-I26 PolarHBondContact O-N 3.22Å; W22-I26 VanDerWaalsContact O-N 3.1Å; V23-I26 PolarHBondContact O-N 2.91Å; K24-I26 PolarHBondContact O-N 3.29Å; I26-H30 WeakPolarHBondContact O-CB 3.49Å; I26-H30 PolarHBondContact O-N 3.44Å |
| 27 | Q | 59.7 | Low | 61.8 | Low | 123 Ų | 123 | 112.3 Ų | 112.3 | 58% | 0.575 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.5 | -39.9 | 175 | -83.9 | 177.6 | -33.5 | 0 | 0 | 112 | V23 K24 H30 V31 | V23-Q27 PolarHBondContact O-N 3.02Å; K24-Q27 PolarHBondContact O-N 3.37Å; Q27-H30 PolarHBondContact O-N 3.44Å; Q27-V31 WeakPolarHBondContact O-CB 3.41Å; Q27-V31 VanDerWaalsContact O-CG2 3.28Å; Q27-V31 WeakPolarHBondContact O-CG2 3.28Å; Q27-V31 PolarHBondContact O-N 3Å |
| 28 | D | 61.1 | Low | 62.2 | Low | 94 Ų | 94 | 117 Ų | 117 | 50% | 0.503 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 176.8 | -73.2 | -21.6 | 0 | 0 | 0 | 111.9 | K24 R25 V31 N32 | K24-D28 PolarHBondContact O-N 3.49Å; R25-D28 PolarHBondContact O-N 3.03Å; D28-V31 PolarHBondContact O-N 3.35Å; D28-N32 PolarHBondContact O-N 2.98Å; D28-N32 PolarHBondContact O-ND2 3.43Å |
| 29 | D | 60.4 | Low | 62.9 | Low | 105 Ų | 105 | 116.3 Ų | 116.3 | 56% | 0.561 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.1 | -38.1 | 173.7 | -82.5 | -10.1 | 0 | 0 | 0 | 112.3 | R25 N32 N33 | R25-D29 PolarHBondContact O-N 3.49Å; D29-N32 PolarHBondContact O-N 3.49Å; D29-N33 PolarHBondContact O-N 3.01Å |
| 30 | H | 60.6 | Low | 63.2 | Low | 125 Ų | 125 | 115.3 Ų | 115.3 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69 | -37.3 | 177.1 | -164.2 | 60.5 | 0 | 0 | 0 | 112.5 | I26 Q27 M34 | I26-H30 WeakPolarHBondContact O-CB 3.49Å; I26-H30 PolarHBondContact O-N 3.44Å; Q27-H30 PolarHBondContact O-N 3.44Å; H30-M34 WeakPolarHBondContact O-CB 3.37Å; H30-M34 WeakPolarHBondContact O-CG 3.44Å; H30-M34 PolarHBondContact O-N 2.96Å |
| 31 | V | 62.5 | Low | 63.6 | Low | 79 Ų | 79 | 114.5 Ų | 114.5 | 48% | 0.479 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.4 | -36.4 | 175.5 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | Q27 D28 K35 | Q27-V31 WeakPolarHBondContact O-CB 3.41Å; Q27-V31 VanDerWaalsContact O-CG2 3.28Å; Q27-V31 WeakPolarHBondContact O-CG2 3.28Å; Q27-V31 PolarHBondContact O-N 3Å; D28-V31 PolarHBondContact O-N 3.35Å; V31-K35 PolarHBondContact O-N 3.05Å; V31-K35 VanDerWaalsContact O-N 3.08Å |
| 32 | N | 60.8 | Low | 64.2 | Low | 94 Ų | 94 | 117.4 Ų | 117.4 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68 | -46.2 | 174.3 | -79.1 | -24.1 | 0 | 0 | 0 | 112.1 | D28 D29 M34 K35 E36 | D28-N32 PolarHBondContact O-N 2.98Å; D28-N32 PolarHBondContact O-ND2 3.43Å; D29-N32 PolarHBondContact O-N 3.49Å; N32-M34 VanDerWaalsContact C-N 3.32Å; N32-M34 PolarHBondContact O-N 3.01Å; N32-K35 WeakPolarHBondContact O-CB 3.5Å; N32-K35 PolarHBondContact O-N 3.38Å; N32-E36 PolarHBondContact O-N 3.43Å |
| 33 | N | 60.8 | Low | 64.9 | Low | 101 Ų | 101 | 112.7 Ų | 112.7 | 54% | 0.54 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 175.6 | -111.1 | -12.9 | 0 | 0 | 0 | 112.2 | D29 K35 E36 L37 | D29-N33 PolarHBondContact O-N 3.01Å; N33-K35 VanDerWaalsContact C-N 3.29Å; N33-K35 PolarHBondContact O-N 2.97Å; N33-E36 PolarHBondContact O-N 3.08Å; N33-L37 PolarHBondContact O-N 3.07Å |
| 34 | M | 68 | Low | 65.3 | Low | 83 Ų | 83 | 112.1 Ų | 112.1 | 41% | 0.409 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.8 | -24.5 | 175.9 | -80.4 | -67.1 | -65.8 | 0 | 0 | 113.6 | H30 N32 R38 | H30-M34 WeakPolarHBondContact O-CB 3.37Å; H30-M34 WeakPolarHBondContact O-CG 3.44Å; H30-M34 PolarHBondContact O-N 2.96Å; N32-M34 VanDerWaalsContact C-N 3.32Å; N32-M34 PolarHBondContact O-N 3.01Å; M34-R38 WeakPolarHBondContact O-CG 3.46Å; M34-R38 PolarHBondContact O-N 3.42Å |
| 35 | K | 64.6 | Low | 65.7 | Low | 138 Ų | 138 | 110.7 Ų | 110.7 | 60% | 0.6 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -76.3 | -43 | 171.6 | -90.6 | -176.3 | 173.9 | 179 | 0 | 111.7 | V31 N32 N33 R38 E39 | V31-K35 PolarHBondContact O-N 3.05Å; V31-K35 VanDerWaalsContact O-N 3.08Å; N32-K35 WeakPolarHBondContact O-CB 3.5Å; N32-K35 PolarHBondContact O-N 3.38Å; N33-K35 VanDerWaalsContact C-N 3.29Å; N33-K35 PolarHBondContact O-N 2.97Å; K35-R38 PolarHBondContact O-N 3.36Å; K35-E39 PolarHBondContact O-N 3.41Å; K35-E39 VanDerWaalsContact O-N 3.08Å |
| 36 | E | 61.2 | Low | 66.2 | Low | 131 Ų | 131 | 104.7 Ų | 104.7 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.3 | -47.1 | 174.7 | -96.1 | 178.5 | 159.6 | 0 | 0 | 111.6 | N32 N33 R38 E39 E40 | N32-E36 PolarHBondContact O-N 3.43Å; N33-E36 PolarHBondContact O-N 3.08Å; E36-R38 VanDerWaalsContact C-N 3.26Å; E36-R38 PolarHBondContact O-N 3.48Å; E36-E39 PolarHBondContact O-N 2.86Å; E36-E39 VanDerWaalsContact O-N 3.11Å; E36-E40 PolarHBondContact O-N 3.08Å |
| 37 | L | 70 | Confident | 66.9 | Low | 88 Ų | 88 | 105.3 Ų | 105.3 | 46% | 0.461 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60 | -33.9 | 177.3 | -116.1 | 145.8 | 0 | 0 | 0 | 113.3 | N33 Q41 | N33-L37 PolarHBondContact O-N 3.07Å; L37-Q41 WeakPolarHBondContact O-CB 3.43Å; L37-Q41 WeakPolarHBondContact O-CG 3.29Å; L37-Q41 PolarHBondContact O-N 2.95Å; L37-Q41 VanDerWaalsContact O-N 3.07Å |
| 38 | R | 69.1 | Low | 67.5 | Low | 163 Ų | 163 | 106.2 Ų | 106.2 | 62% | 0.615 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73.3 | -37.3 | 175.5 | -79.4 | -172.3 | -139.3 | 162.6 | 4.6 | 112.7 | M34 K35 E36 R42 | M34-R38 WeakPolarHBondContact O-CG 3.46Å; M34-R38 PolarHBondContact O-N 3.42Å; K35-R38 PolarHBondContact O-N 3.36Å; E36-R38 VanDerWaalsContact C-N 3.26Å; E36-R38 PolarHBondContact O-N 3.48Å; R38-R42 WeakPolarHBondContact O-CB 3.36Å; R38-R42 PolarHBondContact O-N 3.34Å |
| 39 | E | 69.9 | Low | 68.2 | Low | 86 Ų | 86 | 109 Ų | 109 | 40% | 0.402 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.6 | -38.3 | 177.8 | -167.1 | 58.5 | -156.2 | 0 | 0 | 111.1 | K35 E36 Q41 R42 I43 | K35-E39 PolarHBondContact O-N 3.41Å; K35-E39 VanDerWaalsContact O-N 3.08Å; E36-E39 PolarHBondContact O-N 2.86Å; E36-E39 VanDerWaalsContact O-N 3.11Å; E39-Q41 PolarHBondContact O-N 2.85Å; E39-R42 WeakPolarHBondContact O-CB 3.33Å; E39-R42 PolarHBondContact O-N 2.91Å; E39-R42 IonicContact OE1-CZ 3.73Å; E39-R42 IonicContact OE1-NE 2.95Å; E39-R42 PolarHBondContact OE1-NE 3.31Å; E39-R42 IonicContact OE1-NH2 3.18Å; E39-R42 PolarHBondContact OE1-NH2 3.11Å; E39-R42 IonicContact OE2-NE 3.27Å; E39-R42 PolarHBondContact OE2-NE 2.9Å; E39-I43 HydrophobicContact CG-CD1 4.15Å; E39-I43 VanDerWaalsContact O-CG1 3.31Å; E39-I43 WeakPolarHBondContact O-CG1 3.31Å; E39-I43 PolarHBondContact O-N 3.18Å |
| 40 | E | 70.6 | Confident | 69 | Low | 134 Ų | 134 | 111.4 Ų | 111.4 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.5 | -45.1 | 170.5 | -77.1 | -171.1 | 158.5 | 0 | 0 | 112 | E36 R42 I43 A44 | E36-E40 PolarHBondContact O-N 3.08Å; E40-R42 VanDerWaalsContact C-N 3.31Å; E40-R42 PolarHBondContact O-N 3.25Å; E40-I43 PolarHBondContact O-N 3.25Å; E40-A44 WeakPolarHBondContact O-CB 3.43Å; E40-A44 PolarHBondContact O-N 2.98Å |
| 41 | Q | 69.2 | Low | 69.8 | Low | 119 Ų | 119 | 108.4 Ų | 108.4 | 56% | 0.556 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.2 | -36.7 | 175.2 | -80 | -176.4 | -7.8 | 0 | 0 | 112.5 | L37 E39 L45 | L37-Q41 WeakPolarHBondContact O-CB 3.43Å; L37-Q41 WeakPolarHBondContact O-CG 3.29Å; L37-Q41 PolarHBondContact O-N 2.95Å; L37-Q41 VanDerWaalsContact O-N 3.07Å; E39-Q41 PolarHBondContact O-N 2.85Å; Q41-L45 WeakPolarHBondContact O-CB 3.38Å; Q41-L45 PolarHBondContact O-N 2.95Å |
| 42 | R | 76.2 | Confident | 70.5 | Confident | 151 Ų | 151 | 108.5 Ų | 108.5 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.9 | -42.7 | 177.1 | -162.4 | -171.6 | 77.4 | 90.4 | 4.9 | 111.3 | R38 E39 E40 L45 A46 | R38-R42 WeakPolarHBondContact O-CB 3.36Å; R38-R42 PolarHBondContact O-N 3.34Å; E39-R42 WeakPolarHBondContact O-CB 3.33Å; E39-R42 PolarHBondContact O-N 2.91Å; E39-R42 IonicContact OE1-CZ 3.73Å; E39-R42 IonicContact OE1-NE 2.95Å; E39-R42 PolarHBondContact OE1-NE 3.31Å; E39-R42 IonicContact OE1-NH2 3.18Å; E39-R42 PolarHBondContact OE1-NH2 3.11Å; E39-R42 IonicContact OE2-NE 3.27Å; E39-R42 PolarHBondContact OE2-NE 2.9Å; E40-R42 VanDerWaalsContact C-N 3.31Å; E40-R42 PolarHBondContact O-N 3.25Å; R42-L45 PolarHBondContact O-N 2.96Å; R42-A46 WeakPolarHBondContact O-CB 3.36Å; R42-A46 PolarHBondContact O-N 3.09Å |
| 43 | I | 74.5 | Confident | 71.3 | Confident | 82 Ų | 82 | 109.1 Ų | 109.1 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 175.1 | -67.5 | 162.4 | 0 | 0 | 0 | 109.8 | E39 E40 L45 A46 D47 | E39-I43 HydrophobicContact CG-CD1 4.15Å; E39-I43 VanDerWaalsContact O-CG1 3.31Å; E39-I43 WeakPolarHBondContact O-CG1 3.31Å; E39-I43 PolarHBondContact O-N 3.18Å; E40-I43 PolarHBondContact O-N 3.25Å; I43-L45 VanDerWaalsContact C-N 3.32Å; I43-L45 PolarHBondContact O-N 3.27Å; I43-A46 PolarHBondContact O-N 2.95Å; I43-A46 VanDerWaalsContact O-N 3.09Å; I43-D47 PolarHBondContact O-N 2.88Å |
| 44 | A | 69 | Low | 72.2 | Confident | 59 Ų | 59 | 107.2 Ų | 107.2 | 49% | 0.488 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60 | -38.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E40 K48 | E40-A44 WeakPolarHBondContact O-CB 3.43Å; E40-A44 PolarHBondContact O-N 2.98Å; A44-K48 VanDerWaalsContact O-CB 3.29Å; A44-K48 WeakPolarHBondContact O-CB 3.5Å; A44-K48 PolarHBondContact O-N 3.44Å |
| 45 | L | 71.4 | Confident | 72.7 | Confident | 111 Ų | 111 | 108.9 Ų | 108.9 | 58% | 0.581 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.5 | -36.6 | 174.5 | -89.4 | 159.2 | 0 | 0 | 0 | 112.8 | Q41 R42 I43 K49 | Q41-L45 WeakPolarHBondContact O-CB 3.38Å; Q41-L45 PolarHBondContact O-N 2.95Å; R42-L45 PolarHBondContact O-N 2.96Å; I43-L45 VanDerWaalsContact C-N 3.32Å; I43-L45 PolarHBondContact O-N 3.27Å; L45-K49 PolarHBondContact O-N 3.25Å |
| 46 | A | 70 | Confident | 73.7 | Confident | 49 Ų | 49 | 107.6 Ų | 107.6 | 41% | 0.405 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.5 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R42 I43 K49 K50 | R42-A46 WeakPolarHBondContact O-CB 3.36Å; R42-A46 PolarHBondContact O-N 3.09Å; I43-A46 PolarHBondContact O-N 2.95Å; I43-A46 VanDerWaalsContact O-N 3.09Å; A46-K49 PolarHBondContact O-N 2.9Å; A46-K50 WeakPolarHBondContact O-CB 3.43Å; A46-K50 PolarHBondContact O-N 2.88Å |
| 47 | D | 75.1 | Confident | 74.8 | Confident | 97 Ų | 97 | 107 Ų | 107 | 52% | 0.519 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 176 | -74.9 | -19.6 | 0 | 0 | 0 | 111.4 | I43 K50 S51 | I43-D47 PolarHBondContact O-N 2.88Å; D47-K50 PolarHBondContact O-N 2.8Å; D47-S51 WeakPolarHBondContact O-CB 3.41Å; D47-S51 PolarHBondContact O-N 2.98Å |
| 48 | K | 72 | Confident | 75.5 | Confident | 142 Ų | 142 | 106.9 Ų | 106.9 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.6 | -38.8 | 174.5 | -159.7 | 172.8 | -172.2 | 176.5 | 0 | 112.4 | A44 N52 | A44-K48 VanDerWaalsContact O-CB 3.29Å; A44-K48 WeakPolarHBondContact O-CB 3.5Å; A44-K48 PolarHBondContact O-N 3.44Å; K48-N52 WeakPolarHBondContact O-CB 3.38Å; K48-N52 PolarHBondContact O-N 2.86Å |
| 49 | K | 76.8 | Confident | 76.1 | Confident | 152 Ų | 152 | 105.3 Ų | 105.3 | 66% | 0.661 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.8 | -40.2 | 172.2 | -82.4 | -174.1 | 176.9 | -177 | 0 | 112.1 | L45 A46 N53 | L45-K49 PolarHBondContact O-N 3.25Å; A46-K49 PolarHBondContact O-N 2.9Å; K49-N53 WeakPolarHBondContact O-CB 3.43Å; K49-N53 PolarHBondContact O-N 3.43Å |
| 50 | K | 76.5 | Confident | 76.8 | Confident | 155 Ų | 155 | 109.5 Ų | 109.5 | 67% | 0.674 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.7 | -42 | 177.4 | -166.8 | 177 | 179.5 | -175.4 | 0 | 111.5 | A46 D47 N53 S54 | A46-K50 WeakPolarHBondContact O-CB 3.43Å; A46-K50 PolarHBondContact O-N 2.88Å; D47-K50 PolarHBondContact O-N 2.8Å; K50-N53 PolarHBondContact O-N 3.29Å; K50-S54 WeakPolarHBondContact O-CB 3.37Å; K50-S54 PolarHBondContact O-N 3.41Å |
| 51 | S | 77.9 | Confident | 77.5 | Confident | 62 Ų | 62 | 107.2 Ų | 107.2 | 43% | 0.434 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -49.1 | 173.7 | -167.7 | 0 | 0 | 0 | 0 | 111.5 | D47 N53 S54 E55 | D47-S51 WeakPolarHBondContact O-CB 3.41Å; D47-S51 PolarHBondContact O-N 2.98Å; S51-N53 VanDerWaalsContact C-N 3.33Å; S51-N53 PolarHBondContact O-N 3.41Å; S51-S54 PolarHBondContact O-N 2.91Å; S51-S54 VanDerWaalsContact O-N 3.17Å; S51-E55 PolarHBondContact O-N 3.42Å |
| 52 | N | 77.1 | Confident | 78.3 | Confident | 82 Ų | 82 | 107.4 Ų | 107.4 | 44% | 0.439 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 177.1 | -81.7 | 14.4 | 0 | 0 | 0 | 112.2 | K48 E55 L56 | K48-N52 WeakPolarHBondContact O-CB 3.38Å; K48-N52 PolarHBondContact O-N 2.86Å; N52-E55 PolarHBondContact O-N 2.91Å; N52-L56 WeakPolarHBondContact O-CB 3.37Å; N52-L56 VanDerWaalsContact O-CG 3.25Å; N52-L56 WeakPolarHBondContact O-CG 3.46Å; N52-L56 PolarHBondContact O-N 3.45Å |
| 53 | N | 77.7 | Confident | 78.8 | Confident | 106 Ų | 106 | 105.5 Ų | 105.5 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.6 | -41.7 | 174.8 | -84.5 | 3 | 0 | 0 | 0 | 111.4 | K49 K50 S51 L56 E57 | K49-N53 WeakPolarHBondContact O-CB 3.43Å; K49-N53 PolarHBondContact O-N 3.43Å; K50-N53 PolarHBondContact O-N 3.29Å; S51-N53 VanDerWaalsContact C-N 3.33Å; S51-N53 PolarHBondContact O-N 3.41Å; N53-L56 PolarHBondContact O-N 2.9Å; N53-E57 VanDerWaalsContact O-CB 3.3Å; N53-E57 WeakPolarHBondContact O-CB 3.3Å; N53-E57 PolarHBondContact O-N 3.46Å |
| 54 | S | 79.2 | Confident | 79.4 | Confident | 62 Ų | 62 | 106 Ų | 106 | 43% | 0.434 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 175.8 | -171.2 | 0 | 0 | 0 | 0 | 112.3 | K50 S51 E57 N58 | K50-S54 WeakPolarHBondContact O-CB 3.37Å; K50-S54 PolarHBondContact O-N 3.41Å; S51-S54 PolarHBondContact O-N 2.91Å; S51-S54 VanDerWaalsContact O-N 3.17Å; S54-E57 PolarHBondContact O-N 3.17Å; S54-N58 WeakPolarHBondContact O-CB 3.49Å; S54-N58 PolarHBondContact O-N 2.92Å; S54-N58 PolarHBondContact O-ND2 2.86Å |
| 55 | E | 79.6 | Confident | 80.2 | Confident | 117 Ų | 117 | 107.9 Ų | 107.9 | 55% | 0.547 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 174.9 | -81.5 | -175.9 | 176.9 | 0 | 0 | 112.2 | S51 N52 K59 | S51-E55 PolarHBondContact O-N 3.42Å; N52-E55 PolarHBondContact O-N 2.91Å; E55-K59 WeakPolarHBondContact O-CB 3.25Å; E55-K59 PolarHBondContact O-N 2.9Å |
| 56 | L | 84.1 | Confident | 80.9 | Confident | 112 Ų | 112 | 107.5 Ų | 107.5 | 59% | 0.586 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.9 | -38 | 175.5 | -74.6 | 172.4 | 0 | 0 | 0 | 111.9 | N52 N53 K59 R60 | N52-L56 WeakPolarHBondContact O-CB 3.37Å; N52-L56 VanDerWaalsContact O-CG 3.25Å; N52-L56 WeakPolarHBondContact O-CG 3.46Å; N52-L56 PolarHBondContact O-N 3.45Å; N53-L56 PolarHBondContact O-N 2.9Å; L56-K59 PolarHBondContact O-N 3.35Å; L56-R60 WeakPolarHBondContact O-CB 3.38Å; L56-R60 PolarHBondContact O-N 2.95Å |
| 57 | E | 84.1 | Confident | 81.7 | Confident | 117 Ų | 117 | 109.8 Ų | 109.8 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.8 | -40.7 | 176.7 | -167.4 | 138.3 | -150.9 | 0 | 0 | 111.4 | N53 S54 R60 N61 | N53-E57 VanDerWaalsContact O-CB 3.3Å; N53-E57 WeakPolarHBondContact O-CB 3.3Å; N53-E57 PolarHBondContact O-N 3.46Å; S54-E57 PolarHBondContact O-N 3.17Å; E57-R60 PolarHBondContact O-N 2.89Å; E57-N61 VanDerWaalsContact O-CG 3.24Å; E57-N61 PolarHBondContact O-N 3.22Å; E57-N61 PolarHBondContact O-ND2 3.4Å |
| 58 | N | 85.2 | Confident | 82.2 | Confident | 87 Ų | 87 | 110.3 Ų | 110.3 | 47% | 0.465 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 171 | -71.8 | -13.3 | 0 | 0 | 0 | 111.6 | S54 R60 N61 E62 | S54-N58 WeakPolarHBondContact O-CB 3.49Å; S54-N58 PolarHBondContact O-N 2.92Å; S54-N58 PolarHBondContact O-ND2 2.86Å; N58-R60 VanDerWaalsContact C-N 3.31Å; N58-R60 PolarHBondContact O-N 3.34Å; N58-N61 PolarHBondContact O-N 2.93Å; N58-E62 WeakPolarHBondContact O-CG 3.45Å; N58-E62 PolarHBondContact O-N 3.24Å |
| 59 | K | 81.7 | Confident | 82.9 | Confident | 129 Ų | 129 | 108.8 Ų | 108.8 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.3 | -37.6 | 174.4 | -93.8 | 175.4 | 174.6 | 169.3 | 0 | 113.1 | E55 L56 E62 L63 | E55-K59 WeakPolarHBondContact O-CB 3.25Å; E55-K59 PolarHBondContact O-N 2.9Å; L56-K59 PolarHBondContact O-N 3.35Å; K59-E62 PolarHBondContact O-N 3.42Å; K59-L63 WeakPolarHBondContact O-CB 3.34Å; K59-L63 WeakPolarHBondContact O-CG 3.45Å; K59-L63 PolarHBondContact O-N 2.87Å |
| 60 | R | 85.2 | Confident | 83.3 | Confident | 175 Ų | 175 | 107.9 Ų | 107.9 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.9 | -41.5 | 176.4 | -172.9 | -178.8 | -179.7 | -174.3 | -0.3 | 111.1 | L56 E57 N58 L63 Q64 | L56-R60 WeakPolarHBondContact O-CB 3.38Å; L56-R60 PolarHBondContact O-N 2.95Å; E57-R60 PolarHBondContact O-N 2.89Å; N58-R60 VanDerWaalsContact C-N 3.31Å; N58-R60 PolarHBondContact O-N 3.34Å; R60-L63 PolarHBondContact O-N 2.96Å; R60-Q64 WeakPolarHBondContact O-CB 3.45Å; R60-Q64 PolarHBondContact O-N 3.47Å |
| 61 | N | 85.4 | Confident | 83.9 | Confident | 85 Ų | 85 | 107.6 Ų | 107.6 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 176.3 | -68 | -21.3 | 0 | 0 | 0 | 111.7 | E57 N58 Q64 L65 | E57-N61 VanDerWaalsContact O-CG 3.24Å; E57-N61 PolarHBondContact O-N 3.22Å; E57-N61 PolarHBondContact O-ND2 3.4Å; N58-N61 PolarHBondContact O-N 2.93Å; N61-Q64 PolarHBondContact O-N 2.89Å; N61-L65 WeakPolarHBondContact O-CB 3.13Å; N61-L65 PolarHBondContact O-N 2.87Å |
| 62 | E | 86.6 | Confident | 84.4 | Confident | 124 Ų | 124 | 107.1 Ų | 107.1 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.5 | -48.8 | 172.8 | -75.6 | 173.3 | 176.9 | 0 | 0 | 111.6 | N58 K59 Q64 L65 E66 | N58-E62 WeakPolarHBondContact O-CG 3.45Å; N58-E62 PolarHBondContact O-N 3.24Å; K59-E62 PolarHBondContact O-N 3.42Å; E62-Q64 VanDerWaalsContact C-N 3.32Å; E62-Q64 PolarHBondContact O-N 3.18Å; E62-L65 WeakPolarHBondContact O-CB 3.43Å; E62-L65 PolarHBondContact O-N 3.45Å; E62-E66 PolarHBondContact O-N 3.34Å |
| 63 | L | 86.2 | Confident | 84.8 | Confident | 110 Ų | 110 | 107.4 Ų | 107.4 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63 | -37.3 | 177.5 | -75.1 | 172.1 | 0 | 0 | 0 | 112.7 | K59 R60 E66 E67 | K59-L63 WeakPolarHBondContact O-CB 3.34Å; K59-L63 WeakPolarHBondContact O-CG 3.45Å; K59-L63 PolarHBondContact O-N 2.87Å; R60-L63 PolarHBondContact O-N 2.96Å; L63-E66 PolarHBondContact O-N 2.89Å; L63-E67 WeakPolarHBondContact O-CB 3.36Å; L63-E67 PolarHBondContact O-N 3.4Å |
| 64 | Q | 86.4 | Confident | 85.3 | Confident | 93 Ų | 93 | 106.3 Ų | 106.3 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -39.8 | 175.8 | -171.5 | 177.3 | -21.4 | 0 | 0 | 111.2 | R60 N61 E62 E67 E68 | R60-Q64 WeakPolarHBondContact O-CB 3.45Å; R60-Q64 PolarHBondContact O-N 3.47Å; N61-Q64 PolarHBondContact O-N 2.89Å; E62-Q64 VanDerWaalsContact C-N 3.32Å; E62-Q64 PolarHBondContact O-N 3.18Å; Q64-E67 PolarHBondContact O-N 3.4Å; Q64-E68 PolarHBondContact NE2-OE1 3.43Å; Q64-E68 WeakPolarHBondContact O-CB 3.42Å; Q64-E68 WeakPolarHBondContact O-CG 3.36Å; Q64-E68 PolarHBondContact O-N 2.92Å |
| 65 | L | 86.8 | Confident | 85.8 | Confident | 99 Ų | 99 | 109.6 Ų | 109.6 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 174.8 | -157.9 | 89.1 | 0 | 0 | 0 | 111.4 | N61 E62 E68 Q69 | N61-L65 WeakPolarHBondContact O-CB 3.13Å; N61-L65 PolarHBondContact O-N 2.87Å; E62-L65 WeakPolarHBondContact O-CB 3.43Å; E62-L65 PolarHBondContact O-N 3.45Å; L65-E68 PolarHBondContact O-N 3.36Å; L65-Q69 VanDerWaalsContact O-CG 3.31Å; L65-Q69 WeakPolarHBondContact O-CG 3.32Å; L65-Q69 PolarHBondContact O-N 2.92Å |
| 66 | E | 86.5 | Confident | 86.1 | Confident | 102 Ų | 102 | 108.6 Ų | 108.6 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 173.3 | -75.2 | -176.2 | 172.8 | 0 | 0 | 111.5 | E62 L63 E68 Q69 F70 | E62-E66 PolarHBondContact O-N 3.34Å; L63-E66 PolarHBondContact O-N 2.89Å; E66-E68 PolarHBondContact O-N 3.5Å; E66-Q69 PolarHBondContact O-N 3.32Å; E66-F70 WeakPolarHBondContact O-CD2 3.45Å; E66-F70 PolarHBondContact O-N 2.88Å |
| 67 | E | 85.3 | Confident | 86.4 | Confident | 98 Ų | 98 | 108.8 Ų | 108.8 | 46% | 0.458 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 176.8 | -167 | -170.7 | 157.2 | 0 | 0 | 111.5 | L63 Q64 Q69 F70 R71 | L63-E67 WeakPolarHBondContact O-CB 3.36Å; L63-E67 PolarHBondContact O-N 3.4Å; Q64-E67 PolarHBondContact O-N 3.4Å; E67-Q69 VanDerWaalsContact C-N 3.35Å; E67-Q69 PolarHBondContact O-N 3.39Å; E67-F70 PolarHBondContact O-N 3.46Å; E67-R71 WeakPolarHBondContact O-CB 3.36Å; E67-R71 WeakPolarHBondContact O-CG 3.31Å; E67-R71 PolarHBondContact O-N 3.23Å; E67-R71 IonicContact OE1-CZ 3.76Å; E67-R71 VanDerWaalsContact OE1-CZ 3.27Å; E67-R71 IonicContact OE1-NE 3.36Å; E67-R71 PolarHBondContact OE1-NE 2.73Å; E67-R71 IonicContact OE1-NH2 3.94Å; E67-R71 PolarHBondContact OE1-NH2 2.96Å |
| 68 | E | 86 | Confident | 86.6 | Confident | 107 Ų | 107 | 107.6 Ų | 107.6 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 175.7 | -75.4 | 174.6 | -169 | 0 | 0 | 111.7 | Q64 L65 E66 R71 S72 | Q64-E68 PolarHBondContact NE2-OE1 3.43Å; Q64-E68 WeakPolarHBondContact O-CB 3.42Å; Q64-E68 WeakPolarHBondContact O-CG 3.36Å; Q64-E68 PolarHBondContact O-N 2.92Å; L65-E68 PolarHBondContact O-N 3.36Å; E66-E68 PolarHBondContact O-N 3.5Å; E68-R71 PolarHBondContact O-N 2.94Å; E68-S72 WeakPolarHBondContact O-CB 3.46Å; E68-S72 PolarHBondContact O-N 3.44Å |
| 69 | Q | 86 | Confident | 86.8 | Confident | 111 Ų | 111 | 109 Ų | 109 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 174 | -74.4 | 178.8 | 7 | 0 | 0 | 112.3 | L65 E66 E67 S72 N73 | L65-Q69 VanDerWaalsContact O-CG 3.31Å; L65-Q69 WeakPolarHBondContact O-CG 3.32Å; L65-Q69 PolarHBondContact O-N 2.92Å; E66-Q69 PolarHBondContact O-N 3.32Å; E67-Q69 VanDerWaalsContact C-N 3.35Å; E67-Q69 PolarHBondContact O-N 3.39Å; Q69-S72 PolarHBondContact O-N 3.33Å; Q69-N73 WeakPolarHBondContact O-CB 3.47Å; Q69-N73 VanDerWaalsContact O-CG 3.26Å; Q69-N73 PolarHBondContact O-N 2.85Å; Q69-N73 PolarHBondContact O-ND2 2.88Å |
| 70 | F | 85.8 | Confident | 87 | Confident | 132 Ų | 132 | 105.8 Ų | 105.8 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.2 | -42 | 175.7 | -81.7 | -64 | 0 | 0 | 0 | 112.1 | E66 E67 N73 I74 | E66-F70 WeakPolarHBondContact O-CD2 3.45Å; E66-F70 PolarHBondContact O-N 2.88Å; E67-F70 PolarHBondContact O-N 3.46Å; F70-N73 PolarHBondContact O-N 3.48Å; F70-I74 VanDerWaalsContact O-CG1 3.31Å; F70-I74 WeakPolarHBondContact O-CG1 3.44Å; F70-I74 PolarHBondContact O-N 2.96Å |
| 71 | R | 88.4 | Confident | 87.3 | Confident | 149 Ų | 149 | 103.6 Ų | 103.6 | 56% | 0.562 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -44.5 | 175 | -75.7 | 175 | -179 | -95.7 | 2.9 | 111.7 | E67 E68 I74 Q75 | E67-R71 WeakPolarHBondContact O-CB 3.36Å; E67-R71 WeakPolarHBondContact O-CG 3.31Å; E67-R71 PolarHBondContact O-N 3.23Å; E67-R71 IonicContact OE1-CZ 3.76Å; E67-R71 VanDerWaalsContact OE1-CZ 3.27Å; E67-R71 IonicContact OE1-NE 3.36Å; E67-R71 PolarHBondContact OE1-NE 2.73Å; E67-R71 IonicContact OE1-NH2 3.94Å; E67-R71 PolarHBondContact OE1-NH2 2.96Å; E68-R71 PolarHBondContact O-N 2.94Å; R71-I74 PolarHBondContact O-N 3.39Å; R71-Q75 WeakPolarHBondContact O-CG 3.35Å; R71-Q75 PolarHBondContact O-N 2.89Å |
| 72 | S | 88.7 | Confident | 87.4 | Confident | 53 Ų | 53 | 107.1 Ų | 107.1 | 37% | 0.371 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 175.5 | -174 | 0 | 0 | 0 | 0 | 111.6 | E68 Q69 I74 Q75 N76 | E68-S72 WeakPolarHBondContact O-CB 3.46Å; E68-S72 PolarHBondContact O-N 3.44Å; Q69-S72 PolarHBondContact O-N 3.33Å; S72-I74 PolarHBondContact O-N 3.29Å; S72-Q75 PolarHBondContact O-N 2.89Å; S72-N76 WeakPolarHBondContact O-CB 3.45Å; S72-N76 VanDerWaalsContact O-CG 3.25Å; S72-N76 PolarHBondContact O-N 3.29Å; S72-N76 PolarHBondContact O-ND2 3.33Å |
| 73 | N | 85.4 | Confident | 87.5 | Confident | 88 Ų | 88 | 105.8 Ų | 105.8 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 176.8 | -73.6 | -22 | 0 | 0 | 0 | 112.4 | Q69 F70 N76 M77 | Q69-N73 WeakPolarHBondContact O-CB 3.47Å; Q69-N73 VanDerWaalsContact O-CG 3.26Å; Q69-N73 PolarHBondContact O-N 2.85Å; Q69-N73 PolarHBondContact O-ND2 2.88Å; F70-N73 PolarHBondContact O-N 3.48Å; N73-N76 PolarHBondContact O-N 3.23Å; N73-M77 WeakPolarHBondContact O-CB 3.37Å; N73-M77 WeakPolarHBondContact O-CG 3.29Å; N73-M77 PolarHBondContact O-N 3.29Å |
| 74 | I | 89.1 | Confident | 87.7 | Confident | 82 Ų | 82 | 106.2 Ų | 106.2 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 174.8 | -69.7 | 167.2 | 0 | 0 | 0 | 110.6 | F70 R71 S72 N76 M77 E78 | F70-I74 VanDerWaalsContact O-CG1 3.31Å; F70-I74 WeakPolarHBondContact O-CG1 3.44Å; F70-I74 PolarHBondContact O-N 2.96Å; R71-I74 PolarHBondContact O-N 3.39Å; S72-I74 PolarHBondContact O-N 3.29Å; I74-N76 VanDerWaalsContact C-N 3.31Å; I74-N76 PolarHBondContact O-N 2.83Å; I74-M77 HydrophobicContact CG1-CE 4.09Å; I74-M77 PolarHBondContact O-N 2.92Å; I74-E78 HydrophobicContact CG2-CG 4.38Å; I74-E78 WeakPolarHBondContact O-CB 3.49Å; I74-E78 WeakPolarHBondContact O-CG 3.49Å; I74-E78 PolarHBondContact O-N 3.36Å |
| 75 | Q | 88.5 | Confident | 87.7 | Confident | 132 Ų | 132 | 103.9 Ų | 103.9 | 62% | 0.617 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.2 | -40.7 | 177.1 | -74.1 | 178.3 | -13.1 | 0 | 0 | 112.1 | R71 S72 H79 | R71-Q75 WeakPolarHBondContact O-CG 3.35Å; R71-Q75 PolarHBondContact O-N 2.89Å; S72-Q75 PolarHBondContact O-N 2.89Å; Q75-H79 VanDerWaalsContact O-CB 3.29Å; Q75-H79 WeakPolarHBondContact O-CB 3.27Å; Q75-H79 PolarHBondContact O-N 3.44Å |
| 76 | N | 87.8 | Confident | 87.8 | Confident | 96 Ų | 96 | 105 Ų | 105 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 176.3 | -71.6 | -25.9 | 0 | 0 | 0 | 112 | S72 N73 I74 H79 S80 | S72-N76 WeakPolarHBondContact O-CB 3.45Å; S72-N76 VanDerWaalsContact O-CG 3.25Å; S72-N76 PolarHBondContact O-N 3.29Å; S72-N76 PolarHBondContact O-ND2 3.33Å; N73-N76 PolarHBondContact O-N 3.23Å; I74-N76 VanDerWaalsContact C-N 3.31Å; I74-N76 PolarHBondContact O-N 2.83Å; N76-H79 PolarHBondContact O-N 2.84Å; N76-S80 WeakPolarHBondContact O-CB 3.48Å; N76-S80 PolarHBondContact O-N 3.22Å |
| 77 | M | 89.3 | Confident | 87.8 | Confident | 115 Ų | 115 | 106 Ų | 106 | 57% | 0.567 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -46.2 | 174.9 | -73.8 | -173.2 | -62.1 | 0 | 0 | 111.7 | N73 I74 H79 S80 M81 | N73-M77 WeakPolarHBondContact O-CB 3.37Å; N73-M77 WeakPolarHBondContact O-CG 3.29Å; N73-M77 PolarHBondContact O-N 3.29Å; I74-M77 HydrophobicContact CG1-CE 4.09Å; I74-M77 PolarHBondContact O-N 2.92Å; M77-H79 VanDerWaalsContact C-N 3.3Å; M77-H79 PolarHBondContact O-N 3.47Å; M77-S80 WeakPolarHBondContact O-CB 3.36Å; M77-S80 PolarHBondContact O-N 2.88Å; M77-M81 WeakPolarHBondContact O-CG 3.31Å; M77-M81 PolarHBondContact O-N 2.89Å |
| 78 | E | 89 | Confident | 87.9 | Confident | 92 Ų | 92 | 107.5 Ų | 107.5 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 175.2 | -76 | -171.7 | -171.3 | 0 | 0 | 111.7 | I74 M81 R82 | I74-E78 HydrophobicContact CG2-CG 4.38Å; I74-E78 WeakPolarHBondContact O-CB 3.49Å; I74-E78 WeakPolarHBondContact O-CG 3.49Å; I74-E78 PolarHBondContact O-N 3.36Å; E78-M81 PolarHBondContact O-N 2.95Å; E78-R82 WeakPolarHBondContact O-CB 3.5Å; E78-R82 VanDerWaalsContact O-CG 3.27Å; E78-R82 WeakPolarHBondContact O-CG 3.39Å; E78-R82 PolarHBondContact O-N 2.86Å; E78-R82 IonicContact OE2-NH2 3.9Å; E78-R82 PolarHBondContact OE2-NH2 3.21Å |
| 79 | H | 88 | Confident | 88.1 | Confident | 117 Ų | 117 | 108.5 Ų | 108.5 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 175.3 | -174.1 | 68 | 0 | 0 | 0 | 111.1 | Q75 N76 M77 M81 R82 M83 | Q75-H79 VanDerWaalsContact O-CB 3.29Å; Q75-H79 WeakPolarHBondContact O-CB 3.27Å; Q75-H79 PolarHBondContact O-N 3.44Å; N76-H79 PolarHBondContact O-N 2.84Å; M77-H79 VanDerWaalsContact C-N 3.3Å; M77-H79 PolarHBondContact O-N 3.47Å; H79-M81 PolarHBondContact O-N 3.18Å; H79-R82 PolarHBondContact O-N 2.85Å; H79-M83 VanDerWaalsContact O-CG 3.32Å; H79-M83 WeakPolarHBondContact O-CG 3.4Å; H79-M83 PolarHBondContact O-N 3.33Å |
| 80 | S | 87.6 | Confident | 88.1 | Confident | 61 Ų | 61 | 111.3 Ų | 111.3 | 43% | 0.427 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 176.2 | -172.9 | 0 | 0 | 0 | 0 | 112.1 | N76 M77 M83 Q84 | N76-S80 WeakPolarHBondContact O-CB 3.48Å; N76-S80 PolarHBondContact O-N 3.22Å; M77-S80 WeakPolarHBondContact O-CB 3.36Å; M77-S80 PolarHBondContact O-N 2.88Å; S80-M83 PolarHBondContact O-N 3.42Å; S80-Q84 PolarHBondContact O-N 3.4Å |
| 81 | M | 89.7 | Confident | 88.3 | Confident | 130 Ų | 130 | 107.5 Ų | 107.5 | 64% | 0.64 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -41.6 | 177.2 | -72.3 | -178 | 72.5 | 0 | 0 | 112.1 | M77 E78 H79 M83 Q84 A85 | M77-M81 WeakPolarHBondContact O-CG 3.31Å; M77-M81 PolarHBondContact O-N 2.89Å; E78-M81 PolarHBondContact O-N 2.95Å; H79-M81 PolarHBondContact O-N 3.18Å; M81-M83 VanDerWaalsContact C-N 3.29Å; M81-M83 PolarHBondContact O-N 2.9Å; M81-Q84 PolarHBondContact O-N 2.95Å; M81-A85 WeakPolarHBondContact O-CB 3.32Å; M81-A85 PolarHBondContact O-N 3.28Å |
| 82 | R | 89.1 | Confident | 88.4 | Confident | 159 Ų | 159 | 105.6 Ų | 105.6 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.9 | -36.7 | 174.7 | -71.7 | 176.3 | -160.6 | -176.5 | 11.1 | 111.7 | E78 H79 K86 | E78-R82 WeakPolarHBondContact O-CB 3.5Å; E78-R82 VanDerWaalsContact O-CG 3.27Å; E78-R82 WeakPolarHBondContact O-CG 3.39Å; E78-R82 PolarHBondContact O-N 2.86Å; E78-R82 IonicContact OE2-NH2 3.9Å; E78-R82 PolarHBondContact OE2-NH2 3.21Å; H79-R82 PolarHBondContact O-N 2.85Å; R82-K86 WeakPolarHBondContact O-CB 3.29Å; R82-K86 VanDerWaalsContact O-CG 3.29Å; R82-K86 WeakPolarHBondContact O-CG 3.45Å; R82-K86 PolarHBondContact O-N 3.05Å |
| 83 | M | 88.9 | Confident | 88.5 | Confident | 96 Ų | 96 | 107.9 Ų | 107.9 | 47% | 0.473 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.7 | -41.9 | 176.4 | -71.3 | -57.3 | -64.8 | 0 | 0 | 111.8 | H79 S80 M81 K86 E87 | H79-M83 VanDerWaalsContact O-CG 3.32Å; H79-M83 WeakPolarHBondContact O-CG 3.4Å; H79-M83 PolarHBondContact O-N 3.33Å; S80-M83 PolarHBondContact O-N 3.42Å; M81-M83 VanDerWaalsContact C-N 3.29Å; M81-M83 PolarHBondContact O-N 2.9Å; M83-K86 PolarHBondContact O-N 3.38Å; M83-K86 HydrophobicContact SD-CD 4.42Å; M83-E87 PolarHBondContact O-N 3.31Å |
| 84 | Q | 88.8 | Confident | 88.8 | Confident | 118 Ų | 118 | 109.4 Ų | 109.4 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.5 | -47 | 173.1 | -77.5 | 179.3 | -31.7 | 0 | 0 | 112.1 | S80 M81 K86 E87 E88 | S80-Q84 PolarHBondContact O-N 3.4Å; M81-Q84 PolarHBondContact O-N 2.95Å; Q84-K86 VanDerWaalsContact C-N 3.28Å; Q84-K86 PolarHBondContact O-N 3.45Å; Q84-E87 PolarHBondContact O-N 2.93Å; Q84-E88 PolarHBondContact O-N 3.06Å |
| 85 | A | 87.4 | Confident | 88.9 | Confident | 44 Ų | 44 | 108.9 Ų | 108.9 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.2 | -36.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M81 Q89 | M81-A85 WeakPolarHBondContact O-CB 3.32Å; M81-A85 PolarHBondContact O-N 3.28Å; A85-Q89 WeakPolarHBondContact O-CB 3.44Å; A85-Q89 VanDerWaalsContact O-CG 3.26Å; A85-Q89 WeakPolarHBondContact O-CG 3.26Å; A85-Q89 PolarHBondContact O-N 3.49Å |
| 86 | K | 88.7 | Confident | 89 | Confident | 122 Ų | 122 | 108.8 Ų | 108.8 | 53% | 0.53 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67 | -36.9 | 173.3 | -79.1 | 178.2 | 179.3 | -177.2 | 0 | 112.4 | R82 M83 Q84 R90 | R82-K86 WeakPolarHBondContact O-CB 3.29Å; R82-K86 VanDerWaalsContact O-CG 3.29Å; R82-K86 WeakPolarHBondContact O-CG 3.45Å; R82-K86 PolarHBondContact O-N 3.05Å; M83-K86 PolarHBondContact O-N 3.38Å; M83-K86 HydrophobicContact SD-CD 4.42Å; Q84-K86 VanDerWaalsContact C-N 3.28Å; Q84-K86 PolarHBondContact O-N 3.45Å; K86-R90 VanDerWaalsContact O-CG 3.31Å; K86-R90 WeakPolarHBondContact O-CG 3.26Å; K86-R90 PolarHBondContact O-N 3.38Å |
| 87 | E | 87.3 | Confident | 89.2 | Confident | 123 Ų | 123 | 109 Ų | 109 | 58% | 0.575 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.8 | -42 | 178.4 | -168.4 | 58.8 | -154.5 | 0 | 0 | 111.7 | M83 Q84 Q89 R90 S91 | M83-E87 PolarHBondContact O-N 3.31Å; Q84-E87 PolarHBondContact O-N 2.93Å; E87-Q89 PolarHBondContact O-N 3.1Å; E87-R90 WeakPolarHBondContact O-CB 3.41Å; E87-R90 PolarHBondContact O-N 2.83Å; E87-R90 VanDerWaalsContact O-N 3.16Å; E87-S91 PolarHBondContact O-N 3.16Å |
| 88 | E | 87.3 | Confident | 89.3 | Confident | 131 Ų | 131 | 107.3 Ų | 107.3 | 61% | 0.612 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.3 | -46.3 | 171.8 | -74 | 177.2 | 176.6 | 0 | 0 | 111.1 | Q84 R90 S91 D92 | Q84-E88 PolarHBondContact O-N 3.06Å; E88-R90 VanDerWaalsContact C-N 3.3Å; E88-R90 PolarHBondContact O-N 3.19Å; E88-S91 PolarHBondContact O-N 3.01Å; E88-D92 PolarHBondContact O-N 3.02Å |
| 89 | Q | 88.3 | Confident | 89.4 | Confident | 127 Ų | 127 | 111.1 Ų | 111.1 | 59% | 0.593 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.6 | -39.1 | 174.3 | -77.6 | 179.3 | -1.8 | 0 | 0 | 112.6 | A85 E87 I93 | A85-Q89 WeakPolarHBondContact O-CB 3.44Å; A85-Q89 VanDerWaalsContact O-CG 3.26Å; A85-Q89 WeakPolarHBondContact O-CG 3.26Å; A85-Q89 PolarHBondContact O-N 3.49Å; E87-Q89 PolarHBondContact O-N 3.1Å; Q89-I93 WeakPolarHBondContact O-CB 3.46Å; Q89-I93 WeakPolarHBondContact O-CD1 3.48Å; Q89-I93 WeakPolarHBondContact O-CG1 3.31Å; Q89-I93 PolarHBondContact O-N 2.86Å |
| 90 | R | 87.9 | Confident | 89.7 | Confident | 171 Ų | 171 | 111.5 Ų | 111.5 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.8 | -45.2 | 175.2 | -79.3 | 172.3 | 176 | -97.9 | -1.2 | 111.5 | K86 E87 E88 D92 I93 E94 | K86-R90 VanDerWaalsContact O-CG 3.31Å; K86-R90 WeakPolarHBondContact O-CG 3.26Å; K86-R90 PolarHBondContact O-N 3.38Å; E87-R90 WeakPolarHBondContact O-CB 3.41Å; E87-R90 PolarHBondContact O-N 2.83Å; E87-R90 VanDerWaalsContact O-N 3.16Å; E88-R90 VanDerWaalsContact C-N 3.3Å; E88-R90 PolarHBondContact O-N 3.19Å; R90-D92 VanDerWaalsContact C-N 3.35Å; R90-D92 PolarHBondContact O-N 3.47Å; R90-I93 PolarHBondContact O-N 2.87Å; R90-E94 WeakPolarHBondContact O-CB 3.5Å; R90-E94 PolarHBondContact O-N 3.45Å |
| 91 | S | 89.2 | Confident | 89.8 | Confident | 51 Ų | 51 | 115.8 Ų | 115.8 | 36% | 0.357 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 177.6 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | E87 E88 E94 N95 | E87-S91 PolarHBondContact O-N 3.16Å; E88-S91 PolarHBondContact O-N 3.01Å; S91-E94 PolarHBondContact O-N 3.36Å; S91-N95 VanDerWaalsContact O-CB 3.26Å; S91-N95 WeakPolarHBondContact O-CB 3.32Å; S91-N95 PolarHBondContact O-N 3.49Å; S91-N95 PolarHBondContact O-ND2 2.88Å; S91-N95 VanDerWaalsContact O-ND2 3.1Å |
| 92 | D | 89.9 | Confident | 90 | Very high | 110 Ų | 110 | 114.7 Ų | 114.7 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.6 | -42.4 | 175.3 | -79.8 | -15.4 | 0 | 0 | 0 | 112.3 | E88 R90 H96 | E88-D92 PolarHBondContact O-N 3.02Å; R90-D92 VanDerWaalsContact C-N 3.35Å; R90-D92 PolarHBondContact O-N 3.47Å; D92-H96 VanDerWaalsContact O-CB 3.28Å; D92-H96 WeakPolarHBondContact O-CB 3.21Å; D92-H96 PolarHBondContact O-N 2.95Å |
| 93 | I | 91.8 | Very high | 90.2 | Very high | 101 Ų | 101 | 113 Ų | 113 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 174.6 | -69.8 | 164.8 | 0 | 0 | 0 | 110.1 | Q89 R90 N95 H96 E97 | Q89-I93 WeakPolarHBondContact O-CB 3.46Å; Q89-I93 WeakPolarHBondContact O-CD1 3.48Å; Q89-I93 WeakPolarHBondContact O-CG1 3.31Å; Q89-I93 PolarHBondContact O-N 2.86Å; R90-I93 PolarHBondContact O-N 2.87Å; I93-N95 PolarHBondContact O-N 3.31Å; I93-H96 PolarHBondContact O-N 2.85Å; I93-E97 HydrophobicContact CG2-CG 4.41Å; I93-E97 WeakPolarHBondContact O-CB 3.4Å; I93-E97 WeakPolarHBondContact O-CG 3.41Å; I93-E97 PolarHBondContact O-N 3.26Å |
| 94 | E | 91.6 | Very high | 90.4 | Very high | 120 Ų | 120 | 112.1 Ų | 112.1 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | 179.1 | -174.3 | 173 | -167 | 0 | 0 | 111.4 | R90 S91 H96 E97 L98 | R90-E94 WeakPolarHBondContact O-CB 3.5Å; R90-E94 PolarHBondContact O-N 3.45Å; S91-E94 PolarHBondContact O-N 3.36Å; E94-H96 PolarHBondContact O-N 2.87Å; E94-E97 PolarHBondContact O-N 2.82Å; E94-L98 HydrophobicContact CG-CD1 4.34Å; E94-L98 WeakPolarHBondContact O-CB 3.32Å; E94-L98 VanDerWaalsContact O-CG 3.32Å; E94-L98 WeakPolarHBondContact O-CG 3.46Å; E94-L98 PolarHBondContact O-N 3.21Å |
| 95 | N | 90.2 | Very high | 90.6 | Very high | 70 Ų | 70 | 112.4 Ų | 112.4 | 37% | 0.374 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 175.2 | -77.5 | -36.2 | 0 | 0 | 0 | 112.3 | S91 I93 L98 R99 | S91-N95 VanDerWaalsContact O-CB 3.26Å; S91-N95 WeakPolarHBondContact O-CB 3.32Å; S91-N95 PolarHBondContact O-N 3.49Å; S91-N95 PolarHBondContact O-ND2 2.88Å; S91-N95 VanDerWaalsContact O-ND2 3.1Å; I93-N95 PolarHBondContact O-N 3.31Å; N95-L98 PolarHBondContact O-N 3.43Å; N95-R99 WeakPolarHBondContact O-CB 3.43Å; N95-R99 VanDerWaalsContact O-CG 3.32Å; N95-R99 WeakPolarHBondContact O-CG 3.28Å; N95-R99 PolarHBondContact O-N 3.02Å |
| 96 | H | 91.6 | Very high | 90.8 | Very high | 131 Ų | 131 | 116.9 Ų | 116.9 | 61% | 0.606 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.1 | -40.2 | 176 | -173.2 | -67.3 | 0 | 0 | 0 | 111.4 | D92 I93 E94 K100 | D92-H96 VanDerWaalsContact O-CB 3.28Å; D92-H96 WeakPolarHBondContact O-CB 3.21Å; D92-H96 PolarHBondContact O-N 2.95Å; I93-H96 PolarHBondContact O-N 2.85Å; E94-H96 PolarHBondContact O-N 2.87Å; H96-K100 WeakPolarHBondContact O-CB 3.41Å; H96-K100 PolarHBondContact O-N 2.98Å |
| 97 | E | 90.5 | Very high | 91 | Very high | 101 Ų | 101 | 116.7 Ų | 116.7 | 47% | 0.472 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 174.5 | -75.3 | -171.3 | 178.5 | 0 | 0 | 112 | I93 E94 K100 R101 | I93-E97 HydrophobicContact CG2-CG 4.41Å; I93-E97 WeakPolarHBondContact O-CB 3.4Å; I93-E97 WeakPolarHBondContact O-CG 3.41Å; I93-E97 PolarHBondContact O-N 3.26Å; E94-E97 PolarHBondContact O-N 2.82Å; E97-K100 PolarHBondContact O-N 2.95Å; E97-R101 WeakPolarHBondContact O-CG 3.41Å; E97-R101 PolarHBondContact O-N 3.3Å |
| 98 | L | 92.1 | Very high | 91.2 | Very high | 79 Ų | 79 | 116.2 Ų | 116.2 | 41% | 0.414 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61 | -50.2 | 174.3 | -73.7 | 171.7 | 0 | 0 | 0 | 111.4 | E94 N95 K100 R101 E102 | E94-L98 HydrophobicContact CG-CD1 4.34Å; E94-L98 WeakPolarHBondContact O-CB 3.32Å; E94-L98 VanDerWaalsContact O-CG 3.32Å; E94-L98 WeakPolarHBondContact O-CG 3.46Å; E94-L98 PolarHBondContact O-N 3.21Å; N95-L98 PolarHBondContact O-N 3.43Å; L98-K100 VanDerWaalsContact C-N 3.27Å; L98-K100 PolarHBondContact O-N 3.07Å; L98-R101 WeakPolarHBondContact O-CB 3.47Å; L98-R101 PolarHBondContact O-N 3.49Å; L98-R101 VanDerWaalsContact O-N 3.07Å; L98-E102 PolarHBondContact O-N 3.04Å |
| 99 | R | 91.6 | Very high | 91.5 | Very high | 172 Ų | 172 | 115.8 Ų | 115.8 | 65% | 0.649 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.4 | -39.1 | 175.8 | -74.4 | 177.2 | -174.7 | 173.2 | 5 | 112.3 | N95 E102 I103 | N95-R99 WeakPolarHBondContact O-CB 3.43Å; N95-R99 VanDerWaalsContact O-CG 3.32Å; N95-R99 WeakPolarHBondContact O-CG 3.28Å; N95-R99 PolarHBondContact O-N 3.02Å; R99-E102 PolarHBondContact O-N 3.47Å; R99-I103 VanDerWaalsContact O-CG1 3.31Å; R99-I103 WeakPolarHBondContact O-CG1 3.34Å; R99-I103 PolarHBondContact O-N 3.23Å |
| 100 | K | 93.3 | Very high | 91.6 | Very high | 125 Ų | 125 | 113.4 Ų | 113.4 | 54% | 0.543 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 176.2 | -173.1 | 179.4 | 177.3 | -176.6 | 0 | 111.3 | H96 E97 L98 I103 I104 | H96-K100 WeakPolarHBondContact O-CB 3.41Å; H96-K100 PolarHBondContact O-N 2.98Å; E97-K100 PolarHBondContact O-N 2.95Å; L98-K100 VanDerWaalsContact C-N 3.27Å; L98-K100 PolarHBondContact O-N 3.07Å; K100-I103 PolarHBondContact O-N 3.35Å; K100-I104 HydrophobicContact CG-CD1 4.12Å; K100-I104 WeakPolarHBondContact O-CD1 3.46Å; K100-I104 VanDerWaalsContact O-CG1 3.24Å; K100-I104 WeakPolarHBondContact O-CG1 3.46Å; K100-I104 PolarHBondContact O-N 2.88Å; K100-I104 VanDerWaalsContact O-N 3.09Å |
| 101 | R | 91.4 | Very high | 91.8 | Very high | 150 Ų | 150 | 108.8 Ų | 108.8 | 57% | 0.566 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63 | -45.8 | 174.7 | -70.2 | 179.2 | -166.8 | 179.3 | 8.1 | 111.6 | E97 L98 I103 I104 E105 | E97-R101 WeakPolarHBondContact O-CG 3.41Å; E97-R101 PolarHBondContact O-N 3.3Å; L98-R101 WeakPolarHBondContact O-CB 3.47Å; L98-R101 PolarHBondContact O-N 3.49Å; L98-R101 VanDerWaalsContact O-N 3.07Å; R101-I103 VanDerWaalsContact C-N 3.33Å; R101-I103 PolarHBondContact O-N 3.32Å; R101-I104 WeakPolarHBondContact O-CB 3.48Å; R101-I104 PolarHBondContact O-N 3.02Å; R101-I104 VanDerWaalsContact O-N 3.12Å; R101-E105 WeakPolarHBondContact O-CG 3.49Å; R101-E105 PolarHBondContact O-N 2.89Å |
| 102 | E | 93.3 | Very high | 91.9 | Very high | 108 Ų | 108 | 109.3 Ų | 109.3 | 51% | 0.505 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 177 | -70.6 | 178.9 | 171.2 | 0 | 0 | 112.8 | L98 R99 E105 K106 | L98-E102 PolarHBondContact O-N 3.04Å; R99-E102 PolarHBondContact O-N 3.47Å; E102-E105 PolarHBondContact O-N 3.12Å; E102-K106 WeakPolarHBondContact O-CG 3.35Å; E102-K106 PolarHBondContact O-N 2.95Å |
| 103 | I | 92.5 | Very high | 92 | Very high | 122 Ų | 122 | 107 Ų | 107 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.1 | -42 | 176.2 | -69 | 167.1 | 0 | 0 | 0 | 110.7 | R99 K100 R101 K106 H107 | R99-I103 VanDerWaalsContact O-CG1 3.31Å; R99-I103 WeakPolarHBondContact O-CG1 3.34Å; R99-I103 PolarHBondContact O-N 3.23Å; K100-I103 PolarHBondContact O-N 3.35Å; R101-I103 VanDerWaalsContact C-N 3.33Å; R101-I103 PolarHBondContact O-N 3.32Å; I103-K106 PolarHBondContact O-N 3.23Å; I103-H107 WeakPolarHBondContact O-CB 3.31Å; I103-H107 PolarHBondContact O-N 3.49Å |
| 104 | I | 92.8 | Very high | 91.9 | Very high | 79 Ų | 79 | 107.2 Ų | 107.2 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 177.4 | -69.7 | 166.2 | 0 | 0 | 0 | 110.4 | K100 R101 H107 Q108 | K100-I104 HydrophobicContact CG-CD1 4.12Å; K100-I104 WeakPolarHBondContact O-CD1 3.46Å; K100-I104 VanDerWaalsContact O-CG1 3.24Å; K100-I104 WeakPolarHBondContact O-CG1 3.46Å; K100-I104 PolarHBondContact O-N 2.88Å; K100-I104 VanDerWaalsContact O-N 3.09Å; R101-I104 WeakPolarHBondContact O-CB 3.48Å; R101-I104 PolarHBondContact O-N 3.02Å; R101-I104 VanDerWaalsContact O-N 3.12Å; I104-H107 PolarHBondContact O-N 2.86Å; I104-Q108 HydrophobicContact CG2-CG 4.36Å; I104-Q108 WeakPolarHBondContact O-CB 3.32Å; I104-Q108 WeakPolarHBondContact O-CG 3.47Å; I104-Q108 PolarHBondContact O-N 3.47Å |
| 105 | E | 93.2 | Very high | 91.9 | Very high | 124 Ų | 124 | 106.1 Ų | 106.1 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.8 | -47.7 | 177.7 | -74 | 174.3 | -177.7 | 0 | 0 | 111.6 | R101 E102 H107 Q108 E109 | R101-E105 WeakPolarHBondContact O-CG 3.49Å; R101-E105 PolarHBondContact O-N 2.89Å; E102-E105 PolarHBondContact O-N 3.12Å; E105-H107 VanDerWaalsContact C-N 3.29Å; E105-H107 PolarHBondContact O-N 3.37Å; E105-Q108 PolarHBondContact O-N 2.83Å; E105-E109 WeakPolarHBondContact O-CB 3.38Å; E105-E109 PolarHBondContact O-N 2.99Å |
| 106 | K | 93.1 | Very high | 91.9 | Very high | 138 Ų | 138 | 109.2 Ų | 109.2 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.8 | -38.5 | 174.8 | -75 | 179.6 | -179.5 | 175.4 | 0 | 112.7 | E102 I103 T110 | E102-K106 WeakPolarHBondContact O-CG 3.35Å; E102-K106 PolarHBondContact O-N 2.95Å; I103-K106 PolarHBondContact O-N 3.23Å; K106-T110 WeakPolarHBondContact O-CB 3.49Å; K106-T110 PolarHBondContact O-N 2.96Å; K106-T110 PolarHBondContact O-OG1 2.91Å |
| 107 | H | 91.4 | Very high | 91.9 | Very high | 117 Ų | 117 | 106.4 Ų | 106.4 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.7 | -42.7 | 177.4 | -170.1 | 64.3 | 0 | 0 | 0 | 111.7 | I103 I104 E105 E109 T110 I111 | I103-H107 WeakPolarHBondContact O-CB 3.31Å; I103-H107 PolarHBondContact O-N 3.49Å; I104-H107 PolarHBondContact O-N 2.86Å; E105-H107 VanDerWaalsContact C-N 3.29Å; E105-H107 PolarHBondContact O-N 3.37Å; H107-E109 VanDerWaalsContact C-N 3.33Å; H107-E109 PolarHBondContact O-N 2.78Å; H107-T110 PolarHBondContact O-N 2.79Å; H107-I111 WeakPolarHBondContact NE2-CD1 3.33Å; H107-I111 WeakPolarHBondContact O-CG1 3.24Å; H107-I111 PolarHBondContact O-N 3.44Å |
| 108 | Q | 93 | Very high | 91.8 | Very high | 114 Ų | 114 | 107 Ų | 107 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 174.6 | -74.3 | 176.8 | -8.6 | 0 | 0 | 112.1 | I104 E105 S112 | I104-Q108 HydrophobicContact CG2-CG 4.36Å; I104-Q108 WeakPolarHBondContact O-CB 3.32Å; I104-Q108 WeakPolarHBondContact O-CG 3.47Å; I104-Q108 PolarHBondContact O-N 3.47Å; E105-Q108 PolarHBondContact O-N 2.83Å; Q108-S112 WeakPolarHBondContact O-CB 3.37Å; Q108-S112 PolarHBondContact O-N 3.09Å; Q108-S112 PolarHBondContact O-OG 3.48Å |
| 109 | E | 92.6 | Very high | 91.7 | Very high | 121 Ų | 121 | 106.8 Ų | 106.8 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.3 | -46 | 173.7 | -174.1 | -178.8 | -173.9 | 0 | 0 | 111.4 | E105 H107 I111 S112 N113 | E105-E109 WeakPolarHBondContact O-CB 3.38Å; E105-E109 PolarHBondContact O-N 2.99Å; H107-E109 VanDerWaalsContact C-N 3.33Å; H107-E109 PolarHBondContact O-N 2.78Å; E109-I111 PolarHBondContact O-N 3.47Å; E109-S112 PolarHBondContact O-N 3.34Å; E109-N113 PolarHBondContact O-N 2.92Å; E109-N113 PolarHBondContact O-ND2 2.98Å |
| 110 | T | 90.7 | Very high | 91.7 | Very high | 78 Ų | 78 | 104.2 Ų | 104.2 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 177.3 | -57 | 0 | 0 | 0 | 0 | 111.5 | K106 H107 S112 N113 L114 | K106-T110 WeakPolarHBondContact O-CB 3.49Å; K106-T110 PolarHBondContact O-N 2.96Å; K106-T110 PolarHBondContact O-OG1 2.91Å; H107-T110 PolarHBondContact O-N 2.79Å; T110-S112 VanDerWaalsContact C-N 3.33Å; T110-S112 PolarHBondContact O-N 2.89Å; T110-N113 PolarHBondContact O-N 2.94Å; T110-L114 HydrophobicContact CG2-CD1 4.23Å; T110-L114 WeakPolarHBondContact O-CG 3.41Å; T110-L114 PolarHBondContact O-N 3.48Å |
| 111 | I | 92.4 | Very high | 91.4 | Very high | 73 Ų | 73 | 100.6 Ų | 100.6 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 175.4 | -71.2 | 169.6 | 0 | 0 | 0 | 110.7 | H107 E109 N113 L114 N115 | H107-I111 WeakPolarHBondContact NE2-CD1 3.33Å; H107-I111 WeakPolarHBondContact O-CG1 3.24Å; H107-I111 PolarHBondContact O-N 3.44Å; E109-I111 PolarHBondContact O-N 3.47Å; I111-N113 PolarHBondContact O-N 3.28Å; I111-L114 PolarHBondContact O-N 3.47Å; I111-N115 WeakPolarHBondContact O-CB 3.48Å; I111-N115 VanDerWaalsContact O-CG 3.28Å; I111-N115 PolarHBondContact O-N 3.21Å; I111-N115 PolarHBondContact O-ND2 3.29Å |
| 112 | S | 90.6 | Very high | 91.3 | Very high | 63 Ų | 63 | 97.2 Ų | 97.2 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 179.8 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | Q108 E109 T110 N115 R116 | Q108-S112 WeakPolarHBondContact O-CB 3.37Å; Q108-S112 PolarHBondContact O-N 3.09Å; Q108-S112 PolarHBondContact O-OG 3.48Å; E109-S112 PolarHBondContact O-N 3.34Å; T110-S112 VanDerWaalsContact C-N 3.33Å; T110-S112 PolarHBondContact O-N 2.89Å; S112-N115 PolarHBondContact O-N 3.46Å; S112-R116 PolarHBondContact O-N 3.2Å |
| 113 | N | 91.3 | Very high | 91.2 | Very high | 61 Ų | 61 | 99.2 Ų | 99.2 | 33% | 0.326 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.8 | -42.2 | 176 | -72.6 | -25.3 | 0 | 0 | 0 | 111.9 | E109 T110 I111 R116 S117 | E109-N113 PolarHBondContact O-N 2.92Å; E109-N113 PolarHBondContact O-ND2 2.98Å; T110-N113 PolarHBondContact O-N 2.94Å; I111-N113 PolarHBondContact O-N 3.28Å; N113-R116 WeakPolarHBondContact O-CB 3.4Å; N113-R116 PolarHBondContact O-N 2.93Å; N113-R116 PolarHBondContact OD1-NH1 3.22Å; N113-S117 PolarHBondContact O-N 2.88Å; N113-S117 PolarHBondContact O-OG 3.35Å |
| 114 | L | 91.7 | Very high | 91 | Very high | 105 Ų | 105 | 96 Ų | 96 | 55% | 0.55 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 173.5 | -74.5 | 170.8 | 0 | 0 | 0 | 111.7 | T110 I111 R116 S117 M118 | T110-L114 HydrophobicContact CG2-CD1 4.23Å; T110-L114 WeakPolarHBondContact O-CG 3.41Å; T110-L114 PolarHBondContact O-N 3.48Å; I111-L114 PolarHBondContact O-N 3.47Å; L114-R116 VanDerWaalsContact C-N 3.29Å; L114-R116 PolarHBondContact O-N 2.86Å; L114-S117 PolarHBondContact O-N 2.85Å; L114-M118 WeakPolarHBondContact O-CB 3.43Å; L114-M118 WeakPolarHBondContact O-CG 3.39Å; L114-M118 PolarHBondContact O-N 3.42Å |
| 115 | N | 91.2 | Very high | 90.8 | Very high | 97 Ų | 97 | 97.8 Ų | 97.8 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 175.8 | -75.6 | -20.7 | 0 | 0 | 0 | 111.9 | I111 S112 S119 | I111-N115 WeakPolarHBondContact O-CB 3.48Å; I111-N115 VanDerWaalsContact O-CG 3.28Å; I111-N115 PolarHBondContact O-N 3.21Å; I111-N115 PolarHBondContact O-ND2 3.29Å; S112-N115 PolarHBondContact O-N 3.46Å; N115-S119 VanDerWaalsContact O-CB 3.26Å; N115-S119 WeakPolarHBondContact O-CB 3.48Å; N115-S119 PolarHBondContact O-N 3.4Å |
| 116 | R | 89.9 | Confident | 90.6 | Very high | 136 Ų | 136 | 100.1 Ų | 100.1 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -51.1 | 174.8 | -168.8 | -174.6 | -58.9 | 118.6 | 5.2 | 111.2 | S112 N113 L114 M118 S119 E120 | S112-R116 PolarHBondContact O-N 3.2Å; N113-R116 WeakPolarHBondContact O-CB 3.4Å; N113-R116 PolarHBondContact O-N 2.93Å; N113-R116 PolarHBondContact OD1-NH1 3.22Å; L114-R116 VanDerWaalsContact C-N 3.29Å; L114-R116 PolarHBondContact O-N 2.86Å; R116-M118 VanDerWaalsContact C-N 3.33Å; R116-M118 PolarHBondContact O-N 3.14Å; R116-S119 WeakPolarHBondContact O-CB 3.26Å; R116-S119 PolarHBondContact O-N 3.4Å; R116-S119 VanDerWaalsContact O-N 3.14Å; R116-E120 WeakPolarHBondContact CG-OE1 3.39Å; R116-E120 WeakPolarHBondContact O-CG 3.37Å; R116-E120 PolarHBondContact O-N 3.39Å |
| 117 | S | 91.1 | Very high | 90.4 | Very high | 72 Ų | 72 | 99 Ų | 99 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 178.6 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | N113 L114 E120 A121 | N113-S117 PolarHBondContact O-N 2.88Å; N113-S117 PolarHBondContact O-OG 3.35Å; L114-S117 PolarHBondContact O-N 2.85Å; S117-E120 PolarHBondContact O-N 3.32Å; S117-A121 VanDerWaalsContact O-CB 3.29Å; S117-A121 WeakPolarHBondContact O-CB 3.41Å; S117-A121 PolarHBondContact O-N 2.89Å |
| 118 | M | 88.7 | Confident | 90.1 | Very high | 113 Ų | 113 | 97.4 Ų | 97.4 | 56% | 0.557 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.8 | -44.4 | 173.7 | -75.2 | -176.4 | 63.5 | 0 | 0 | 111.6 | L114 R116 E120 A121 E122 | L114-M118 WeakPolarHBondContact O-CB 3.43Å; L114-M118 WeakPolarHBondContact O-CG 3.39Å; L114-M118 PolarHBondContact O-N 3.42Å; R116-M118 VanDerWaalsContact C-N 3.33Å; R116-M118 PolarHBondContact O-N 3.14Å; M118-E120 PolarHBondContact O-N 3.44Å; M118-A121 PolarHBondContact O-N 3.48Å; M118-E122 WeakPolarHBondContact O-CB 3.35Å; M118-E122 WeakPolarHBondContact O-CG 3.41Å; M118-E122 PolarHBondContact O-N 3.48Å |
| 119 | S | 90.2 | Very high | 89.9 | Confident | 74 Ų | 74 | 99.1 Ų | 99.1 | 52% | 0.517 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 177.4 | -172.3 | 0 | 0 | 0 | 0 | 112.3 | N115 R116 E122 K123 | N115-S119 VanDerWaalsContact O-CB 3.26Å; N115-S119 WeakPolarHBondContact O-CB 3.48Å; N115-S119 PolarHBondContact O-N 3.4Å; R116-S119 WeakPolarHBondContact O-CB 3.26Å; R116-S119 PolarHBondContact O-N 3.4Å; R116-S119 VanDerWaalsContact O-N 3.14Å; S119-E122 PolarHBondContact O-N 2.91Å; S119-K123 WeakPolarHBondContact O-CB 3.36Å; S119-K123 PolarHBondContact O-N 2.89Å |
| 120 | E | 91.1 | Very high | 89.8 | Confident | 118 Ų | 118 | 100 Ų | 100 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.9 | -43.8 | 175.2 | -73.4 | 172.7 | -173.3 | 0 | 0 | 111.8 | R116 S117 M118 K123 S124 | R116-E120 WeakPolarHBondContact CG-OE1 3.39Å; R116-E120 WeakPolarHBondContact O-CG 3.37Å; R116-E120 PolarHBondContact O-N 3.39Å; S117-E120 PolarHBondContact O-N 3.32Å; M118-E120 PolarHBondContact O-N 3.44Å; E120-K123 PolarHBondContact O-N 2.83Å; E120-S124 WeakPolarHBondContact O-CB 3.49Å; E120-S124 PolarHBondContact O-N 3.34Å |
| 121 | A | 87.3 | Confident | 89.7 | Confident | 50 Ų | 50 | 100.1 Ų | 100.1 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S117 M118 S124 M125 | S117-A121 VanDerWaalsContact O-CB 3.29Å; S117-A121 WeakPolarHBondContact O-CB 3.41Å; S117-A121 PolarHBondContact O-N 2.89Å; M118-A121 PolarHBondContact O-N 3.48Å; A121-S124 PolarHBondContact O-N 2.9Å; A121-M125 WeakPolarHBondContact O-CB 3.44Å; A121-M125 WeakPolarHBondContact O-CG 3.29Å; A121-M125 PolarHBondContact O-N 3.08Å |
| 122 | E | 88.7 | Confident | 89.4 | Confident | 78 Ų | 78 | 101.5 Ų | 101.5 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 174.4 | -79.3 | -172.5 | -163.3 | 0 | 0 | 112.4 | M118 S119 M125 R126 | M118-E122 WeakPolarHBondContact O-CB 3.35Å; M118-E122 WeakPolarHBondContact O-CG 3.41Å; M118-E122 PolarHBondContact O-N 3.48Å; S119-E122 PolarHBondContact O-N 2.91Å; E122-M125 HydrophobicContact CG-CE 4.22Å; E122-M125 PolarHBondContact O-N 3.36Å; E122-R126 VanDerWaalsContact O-CG 3.32Å; E122-R126 WeakPolarHBondContact O-CG 3.47Å; E122-R126 PolarHBondContact O-N 2.96Å; E122-R126 IonicContact OE2-NH2 2.88Å; E122-R126 PolarHBondContact OE2-NH2 3.43Å; E122-R126 VanDerWaalsContact OE2-NH2 3.08Å |
| 123 | K | 91.9 | Very high | 89.3 | Confident | 151 Ų | 151 | 103.2 Ų | 103.2 | 66% | 0.657 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.8 | -46.8 | 176.6 | -174.6 | -178.2 | 175.8 | -172.8 | 0 | 110.8 | S119 E120 M125 R126 E127 | S119-K123 WeakPolarHBondContact O-CB 3.36Å; S119-K123 PolarHBondContact O-N 2.89Å; E120-K123 PolarHBondContact O-N 2.83Å; K123-M125 PolarHBondContact O-N 3.36Å; K123-R126 PolarHBondContact O-N 3.48Å; K123-E127 WeakPolarHBondContact O-CB 3.47Å; K123-E127 PolarHBondContact O-N 3.29Å |
| 124 | S | 88 | Confident | 89.3 | Confident | 55 Ų | 55 | 103.1 Ų | 103.1 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 176.5 | -177.2 | 0 | 0 | 0 | 0 | 112 | E120 A121 R126 E127 Q128 | E120-S124 WeakPolarHBondContact O-CB 3.49Å; E120-S124 PolarHBondContact O-N 3.34Å; A121-S124 PolarHBondContact O-N 2.9Å; S124-R126 PolarHBondContact O-N 2.7Å; S124-E127 PolarHBondContact O-N 2.88Å; S124-Q128 WeakPolarHBondContact O-CB 3.32Å; S124-Q128 WeakPolarHBondContact O-CG 3.33Å; S124-Q128 PolarHBondContact O-N 3.49Å |
| 125 | M | 87.8 | Confident | 89.2 | Confident | 116 Ų | 116 | 102.5 Ų | 102.5 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.4 | -41.7 | 175.4 | -75.5 | -168.1 | -62 | 0 | 0 | 112.6 | A121 E122 K123 Q128 K129 | A121-M125 WeakPolarHBondContact O-CB 3.44Å; A121-M125 WeakPolarHBondContact O-CG 3.29Å; A121-M125 PolarHBondContact O-N 3.08Å; E122-M125 HydrophobicContact CG-CE 4.22Å; E122-M125 PolarHBondContact O-N 3.36Å; K123-M125 PolarHBondContact O-N 3.36Å; M125-Q128 PolarHBondContact O-N 3.32Å; M125-K129 WeakPolarHBondContact O-CB 3.46Å; M125-K129 PolarHBondContact O-N 2.93Å |
| 126 | R | 89.5 | Confident | 89.1 | Confident | 172 Ų | 172 | 99.9 Ų | 99.9 | 65% | 0.649 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64 | -42.6 | 176.6 | -72.2 | 177 | -161.5 | 177.8 | 10.6 | 111.2 | E122 K123 S124 K129 F130 | E122-R126 VanDerWaalsContact O-CG 3.32Å; E122-R126 WeakPolarHBondContact O-CG 3.47Å; E122-R126 PolarHBondContact O-N 2.96Å; E122-R126 IonicContact OE2-NH2 2.88Å; E122-R126 PolarHBondContact OE2-NH2 3.43Å; E122-R126 VanDerWaalsContact OE2-NH2 3.08Å; K123-R126 PolarHBondContact O-N 3.48Å; S124-R126 PolarHBondContact O-N 2.7Å; R126-K129 PolarHBondContact O-N 3.46Å; R126-F130 WeakPolarHBondContact O-CB 3.34Å; R126-F130 PolarHBondContact O-N 3.5Å |
| 127 | E | 89.3 | Confident | 89.2 | Confident | 114 Ų | 114 | 98.3 Ų | 98.3 | 53% | 0.533 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 176.3 | -175.3 | 170.9 | -176.3 | 0 | 0 | 111.8 | K123 S124 K129 F130 I131 | K123-E127 WeakPolarHBondContact O-CB 3.47Å; K123-E127 PolarHBondContact O-N 3.29Å; S124-E127 PolarHBondContact O-N 2.88Å; E127-K129 VanDerWaalsContact C-N 3.32Å; E127-K129 PolarHBondContact O-N 3.25Å; E127-F130 WeakPolarHBondContact O-CB 3.44Å; E127-F130 PolarHBondContact O-N 3.36Å; E127-I131 HydrophobicContact CG-CD1 4.06Å; E127-I131 WeakPolarHBondContact O-CG1 3.46Å; E127-I131 PolarHBondContact O-N 2.72Å |
| 128 | Q | 85.9 | Confident | 89.2 | Confident | 84 Ų | 84 | 99.3 Ų | 99.3 | 39% | 0.393 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 174.6 | -73.7 | -175.9 | 2.8 | 0 | 0 | 112.4 | S124 M125 F130 I131 H132 | S124-Q128 WeakPolarHBondContact O-CB 3.32Å; S124-Q128 WeakPolarHBondContact O-CG 3.33Å; S124-Q128 PolarHBondContact O-N 3.49Å; M125-Q128 PolarHBondContact O-N 3.32Å; Q128-F130 VanDerWaalsContact C-N 3.34Å; Q128-I131 PolarHBondContact O-N 3.04Å; Q128-H132 WeakPolarHBondContact O-CB 3.39Å; Q128-H132 PolarHBondContact O-N 3.32Å |
| 129 | K | 88.1 | Confident | 89.2 | Confident | 151 Ų | 151 | 95 Ų | 95 | 66% | 0.657 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.3 | -42.4 | 176.6 | -174.4 | 179.2 | 178.6 | -178 | 0 | 111.1 | M125 R126 E127 H132 Q133 | M125-K129 WeakPolarHBondContact O-CB 3.46Å; M125-K129 PolarHBondContact O-N 2.93Å; R126-K129 PolarHBondContact O-N 3.46Å; E127-K129 VanDerWaalsContact C-N 3.32Å; E127-K129 PolarHBondContact O-N 3.25Å; K129-H132 PolarHBondContact O-N 3.41Å; K129-Q133 WeakPolarHBondContact O-CB 3.47Å; K129-Q133 PolarHBondContact O-N 2.93Å |
| 130 | F | 90.1 | Very high | 89.2 | Confident | 139 Ų | 139 | 95.1 Ų | 95.1 | 61% | 0.61 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.4 | -50 | 176.1 | -179.5 | -98.5 | 0 | 0 | 0 | 111.5 | R126 E127 Q128 H132 Q133 T134 | R126-F130 WeakPolarHBondContact O-CB 3.34Å; R126-F130 PolarHBondContact O-N 3.5Å; E127-F130 WeakPolarHBondContact O-CB 3.44Å; E127-F130 PolarHBondContact O-N 3.36Å; Q128-F130 VanDerWaalsContact C-N 3.34Å; F130-H132 VanDerWaalsContact C-N 3.31Å; F130-H132 PolarHBondContact O-N 3.05Å; F130-Q133 WeakPolarHBondContact O-CB 3.49Å; F130-Q133 PolarHBondContact O-N 2.86Å; F130-Q133 VanDerWaalsContact O-N 3.13Å; F130-T134 PolarHBondContact O-N 3.37Å; F130-T134 PolarHBondContact O-OG1 3.01Å; F130-T134 VanDerWaalsContact O-OG1 3.12Å |
| 131 | I | 88.6 | Confident | 89.3 | Confident | 81 Ų | 81 | 94.7 Ų | 94.7 | 42% | 0.415 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.4 | -45.3 | 176.9 | -67.6 | 165.9 | 0 | 0 | 0 | 111 | E127 Q128 T134 K135 | E127-I131 HydrophobicContact CG-CD1 4.06Å; E127-I131 WeakPolarHBondContact O-CG1 3.46Å; E127-I131 PolarHBondContact O-N 2.72Å; Q128-I131 PolarHBondContact O-N 3.04Å; I131-T134 PolarHBondContact O-N 3.24Å; I131-K135 WeakPolarHBondContact O-CG 3.48Å; I131-K135 PolarHBondContact O-N 3.42Å |
| 132 | H | 85.8 | Confident | 89.5 | Confident | 101 Ų | 101 | 96.5 Ų | 96.5 | 47% | 0.468 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 177.3 | 178.3 | 71.9 | 0 | 0 | 0 | 111.7 | Q128 K129 F130 K135 C136 | Q128-H132 WeakPolarHBondContact O-CB 3.39Å; Q128-H132 PolarHBondContact O-N 3.32Å; K129-H132 PolarHBondContact O-N 3.41Å; F130-H132 VanDerWaalsContact C-N 3.31Å; F130-H132 PolarHBondContact O-N 3.05Å; H132-K135 PolarHBondContact O-N 3.08Å; H132-C136 PolarHBondContact O-N 3.45Å; H132-C136 PolarHBondContact O-SG 3.01Å; H132-C136 VanDerWaalsContact O-SG 3.33Å |
| 133 | Q | 90 | Very high | 89.5 | Confident | 99 Ų | 99 | 94.1 Ų | 94.1 | 46% | 0.463 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 177.3 | -177.7 | 177.3 | -15.7 | 0 | 0 | 111.7 | K129 F130 K135 C136 E137 | K129-Q133 WeakPolarHBondContact O-CB 3.47Å; K129-Q133 PolarHBondContact O-N 2.93Å; F130-Q133 WeakPolarHBondContact O-CB 3.49Å; F130-Q133 PolarHBondContact O-N 2.86Å; F130-Q133 VanDerWaalsContact O-N 3.13Å; Q133-K135 VanDerWaalsContact C-N 3.31Å; Q133-K135 PolarHBondContact O-N 3.35Å; Q133-C136 WeakPolarHBondContact O-CB 3.33Å; Q133-C136 PolarHBondContact O-N 3.49Å; Q133-C136 VanDerWaalsContact O-N 3.13Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.39Å; Q133-E137 PolarHBondContact NE2-OE1 2.9Å; Q133-E137 WeakPolarHBondContact O-CG 3.34Å; Q133-E137 PolarHBondContact O-N 3.11Å |
| 134 | T | 91.2 | Very high | 89.5 | Confident | 59 Ų | 59 | 92.4 Ų | 92.4 | 36% | 0.362 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.1 | -41.2 | 177.1 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | F130 I131 E137 E138 | F130-T134 PolarHBondContact O-N 3.37Å; F130-T134 PolarHBondContact O-OG1 3.01Å; F130-T134 VanDerWaalsContact O-OG1 3.12Å; I131-T134 PolarHBondContact O-N 3.24Å; T134-E137 PolarHBondContact O-N 2.94Å; T134-E138 PolarHBondContact O-N 3.49Å |
| 135 | K | 88.6 | Confident | 89.6 | Confident | 92 Ų | 92 | 95.7 Ų | 95.7 | 40% | 0.4 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 174.8 | -75.7 | -173.6 | 174.5 | -163.1 | 0 | 112.2 | I131 H132 Q133 E137 E138 I139 D314 | I131-K135 WeakPolarHBondContact O-CG 3.48Å; I131-K135 PolarHBondContact O-N 3.42Å; H132-K135 PolarHBondContact O-N 3.08Å; Q133-K135 VanDerWaalsContact C-N 3.31Å; Q133-K135 PolarHBondContact O-N 3.35Å; K135-E137 VanDerWaalsContact C-N 3.34Å; K135-E137 PolarHBondContact O-N 3.42Å; K135-E138 PolarHBondContact O-N 3.13Å; K135-I139 WeakPolarHBondContact O-CD1 3.47Å; K135-I139 WeakPolarHBondContact O-CG1 3.46Å; K135-I139 PolarHBondContact O-N 2.92Å; K135-D314 IonicContact NZ-OD2 3.99Å |
| 136 | C | 88.6 | Confident | 89.7 | Confident | 43 Ų | 43 | 92.5 Ų | 92.5 | 29% | 0.291 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 176.4 | -70.9 | 0 | 0 | 0 | 0 | 111.7 | H132 Q133 I139 D140 | H132-C136 PolarHBondContact O-N 3.45Å; H132-C136 PolarHBondContact O-SG 3.01Å; H132-C136 VanDerWaalsContact O-SG 3.33Å; Q133-C136 WeakPolarHBondContact O-CB 3.33Å; Q133-C136 PolarHBondContact O-N 3.49Å; Q133-C136 VanDerWaalsContact O-N 3.13Å; C136-I139 PolarHBondContact O-N 2.93Å; C136-D140 PolarHBondContact O-N 3.4Å |
| 137 | E | 91.7 | Very high | 89.7 | Confident | 102 Ų | 102 | 90.1 Ų | 90.1 | 48% | 0.477 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.2 | -70.2 | 169.7 | -171.7 | 0 | 0 | 112 | Q133 T134 K135 I139 D140 L141 | Q133-E137 WeakPolarHBondContact CG-OE1 3.39Å; Q133-E137 PolarHBondContact NE2-OE1 2.9Å; Q133-E137 WeakPolarHBondContact O-CG 3.34Å; Q133-E137 PolarHBondContact O-N 3.11Å; T134-E137 PolarHBondContact O-N 2.94Å; K135-E137 VanDerWaalsContact C-N 3.34Å; K135-E137 PolarHBondContact O-N 3.42Å; E137-I139 VanDerWaalsContact C-N 3.32Å; E137-I139 PolarHBondContact O-N 3.47Å; E137-D140 PolarHBondContact O-N 2.9Å; E137-L141 WeakPolarHBondContact O-CG 3.19Å; E137-L141 PolarHBondContact O-N 3.36Å |
| 138 | E | 91.3 | Very high | 89.7 | Confident | 93 Ų | 93 | 86.2 Ų | 86.2 | 44% | 0.435 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 175.4 | -171.1 | -170.8 | 160 | 0 | 0 | 111.9 | T134 K135 L141 K142 | T134-E138 PolarHBondContact O-N 3.49Å; K135-E138 PolarHBondContact O-N 3.13Å; E138-L141 PolarHBondContact O-N 3.2Å; E138-K142 WeakPolarHBondContact O-CG 3.16Å; E138-K142 PolarHBondContact O-N 2.99Å; E138-K142 WeakPolarHBondContact OE1-CE 3.45Å; E138-K142 IonicContact OE1-NZ 3.27Å; E138-K142 PolarHBondContact OE1-NZ 3.21Å |
| 139 | I | 90.3 | Very high | 90 | Very high | 24 Ų | 24 | 85.1 Ų | 85.1 | 12% | 0.123 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -70.1 | -41.7 | 179.2 | -70.7 | 157.9 | 0 | 0 | 0 | 111.3 | K135 C136 E137 L141 K142 M143 W311 | K135-I139 WeakPolarHBondContact O-CD1 3.47Å; K135-I139 WeakPolarHBondContact O-CG1 3.46Å; K135-I139 PolarHBondContact O-N 2.92Å; C136-I139 PolarHBondContact O-N 2.93Å; E137-I139 VanDerWaalsContact C-N 3.32Å; E137-I139 PolarHBondContact O-N 3.47Å; I139-L141 VanDerWaalsContact C-N 3.29Å; I139-L141 PolarHBondContact O-N 2.91Å; I139-K142 PolarHBondContact O-N 2.95Å; I139-M143 HydrophobicContact CG2-CG 4.23Å; I139-M143 WeakPolarHBondContact O-CB 3.49Å; I139-M143 VanDerWaalsContact O-CG 3.28Å; I139-M143 WeakPolarHBondContact O-CG 3.48Å; I139-M143 PolarHBondContact O-N 2.93Å; I139-W311 HydrophobicContact CD1-CB 3.65Å; I139-W311 HydrophobicContact CD1-CD2 3.88Å; I139-W311 HydrophobicContact CD1-CG 3.2Å; I139-W311 VanDerWaalsContact CD1-NE1 3.34Å; I139-W311 HydrophobicContact CG1-CG 4.43Å |
| 140 | D | 90 | Very high | 90.3 | Very high | 76 Ų | 76 | 80 Ų | 80 | 41% | 0.406 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 174.9 | -176.5 | 55.3 | 0 | 0 | 0 | 111.1 | C136 E137 M143 K144 | C136-D140 PolarHBondContact O-N 3.4Å; E137-D140 PolarHBondContact O-N 2.9Å; D140-M143 PolarHBondContact O-N 3.38Å; D140-K144 WeakPolarHBondContact O-CG 3.44Å; D140-K144 PolarHBondContact O-N 3.47Å; D140-K144 VanDerWaalsContact OD2-CE 3.27Å; D140-K144 WeakPolarHBondContact OD2-CE 3.42Å; D140-K144 IonicContact OD2-NZ 3.18Å; D140-K144 PolarHBondContact OD2-NZ 3.46Å |
| 141 | L | 92.3 | Very high | 90.3 | Very high | 108 Ų | 108 | 76.4 Ų | 76.4 | 57% | 0.565 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.8 | -46.5 | 173.5 | -74.1 | 170.1 | 0 | 0 | 0 | 112.4 | E137 E138 I139 M143 K144 L145 | E137-L141 WeakPolarHBondContact O-CG 3.19Å; E137-L141 PolarHBondContact O-N 3.36Å; E138-L141 PolarHBondContact O-N 3.2Å; I139-L141 VanDerWaalsContact C-N 3.29Å; I139-L141 PolarHBondContact O-N 2.91Å; L141-M143 VanDerWaalsContact C-N 3.33Å; L141-M143 PolarHBondContact O-N 3.46Å; L141-K144 PolarHBondContact O-N 3.31Å; L141-L145 WeakPolarHBondContact O-CG 3.38Å; L141-L145 PolarHBondContact O-N 3.41Å |
| 142 | K | 91.6 | Very high | 90.5 | Very high | 89 Ų | 89 | 78.8 Ų | 78.8 | 39% | 0.387 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 175.2 | -75.6 | 176.8 | -175 | 168.3 | 0 | 111.3 | E138 I139 L145 K146 | E138-K142 WeakPolarHBondContact O-CG 3.16Å; E138-K142 PolarHBondContact O-N 2.99Å; E138-K142 WeakPolarHBondContact OE1-CE 3.45Å; E138-K142 IonicContact OE1-NZ 3.27Å; E138-K142 PolarHBondContact OE1-NZ 3.21Å; I139-K142 PolarHBondContact O-N 2.95Å; K142-L145 PolarHBondContact O-N 3.38Å; K142-K146 WeakPolarHBondContact O-CB 3.33Å; K142-K146 WeakPolarHBondContact O-CG 3.39Å; K142-K146 PolarHBondContact O-N 2.66Å |
| 143 | M | 89.7 | Confident | 90.8 | Very high | 27 Ų | 27 | 74.4 Ų | 74.4 | 13% | 0.133 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.7 | -42 | 178.5 | -73.4 | -64.8 | 143.3 | 0 | 0 | 112.1 | I139 D140 L141 K146 Q147 M304 I307 L308 | I139-M143 HydrophobicContact CG2-CG 4.23Å; I139-M143 WeakPolarHBondContact O-CB 3.49Å; I139-M143 VanDerWaalsContact O-CG 3.28Å; I139-M143 WeakPolarHBondContact O-CG 3.48Å; I139-M143 PolarHBondContact O-N 2.93Å; D140-M143 PolarHBondContact O-N 3.38Å; L141-M143 VanDerWaalsContact C-N 3.33Å; L141-M143 PolarHBondContact O-N 3.46Å; M143-K146 CarbonylContact O-C 3.6Å; M143-K146 PolarHBondContact O-N 2.93Å; M143-Q147 WeakPolarHBondContact O-CG 3.45Å; M143-Q147 PolarHBondContact O-N 3.27Å; M143-M304 HydrophobicContact SD-CB 4.48Å; M143-I307 HydrophobicContact CE-CB 3.51Å; M143-I307 HydrophobicContact CE-CD1 4.28Å; M143-I307 HydrophobicContact CE-CG2 3.33Å; M143-L308 HydrophobicContact CE-CD2 3.77Å; M143-L308 HydrophobicContact CE-CG 3.7Å; M143-L308 HydrophobicContact SD-CD2 4.24Å; M143-L308 HydrophobicContact SD-CG 4.31Å |
| 144 | K | 90.5 | Very high | 90.9 | Very high | 115 Ų | 115 | 72.6 Ų | 72.6 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 174.7 | -77.4 | 168.8 | 175.8 | 160.9 | 0 | 112.6 | D140 L141 K146 Q147 G148 | D140-K144 WeakPolarHBondContact O-CG 3.44Å; D140-K144 PolarHBondContact O-N 3.47Å; D140-K144 VanDerWaalsContact OD2-CE 3.27Å; D140-K144 WeakPolarHBondContact OD2-CE 3.42Å; D140-K144 IonicContact OD2-NZ 3.18Å; D140-K144 PolarHBondContact OD2-NZ 3.46Å; L141-K144 PolarHBondContact O-N 3.31Å; K144-K146 VanDerWaalsContact C-N 3.31Å; K144-K146 PolarHBondContact O-N 3.34Å; K144-Q147 PolarHBondContact O-N 3.32Å; K144-G148 PolarHBondContact O-N 2.96Å |
| 145 | L | 89.9 | Confident | 91 | Very high | 125 Ų | 125 | 78 Ų | 78 | 65% | 0.654 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.7 | -45 | 174.6 | -70.1 | 173.4 | 0 | 0 | 0 | 110.9 | L141 K142 Q147 G148 D149 | L141-L145 WeakPolarHBondContact O-CG 3.38Å; L141-L145 PolarHBondContact O-N 3.41Å; K142-L145 PolarHBondContact O-N 3.38Å; L145-Q147 PolarHBondContact O-N 2.93Å; L145-G148 WeakPolarHBondContact O-CA 3.38Å; L145-G148 PolarHBondContact O-N 2.98Å; L145-D149 PolarHBondContact O-N 3.12Å |
| 146 | K | 90 | Very high | 91.1 | Very high | 48 Ų | 48 | 77.1 Ų | 77.1 | 21% | 0.209 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.7 | -37.4 | 179 | -72.3 | -72.5 | 171.4 | -160.1 | 0 | 113.1 | K142 M143 K144 G148 D149 L150 E300 M304 I307 | K142-K146 WeakPolarHBondContact O-CB 3.33Å; K142-K146 WeakPolarHBondContact O-CG 3.39Å; K142-K146 PolarHBondContact O-N 2.66Å; M143-K146 CarbonylContact O-C 3.6Å; M143-K146 PolarHBondContact O-N 2.93Å; K144-K146 VanDerWaalsContact C-N 3.31Å; K144-K146 PolarHBondContact O-N 3.34Å; K146-G148 VanDerWaalsContact C-N 3.28Å; K146-G148 PolarHBondContact O-N 3.13Å; K146-D149 PolarHBondContact O-N 3.33Å; K146-D149 VanDerWaalsContact O-N 3.14Å; K146-L150 WeakPolarHBondContact O-CB 3.31Å; K146-L150 PolarHBondContact O-N 3.32Å; K146-E300 WeakPolarHBondContact CD-OE1 3.38Å; K146-E300 WeakPolarHBondContact CE-OE1 3.39Å; K146-E300 IonicContact NZ-OE1 2.92Å; K146-E300 PolarHBondContact NZ-OE1 3.37Å; K146-E300 IonicContact NZ-OE2 2.73Å; K146-M304 HydrophobicContact CB-CE 3.82Å; K146-M304 HydrophobicContact CB-CG 3.77Å; K146-M304 HydrophobicContact CB-SD 4Å; K146-M304 HydrophobicContact CD-CG 4.46Å; K146-M304 HydrophobicContact CG-CG 4.34Å; K146-M304 WeakPolarHBondContact O-CE 3.4Å; K146-I307 HydrophobicContact CD-CD1 4.22Å; K146-I307 HydrophobicContact CG-CD1 3.92Å |
| 147 | Q | 89.5 | Confident | 91.3 | Very high | 122 Ų | 122 | 76.4 Ų | 76.4 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.1 | -40 | 171 | -74.6 | 172.9 | -1.1 | 0 | 0 | 112 | M143 K144 L145 L150 A151 | M143-Q147 WeakPolarHBondContact O-CG 3.45Å; M143-Q147 PolarHBondContact O-N 3.27Å; K144-Q147 PolarHBondContact O-N 3.32Å; L145-Q147 PolarHBondContact O-N 2.93Å; Q147-L150 PolarHBondContact O-N 3.46Å; Q147-A151 PolarHBondContact O-N 2.91Å |
| 148 | G | 90.2 | Very high | 91.3 | Very high | 33 Ų | 33 | 75 Ų | 75 | 34% | 0.34 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K144 L145 K146 A151 K152 | K144-G148 PolarHBondContact O-N 2.96Å; L145-G148 WeakPolarHBondContact O-CA 3.38Å; L145-G148 PolarHBondContact O-N 2.98Å; K146-G148 VanDerWaalsContact C-N 3.28Å; K146-G148 PolarHBondContact O-N 3.13Å; G148-A151 PolarHBondContact O-N 3.05Å; G148-K152 WeakPolarHBondContact O-CG 3.35Å; G148-K152 PolarHBondContact O-N 3.03Å |
| 149 | D | 91.8 | Very high | 91.3 | Very high | 60 Ų | 60 | 72 Ų | 72 | 32% | 0.321 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 176.1 | -69.2 | -23.8 | 0 | 0 | 0 | 112.3 | L145 K146 K152 A153 E300 | L145-D149 PolarHBondContact O-N 3.12Å; K146-D149 PolarHBondContact O-N 3.33Å; K146-D149 VanDerWaalsContact O-N 3.14Å; D149-K152 WeakPolarHBondContact O-CB 3.41Å; D149-K152 PolarHBondContact O-N 3Å; D149-K152 IonicContact OD1-NZ 3.16Å; D149-K152 PolarHBondContact OD1-NZ 3.18Å; D149-A153 WeakPolarHBondContact O-CB 3.42Å; D149-A153 PolarHBondContact O-N 3.37Å; D149-E300 HydrophobicContact CB-CG 4.23Å |
| 150 | L | 93.8 | Very high | 91.3 | Very high | 43 Ų | 43 | 71 Ų | 71 | 23% | 0.225 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 173.4 | 178.1 | 63.1 | 0 | 0 | 0 | 111.7 | K146 Q147 K152 A153 V154 A297 E300 I301 M304 | K146-L150 WeakPolarHBondContact O-CB 3.31Å; K146-L150 PolarHBondContact O-N 3.32Å; Q147-L150 PolarHBondContact O-N 3.46Å; L150-K152 VanDerWaalsContact C-N 3.28Å; L150-K152 PolarHBondContact O-N 3.46Å; L150-A153 WeakPolarHBondContact O-CB 3.42Å; L150-A153 PolarHBondContact O-N 2.85Å; L150-A153 VanDerWaalsContact O-N 3.13Å; L150-V154 HydrophobicContact CD1-CG2 4.11Å; L150-V154 HydrophobicContact CG-CG2 4.35Å; L150-V154 WeakPolarHBondContact O-CB 3.4Å; L150-V154 VanDerWaalsContact O-CG2 3.31Å; L150-V154 WeakPolarHBondContact O-CG2 3.28Å; L150-V154 PolarHBondContact O-N 3.26Å; L150-A297 HydrophobicContact CD1-CB 4.13Å; L150-E300 HydrophobicContact CB-CG 4.17Å; L150-E300 HydrophobicContact CD1-CB 4.23Å; L150-I301 HydrophobicContact CD1-CD1 4.45Å; L150-I301 HydrophobicContact CD1-CG1 3.92Å; L150-M304 HydrophobicContact CB-CE 3.36Å; L150-M304 HydrophobicContact CD2-CE 3.71Å; L150-M304 HydrophobicContact CG-CE 4.06Å |
| 151 | A | 91.5 | Very high | 91.4 | Very high | 64 Ų | 64 | 73.3 Ų | 73.3 | 53% | 0.529 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q147 G148 R155 | Q147-A151 PolarHBondContact O-N 2.91Å; G148-A151 PolarHBondContact O-N 3.05Å; A151-R155 WeakPolarHBondContact O-CB 3.39Å; A151-R155 PolarHBondContact O-N 3.47Å; A151-R155 VanDerWaalsContact O-N 3.08Å |
| 152 | K | 92 | Very high | 91.4 | Very high | 131 Ų | 131 | 74 Ų | 74 | 57% | 0.57 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.7 | -42.6 | 172.9 | -66.8 | 170.6 | -169.8 | 161.6 | 0 | 111.7 | G148 D149 L150 R155 N156 | G148-K152 WeakPolarHBondContact O-CG 3.35Å; G148-K152 PolarHBondContact O-N 3.03Å; D149-K152 WeakPolarHBondContact O-CB 3.41Å; D149-K152 PolarHBondContact O-N 3Å; D149-K152 IonicContact OD1-NZ 3.16Å; D149-K152 PolarHBondContact OD1-NZ 3.18Å; L150-K152 VanDerWaalsContact C-N 3.28Å; L150-K152 PolarHBondContact O-N 3.46Å; K152-R155 WeakPolarHBondContact O-CB 3.44Å; K152-R155 PolarHBondContact O-N 3.25Å; K152-N156 VanDerWaalsContact O-CG 3.29Å; K152-N156 PolarHBondContact O-N 2.93Å |
| 153 | A | 92.6 | Very high | 91.4 | Very high | 9 Ų | 9 | 70 Ų | 70 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63 | -46.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | D149 L150 R155 N156 D157 H296 E300 | D149-A153 WeakPolarHBondContact O-CB 3.42Å; D149-A153 PolarHBondContact O-N 3.37Å; L150-A153 WeakPolarHBondContact O-CB 3.42Å; L150-A153 PolarHBondContact O-N 2.85Å; L150-A153 VanDerWaalsContact O-N 3.13Å; A153-R155 VanDerWaalsContact C-N 3.33Å; A153-R155 PolarHBondContact O-N 2.94Å; A153-N156 WeakPolarHBondContact O-CB 2.87Å; A153-N156 PolarHBondContact O-N 3.44Å; A153-N156 VanDerWaalsContact O-N 3.12Å; A153-D157 PolarHBondContact O-N 3.38Å; A153-H296 HydrophobicContact CB-CB 3.83Å; A153-E300 HydrophobicContact CB-CB 4.26Å |
| 154 | V | 92.9 | Very high | 91.6 | Very high | 62 Ų | 62 | 70.2 Ų | 70.2 | 38% | 0.376 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 173.8 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | L150 N156 D157 I158 A297 | L150-V154 HydrophobicContact CD1-CG2 4.11Å; L150-V154 HydrophobicContact CG-CG2 4.35Å; L150-V154 WeakPolarHBondContact O-CB 3.4Å; L150-V154 VanDerWaalsContact O-CG2 3.31Å; L150-V154 WeakPolarHBondContact O-CG2 3.28Å; L150-V154 PolarHBondContact O-N 3.26Å; V154-N156 VanDerWaalsContact C-N 3.29Å; V154-N156 PolarHBondContact O-N 3Å; V154-D157 PolarHBondContact O-N 3.43Å; V154-I158 HydrophobicContact CG1-CD1 3.84Å; V154-I158 VanDerWaalsContact O-CG1 3.31Å; V154-I158 WeakPolarHBondContact O-CG1 3.46Å; V154-I158 PolarHBondContact O-N 3.49Å; V154-A297 HydrophobicContact CG2-CB 3.8Å |
| 155 | R | 92.2 | Very high | 91.7 | Very high | 173 Ų | 173 | 68.4 Ų | 68.4 | 65% | 0.653 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.8 | -41.4 | 175.6 | -176.9 | 177.7 | 179.2 | 163.4 | 0.3 | 111.7 | A151 K152 A153 I158 L159 | A151-R155 WeakPolarHBondContact O-CB 3.39Å; A151-R155 PolarHBondContact O-N 3.47Å; A151-R155 VanDerWaalsContact O-N 3.08Å; K152-R155 WeakPolarHBondContact O-CB 3.44Å; K152-R155 PolarHBondContact O-N 3.25Å; A153-R155 VanDerWaalsContact C-N 3.33Å; A153-R155 PolarHBondContact O-N 2.94Å; R155-I158 PolarHBondContact O-N 2.75Å; R155-L159 HydrophobicContact CG-CD1 4Å; R155-L159 WeakPolarHBondContact O-CB 3.27Å; R155-L159 VanDerWaalsContact O-CG 3.22Å; R155-L159 WeakPolarHBondContact O-CG 3.47Å; R155-L159 PolarHBondContact O-N 3.21Å |
| 156 | N | 91.1 | Very high | 91.8 | Very high | 72 Ų | 72 | 63.7 Ų | 63.7 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 177.7 | -71.1 | -18.2 | 0 | 0 | 0 | 112.3 | K152 A153 V154 L159 E160 | K152-N156 VanDerWaalsContact O-CG 3.29Å; K152-N156 PolarHBondContact O-N 2.93Å; A153-N156 WeakPolarHBondContact O-CB 2.87Å; A153-N156 PolarHBondContact O-N 3.44Å; A153-N156 VanDerWaalsContact O-N 3.12Å; V154-N156 VanDerWaalsContact C-N 3.29Å; V154-N156 PolarHBondContact O-N 3Å; N156-L159 PolarHBondContact O-N 3.42Å; N156-E160 WeakPolarHBondContact O-CG 3.46Å; N156-E160 PolarHBondContact O-N 3.31Å |
| 157 | D | 92 | Very high | 92 | Very high | 29 Ų | 29 | 61.4 Ų | 61.4 | 16% | 0.155 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 176 | -77.1 | -29.1 | 0 | 0 | 0 | 111.5 | A153 V154 L159 E160 E161 K295 H296 A297 | A153-D157 PolarHBondContact O-N 3.38Å; V154-D157 PolarHBondContact O-N 3.43Å; D157-L159 VanDerWaalsContact C-N 3.32Å; D157-L159 PolarHBondContact O-N 2.98Å; D157-E160 PolarHBondContact O-N 3.36Å; D157-E161 WeakPolarHBondContact O-CB 3.13Å; D157-E161 PolarHBondContact O-N 3.01Å; D157-K295 WeakPolarHBondContact OD1-CA 3.48Å; D157-K295 PolarHBondContact OD1-N 3.2Å; D157-H296 VanDerWaalsContact CG-N 3.34Å; D157-H296 IonicContact OD1-CD2 2.66Å; D157-H296 PolarHBondContact OD1-CD2 3.27Å; D157-H296 IonicContact OD1-CG 3.98Å; D157-H296 PolarHBondContact OD1-N 2.84Å; D157-H296 PolarHBondContact OD2-N 3.49Å; D157-H296 VanDerWaalsContact OD2-N 3.07Å; D157-A297 VanDerWaalsContact OD2-CB 3.31Å; D157-A297 WeakPolarHBondContact OD2-CB 3.33Å; D157-A297 PolarHBondContact OD2-N 2.88Å |
| 158 | I | 91.8 | Very high | 92.2 | Very high | 73 Ų | 73 | 59 Ų | 59 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 175.7 | -68.3 | 166.6 | 0 | 0 | 0 | 111 | V154 R155 K162 | V154-I158 HydrophobicContact CG1-CD1 3.84Å; V154-I158 VanDerWaalsContact O-CG1 3.31Å; V154-I158 WeakPolarHBondContact O-CG1 3.46Å; V154-I158 PolarHBondContact O-N 3.49Å; R155-I158 PolarHBondContact O-N 2.75Å; I158-K162 HydrophobicContact CG2-CD 3.97Å; I158-K162 HydrophobicContact CG2-CG 4.4Å; I158-K162 WeakPolarHBondContact O-CB 3.45Å; I158-K162 VanDerWaalsContact O-CG 3.3Å; I158-K162 WeakPolarHBondContact O-CG 3.34Å; I158-K162 PolarHBondContact O-N 2.8Å |
| 159 | L | 91.3 | Very high | 92.4 | Very high | 28 Ų | 28 | 61.8 Ų | 61.8 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 178.6 | -72.5 | 168 | 0 | 0 | 0 | 111.6 | R155 N156 D157 Y163 F225 G227 Y228 | R155-L159 HydrophobicContact CG-CD1 4Å; R155-L159 WeakPolarHBondContact O-CB 3.27Å; R155-L159 VanDerWaalsContact O-CG 3.22Å; R155-L159 WeakPolarHBondContact O-CG 3.47Å; R155-L159 PolarHBondContact O-N 3.21Å; N156-L159 PolarHBondContact O-N 3.42Å; D157-L159 VanDerWaalsContact C-N 3.32Å; D157-L159 PolarHBondContact O-N 2.98Å; L159-Y163 VanDerWaalsContact O-CB 3.23Å; L159-Y163 WeakPolarHBondContact O-CB 3.45Å; L159-Y163 PolarHBondContact O-N 3.09Å; L159-F225 HydrophobicContact CD2-CE1 4.1Å; L159-F225 HydrophobicContact CD2-CZ 4.36Å; L159-G227 WeakPolarHBondContact CD1-O 3.31Å; L159-Y228 HydrophobicContact CB-CD2 4.45Å |
| 160 | E | 91 | Very high | 92.6 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.019 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 174.1 | -79.2 | -173.4 | -179.6 | 0 | 0 | 111.7 | N156 D157 N164 Y228 I291 L293 K294 H296 | N156-E160 WeakPolarHBondContact O-CG 3.46Å; N156-E160 PolarHBondContact O-N 3.31Å; D157-E160 PolarHBondContact O-N 3.36Å; E160-N164 VanDerWaalsContact O-CB 3.25Å; E160-N164 WeakPolarHBondContact O-CB 3.48Å; E160-N164 PolarHBondContact O-N 3.06Å; E160-Y228 HydrophobicContact CB-CE2 4.41Å; E160-Y228 HydrophobicContact CG-CD2 4.16Å; E160-Y228 HydrophobicContact CG-CE2 3.34Å; E160-I291 HydrophobicContact CG-CG2 4.47Å; E160-L293 HydrophobicContact CB-CD2 3.86Å; E160-K294 PolarHBondContact OE2-N 3.41Å; E160-H296 IonicContact OE1-CD2 2.65Å; E160-H296 IonicContact OE1-CE1 3.88Å; E160-H296 IonicContact OE1-NE2 3.08Å; E160-H296 PolarHBondContact OE1-NE2 3.45Å; E160-H296 IonicContact OE2-NE2 3.94Å |
| 161 | E | 92 | Very high | 92.7 | Very high | 124 Ų | 124 | 59.4 Ų | 59.4 | 58% | 0.579 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.2 | -49.2 | 179 | -174 | 177.8 | -165.3 | 0 | 0 | 111.9 | D157 Y163 N164 S165 L293 | D157-E161 WeakPolarHBondContact O-CB 3.13Å; D157-E161 PolarHBondContact O-N 3.01Å; E161-Y163 VanDerWaalsContact C-N 3.33Å; E161-Y163 PolarHBondContact O-N 3.22Å; E161-N164 PolarHBondContact O-N 3.03Å; E161-S165 VanDerWaalsContact O-CB 3.31Å; E161-S165 WeakPolarHBondContact O-CB 3.44Å; E161-S165 PolarHBondContact O-N 2.99Å; E161-L293 HydrophobicContact CB-CD2 4.36Å |
| 162 | K | 92.4 | Very high | 92.9 | Very high | 123 Ų | 123 | 61.6 Ų | 61.6 | 54% | 0.535 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 177.3 | -77.1 | -179.6 | 179.2 | -179.8 | 0 | 111.9 | I158 S165 T166 F225 | I158-K162 HydrophobicContact CG2-CD 3.97Å; I158-K162 HydrophobicContact CG2-CG 4.4Å; I158-K162 WeakPolarHBondContact O-CB 3.45Å; I158-K162 VanDerWaalsContact O-CG 3.3Å; I158-K162 WeakPolarHBondContact O-CG 3.34Å; I158-K162 PolarHBondContact O-N 2.8Å; K162-S165 PolarHBondContact O-N 3.36Å; K162-T166 PolarHBondContact O-N 3.07Å; K162-T166 PolarHBondContact O-OG1 3.34Å; K162-F225 HydrophobicContact CB-CE2 3.93Å; K162-F225 HydrophobicContact CB-CZ 3.74Å |
| 163 | Y | 92.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.4 | -49 | 177.1 | -175.8 | -85.9 | 0 | 0 | 0 | 110.9 | L159 E161 S165 T166 V167 V222 F225 Y228 G233 N236 I291 | L159-Y163 VanDerWaalsContact O-CB 3.23Å; L159-Y163 WeakPolarHBondContact O-CB 3.45Å; L159-Y163 PolarHBondContact O-N 3.09Å; E161-Y163 VanDerWaalsContact C-N 3.33Å; E161-Y163 PolarHBondContact O-N 3.22Å; Y163-S165 VanDerWaalsContact C-N 3.32Å; Y163-S165 PolarHBondContact O-N 2.94Å; Y163-T166 WeakPolarHBondContact O-CB 3.45Å; Y163-T166 PolarHBondContact O-N 3.34Å; Y163-T166 VanDerWaalsContact O-N 3.15Å; Y163-V167 HydrophobicContact CD1-CG2 3.98Å; Y163-V167 HydrophobicContact CE1-CG2 3.57Å; Y163-V167 WeakPolarHBondContact O-CG2 3.31Å; Y163-V167 PolarHBondContact O-N 3.38Å; Y163-V222 HydrophobicContact CE2-CG1 4.04Å; Y163-V222 WeakPolarHBondContact OH-CG1 3.36Å; Y163-F225 HydrophobicContact CD2-CB 3.88Å; Y163-F225 AromaticContact CD2-CD1 3.64Å; Y163-F225 HydrophobicContact CD2-CD1 3.64Å; Y163-F225 HydrophobicContact CD2-CD2 4.12Å; Y163-F225 HydrophobicContact CD2-CE1 4.17Å; Y163-F225 AromaticContact CD2-CG 3.6Å; Y163-F225 HydrophobicContact CD2-CG 3.6Å; Y163-F225 HydrophobicContact CE2-CB 4.09Å; Y163-F225 HydrophobicContact CE2-CG 4.32Å; Y163-F225 HydrophobicContact CG-CD1 4.49Å; Y163-Y228 HydrophobicContact CD1-CD1 4.29Å; Y163-Y228 HydrophobicContact CD1-CE1 4.36Å; Y163-Y228 AromaticContact CD2-CD1 3.96Å; Y163-Y228 HydrophobicContact CD2-CD1 3.96Å; Y163-Y228 HydrophobicContact CE2-CD1 4.35Å; Y163-Y228 AromaticContact CG-CD1 3.92Å; Y163-Y228 HydrophobicContact CG-CD1 3.92Å; Y163-Y228 HydrophobicContact CG-CE1 4.41Å; Y163-Y228 HydrophobicContact CG-CG 4.47Å; Y163-G233 PolarHBondContact OH-O 2.91Å; Y163-N236 HydrophobicContact CE1-CB 4.4Å; Y163-N236 WeakPolarHBondContact OH-CB 3.03Å; Y163-I291 HydrophobicContact CD1-CD1 3.19Å; Y163-I291 HydrophobicContact CD1-CG1 3.98Å; Y163-I291 HydrophobicContact CE1-CD1 3.49Å; Y163-I291 VanDerWaalsContact CE1-CD1 3.49Å; Y163-I291 HydrophobicContact CE1-CG1 4.19Å; Y163-I291 HydrophobicContact CG-CD1 4.16Å |
| 164 | N | 92.1 | Very high | 93.2 | Very high | 33 Ų | 33 | 56.2 Ų | 56.2 | 18% | 0.176 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -39.9 | 179.6 | -169.9 | 56.5 | 0 | 0 | 0 | 111.9 | E160 E161 T166 V167 Q168 I291 | E160-N164 VanDerWaalsContact O-CB 3.25Å; E160-N164 WeakPolarHBondContact O-CB 3.48Å; E160-N164 PolarHBondContact O-N 3.06Å; E161-N164 PolarHBondContact O-N 3.03Å; N164-T166 VanDerWaalsContact C-N 3.34Å; N164-T166 PolarHBondContact O-N 3.08Å; N164-V167 PolarHBondContact O-N 3.48Å; N164-Q168 WeakPolarHBondContact O-CG 3.04Å; N164-Q168 PolarHBondContact O-N 3.33Å; N164-I291 HydrophobicContact CB-CB 4.3Å; N164-I291 PolarHBondContact OD1-N 3.03Å |
| 165 | S | 93.1 | Very high | 93.3 | Very high | 76 Ų | 76 | 55.3 Ų | 55.3 | 53% | 0.531 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 173.9 | -178.4 | 0 | 0 | 0 | 0 | 111.8 | E161 K162 Y163 V167 Q168 H169 | E161-S165 VanDerWaalsContact O-CB 3.31Å; E161-S165 WeakPolarHBondContact O-CB 3.44Å; E161-S165 PolarHBondContact O-N 2.99Å; K162-S165 PolarHBondContact O-N 3.36Å; Y163-S165 VanDerWaalsContact C-N 3.32Å; Y163-S165 PolarHBondContact O-N 2.94Å; S165-V167 PolarHBondContact O-N 3.45Å; S165-Q168 PolarHBondContact O-N 3.48Å; S165-H169 PolarHBondContact O-N 3.45Å |
| 166 | T | 92.8 | Very high | 93.3 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 17% | 0.166 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 176 | -48.2 | 0 | 0 | 0 | 0 | 111.4 | K162 Y163 N164 H169 V170 K221 V222 | K162-T166 PolarHBondContact O-N 3.07Å; K162-T166 PolarHBondContact O-OG1 3.34Å; Y163-T166 WeakPolarHBondContact O-CB 3.45Å; Y163-T166 PolarHBondContact O-N 3.34Å; Y163-T166 VanDerWaalsContact O-N 3.15Å; N164-T166 VanDerWaalsContact C-N 3.34Å; N164-T166 PolarHBondContact O-N 3.08Å; T166-H169 WeakPolarHBondContact O-CB 3.48Å; T166-H169 PolarHBondContact O-N 3.35Å; T166-V170 PolarHBondContact O-N 3.24Å; T166-K221 HydrophobicContact CG2-CB 3.72Å; T166-V222 HydrophobicContact CG2-CB 4.47Å; T166-V222 HydrophobicContact CG2-CG2 3.53Å |
| 167 | V | 93.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 174.3 | 174.1 | 0 | 0 | 0 | 0 | 112 | Y163 N164 S165 H169 V170 K171 V222 L288 | Y163-V167 HydrophobicContact CD1-CG2 3.98Å; Y163-V167 HydrophobicContact CE1-CG2 3.57Å; Y163-V167 WeakPolarHBondContact O-CG2 3.31Å; Y163-V167 PolarHBondContact O-N 3.38Å; N164-V167 PolarHBondContact O-N 3.48Å; S165-V167 PolarHBondContact O-N 3.45Å; V167-H169 VanDerWaalsContact C-N 3.27Å; V167-H169 PolarHBondContact O-N 2.67Å; V167-V170 PolarHBondContact O-N 2.94Å; V167-K171 PolarHBondContact O-N 3.13Å; V167-V222 HydrophobicContact CG2-CG1 4.04Å; V167-V222 HydrophobicContact CG2-CG2 4.16Å; V167-L288 HydrophobicContact CG1-CB 4.09Å |
| 168 | Q | 93.9 | Very high | 93.4 | Very high | 71 Ų | 71 | 47.2 Ų | 47.2 | 33% | 0.332 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63 | -36.7 | 174.8 | -69.3 | -49 | -35.3 | 0 | 0 | 111.8 | N164 S165 V170 K171 H172 N290 | N164-Q168 WeakPolarHBondContact O-CG 3.04Å; N164-Q168 PolarHBondContact O-N 3.33Å; S165-Q168 PolarHBondContact O-N 3.48Å; Q168-V170 VanDerWaalsContact C-N 3.35Å; Q168-V170 PolarHBondContact O-N 3.05Å; Q168-K171 PolarHBondContact O-N 3.45Å; Q168-H172 WeakPolarHBondContact O-CB 3.47Å; Q168-H172 PolarHBondContact O-N 2.88Å; Q168-N290 PolarHBondContact NE2-ND2 3.22Å; Q168-N290 PolarHBondContact NE2-OD1 3.35Å |
| 169 | H | 95.5 | Very high | 93.2 | Very high | 92 Ų | 92 | 50.7 Ų | 50.7 | 43% | 0.426 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 177.2 | -166.1 | 173.8 | 0 | 0 | 0 | 111.3 | S165 T166 V167 K171 H172 I173 | S165-H169 PolarHBondContact O-N 3.45Å; T166-H169 WeakPolarHBondContact O-CB 3.48Å; T166-H169 PolarHBondContact O-N 3.35Å; V167-H169 VanDerWaalsContact C-N 3.27Å; V167-H169 PolarHBondContact O-N 2.67Å; H169-K171 VanDerWaalsContact C-N 3.34Å; H169-K171 PolarHBondContact O-N 2.92Å; H169-H172 PolarHBondContact O-N 3.15Å; H169-I173 WeakPolarHBondContact CD2-CD1 3.3Å; H169-I173 WeakPolarHBondContact NE2-CD1 3.43Å; H169-I173 WeakPolarHBondContact O-CG1 3.47Å; H169-I173 PolarHBondContact O-N 3.18Å |
| 170 | V | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.8 | -47.6 | 174 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | T166 V167 Q168 H172 I173 W174 L215 A218 V222 L288 | T166-V170 PolarHBondContact O-N 3.24Å; V167-V170 PolarHBondContact O-N 2.94Å; Q168-V170 VanDerWaalsContact C-N 3.35Å; Q168-V170 PolarHBondContact O-N 3.05Å; V170-H172 VanDerWaalsContact C-N 3.33Å; V170-H172 PolarHBondContact O-N 3.1Å; V170-I173 PolarHBondContact O-N 3.06Å; V170-W174 WeakPolarHBondContact O-CB 3.41Å; V170-W174 PolarHBondContact O-N 3.46Å; V170-L215 HydrophobicContact CG1-CD1 3.77Å; V170-A218 HydrophobicContact CG2-CB 3.8Å; V170-A218 WeakPolarHBondContact CG2-O 3.48Å; V170-V222 HydrophobicContact CG2-CG2 3.83Å; V170-L288 HydrophobicContact CB-CD1 4.05Å; V170-L288 HydrophobicContact CG1-CD1 3.57Å |
| 171 | K | 95.5 | Very high | 92.9 | Very high | 52 Ų | 52 | 50.4 Ų | 50.4 | 23% | 0.226 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 177.9 | -68.8 | -178 | 174.4 | -172.1 | 0 | 112.7 | V167 Q168 H169 W174 A175 V285 L288 N290 | V167-K171 PolarHBondContact O-N 3.13Å; Q168-K171 PolarHBondContact O-N 3.45Å; H169-K171 VanDerWaalsContact C-N 3.34Å; H169-K171 PolarHBondContact O-N 2.92Å; K171-W174 PolarHBondContact O-N 2.82Å; K171-A175 PolarHBondContact O-N 3.33Å; K171-V285 HydrophobicContact CG-CG1 4.42Å; K171-L288 WeakPolarHBondContact CE-O 3.42Å; K171-L288 HydrophobicContact CG-CD1 4.36Å; K171-L288 PolarHBondContact NZ-O 2.87Å; K171-N290 PolarHBondContact NZ-OD1 3.26Å |
| 172 | H | 95.7 | Very high | 92.6 | Very high | 110 Ų | 110 | 47.6 Ų | 47.6 | 51% | 0.509 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.9 | -47.9 | 178.4 | 178.2 | 74.2 | 0 | 0 | 0 | 111.3 | Q168 H169 V170 W174 A175 L176 | Q168-H172 WeakPolarHBondContact O-CB 3.47Å; Q168-H172 PolarHBondContact O-N 2.88Å; H169-H172 PolarHBondContact O-N 3.15Å; V170-H172 VanDerWaalsContact C-N 3.33Å; V170-H172 PolarHBondContact O-N 3.1Å; H172-W174 VanDerWaalsContact C-N 3.31Å; H172-W174 PolarHBondContact O-N 2.83Å; H172-A175 WeakPolarHBondContact O-CB 3.36Å; H172-A175 PolarHBondContact O-N 2.97Å; H172-A175 VanDerWaalsContact O-N 3.15Å; H172-L176 PolarHBondContact O-N 3.39Å; H172-L176 VanDerWaalsContact O-N 3.12Å |
| 173 | I | 95.4 | Very high | 92 | Very high | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 176.6 | -66.8 | 160.5 | 0 | 0 | 0 | 110.4 | H169 V170 A175 L176 I177 K211 N214 L215 A218 | H169-I173 WeakPolarHBondContact CD2-CD1 3.3Å; H169-I173 WeakPolarHBondContact NE2-CD1 3.43Å; H169-I173 WeakPolarHBondContact O-CG1 3.47Å; H169-I173 PolarHBondContact O-N 3.18Å; V170-I173 PolarHBondContact O-N 3.06Å; I173-A175 VanDerWaalsContact C-N 3.32Å; I173-A175 PolarHBondContact O-N 3.39Å; I173-L176 WeakPolarHBondContact O-CB 3.31Å; I173-L176 PolarHBondContact O-N 3.37Å; I173-L176 VanDerWaalsContact O-N 3.09Å; I173-I177 HydrophobicContact CG2-CD1 3.92Å; I173-I177 HydrophobicContact CG2-CG1 4.41Å; I173-I177 WeakPolarHBondContact O-CG1 3.3Å; I173-I177 PolarHBondContact O-N 3.28Å; I173-K211 WeakPolarHBondContact CG2-O 3.42Å; I173-N214 HydrophobicContact CD1-CB 4.17Å; I173-N214 WeakPolarHBondContact CD1-O 3.48Å; I173-N214 HydrophobicContact CG2-CB 4.23Å; I173-L215 HydrophobicContact CB-CD1 4.27Å; I173-L215 HydrophobicContact CG2-CB 3.8Å; I173-L215 HydrophobicContact CG2-CD1 4.13Å; I173-A218 HydrophobicContact CD1-CB 3.47Å; I173-A218 VanDerWaalsContact CD1-CB 3.47Å |
| 174 | W | 95.6 | Very high | 91.5 | Very high | 21 Ų | 21 | 45 Ų | 45 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.7 | -44.1 | 174.9 | 171.5 | -107.5 | 0 | 0 | 0 | 112.8 | V170 K171 H172 L176 I177 S178 L215 M278 L281 N282 V285 | V170-W174 WeakPolarHBondContact O-CB 3.41Å; V170-W174 PolarHBondContact O-N 3.46Å; K171-W174 PolarHBondContact O-N 2.82Å; H172-W174 VanDerWaalsContact C-N 3.31Å; H172-W174 PolarHBondContact O-N 2.83Å; W174-L176 VanDerWaalsContact C-N 3.26Å; W174-L176 PolarHBondContact O-N 3.13Å; W174-I177 PolarHBondContact O-N 3.23Å; W174-S178 WeakPolarHBondContact O-CB 3.46Å; W174-S178 PolarHBondContact O-N 3.45Å; W174-L215 HydrophobicContact CB-CD1 4.36Å; W174-L215 HydrophobicContact CE3-CD2 4.29Å; W174-M278 HydrophobicContact CH2-CE 3.33Å; W174-M278 WeakPolarHBondContact CH2-O 3.42Å; W174-M278 HydrophobicContact CH2-SD 4.29Å; W174-M278 HydrophobicContact CZ2-CE 4.4Å; W174-M278 HydrophobicContact CZ3-CE 3.4Å; W174-M278 VanDerWaalsContact CZ3-CE 3.4Å; W174-M278 HydrophobicContact CZ3-SD 4.17Å; W174-L281 HydrophobicContact CE3-CD2 4.27Å; W174-L281 HydrophobicContact CE3-CG 4.15Å; W174-L281 HydrophobicContact CH2-CB 4.33Å; W174-L281 HydrophobicContact CH2-CG 4.27Å; W174-L281 HydrophobicContact CZ3-CB 4.12Å; W174-L281 HydrophobicContact CZ3-CD2 3.65Å; W174-L281 HydrophobicContact CZ3-CG 3.6Å; W174-N282 VanDerWaalsContact CE2-OD1 3.25Å; W174-N282 HydrophobicContact CH2-CB 3.85Å; W174-N282 HydrophobicContact CZ2-CB 3.25Å; W174-N282 VanDerWaalsContact CZ2-OD1 3.24Å; W174-N282 WeakPolarHBondContact CZ2-OD1 3.49Å; W174-N282 PolarHBondContact NE1-OD1 3.36Å; W174-V285 HydrophobicContact CB-CB 4.47Å; W174-V285 HydrophobicContact CB-CG1 3.74Å; W174-V285 HydrophobicContact CB-CG2 4.24Å; W174-V285 HydrophobicContact CD2-CB 4.27Å; W174-V285 HydrophobicContact CD2-CG1 4.39Å; W174-V285 HydrophobicContact CD2-CG2 3.99Å; W174-V285 HydrophobicContact CE3-CG2 4.14Å; W174-V285 HydrophobicContact CG-CB 4.01Å; W174-V285 HydrophobicContact CG-CG1 3.62Å; W174-V285 HydrophobicContact CG-CG2 3.99Å |
| 175 | A | 94.4 | Very high | 91.1 | Very high | 43 Ų | 43 | 46.4 Ų | 46.4 | 36% | 0.355 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.6 | -36.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | K171 H172 I173 K179 | K171-A175 PolarHBondContact O-N 3.33Å; H172-A175 WeakPolarHBondContact O-CB 3.36Å; H172-A175 PolarHBondContact O-N 2.97Å; H172-A175 VanDerWaalsContact O-N 3.15Å; I173-A175 VanDerWaalsContact C-N 3.32Å; I173-A175 PolarHBondContact O-N 3.39Å; A175-K179 VanDerWaalsContact O-CG 3.3Å; A175-K179 WeakPolarHBondContact O-CG 3.46Å; A175-K179 PolarHBondContact O-N 3.39Å; A175-K179 VanDerWaalsContact O-N 3.13Å |
| 176 | L | 92.7 | Very high | 90.4 | Very high | 59 Ų | 59 | 49 Ų | 49 | 31% | 0.309 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.4 | -44 | 174.1 | -63.1 | 177.2 | 0 | 0 | 0 | 112.1 | H172 I173 W174 K179 A180 | H172-L176 PolarHBondContact O-N 3.39Å; H172-L176 VanDerWaalsContact O-N 3.12Å; I173-L176 WeakPolarHBondContact O-CB 3.31Å; I173-L176 PolarHBondContact O-N 3.37Å; I173-L176 VanDerWaalsContact O-N 3.09Å; W174-L176 VanDerWaalsContact C-N 3.26Å; W174-L176 PolarHBondContact O-N 3.13Å; L176-K179 PolarHBondContact O-N 3.26Å; L176-A180 PolarHBondContact O-N 2.8Å |
| 177 | I | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.9 | -48.4 | 176.8 | -64.3 | 163.6 | 0 | 0 | 0 | 110.3 | I173 W174 K179 A180 V181 V208 K211 M212 L215 M278 | I173-I177 HydrophobicContact CG2-CD1 3.92Å; I173-I177 HydrophobicContact CG2-CG1 4.41Å; I173-I177 WeakPolarHBondContact O-CG1 3.3Å; I173-I177 PolarHBondContact O-N 3.28Å; W174-I177 PolarHBondContact O-N 3.23Å; I177-K179 VanDerWaalsContact C-N 3.31Å; I177-K179 PolarHBondContact O-N 3.39Å; I177-A180 PolarHBondContact O-N 3.36Å; I177-A180 VanDerWaalsContact O-N 3.1Å; I177-V181 HydrophobicContact CG2-CG2 4.35Å; I177-V181 PolarHBondContact O-N 3.32Å; I177-V208 HydrophobicContact CG2-CG1 4.39Å; I177-K211 HydrophobicContact CD1-CB 4.2Å; I177-K211 HydrophobicContact CG1-CB 3.49Å; I177-K211 VanDerWaalsContact CG1-CB 3.49Å; I177-M212 HydrophobicContact CD1-SD 3.9Å; I177-M212 HydrophobicContact CG2-SD 4.25Å; I177-L215 HydrophobicContact CD1-CB 3.87Å; I177-L215 HydrophobicContact CD1-CD2 3.81Å; I177-L215 HydrophobicContact CD1-CG 4.31Å; I177-M278 HydrophobicContact CG2-CE 3.51Å |
| 178 | S | 91.7 | Very high | 88.5 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 32% | 0.315 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.2 | -41.7 | -179.5 | -178.7 | 0 | 0 | 0 | 0 | 112 | W174 V181 T182 | W174-S178 WeakPolarHBondContact O-CB 3.46Å; W174-S178 PolarHBondContact O-N 3.45Å; S178-V181 PolarHBondContact O-N 2.81Å; S178-T182 WeakPolarHBondContact O-CB 3.47Å; S178-T182 PolarHBondContact O-N 3.14Å; S178-T182 PolarHBondContact O-OG1 3.19Å |
| 179 | K | 88.7 | Confident | 87.4 | Confident | 146 Ų | 146 | 49.4 Ų | 49.4 | 64% | 0.635 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.8 | -47.2 | 172.5 | -75.5 | 176.5 | -178.2 | -175.9 | 0 | 111.8 | A175 L176 I177 T182 V183 | A175-K179 VanDerWaalsContact O-CG 3.3Å; A175-K179 WeakPolarHBondContact O-CG 3.46Å; A175-K179 PolarHBondContact O-N 3.39Å; A175-K179 VanDerWaalsContact O-N 3.13Å; L176-K179 PolarHBondContact O-N 3.26Å; I177-K179 VanDerWaalsContact C-N 3.31Å; I177-K179 PolarHBondContact O-N 3.39Å; K179-T182 WeakPolarHBondContact O-CB 3.46Å; K179-T182 PolarHBondContact O-N 2.82Å; K179-V183 PolarHBondContact O-N 3.26Å |
| 180 | A | 86.9 | Confident | 85.7 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L176 I177 T182 V183 V184 L207 V208 | L176-A180 PolarHBondContact O-N 2.8Å; I177-A180 PolarHBondContact O-N 3.36Å; I177-A180 VanDerWaalsContact O-N 3.1Å; A180-T182 VanDerWaalsContact C-N 3.31Å; A180-T182 PolarHBondContact O-N 3.27Å; A180-V183 WeakPolarHBondContact O-CB 3.31Å; A180-V183 PolarHBondContact O-N 2.82Å; A180-V183 VanDerWaalsContact O-N 3.15Å; A180-V184 PolarHBondContact O-N 3.18Å; A180-V184 VanDerWaalsContact O-N 3.08Å; A180-L207 HydrophobicContact CB-CD2 4.2Å; A180-V208 HydrophobicContact CB-CG2 3.74Å |
| 181 | V | 87.6 | Confident | 83.5 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 10% | 0.097 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.2 | -34.4 | 177.2 | 171.1 | 0 | 0 | 0 | 0 | 112.1 | I177 S178 V183 V184 H185 V208 F274 M278 | I177-V181 HydrophobicContact CG2-CG2 4.35Å; I177-V181 PolarHBondContact O-N 3.32Å; S178-V181 PolarHBondContact O-N 2.81Å; V181-V183 VanDerWaalsContact C-N 3.3Å; V181-V183 PolarHBondContact O-N 3.07Å; V181-V184 PolarHBondContact O-N 2.84Å; V181-H185 PolarHBondContact O-N 3.36Å; V181-V208 HydrophobicContact CG2-CG1 4.03Å; V181-V208 HydrophobicContact CG2-CG2 3.86Å; V181-F274 HydrophobicContact CG1-CE1 3.94Å; V181-F274 HydrophobicContact CG2-CE1 3.9Å; V181-F274 HydrophobicContact CG2-CZ 3.88Å; V181-M278 HydrophobicContact CG2-CE 3.98Å |
| 182 | T | 85.7 | Confident | 81.2 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 41% | 0.405 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 173.9 | -59 | 0 | 0 | 0 | 0 | 111.6 | S178 K179 A180 H185 K186 | S178-T182 WeakPolarHBondContact O-CB 3.47Å; S178-T182 PolarHBondContact O-N 3.14Å; S178-T182 PolarHBondContact O-OG1 3.19Å; K179-T182 WeakPolarHBondContact O-CB 3.46Å; K179-T182 PolarHBondContact O-N 2.82Å; A180-T182 VanDerWaalsContact C-N 3.31Å; A180-T182 PolarHBondContact O-N 3.27Å; T182-H185 PolarHBondContact O-N 3.36Å; T182-K186 WeakPolarHBondContact O-CG 3.39Å; T182-K186 PolarHBondContact O-N 2.95Å; T182-K186 VanDerWaalsContact O-N 3.07Å |
| 183 | V | 81.5 | Confident | 78.9 | Confident | 69 Ų | 69 | 66.9 Ų | 66.9 | 42% | 0.418 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | K179 A180 V181 H185 K186 S187 L204 | K179-V183 PolarHBondContact O-N 3.26Å; A180-V183 WeakPolarHBondContact O-CB 3.31Å; A180-V183 PolarHBondContact O-N 2.82Å; A180-V183 VanDerWaalsContact O-N 3.15Å; V181-V183 VanDerWaalsContact C-N 3.3Å; V181-V183 PolarHBondContact O-N 3.07Å; V183-H185 PolarHBondContact O-N 3.37Å; V183-K186 PolarHBondContact O-N 3.31Å; V183-S187 PolarHBondContact O-N 3.08Å; V183-L204 HydrophobicContact CG1-CD1 3.83Å; V183-L204 HydrophobicContact CG1-CD2 4.17Å |
| 184 | V | 80.7 | Confident | 76.7 | Confident | 4 Ų | 4 | 74.6 Ų | 74.6 | 2% | 0.024 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 175.1 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | A180 V181 K186 S187 L188 L204 F257 F271 | A180-V184 PolarHBondContact O-N 3.18Å; A180-V184 VanDerWaalsContact O-N 3.08Å; V181-V184 PolarHBondContact O-N 2.84Å; V184-K186 PolarHBondContact O-N 3.37Å; V184-S187 WeakPolarHBondContact O-CB 3.48Å; V184-S187 PolarHBondContact O-N 3.02Å; V184-S187 VanDerWaalsContact O-N 3.11Å; V184-S187 PolarHBondContact O-OG 3.48Å; V184-L188 HydrophobicContact CG1-CD1 4.19Å; V184-L188 PolarHBondContact O-N 3Å; V184-L204 HydrophobicContact CG2-CB 3.73Å; V184-L204 HydrophobicContact CG2-CD1 4.32Å; V184-F257 HydrophobicContact CG1-CE1 4.31Å; V184-F271 HydrophobicContact CB-CE2 4.41Å; V184-F271 HydrophobicContact CG1-CD2 4.34Å; V184-F271 HydrophobicContact CG1-CE2 3.66Å; V184-F271 HydrophobicContact CG1-CZ 4.36Å |
| 185 | H | 82.7 | Confident | 74.6 | Confident | 62 Ų | 62 | 79.4 Ų | 79.4 | 29% | 0.287 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 178.8 | -174.3 | 28.3 | 0 | 0 | 0 | 112.4 | V181 T182 V183 S187 L188 S189 F271 K275 | V181-H185 PolarHBondContact O-N 3.36Å; T182-H185 PolarHBondContact O-N 3.36Å; V183-H185 PolarHBondContact O-N 3.37Å; H185-S187 VanDerWaalsContact C-N 3.29Å; H185-S187 PolarHBondContact O-N 3.41Å; H185-L188 PolarHBondContact O-N 3.38Å; H185-S189 PolarHBondContact CE1-OG 3.12Å; H185-S189 VanDerWaalsContact CE1-OG 3.23Å; H185-S189 PolarHBondContact ND1-OG 2.98Å; H185-S189 PolarHBondContact O-N 2.74Å; H185-S189 VanDerWaalsContact O-N 3.09Å; H185-S189 PolarHBondContact O-OG 2.86Å; H185-F271 HydrophobicContact CB-CE1 4Å; H185-F271 HydrophobicContact CB-CZ 3.74Å; H185-F271 AromaticContact CG-CE1 3.92Å; H185-F271 AromaticContact ND1-CE1 3.42Å; H185-F271 WeakPolarHBondContact ND1-CE1 3.47Å; H185-K275 PolarHBondContact NE2-NZ 2.84Å |
| 186 | K | 79.2 | Confident | 72.9 | Confident | 129 Ų | 129 | 79.8 Ų | 79.8 | 56% | 0.561 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61 | -38.4 | 175.5 | -72 | 179.4 | 178.4 | -172.4 | 0 | 111.8 | T182 V183 V184 L188 S189 N190 | T182-K186 WeakPolarHBondContact O-CG 3.39Å; T182-K186 PolarHBondContact O-N 2.95Å; T182-K186 VanDerWaalsContact O-N 3.07Å; V183-K186 PolarHBondContact O-N 3.31Å; V184-K186 PolarHBondContact O-N 3.37Å; K186-L188 PolarHBondContact O-N 2.96Å; K186-S189 PolarHBondContact O-N 3.28Å; K186-N190 PolarHBondContact O-N 3.37Å |
| 187 | S | 73.5 | Confident | 71.5 | Confident | 7 Ų | 7 | 79.5 Ų | 79.5 | 5% | 0.049 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.1 | -18.4 | 178 | 79.8 | 0 | 0 | 0 | 0 | 115.1 | V183 V184 H185 R201 | V183-S187 PolarHBondContact O-N 3.08Å; V184-S187 WeakPolarHBondContact O-CB 3.48Å; V184-S187 PolarHBondContact O-N 3.02Å; V184-S187 VanDerWaalsContact O-N 3.11Å; V184-S187 PolarHBondContact O-OG 3.48Å; H185-S187 VanDerWaalsContact C-N 3.29Å; H185-S187 PolarHBondContact O-N 3.41Å; S187-R201 PolarHBondContact O-NH2 2.97Å |
| 188 | L | 73.5 | Confident | 70.3 | Confident | 38 Ų | 38 | 83.4 Ų | 83.4 | 20% | 0.199 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -99.1 | -19.3 | 176.7 | -65.9 | 168.7 | 0 | 0 | 0 | 112.8 | V184 H185 K186 F257 F271 | V184-L188 HydrophobicContact CG1-CD1 4.19Å; V184-L188 PolarHBondContact O-N 3Å; H185-L188 PolarHBondContact O-N 3.38Å; K186-L188 PolarHBondContact O-N 2.96Å; L188-F257 HydrophobicContact CD1-CE2 4.21Å; L188-F257 HydrophobicContact CD1-CZ 3.85Å; L188-F271 HydrophobicContact CD1-CB 3.98Å; L188-F271 HydrophobicContact CD1-CD1 3.66Å; L188-F271 HydrophobicContact CD1-CD2 3.4Å; L188-F271 HydrophobicContact CD1-CE1 3.99Å; L188-F271 HydrophobicContact CD1-CE2 3.74Å; L188-F271 HydrophobicContact CD1-CG 3.36Å; L188-F271 HydrophobicContact CD1-CZ 4.03Å |
| 189 | S | 70.7 | Confident | 69.4 | Low | 62 Ų | 62 | 90 Ų | 90 | 43% | 0.434 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -103 | -10.8 | -173.6 | -45.6 | 0 | 0 | 0 | 0 | 113.8 | H185 K186 D191 | H185-S189 PolarHBondContact CE1-OG 3.12Å; H185-S189 VanDerWaalsContact CE1-OG 3.23Å; H185-S189 PolarHBondContact ND1-OG 2.98Å; H185-S189 PolarHBondContact O-N 2.74Å; H185-S189 VanDerWaalsContact O-N 3.09Å; H185-S189 PolarHBondContact O-OG 2.86Å; K186-S189 PolarHBondContact O-N 3.28Å; S189-D191 PolarHBondContact O-N 3.25Å |
| 190 | N | 59 | Low | 68.5 | Low | 108 Ų | 108 | 86.9 Ų | 86.9 | 58% | 0.578 | 45% | 0.45 | S | S | * | . | trans | -76 | 106.4 | 178.7 | -81.7 | 4.5 | 0 | 0 | 0 | 110.7 | K186 D192 | K186-N190 PolarHBondContact O-N 3.37Å; N190-D192 PolarHBondContact O-N 3Å | ||
| 191 | D | 49.9 | Very low | 67.8 | Low | 169 Ų | 169 | 88.2 Ų | 88.2 | 90% | 0.904 | 45% | 0.453 | S | S | * | . | trans | -62.5 | -15.1 | 162.4 | -76.4 | -36 | 0 | 0 | 0 | 112.6 | S189 K193 | S189-D191 PolarHBondContact O-N 3.25Å; D191-K193 PolarHBondContact O-N 3.44Å | ||
| 192 | D | 47.5 | Very low | 67.3 | Low | 136 Ų | 136 | 91.9 Ų | 91.9 | 73% | 0.727 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -86.7 | 100.8 | 177.2 | -78.1 | -32.6 | 0 | 0 | 0 | 111.9 | N190 Q194 | N190-D192 PolarHBondContact O-N 3Å; D192-Q194 PolarHBondContact O-N 2.96Å |
| 193 | K | 47.8 | Very low | 67 | Low | 209 Ų | 209 | 93.3 Ų | 93.3 | 91% | 0.909 | 47% | 0.474 | S | S | * | . | S | Bend | trans | 15.4 | 11.4 | 150.2 | -69.4 | -176.5 | 179.3 | 176.7 | 0 | 123.2 | D191 | D191-K193 PolarHBondContact O-N 3.44Š|
| 194 | Q | 48.7 | Very low | 66.8 | Low | 168 Ų | 168 | 91.7 Ų | 91.7 | 79% | 0.785 | 46% | 0.462 | S | S | * | . | trans | -107.2 | 82.2 | 161.2 | -81.6 | -174.8 | -3.1 | 0 | 0 | 108 | D192 I196 | D192-Q194 PolarHBondContact O-N 2.96Å; Q194-I196 VanDerWaalsContact C-N 3.28Å; Q194-I196 PolarHBondContact O-N 2.92Å | ||
| 195 | T | 52.7 | Low | 66.9 | Low | 122 Ų | 122 | 91.6 Ų | 91.6 | 75% | 0.748 | 46% | 0.462 | S | S | * | . | trans | -53.2 | 98.5 | 158.4 | 12 | 0 | 0 | 0 | 0 | 107.7 | S197 | T195-S197 PolarHBondContact O-N 3.37Š| ||
| 196 | I | 56.7 | Low | 67 | Low | 51 Ų | 51 | 92 Ų | 92 | 26% | 0.262 | 47% | 0.469 | S | S | . | . | trans | -52.9 | 114.3 | 158.4 | -74 | 175.9 | 0 | 0 | 0 | 104.3 | Q194 N200 R201 | Q194-I196 VanDerWaalsContact C-N 3.28Å; Q194-I196 PolarHBondContact O-N 2.92Å; I196-N200 HydrophobicContact CG2-CB 3.35Å; I196-R201 HydrophobicContact CG2-CG 3.94Å | ||
| 197 | S | 64.5 | Low | 67.4 | Low | 52 Ų | 52 | 89.8 Ų | 89.8 | 36% | 0.364 | 46% | 0.463 | S | S | . | . | trans | -52 | 149.7 | -172.8 | 68.4 | 0 | 0 | 0 | 0 | 109.8 | T195 R199 N200 R201 | T195-S197 PolarHBondContact O-N 3.37Å; S197-R199 PolarHBondContact O-N 3.41Å; S197-N200 WeakPolarHBondContact O-CA 3.22Å; S197-N200 WeakPolarHBondContact O-CB 3.14Å; S197-N200 PolarHBondContact O-N 3.24Å; S197-N200 PolarHBondContact OG-N 3.35Å; S197-N200 VanDerWaalsContact OG-N 3.13Å; S197-R201 PolarHBondContact O-N 3.14Å | ||
| 198 | T | 67.8 | Low | 68.2 | Low | 83 Ų | 83 | 89.5 Ų | 89.5 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -46.9 | -40.8 | 173.9 | -49.1 | 0 | 0 | 0 | 0 | 110.8 | N200 R201 E202 | T198-N200 PolarHBondContact O-N 3.09Å; T198-R201 WeakPolarHBondContact O-CB 3.18Å; T198-R201 PolarHBondContact O-N 3.14Å; T198-R201 VanDerWaalsContact O-N 3.17Å; T198-E202 WeakPolarHBondContact O-CG 3.25Å; T198-E202 PolarHBondContact O-N 2.86Å |
| 199 | R | 71.5 | Confident | 69 | Low | 183 Ų | 183 | 92.1 Ų | 92.1 | 69% | 0.691 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -57.6 | -44.9 | 173.5 | -173.7 | 174.1 | -174.6 | 152.1 | 2.6 | 113.9 | S197 R201 E202 I203 | S197-R199 PolarHBondContact O-N 3.41Å; R199-R201 VanDerWaalsContact C-N 3.33Å; R199-E202 PolarHBondContact O-N 3.25Å; R199-I203 HydrophobicContact CG-CD1 4.13Å; R199-I203 VanDerWaalsContact O-CG1 3.24Å; R199-I203 WeakPolarHBondContact O-CG1 3.39Å; R199-I203 PolarHBondContact O-N 3.24Å |
| 200 | N | 71.3 | Confident | 69.9 | Low | 80 Ų | 80 | 93.3 Ų | 93.3 | 43% | 0.428 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.8 | -33.9 | 177.9 | -73 | -7.7 | 0 | 0 | 0 | 111.8 | I196 S197 T198 I203 L204 | I196-N200 HydrophobicContact CG2-CB 3.35Å; S197-N200 WeakPolarHBondContact O-CA 3.22Å; S197-N200 WeakPolarHBondContact O-CB 3.14Å; S197-N200 PolarHBondContact O-N 3.24Å; S197-N200 PolarHBondContact OG-N 3.35Å; S197-N200 VanDerWaalsContact OG-N 3.13Å; T198-N200 PolarHBondContact O-N 3.09Å; N200-I203 PolarHBondContact O-N 3.09Å; N200-L204 WeakPolarHBondContact O-CG 3.5Å; N200-L204 PolarHBondContact O-N 2.79Å |
| 201 | R | 71.2 | Confident | 71.5 | Confident | 38 Ų | 38 | 91.1 Ų | 91.1 | 14% | 0.143 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 172.3 | -65.9 | -179.8 | 176 | 169.2 | -1.1 | 111.1 | S187 I196 S197 T198 R199 I203 L204 V205 F261 | S187-R201 PolarHBondContact O-NH2 2.97Å; I196-R201 HydrophobicContact CG2-CG 3.94Å; S197-R201 PolarHBondContact O-N 3.14Å; T198-R201 WeakPolarHBondContact O-CB 3.18Å; T198-R201 PolarHBondContact O-N 3.14Å; T198-R201 VanDerWaalsContact O-N 3.17Å; R199-R201 VanDerWaalsContact C-N 3.33Å; R201-I203 PolarHBondContact O-N 3.37Å; R201-L204 PolarHBondContact O-N 3.41Å; R201-V205 WeakPolarHBondContact O-CG2 3.23Å; R201-V205 PolarHBondContact O-N 2.96Å; R201-F261 HydrophobicContact CB-CE1 4.09Å; R201-F261 HydrophobicContact CB-CZ 4.32Å |
| 202 | E | 76.7 | Confident | 73.6 | Confident | 93 Ų | 93 | 83.1 Ų | 83.1 | 44% | 0.435 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 175.5 | -72.9 | 168.1 | 176.4 | 0 | 0 | 112.2 | T198 R199 V205 T206 | T198-E202 WeakPolarHBondContact O-CG 3.25Å; T198-E202 PolarHBondContact O-N 2.86Å; R199-E202 PolarHBondContact O-N 3.25Å; E202-V205 PolarHBondContact O-N 2.88Å; E202-T206 WeakPolarHBondContact O-CB 3.3Å; E202-T206 PolarHBondContact O-N 3.42Å; E202-T206 PolarHBondContact O-OG1 3.4Å |
| 203 | I | 80.1 | Confident | 75.8 | Confident | 96 Ų | 96 | 79.7 Ų | 79.7 | 49% | 0.492 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 176 | -69.7 | 164.3 | 0 | 0 | 0 | 110.6 | R199 N200 R201 V205 T206 L207 | R199-I203 HydrophobicContact CG-CD1 4.13Å; R199-I203 VanDerWaalsContact O-CG1 3.24Å; R199-I203 WeakPolarHBondContact O-CG1 3.39Å; R199-I203 PolarHBondContact O-N 3.24Å; N200-I203 PolarHBondContact O-N 3.09Å; R201-I203 PolarHBondContact O-N 3.37Å; I203-V205 PolarHBondContact O-N 2.88Å; I203-T206 PolarHBondContact O-N 3.28Å; I203-L207 PolarHBondContact O-N 2.94Å |
| 204 | L | 77.5 | Confident | 78.1 | Confident | 35 Ų | 35 | 72.9 Ų | 72.9 | 18% | 0.183 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 179.6 | -73.6 | 170.1 | 0 | 0 | 0 | 112.3 | V183 V184 N200 R201 L207 V208 | V183-L204 HydrophobicContact CG1-CD1 3.83Å; V183-L204 HydrophobicContact CG1-CD2 4.17Å; V184-L204 HydrophobicContact CG2-CB 3.73Å; V184-L204 HydrophobicContact CG2-CD1 4.32Å; N200-L204 WeakPolarHBondContact O-CG 3.5Å; N200-L204 PolarHBondContact O-N 2.79Å; R201-L204 PolarHBondContact O-N 3.41Å; L204-L207 WeakPolarHBondContact O-CB 3.05Å; L204-L207 PolarHBondContact O-N 3.2Å; L204-V208 WeakPolarHBondContact O-CG2 3.34Å; L204-V208 PolarHBondContact O-N 3.22Å |
| 205 | V | 82.1 | Confident | 80.3 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.4 | -38.8 | 176.5 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | R201 E202 I203 L207 V208 K209 L254 F257 L258 F261 | R201-V205 WeakPolarHBondContact O-CG2 3.23Å; R201-V205 PolarHBondContact O-N 2.96Å; E202-V205 PolarHBondContact O-N 2.88Å; I203-V205 PolarHBondContact O-N 2.88Å; V205-L207 VanDerWaalsContact C-N 3.28Å; V205-L207 PolarHBondContact O-N 2.91Å; V205-V208 PolarHBondContact O-N 3.02Å; V205-K209 WeakPolarHBondContact O-CB 3.42Å; V205-K209 PolarHBondContact O-N 3.5Å; V205-L254 HydrophobicContact CG1-CD1 3.71Å; V205-L254 HydrophobicContact CG1-CD2 4.37Å; V205-L254 HydrophobicContact CG1-CG 4.08Å; V205-F257 HydrophobicContact CG2-CD1 4.34Å; V205-F257 HydrophobicContact CG2-CE1 3.85Å; V205-L258 HydrophobicContact CB-CD2 4.3Å; V205-L258 HydrophobicContact CG1-CD1 3.69Å; V205-L258 HydrophobicContact CG1-CD2 3.57Å; V205-L258 HydrophobicContact CG1-CG 3.64Å; V205-F261 HydrophobicContact CG2-CE2 4.14Å; V205-F261 HydrophobicContact CG2-CZ 3.84Å |
| 206 | T | 84.7 | Confident | 82.4 | Confident | 71 Ų | 71 | 61.6 Ų | 61.6 | 44% | 0.436 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 173.8 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | E202 I203 K209 N210 | E202-T206 WeakPolarHBondContact O-CB 3.3Å; E202-T206 PolarHBondContact O-N 3.42Å; E202-T206 PolarHBondContact O-OG1 3.4Å; I203-T206 PolarHBondContact O-N 3.28Å; T206-K209 PolarHBondContact O-N 3.43Å; T206-N210 PolarHBondContact O-N 2.75Å |
| 207 | L | 87.4 | Confident | 84.2 | Confident | 82 Ų | 82 | 63.7 Ų | 63.7 | 43% | 0.429 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 173.5 | -174 | 80 | 0 | 0 | 0 | 111.8 | A180 I203 L204 V205 K209 N210 K211 | A180-L207 HydrophobicContact CB-CD2 4.2Å; I203-L207 PolarHBondContact O-N 2.94Å; L204-L207 WeakPolarHBondContact O-CB 3.05Å; L204-L207 PolarHBondContact O-N 3.2Å; V205-L207 VanDerWaalsContact C-N 3.28Å; V205-L207 PolarHBondContact O-N 2.91Å; L207-K209 VanDerWaalsContact C-N 3.32Å; L207-K209 PolarHBondContact O-N 2.87Å; L207-N210 PolarHBondContact O-N 3.04Å; L207-K211 WeakPolarHBondContact O-CG 3.15Å; L207-K211 PolarHBondContact O-N 3.48Å |
| 208 | V | 90.3 | Very high | 85.7 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 176.2 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | I177 A180 V181 L204 V205 K211 M212 L254 F274 | I177-V208 HydrophobicContact CG2-CG1 4.39Å; A180-V208 HydrophobicContact CB-CG2 3.74Å; V181-V208 HydrophobicContact CG2-CG1 4.03Å; V181-V208 HydrophobicContact CG2-CG2 3.86Å; L204-V208 WeakPolarHBondContact O-CG2 3.34Å; L204-V208 PolarHBondContact O-N 3.22Å; V205-V208 PolarHBondContact O-N 3.02Å; V208-K211 PolarHBondContact O-N 3.41Å; V208-M212 HydrophobicContact CG1-CG 4.46Å; V208-M212 WeakPolarHBondContact O-CG 3.49Å; V208-M212 PolarHBondContact O-N 3.25Å; V208-L254 HydrophobicContact CG1-CD2 4.1Å; V208-F274 HydrophobicContact CG1-CZ 4.21Å |
| 209 | K | 89.9 | Confident | 87 | Confident | 93 Ų | 93 | 57.4 Ų | 57.4 | 40% | 0.404 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.4 | -52 | 177.7 | -173.7 | 177.6 | 176.6 | 179.7 | 0 | 111.8 | V205 T206 L207 K211 M212 D213 L254 | V205-K209 WeakPolarHBondContact O-CB 3.42Å; V205-K209 PolarHBondContact O-N 3.5Å; T206-K209 PolarHBondContact O-N 3.43Å; L207-K209 VanDerWaalsContact C-N 3.32Å; L207-K209 PolarHBondContact O-N 2.87Å; K209-K211 VanDerWaalsContact C-N 3.26Å; K209-K211 PolarHBondContact O-N 3.25Å; K209-M212 WeakPolarHBondContact O-CB 3.31Å; K209-M212 PolarHBondContact O-N 3.49Å; K209-D213 PolarHBondContact O-N 2.87Å; K209-L254 HydrophobicContact CB-CD2 4.16Å |
| 210 | N | 90.7 | Very high | 88.1 | Confident | 86 Ų | 86 | 52.9 Ų | 52.9 | 46% | 0.46 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.9 | -36.7 | 178.4 | -68.7 | -7.4 | 0 | 0 | 0 | 112.1 | T206 L207 D213 N214 | T206-N210 PolarHBondContact O-N 2.75Å; L207-N210 PolarHBondContact O-N 3.04Å; N210-D213 PolarHBondContact O-N 3.28Å; N210-N214 PolarHBondContact O-N 3Å; N210-N214 PolarHBondContact O-OD1 3.4Å |
| 211 | K | 93.2 | Very high | 89.2 | Confident | 62 Ų | 62 | 53.8 Ų | 53.8 | 27% | 0.27 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -73 | -29 | 177.1 | -68.6 | -64.5 | -178.4 | -169.7 | 0 | 113 | I173 I177 L207 V208 K209 D213 N214 L215 | I173-K211 WeakPolarHBondContact CG2-O 3.42Å; I177-K211 HydrophobicContact CD1-CB 4.2Å; I177-K211 HydrophobicContact CG1-CB 3.49Å; I177-K211 VanDerWaalsContact CG1-CB 3.49Å; L207-K211 WeakPolarHBondContact O-CG 3.15Å; L207-K211 PolarHBondContact O-N 3.48Å; V208-K211 PolarHBondContact O-N 3.41Å; K209-K211 VanDerWaalsContact C-N 3.26Å; K209-K211 PolarHBondContact O-N 3.25Å; K211-D213 VanDerWaalsContact C-N 3.3Å; K211-N214 PolarHBondContact O-N 2.83Å; K211-L215 PolarHBondContact O-N 3.15Å |
| 212 | M | 93.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 171.6 | -71.9 | -67.4 | -61.5 | 0 | 0 | 111.5 | I177 V208 K209 L215 E216 I247 V250 L281 | I177-M212 HydrophobicContact CD1-SD 3.9Å; I177-M212 HydrophobicContact CG2-SD 4.25Å; V208-M212 HydrophobicContact CG1-CG 4.46Å; V208-M212 WeakPolarHBondContact O-CG 3.49Å; V208-M212 PolarHBondContact O-N 3.25Å; K209-M212 WeakPolarHBondContact O-CB 3.31Å; K209-M212 PolarHBondContact O-N 3.49Å; M212-L215 WeakPolarHBondContact O-CB 3.4Å; M212-L215 PolarHBondContact O-N 2.77Å; M212-L215 HydrophobicContact SD-CD2 4.37Å; M212-E216 PolarHBondContact O-N 3.1Å; M212-I247 HydrophobicContact CE-CB 3.99Å; M212-I247 HydrophobicContact CE-CG1 3.77Å; M212-I247 HydrophobicContact CE-CG2 3.81Å; M212-V250 HydrophobicContact CE-CB 3.94Å; M212-V250 HydrophobicContact CE-CG1 3.62Å; M212-V250 HydrophobicContact SD-CG1 4.13Å; M212-L281 HydrophobicContact CE-CD2 3.83Å; M212-L281 HydrophobicContact SD-CD2 4.19Å |
| 213 | D | 93.9 | Very high | 90.9 | Very high | 65 Ų | 65 | 49.2 Ų | 49.2 | 35% | 0.348 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.9 | -43.4 | 175.2 | -58.5 | -20.9 | 0 | 0 | 0 | 111.3 | K209 N210 K211 L215 E216 E217 R251 | K209-D213 PolarHBondContact O-N 2.87Å; N210-D213 PolarHBondContact O-N 3.28Å; K211-D213 VanDerWaalsContact C-N 3.3Å; D213-L215 VanDerWaalsContact C-N 3.27Å; D213-L215 PolarHBondContact O-N 2.92Å; D213-E216 WeakPolarHBondContact O-CB 3.25Å; D213-E216 PolarHBondContact O-N 3.36Å; D213-E217 PolarHBondContact O-N 3.48Å; D213-R251 IonicContact OD1-CZ 2.67Å; D213-R251 IonicContact OD1-NE 3.45Å; D213-R251 PolarHBondContact OD1-NE 3.44Å; D213-R251 IonicContact OD1-NH2 2.8Å; D213-R251 PolarHBondContact OD1-NH2 3Å |
| 214 | N | 95.2 | Very high | 91.3 | Very high | 66 Ų | 66 | 49.9 Ų | 49.9 | 35% | 0.353 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.6 | -36.1 | 172.6 | -66.1 | 9.1 | 0 | 0 | 0 | 112.4 | I173 N210 K211 A218 | I173-N214 HydrophobicContact CD1-CB 4.17Å; I173-N214 WeakPolarHBondContact CD1-O 3.48Å; I173-N214 HydrophobicContact CG2-CB 4.23Å; N210-N214 PolarHBondContact O-N 3Å; N210-N214 PolarHBondContact O-OD1 3.4Å; K211-N214 PolarHBondContact O-N 2.83Å; N214-A218 VanDerWaalsContact O-CB 3.31Å; N214-A218 WeakPolarHBondContact O-CB 3.34Å; N214-A218 PolarHBondContact O-N 2.86Å |
| 215 | L | 96.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 178.6 | -176.6 | 67.6 | 0 | 0 | 0 | 111.1 | V170 I173 W174 I177 K211 M212 D213 S219 I247 L281 | V170-L215 HydrophobicContact CG1-CD1 3.77Å; I173-L215 HydrophobicContact CB-CD1 4.27Å; I173-L215 HydrophobicContact CG2-CB 3.8Å; I173-L215 HydrophobicContact CG2-CD1 4.13Å; W174-L215 HydrophobicContact CB-CD1 4.36Å; W174-L215 HydrophobicContact CE3-CD2 4.29Å; I177-L215 HydrophobicContact CD1-CB 3.87Å; I177-L215 HydrophobicContact CD1-CD2 3.81Å; I177-L215 HydrophobicContact CD1-CG 4.31Å; K211-L215 PolarHBondContact O-N 3.15Å; M212-L215 WeakPolarHBondContact O-CB 3.4Å; M212-L215 PolarHBondContact O-N 2.77Å; M212-L215 HydrophobicContact SD-CD2 4.37Å; D213-L215 VanDerWaalsContact C-N 3.27Å; D213-L215 PolarHBondContact O-N 2.92Å; L215-S219 WeakPolarHBondContact O-CB 3.37Å; L215-S219 PolarHBondContact O-N 2.77Å; L215-S219 PolarHBondContact O-OG 3.01Å; L215-I247 HydrophobicContact CB-CD1 4.37Å; L215-I247 HydrophobicContact CD2-CD1 3.98Å; L215-I247 HydrophobicContact CD2-CG1 4.14Å; L215-I247 HydrophobicContact CG-CD1 3.94Å; L215-L281 HydrophobicContact CD2-CD2 4.08Å |
| 216 | E | 96.1 | Very high | 92.1 | Very high | 52 Ų | 52 | 59.4 Ų | 59.4 | 24% | 0.243 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -52.8 | 173.6 | -175.7 | 172.9 | -126 | 0 | 0 | 110.4 | M212 D213 A218 S219 E220 L244 I247 R251 | M212-E216 PolarHBondContact O-N 3.1Å; D213-E216 WeakPolarHBondContact O-CB 3.25Å; D213-E216 PolarHBondContact O-N 3.36Å; E216-A218 VanDerWaalsContact C-N 3.34Å; E216-A218 PolarHBondContact O-N 3.08Å; E216-S219 CarbonylContact O-C 3.59Å; E216-S219 WeakPolarHBondContact O-CA 3.44Å; E216-S219 WeakPolarHBondContact O-CB 3.38Å; E216-S219 PolarHBondContact O-N 3.38Å; E216-E220 WeakPolarHBondContact O-CG 3.47Å; E216-E220 PolarHBondContact O-N 3.39Å; E216-L244 HydrophobicContact CG-CD2 3.9Å; E216-I247 HydrophobicContact CB-CD1 4.09Å; E216-I247 HydrophobicContact CB-CG2 4.49Å; E216-R251 IonicContact OE1-CZ 2.64Å; E216-R251 IonicContact OE1-NH1 3.41Å; E216-R251 PolarHBondContact OE1-NH1 3.08Å; E216-R251 IonicContact OE1-NH2 3.45Å; E216-R251 IonicContact OE2-CZ 2.72Å; E216-R251 IonicContact OE2-NH1 2.84Å; E216-R251 PolarHBondContact OE2-NH1 3.48Å; E216-R251 IonicContact OE2-NH2 2.68Å; E216-R251 PolarHBondContact OE2-NH2 3.04Å |
| 217 | E | 95.6 | Very high | 91.8 | Very high | 96 Ų | 96 | 58.4 Ų | 58.4 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.3 | -45.2 | 179.3 | -168.5 | -161.2 | 154.4 | 0 | 0 | 112 | D213 S219 E220 K221 | D213-E217 PolarHBondContact O-N 3.48Å; E217-S219 VanDerWaalsContact C-N 3.32Å; E217-S219 PolarHBondContact O-N 3.12Å; E217-E220 PolarHBondContact O-N 3.44Å; E217-K221 WeakPolarHBondContact O-CG 3.31Å; E217-K221 PolarHBondContact O-N 2.83Å; E217-K221 VanDerWaalsContact OE1-CE 3.25Å; E217-K221 WeakPolarHBondContact OE1-CE 3.36Å; E217-K221 IonicContact OE1-NZ 2.75Å; E217-K221 PolarHBondContact OE1-NZ 3.06Å |
| 218 | A | 95.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.1 | -36.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V170 I173 N214 E216 K221 V222 | V170-A218 HydrophobicContact CG2-CB 3.8Å; V170-A218 WeakPolarHBondContact CG2-O 3.48Å; I173-A218 HydrophobicContact CD1-CB 3.47Å; I173-A218 VanDerWaalsContact CD1-CB 3.47Å; N214-A218 VanDerWaalsContact O-CB 3.31Å; N214-A218 WeakPolarHBondContact O-CB 3.34Å; N214-A218 PolarHBondContact O-N 2.86Å; E216-A218 VanDerWaalsContact C-N 3.34Å; E216-A218 PolarHBondContact O-N 3.08Å; A218-K221 PolarHBondContact O-N 2.9Å; A218-V222 PolarHBondContact O-N 3.3Å |
| 219 | S | 95.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.7 | -45.3 | 176.8 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | L215 E216 E217 K221 V222 S223 V240 I243 | L215-S219 WeakPolarHBondContact O-CB 3.37Å; L215-S219 PolarHBondContact O-N 2.77Å; L215-S219 PolarHBondContact O-OG 3.01Å; E216-S219 CarbonylContact O-C 3.59Å; E216-S219 WeakPolarHBondContact O-CA 3.44Å; E216-S219 WeakPolarHBondContact O-CB 3.38Å; E216-S219 PolarHBondContact O-N 3.38Å; E217-S219 VanDerWaalsContact C-N 3.32Å; E217-S219 PolarHBondContact O-N 3.12Å; S219-K221 VanDerWaalsContact C-N 3.29Å; S219-K221 PolarHBondContact O-N 3.03Å; S219-V222 PolarHBondContact O-N 2.8Å; S219-S223 PolarHBondContact O-N 3.32Å; S219-V240 WeakPolarHBondContact O-CG1 3.24Å; S219-I243 WeakPolarHBondContact OG-CG2 3.34Å |
| 220 | E | 94.7 | Very high | 89.4 | Confident | 88 Ų | 88 | 60.2 Ų | 60.2 | 41% | 0.411 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.1 | -40.3 | 174.2 | -72.1 | -177 | 167.3 | 0 | 0 | 112.2 | E216 E217 V222 S223 N224 L244 | E216-E220 WeakPolarHBondContact O-CG 3.47Å; E216-E220 PolarHBondContact O-N 3.39Å; E217-E220 PolarHBondContact O-N 3.44Å; E220-V222 VanDerWaalsContact C-N 3.28Å; E220-V222 PolarHBondContact O-N 3.21Å; E220-S223 PolarHBondContact O-N 2.98Å; E220-S223 VanDerWaalsContact O-N 3.12Å; E220-N224 VanDerWaalsContact O-CB 3.31Å; E220-N224 WeakPolarHBondContact O-CB 3.49Å; E220-N224 PolarHBondContact O-N 3.22Å; E220-N224 PolarHBondContact O-ND2 3.13Å; E220-L244 HydrophobicContact CG-CD1 4.38Å; E220-L244 HydrophobicContact CG-CD2 3.96Å |
| 221 | K | 93.5 | Very high | 88.2 | Confident | 99 Ų | 99 | 65.1 Ų | 65.1 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.8 | -37.8 | 174.5 | -74.9 | 173.2 | -174.5 | 167.9 | 0 | 112.8 | T166 E217 A218 S219 F225 | T166-K221 HydrophobicContact CG2-CB 3.72Å; E217-K221 WeakPolarHBondContact O-CG 3.31Å; E217-K221 PolarHBondContact O-N 2.83Å; E217-K221 VanDerWaalsContact OE1-CE 3.25Å; E217-K221 WeakPolarHBondContact OE1-CE 3.36Å; E217-K221 IonicContact OE1-NZ 2.75Å; E217-K221 PolarHBondContact OE1-NZ 3.06Å; A218-K221 PolarHBondContact O-N 2.9Å; S219-K221 VanDerWaalsContact C-N 3.29Å; S219-K221 PolarHBondContact O-N 3.03Å; K221-F225 PolarHBondContact O-N 3.19Å |
| 222 | V | 92.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.5 | -42.8 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | Y163 T166 V167 V170 A218 S219 E220 N224 F225 V240 | Y163-V222 HydrophobicContact CE2-CG1 4.04Å; Y163-V222 WeakPolarHBondContact OH-CG1 3.36Å; T166-V222 HydrophobicContact CG2-CB 4.47Å; T166-V222 HydrophobicContact CG2-CG2 3.53Å; V167-V222 HydrophobicContact CG2-CG1 4.04Å; V167-V222 HydrophobicContact CG2-CG2 4.16Å; V170-V222 HydrophobicContact CG2-CG2 3.83Å; A218-V222 PolarHBondContact O-N 3.3Å; S219-V222 PolarHBondContact O-N 2.8Å; E220-V222 VanDerWaalsContact C-N 3.28Å; E220-V222 PolarHBondContact O-N 3.21Å; V222-N224 VanDerWaalsContact C-N 3.31Å; V222-N224 PolarHBondContact O-N 3.44Å; V222-F225 WeakPolarHBondContact O-CB 3.49Å; V222-F225 PolarHBondContact O-N 3.07Å; V222-V240 HydrophobicContact CB-CG2 3.84Å; V222-V240 HydrophobicContact CG1-CG2 3.68Å |
| 223 | S | 90.4 | Very high | 86.2 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 24% | 0.238 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 179.4 | -172.9 | 0 | 0 | 0 | 0 | 112.5 | S219 E220 | S219-S223 PolarHBondContact O-N 3.32Å; E220-S223 PolarHBondContact O-N 2.98Å; E220-S223 VanDerWaalsContact O-N 3.12Å |
| 224 | N | 90.5 | Very high | 85.7 | Confident | 111 Ų | 111 | 65.1 Ų | 65.1 | 59% | 0.594 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 7.8 | -175.9 | -65 | -26.4 | 0 | 0 | 0 | 113 | E220 V222 K226 | E220-N224 VanDerWaalsContact O-CB 3.31Å; E220-N224 WeakPolarHBondContact O-CB 3.49Å; E220-N224 PolarHBondContact O-N 3.22Å; E220-N224 PolarHBondContact O-ND2 3.13Å; V222-N224 VanDerWaalsContact C-N 3.31Å; V222-N224 PolarHBondContact O-N 3.44Å; N224-K226 PolarHBondContact O-N 3.19Å; N224-K226 VanDerWaalsContact O-N 3.13Å |
| 225 | F | 89.6 | Confident | 85.2 | Confident | 49 Ų | 49 | 63.6 Ų | 63.6 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | trans | -66.6 | 113.9 | -178.7 | -163.4 | -79.6 | 0 | 0 | 0 | 110.4 | L159 K162 Y163 K221 V222 | L159-F225 HydrophobicContact CD2-CE1 4.1Å; L159-F225 HydrophobicContact CD2-CZ 4.36Å; K162-F225 HydrophobicContact CB-CE2 3.93Å; K162-F225 HydrophobicContact CB-CZ 3.74Å; Y163-F225 HydrophobicContact CD2-CB 3.88Å; Y163-F225 AromaticContact CD2-CD1 3.64Å; Y163-F225 HydrophobicContact CD2-CD1 3.64Å; Y163-F225 HydrophobicContact CD2-CD2 4.12Å; Y163-F225 HydrophobicContact CD2-CE1 4.17Å; Y163-F225 AromaticContact CD2-CG 3.6Å; Y163-F225 HydrophobicContact CD2-CG 3.6Å; Y163-F225 HydrophobicContact CE2-CB 4.09Å; Y163-F225 HydrophobicContact CE2-CG 4.32Å; Y163-F225 HydrophobicContact CG-CD1 4.49Å; K221-F225 PolarHBondContact O-N 3.19Å; V222-F225 WeakPolarHBondContact O-CB 3.49Å; V222-F225 PolarHBondContact O-N 3.07Å | ||
| 226 | K | 85.8 | Confident | 85 | Confident | 187 Ų | 187 | 63.7 Ų | 63.7 | 81% | 0.813 | 34% | 0.342 | S | S | * | . | trans | -92.5 | 145 | -177.2 | -65.5 | -173.2 | 180 | -179.1 | 0 | 112.1 | N224 | N224-K226 PolarHBondContact O-N 3.19Å; N224-K226 VanDerWaalsContact O-N 3.13Å | ||
| 227 | G | 79.2 | Confident | 84.6 | Confident | 51 Ų | 51 | 62.8 Ų | 62.8 | 53% | 0.526 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 88.2 | 2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L159 | L159-G227 WeakPolarHBondContact CD1-O 3.31Š|
| 228 | Y | 79.1 | Confident | 84.4 | Confident | 32 Ų | 32 | 62.8 Ų | 62.8 | 13% | 0.125 | 34% | 0.344 | C | S | . | . | trans | -112.3 | 99 | 173.5 | -175.8 | -104.1 | 0 | 0 | 0 | 111.3 | L159 E160 Y163 I291 | L159-Y228 HydrophobicContact CB-CD2 4.45Å; E160-Y228 HydrophobicContact CB-CE2 4.41Å; E160-Y228 HydrophobicContact CG-CD2 4.16Å; E160-Y228 HydrophobicContact CG-CE2 3.34Å; Y163-Y228 HydrophobicContact CD1-CD1 4.29Å; Y163-Y228 HydrophobicContact CD1-CE1 4.36Å; Y163-Y228 AromaticContact CD2-CD1 3.96Å; Y163-Y228 HydrophobicContact CD2-CD1 3.96Å; Y163-Y228 HydrophobicContact CE2-CD1 4.35Å; Y163-Y228 AromaticContact CG-CD1 3.92Å; Y163-Y228 HydrophobicContact CG-CD1 3.92Å; Y163-Y228 HydrophobicContact CG-CE1 4.41Å; Y163-Y228 HydrophobicContact CG-CG 4.47Å; Y228-I291 HydrophobicContact CD1-CD1 4.25Å; Y228-I291 HydrophobicContact CE1-CD1 3.29Å; Y228-I291 WeakPolarHBondContact OH-CD1 3.24Å | ||
| 229 | D | 69.5 | Low | 84.3 | Confident | 160 Ų | 160 | 63.5 Ų | 63.5 | 86% | 0.856 | 35% | 0.348 | S | S | * | . | trans | -95.2 | 13.7 | -176.5 | -66 | -22.8 | 0 | 0 | 0 | 113.8 | M231 | D229-M231 PolarHBondContact O-N 3.46Š| ||
| 230 | G | 67.9 | Low | 84.3 | Confident | 23 Ų | 23 | 63.5 Ų | 63.5 | 24% | 0.237 | 35% | 0.348 | C | S | . | . | trans | -57.3 | 141.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K232 G233 G234 | G230-K232 PolarHBondContact O-N 3.1Å; G230-G233 VanDerWaalsContact O-CA 3.3Å; G230-G233 WeakPolarHBondContact O-CA 3.43Å; G230-G233 PolarHBondContact O-N 3.31Å; G230-G234 PolarHBondContact O-N 3.03Å | ||
| 231 | M | 65.8 | Low | 84.2 | Confident | 188 Ų | 188 | 64.5 Ų | 64.5 | 93% | 0.926 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -48.8 | -34.5 | 177.2 | -73 | -175.9 | 177.4 | 0 | 0 | 113.1 | D229 A235 | D229-M231 PolarHBondContact O-N 3.46Å; M231-A235 PolarHBondContact O-N 3.34Å |
| 232 | K | 71.9 | Confident | 84.3 | Confident | 86 Ų | 86 | 64 Ų | 64 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.3 | -32 | 176.3 | -67.6 | -175.7 | 178.2 | -178.5 | 0 | 113 | G230 A235 N236 I291 | G230-K232 PolarHBondContact O-N 3.1Å; K232-A235 PolarHBondContact O-N 3.47Å; K232-N236 PolarHBondContact O-N 3.39Å; K232-I291 HydrophobicContact CB-CD1 4.29Å; K232-I291 HydrophobicContact CB-CG1 4.35Å |
| 233 | G | 73.3 | Confident | 84.4 | Confident | 3 Ų | 3 | 64 Ų | 64 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.7 | -51.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y163 G230 A235 N236 T237 | Y163-G233 PolarHBondContact OH-O 2.91Å; G230-G233 VanDerWaalsContact O-CA 3.3Å; G230-G233 WeakPolarHBondContact O-CA 3.43Å; G230-G233 PolarHBondContact O-N 3.31Å; G233-A235 PolarHBondContact O-N 3.23Å; G233-N236 PolarHBondContact O-N 3.43Å; G233-T237 PolarHBondContact O-N 3.45Å; G233-T237 PolarHBondContact O-OG1 3.04Å |
| 234 | G | 82 | Confident | 84.7 | Confident | 40 Ų | 40 | 63.9 Ų | 63.9 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G230 T237 N238 | G230-G234 PolarHBondContact O-N 3.03Å; G234-T237 PolarHBondContact O-N 2.84Å; G234-N238 PolarHBondContact O-N 2.9Å; G234-N238 VanDerWaalsContact O-N 3.14Å |
| 235 | A | 85.6 | Confident | 84.8 | Confident | 34 Ų | 34 | 64.1 Ų | 64.1 | 28% | 0.281 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M231 K232 G233 N238 V239 | M231-A235 PolarHBondContact O-N 3.34Å; K232-A235 PolarHBondContact O-N 3.47Å; G233-A235 PolarHBondContact O-N 3.23Å; A235-N238 PolarHBondContact O-N 2.81Å; A235-V239 WeakPolarHBondContact O-CG2 3.4Å; A235-V239 PolarHBondContact O-N 3.2Å; A235-V239 VanDerWaalsContact O-N 3.09Å |
| 236 | N | 90.5 | Very high | 85.1 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.2 | -37.5 | 177.6 | -83.5 | -4.6 | 0 | 0 | 0 | 111.8 | Y163 K232 G233 N238 V239 V240 L288 R289 | Y163-N236 HydrophobicContact CE1-CB 4.4Å; Y163-N236 WeakPolarHBondContact OH-CB 3.03Å; K232-N236 PolarHBondContact O-N 3.39Å; G233-N236 PolarHBondContact O-N 3.43Å; N236-N238 VanDerWaalsContact C-N 3.29Å; N236-N238 PolarHBondContact O-N 2.98Å; N236-V239 CarbonylContact O-C 3.59Å; N236-V239 PolarHBondContact O-N 3.43Å; N236-V239 VanDerWaalsContact O-N 3.14Å; N236-V240 WeakPolarHBondContact O-CB 3.46Å; N236-V240 VanDerWaalsContact O-CG2 3.25Å; N236-V240 WeakPolarHBondContact O-CG2 3.46Å; N236-V240 PolarHBondContact O-N 3.22Å; N236-L288 HydrophobicContact CB-CD2 4.42Å; N236-R289 PolarHBondContact ND2-O 3.22Å; N236-R289 PolarHBondContact OD1-N 3.44Å |
| 237 | T | 89.3 | Confident | 85.5 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 20% | 0.202 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.4 | -41.7 | 174.4 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | G233 G234 V240 K241 | G233-T237 PolarHBondContact O-N 3.45Å; G233-T237 PolarHBondContact O-OG1 3.04Å; G234-T237 PolarHBondContact O-N 2.84Å; T237-V240 PolarHBondContact O-N 3.26Å; T237-K241 WeakPolarHBondContact O-CG 3.38Å; T237-K241 PolarHBondContact O-N 3.32Å |
| 238 | N | 90.7 | Very high | 86.2 | Confident | 96 Ų | 96 | 56 Ų | 56 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 174.9 | -73.3 | -20 | 0 | 0 | 0 | 112.5 | G234 A235 N236 V240 K241 Q242 | G234-N238 PolarHBondContact O-N 2.9Å; G234-N238 VanDerWaalsContact O-N 3.14Å; A235-N238 PolarHBondContact O-N 2.81Å; N236-N238 VanDerWaalsContact C-N 3.29Å; N236-N238 PolarHBondContact O-N 2.98Å; N238-V240 VanDerWaalsContact C-N 3.33Å; N238-K241 PolarHBondContact O-N 3.46Å; N238-Q242 PolarHBondContact O-N 2.82Å |
| 239 | V | 93.8 | Very high | 86.9 | Confident | 18 Ų | 18 | 58.4 Ų | 58.4 | 11% | 0.109 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 174.9 | 172.5 | 0 | 0 | 0 | 0 | 111 | A235 N236 K241 Q242 I243 A284 K287 L288 | A235-V239 WeakPolarHBondContact O-CG2 3.4Å; A235-V239 PolarHBondContact O-N 3.2Å; A235-V239 VanDerWaalsContact O-N 3.09Å; N236-V239 CarbonylContact O-C 3.59Å; N236-V239 PolarHBondContact O-N 3.43Å; N236-V239 VanDerWaalsContact O-N 3.14Å; V239-K241 PolarHBondContact O-N 3.46Å; V239-Q242 WeakPolarHBondContact O-CA 3.46Å; V239-Q242 WeakPolarHBondContact O-CB 3.47Å; V239-Q242 PolarHBondContact O-N 3.41Å; V239-Q242 VanDerWaalsContact O-N 3.1Å; V239-I243 HydrophobicContact CG1-CD1 4.02Å; V239-I243 HydrophobicContact CG1-CG1 4.46Å; V239-I243 WeakPolarHBondContact O-CG1 3.5Å; V239-I243 PolarHBondContact O-N 3.01Å; V239-A284 WeakPolarHBondContact CG1-O 3.37Å; V239-K287 HydrophobicContact CG1-CB 3.98Å; V239-K287 HydrophobicContact CG2-CB 4.03Å; V239-L288 HydrophobicContact CB-CD2 4.15Å; V239-L288 HydrophobicContact CG1-CD2 3.7Å; V239-L288 HydrophobicContact CG1-CG 3.96Å |
| 240 | V | 93.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 177.8 | 163.7 | 0 | 0 | 0 | 0 | 111.8 | S219 V222 N236 T237 N238 Q242 I243 L244 L288 | S219-V240 WeakPolarHBondContact O-CG1 3.24Å; V222-V240 HydrophobicContact CB-CG2 3.84Å; V222-V240 HydrophobicContact CG1-CG2 3.68Å; N236-V240 WeakPolarHBondContact O-CB 3.46Å; N236-V240 VanDerWaalsContact O-CG2 3.25Å; N236-V240 WeakPolarHBondContact O-CG2 3.46Å; N236-V240 PolarHBondContact O-N 3.22Å; T237-V240 PolarHBondContact O-N 3.26Å; N238-V240 VanDerWaalsContact C-N 3.33Å; V240-Q242 VanDerWaalsContact C-N 3.27Å; V240-Q242 PolarHBondContact O-N 3.34Å; V240-I243 WeakPolarHBondContact O-CA 3.47Å; V240-I243 WeakPolarHBondContact O-CB 3.41Å; V240-I243 PolarHBondContact O-N 3.21Å; V240-I243 VanDerWaalsContact O-N 3.08Å; V240-L244 HydrophobicContact CG1-CD1 4.16Å; V240-L244 HydrophobicContact CG1-CG 4.44Å; V240-L244 WeakPolarHBondContact O-CG 3.38Å; V240-L244 PolarHBondContact O-N 3.4Å; V240-L288 HydrophobicContact CG2-CD2 3.86Å |
| 241 | K | 93.7 | Very high | 89.2 | Confident | 109 Ų | 109 | 51.9 Ų | 51.9 | 47% | 0.474 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.2 | -39.3 | 172 | -71.5 | 175.9 | 180 | 179.9 | 0 | 112 | T237 N238 V239 L244 N245 | T237-K241 WeakPolarHBondContact O-CG 3.38Å; T237-K241 PolarHBondContact O-N 3.32Å; N238-K241 PolarHBondContact O-N 3.46Å; V239-K241 PolarHBondContact O-N 3.46Å; K241-L244 PolarHBondContact O-N 3.41Å; K241-N245 PolarHBondContact O-N 3.27Å; K241-N245 VanDerWaalsContact O-N 3.08Å |
| 242 | Q | 94.7 | Very high | 90.5 | Very high | 90 Ų | 90 | 47 Ų | 47 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 173.8 | -63.9 | 175.4 | 20.1 | 0 | 0 | 112.1 | N238 V239 V240 K246 | N238-Q242 PolarHBondContact O-N 2.82Å; V239-Q242 WeakPolarHBondContact O-CA 3.46Å; V239-Q242 WeakPolarHBondContact O-CB 3.47Å; V239-Q242 PolarHBondContact O-N 3.41Å; V239-Q242 VanDerWaalsContact O-N 3.1Å; V240-Q242 VanDerWaalsContact C-N 3.27Å; V240-Q242 PolarHBondContact O-N 3.34Å; Q242-K246 WeakPolarHBondContact O-CB 3.31Å; Q242-K246 VanDerWaalsContact O-CG 3.31Å; Q242-K246 WeakPolarHBondContact O-CG 3.3Å; Q242-K246 PolarHBondContact O-N 3.38Å |
| 243 | I | 96 | Very high | 91.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.1 | -50.2 | 174.9 | -70.4 | 168 | 0 | 0 | 0 | 110 | S219 V239 V240 N245 K246 I247 L281 A284 V285 L288 | S219-I243 WeakPolarHBondContact OG-CG2 3.34Å; V239-I243 HydrophobicContact CG1-CD1 4.02Å; V239-I243 HydrophobicContact CG1-CG1 4.46Å; V239-I243 WeakPolarHBondContact O-CG1 3.5Å; V239-I243 PolarHBondContact O-N 3.01Å; V240-I243 WeakPolarHBondContact O-CA 3.47Å; V240-I243 WeakPolarHBondContact O-CB 3.41Å; V240-I243 PolarHBondContact O-N 3.21Å; V240-I243 VanDerWaalsContact O-N 3.08Å; I243-N245 PolarHBondContact O-N 2.87Å; I243-K246 PolarHBondContact O-N 2.93Å; I243-K246 VanDerWaalsContact O-N 3.11Å; I243-I247 HydrophobicContact CG2-CD1 3.93Å; I243-I247 HydrophobicContact CG2-CG1 4.38Å; I243-I247 WeakPolarHBondContact O-CG1 3.43Å; I243-I247 PolarHBondContact O-N 3.45Å; I243-L281 HydrophobicContact CB-CD1 4.43Å; I243-L281 HydrophobicContact CG2-CD1 3.98Å; I243-A284 HydrophobicContact CG1-CB 3.75Å; I243-V285 HydrophobicContact CD1-CG2 4.03Å; I243-V285 HydrophobicContact CG1-CG2 4.23Å; I243-L288 HydrophobicContact CD1-CD1 3.75Å; I243-L288 HydrophobicContact CD1-CD2 4.13Å; I243-L288 HydrophobicContact CD1-CG 3.9Å |
| 244 | L | 95.4 | Very high | 92.3 | Very high | 31 Ų | 31 | 43 Ų | 43 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.3 | -46.5 | 179 | -69.2 | 170.7 | 0 | 0 | 0 | 111.7 | E216 E220 V240 K241 K246 I247 | E216-L244 HydrophobicContact CG-CD2 3.9Å; E220-L244 HydrophobicContact CG-CD1 4.38Å; E220-L244 HydrophobicContact CG-CD2 3.96Å; V240-L244 HydrophobicContact CG1-CD1 4.16Å; V240-L244 HydrophobicContact CG1-CG 4.44Å; V240-L244 WeakPolarHBondContact O-CG 3.38Å; V240-L244 PolarHBondContact O-N 3.4Å; K241-L244 PolarHBondContact O-N 3.41Å; L244-K246 VanDerWaalsContact C-N 3.35Å; L244-K246 PolarHBondContact O-N 3.31Å; L244-I247 WeakPolarHBondContact O-CB 3.48Å; L244-I247 PolarHBondContact O-N 3.43Å |
| 245 | N | 94.4 | Very high | 92.7 | Very high | 115 Ų | 115 | 44.7 Ų | 44.7 | 62% | 0.615 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -61.2 | -42.7 | 175.7 | -70.5 | -9.7 | 0 | 0 | 0 | 112.1 | K241 I243 I247 V248 | K241-N245 PolarHBondContact O-N 3.27Å; K241-N245 VanDerWaalsContact O-N 3.08Å; I243-N245 PolarHBondContact O-N 2.87Å; N245-I247 VanDerWaalsContact C-N 3.34Å; N245-I247 PolarHBondContact O-N 3.11Å; N245-V248 WeakPolarHBondContact O-CB 3.19Å; N245-V248 PolarHBondContact O-N 2.67Å |
| 246 | K | 95.1 | Very high | 92.9 | Very high | 51 Ų | 51 | 46.6 Ų | 46.6 | 22% | 0.222 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.1 | -27.7 | 179.3 | -74.2 | -176.2 | -176.7 | -57.1 | 0 | 113.5 | Q242 I243 L244 V248 D249 V250 M280 L281 A284 | Q242-K246 WeakPolarHBondContact O-CB 3.31Å; Q242-K246 VanDerWaalsContact O-CG 3.31Å; Q242-K246 WeakPolarHBondContact O-CG 3.3Å; Q242-K246 PolarHBondContact O-N 3.38Å; I243-K246 PolarHBondContact O-N 2.93Å; I243-K246 VanDerWaalsContact O-N 3.11Å; L244-K246 VanDerWaalsContact C-N 3.35Å; L244-K246 PolarHBondContact O-N 3.31Å; K246-V248 VanDerWaalsContact C-N 3.26Å; K246-V248 PolarHBondContact O-N 3.34Å; K246-D249 PolarHBondContact O-N 3.45Å; K246-V250 WeakPolarHBondContact O-CB 3.4Å; K246-V250 VanDerWaalsContact O-CG2 3.3Å; K246-V250 WeakPolarHBondContact O-CG2 3.48Å; K246-V250 PolarHBondContact O-N 3.04Å; K246-M280 HydrophobicContact CD-CB 4.26Å; K246-M280 WeakPolarHBondContact CD-O 3.41Å; K246-L281 HydrophobicContact CB-CB 4.4Å; K246-L281 HydrophobicContact CB-CD1 3.92Å; K246-A284 HydrophobicContact CD-CB 3.91Å |
| 247 | I | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -40.9 | 174.1 | -76.2 | 169.4 | 0 | 0 | 0 | 110.3 | M212 L215 E216 I243 L244 N245 V250 R251 L281 | M212-I247 HydrophobicContact CE-CB 3.99Å; M212-I247 HydrophobicContact CE-CG1 3.77Å; M212-I247 HydrophobicContact CE-CG2 3.81Å; L215-I247 HydrophobicContact CB-CD1 4.37Å; L215-I247 HydrophobicContact CD2-CD1 3.98Å; L215-I247 HydrophobicContact CD2-CG1 4.14Å; L215-I247 HydrophobicContact CG-CD1 3.94Å; E216-I247 HydrophobicContact CB-CD1 4.09Å; E216-I247 HydrophobicContact CB-CG2 4.49Å; I243-I247 HydrophobicContact CG2-CD1 3.93Å; I243-I247 HydrophobicContact CG2-CG1 4.38Å; I243-I247 WeakPolarHBondContact O-CG1 3.43Å; I243-I247 PolarHBondContact O-N 3.45Å; L244-I247 WeakPolarHBondContact O-CB 3.48Å; L244-I247 PolarHBondContact O-N 3.43Å; N245-I247 VanDerWaalsContact C-N 3.34Å; N245-I247 PolarHBondContact O-N 3.11Å; I247-V250 PolarHBondContact O-N 2.94Å; I247-R251 HydrophobicContact CG2-CG 4.46Å; I247-R251 WeakPolarHBondContact O-CB 3.37Å; I247-R251 WeakPolarHBondContact O-CG 3.47Å; I247-R251 PolarHBondContact O-N 3.2Å; I247-L281 HydrophobicContact CG1-CD1 4.34Å; I247-L281 HydrophobicContact CG1-CD2 4.27Å |
| 248 | V | 93 | Very high | 92.6 | Very high | 67 Ų | 67 | 47.7 Ų | 47.7 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.7 | -49.1 | 176.8 | -179.2 | 0 | 0 | 0 | 0 | 111 | N245 K246 V250 R251 N252 | N245-V248 WeakPolarHBondContact O-CB 3.19Å; N245-V248 PolarHBondContact O-N 2.67Å; K246-V248 VanDerWaalsContact C-N 3.26Å; K246-V248 PolarHBondContact O-N 3.34Å; V248-V250 VanDerWaalsContact C-N 3.33Å; V248-V250 PolarHBondContact O-N 3.23Å; V248-R251 PolarHBondContact O-N 2.92Å; V248-N252 VanDerWaalsContact O-CG 3.31Å; V248-N252 PolarHBondContact O-N 2.82Å; V248-N252 PolarHBondContact O-ND2 3.15Å |
| 249 | D | 93.5 | Very high | 92.4 | Very high | 81 Ų | 81 | 47.3 Ų | 47.3 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 179.1 | -66.2 | -27.5 | 0 | 0 | 0 | 112.5 | K246 N252 S253 R277 | K246-D249 PolarHBondContact O-N 3.45Å; D249-N252 PolarHBondContact O-N 3.47Å; D249-S253 PolarHBondContact O-N 3.03Å; D249-S253 VanDerWaalsContact O-N 3.09Å; D249-S253 PolarHBondContact O-OG 3.32Å; D249-R277 VanDerWaalsContact O-CD 3.24Å; D249-R277 WeakPolarHBondContact O-CD 3.36Å; D249-R277 PolarHBondContact O-NH1 2.89Å |
| 250 | V | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 177.9 | 169 | 0 | 0 | 0 | 0 | 110.9 | M212 K246 I247 V248 N252 S253 L254 F274 R277 M278 L281 | M212-V250 HydrophobicContact CE-CB 3.94Å; M212-V250 HydrophobicContact CE-CG1 3.62Å; M212-V250 HydrophobicContact SD-CG1 4.13Å; K246-V250 WeakPolarHBondContact O-CB 3.4Å; K246-V250 VanDerWaalsContact O-CG2 3.3Å; K246-V250 WeakPolarHBondContact O-CG2 3.48Å; K246-V250 PolarHBondContact O-N 3.04Å; I247-V250 PolarHBondContact O-N 2.94Å; V248-V250 VanDerWaalsContact C-N 3.33Å; V248-V250 PolarHBondContact O-N 3.23Å; V250-N252 VanDerWaalsContact C-N 3.33Å; V250-N252 PolarHBondContact O-N 2.92Å; V250-S253 WeakPolarHBondContact CA-OG 3.43Å; V250-S253 PolarHBondContact O-N 3.18Å; V250-S253 PolarHBondContact O-OG 3Å; V250-L254 WeakPolarHBondContact O-CB 3.31Å; V250-L254 PolarHBondContact O-N 3.32Å; V250-F274 HydrophobicContact CG1-CD2 4.31Å; V250-F274 HydrophobicContact CG1-CE2 3.71Å; V250-R277 HydrophobicContact CG2-CB 3.87Å; V250-M278 HydrophobicContact CG1-CG 4.13Å; V250-M278 HydrophobicContact CG1-SD 3.47Å; V250-M278 WeakPolarHBondContact CG1-SD 3.43Å; V250-M278 HydrophobicContact CG2-SD 4.22Å; V250-L281 HydrophobicContact CG2-CB 4.12Å; V250-L281 HydrophobicContact CG2-CD2 3.97Å |
| 251 | R | 92.6 | Very high | 91.2 | Very high | 46 Ų | 46 | 49 Ų | 49 | 17% | 0.174 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 176 | -79 | 179.9 | 179.6 | 145.8 | -0.6 | 111.7 | D213 E216 I247 V248 S253 L254 N255 | D213-R251 IonicContact OD1-CZ 2.67Å; D213-R251 IonicContact OD1-NE 3.45Å; D213-R251 PolarHBondContact OD1-NE 3.44Å; D213-R251 IonicContact OD1-NH2 2.8Å; D213-R251 PolarHBondContact OD1-NH2 3Å; E216-R251 IonicContact OE1-CZ 2.64Å; E216-R251 IonicContact OE1-NH1 3.41Å; E216-R251 PolarHBondContact OE1-NH1 3.08Å; E216-R251 IonicContact OE1-NH2 3.45Å; E216-R251 IonicContact OE2-CZ 2.72Å; E216-R251 IonicContact OE2-NH1 2.84Å; E216-R251 PolarHBondContact OE2-NH1 3.48Å; E216-R251 IonicContact OE2-NH2 2.68Å; E216-R251 PolarHBondContact OE2-NH2 3.04Å; I247-R251 HydrophobicContact CG2-CG 4.46Å; I247-R251 WeakPolarHBondContact O-CB 3.37Å; I247-R251 WeakPolarHBondContact O-CG 3.47Å; I247-R251 PolarHBondContact O-N 3.2Å; V248-R251 PolarHBondContact O-N 2.92Å; R251-S253 VanDerWaalsContact C-N 3.34Å; R251-S253 PolarHBondContact O-N 3.33Å; R251-L254 WeakPolarHBondContact O-CB 3.49Å; R251-L254 PolarHBondContact O-N 3.32Å; R251-L254 VanDerWaalsContact O-N 3.14Å; R251-N255 PolarHBondContact O-N 3.45Å; R251-N255 PolarHBondContact O-ND2 3.33Å |
| 252 | N | 92.6 | Very high | 90.2 | Very high | 85 Ų | 85 | 48.9 Ų | 48.9 | 46% | 0.455 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 177.8 | -70.8 | -19.3 | 0 | 0 | 0 | 111.9 | V248 D249 V250 T256 | V248-N252 VanDerWaalsContact O-CG 3.31Å; V248-N252 PolarHBondContact O-N 2.82Å; V248-N252 PolarHBondContact O-ND2 3.15Å; D249-N252 PolarHBondContact O-N 3.47Å; V250-N252 VanDerWaalsContact C-N 3.33Å; V250-N252 PolarHBondContact O-N 2.92Å; N252-T256 PolarHBondContact O-N 3.38Å; N252-T256 VanDerWaalsContact O-N 3.08Å; N252-T256 PolarHBondContact O-OG1 2.94Å |
| 253 | S | 92.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.2 | -36.2 | 173.3 | 42.6 | 0 | 0 | 0 | 0 | 113.1 | D249 V250 R251 T256 F257 R277 | D249-S253 PolarHBondContact O-N 3.03Å; D249-S253 VanDerWaalsContact O-N 3.09Å; D249-S253 PolarHBondContact O-OG 3.32Å; V250-S253 WeakPolarHBondContact CA-OG 3.43Å; V250-S253 PolarHBondContact O-N 3.18Å; V250-S253 PolarHBondContact O-OG 3Å; R251-S253 VanDerWaalsContact C-N 3.34Å; R251-S253 PolarHBondContact O-N 3.33Å; S253-T256 WeakPolarHBondContact O-CB 3.43Å; S253-T256 PolarHBondContact O-N 2.87Å; S253-F257 WeakPolarHBondContact O-CB 3.39Å; S253-F257 PolarHBondContact O-N 3.12Å; S253-R277 VanDerWaalsContact N-NH1 3.13Å; S253-R277 WeakPolarHBondContact OG-CD 3.42Å |
| 254 | L | 90.9 | Very high | 88.6 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 178.6 | -173.8 | 61.7 | 0 | 0 | 0 | 111 | V205 V208 K209 V250 R251 T256 F257 L258 F274 | V205-L254 HydrophobicContact CG1-CD1 3.71Å; V205-L254 HydrophobicContact CG1-CD2 4.37Å; V205-L254 HydrophobicContact CG1-CG 4.08Å; V208-L254 HydrophobicContact CG1-CD2 4.1Å; K209-L254 HydrophobicContact CB-CD2 4.16Å; V250-L254 WeakPolarHBondContact O-CB 3.31Å; V250-L254 PolarHBondContact O-N 3.32Å; R251-L254 WeakPolarHBondContact O-CB 3.49Å; R251-L254 PolarHBondContact O-N 3.32Å; R251-L254 VanDerWaalsContact O-N 3.14Å; L254-T256 VanDerWaalsContact C-N 3.33Å; L254-F257 HydrophobicContact CD1-CD1 4.28Å; L254-F257 WeakPolarHBondContact O-CB 3.4Å; L254-F257 PolarHBondContact O-N 2.96Å; L254-L258 HydrophobicContact CG-CD1 4.39Å; L254-L258 WeakPolarHBondContact O-CB 3.46Å; L254-L258 WeakPolarHBondContact O-CG 3.4Å; L254-L258 PolarHBondContact O-N 3.42Å; L254-F274 HydrophobicContact CB-CD2 3.96Å; L254-F274 HydrophobicContact CB-CE2 3.87Å; L254-F274 HydrophobicContact CD1-CD2 4.11Å; L254-F274 HydrophobicContact CD1-CE1 4.38Å; L254-F274 HydrophobicContact CD1-CE2 3.74Å; L254-F274 HydrophobicContact CD1-CZ 3.9Å; L254-F274 HydrophobicContact CG-CE2 4.28Å |
| 255 | N | 89.6 | Confident | 88 | Confident | 75 Ų | 75 | 58.5 Ų | 58.5 | 40% | 0.401 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 174.9 | -70.1 | -23.6 | 0 | 0 | 0 | 111.8 | R251 L258 S259 | R251-N255 PolarHBondContact O-N 3.45Å; R251-N255 PolarHBondContact O-ND2 3.33Å; N255-L258 WeakPolarHBondContact O-CB 3.49Å; N255-L258 PolarHBondContact O-N 2.99Å; N255-S259 PolarHBondContact O-N 3.37Å |
| 256 | T | 90.1 | Very high | 87.6 | Confident | 73 Ų | 73 | 58 Ų | 58 | 45% | 0.448 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 173.5 | -53.6 | 0 | 0 | 0 | 0 | 110.6 | N252 S253 L254 L258 S259 T260 A270 | N252-T256 PolarHBondContact O-N 3.38Å; N252-T256 VanDerWaalsContact O-N 3.08Å; N252-T256 PolarHBondContact O-OG1 2.94Å; S253-T256 WeakPolarHBondContact O-CB 3.43Å; S253-T256 PolarHBondContact O-N 2.87Å; L254-T256 VanDerWaalsContact C-N 3.33Å; T256-L258 VanDerWaalsContact C-N 3.3Å; T256-L258 PolarHBondContact O-N 3.09Å; T256-S259 PolarHBondContact O-N 3.41Å; T256-S259 VanDerWaalsContact O-N 3.14Å; T256-S259 PolarHBondContact O-OG 3.49Å; T256-T260 WeakPolarHBondContact O-CG2 3.4Å; T256-T260 PolarHBondContact O-N 2.99Å; T256-T260 PolarHBondContact O-OG1 3.41Å; T256-A270 HydrophobicContact CG2-CB 4.39Å |
| 257 | F | 87.7 | Confident | 87 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.9 | -45.8 | 174.9 | 173.3 | -125.2 | 0 | 0 | 0 | 111.5 | V184 L188 V205 S253 L254 S259 T260 F261 S267 A270 F271 | V184-F257 HydrophobicContact CG1-CE1 4.31Å; L188-F257 HydrophobicContact CD1-CE2 4.21Å; L188-F257 HydrophobicContact CD1-CZ 3.85Å; V205-F257 HydrophobicContact CG2-CD1 4.34Å; V205-F257 HydrophobicContact CG2-CE1 3.85Å; S253-F257 WeakPolarHBondContact O-CB 3.39Å; S253-F257 PolarHBondContact O-N 3.12Å; L254-F257 HydrophobicContact CD1-CD1 4.28Å; L254-F257 WeakPolarHBondContact O-CB 3.4Å; L254-F257 PolarHBondContact O-N 2.96Å; F257-S259 PolarHBondContact O-N 3.13Å; F257-T260 PolarHBondContact O-N 2.82Å; F257-T260 VanDerWaalsContact O-N 3.14Å; F257-T260 PolarHBondContact O-OG1 2.91Å; F257-F261 HydrophobicContact CD1-CE2 4.17Å; F257-F261 AromaticContact CD1-CZ 3.92Å; F257-F261 HydrophobicContact CD1-CZ 3.92Å; F257-F261 AromaticContact CE1-CE1 3.84Å; F257-F261 HydrophobicContact CE1-CE1 3.84Å; F257-F261 AromaticContact CE1-CE2 3.93Å; F257-F261 HydrophobicContact CE1-CE2 3.93Å; F257-F261 AromaticContact CE1-CZ 3.23Å; F257-F261 HydrophobicContact CE1-CZ 3.23Å; F257-F261 HydrophobicContact CE2-CD1 4.44Å; F257-F261 AromaticContact CE2-CE1 3.86Å; F257-F261 HydrophobicContact CE2-CE1 3.86Å; F257-F261 HydrophobicContact CE2-CZ 4.03Å; F257-F261 HydrophobicContact CZ-CD1 4.32Å; F257-F261 AromaticContact CZ-CE1 3.34Å; F257-F261 HydrophobicContact CZ-CE1 3.34Å; F257-F261 HydrophobicContact CZ-CE2 4.22Å; F257-F261 AromaticContact CZ-CZ 3.28Å; F257-F261 HydrophobicContact CZ-CZ 3.28Å; F257-F261 PolarHBondContact O-N 3.38Å; F257-S267 WeakPolarHBondContact CD2-O 3.24Å; F257-S267 WeakPolarHBondContact CE2-O 3.39Å; F257-A270 HydrophobicContact CB-CB 4.13Å; F257-A270 HydrophobicContact CD2-CB 4.32Å; F257-F271 HydrophobicContact CD1-CD2 4.36Å; F257-F271 HydrophobicContact CD2-CB 3.88Å; F257-F271 HydrophobicContact CD2-CD2 4.42Å; F257-F271 AromaticContact CE1-CD2 3.96Å; F257-F271 HydrophobicContact CE1-CD2 3.96Å; F257-F271 HydrophobicContact CE2-CB 3.76Å; F257-F271 HydrophobicContact CE2-CD2 4.06Å; F257-F271 HydrophobicContact CE2-CG 4.32Å; F257-F271 HydrophobicContact CZ-CB 4.37Å; F257-F271 AromaticContact CZ-CD2 3.81Å; F257-F271 HydrophobicContact CZ-CD2 3.81Å; F257-F271 HydrophobicContact CZ-CG 4.46Å |
| 258 | L | 85.2 | Confident | 86.4 | Confident | 56 Ų | 56 | 58.8 Ų | 58.8 | 29% | 0.293 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.4 | -45.9 | 174.9 | -82.9 | 160.9 | 0 | 0 | 0 | 113 | V205 L254 N255 T256 T260 F261 | V205-L258 HydrophobicContact CB-CD2 4.3Å; V205-L258 HydrophobicContact CG1-CD1 3.69Å; V205-L258 HydrophobicContact CG1-CD2 3.57Å; V205-L258 HydrophobicContact CG1-CG 3.64Å; L254-L258 HydrophobicContact CG-CD1 4.39Å; L254-L258 WeakPolarHBondContact O-CB 3.46Å; L254-L258 WeakPolarHBondContact O-CG 3.4Å; L254-L258 PolarHBondContact O-N 3.42Å; N255-L258 WeakPolarHBondContact O-CB 3.49Å; N255-L258 PolarHBondContact O-N 2.99Å; T256-L258 VanDerWaalsContact C-N 3.3Å; T256-L258 PolarHBondContact O-N 3.09Å; L258-T260 PolarHBondContact O-N 2.93Å; L258-F261 VanDerWaalsContact CA-CD2 3.48Å; L258-F261 HydrophobicContact CB-CD2 4.43Å; L258-F261 HydrophobicContact CB-CE2 4.48Å; L258-F261 HydrophobicContact CD2-CD2 3.89Å; L258-F261 HydrophobicContact CD2-CE2 3.55Å; L258-F261 HydrophobicContact CG-CD2 4.46Å; L258-F261 HydrophobicContact CG-CE2 4.08Å; L258-F261 WeakPolarHBondContact O-CD2 3.42Å; L258-F261 PolarHBondContact O-N 3.39Å |
| 259 | S | 85.8 | Confident | 86.2 | Confident | 88 Ų | 88 | 60.1 Ų | 60.1 | 62% | 0.615 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.3 | -18.8 | -179.3 | 70.8 | 0 | 0 | 0 | 0 | 114 | N255 T256 F257 | N255-S259 PolarHBondContact O-N 3.37Å; T256-S259 PolarHBondContact O-N 3.41Å; T256-S259 VanDerWaalsContact O-N 3.14Å; T256-S259 PolarHBondContact O-OG 3.49Å; F257-S259 PolarHBondContact O-N 3.13Å |
| 260 | T | 84.8 | Confident | 86.1 | Confident | 20 Ų | 20 | 56.8 Ų | 56.8 | 12% | 0.123 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 5.3 | -177.6 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | T256 F257 L258 S262 E263 K266 S267 A270 | T256-T260 WeakPolarHBondContact O-CG2 3.4Å; T256-T260 PolarHBondContact O-N 2.99Å; T256-T260 PolarHBondContact O-OG1 3.41Å; F257-T260 PolarHBondContact O-N 2.82Å; F257-T260 VanDerWaalsContact O-N 3.14Å; F257-T260 PolarHBondContact O-OG1 2.91Å; L258-T260 PolarHBondContact O-N 2.93Å; T260-S262 PolarHBondContact O-N 2.99Å; T260-S262 VanDerWaalsContact O-N 3.17Å; T260-E263 PolarHBondContact O-N 3.28Å; T260-E263 VanDerWaalsContact O-O 3.09Å; T260-K266 HydrophobicContact CG2-CB 3.97Å; T260-S267 WeakPolarHBondContact O-CB 3.45Å; T260-S267 WeakPolarHBondContact OG1-CA 3.3Å; T260-A270 HydrophobicContact CG2-CB 4.5Å; T260-A270 WeakPolarHBondContact OG1-CB 3.25Å |
| 261 | F | 77.9 | Confident | 85.8 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -28.6 | -174.3 | -97.2 | -58.5 | 0 | 0 | 0 | 114.8 | R201 V205 F257 L258 E263 | R201-F261 HydrophobicContact CB-CE1 4.09Å; R201-F261 HydrophobicContact CB-CZ 4.32Å; V205-F261 HydrophobicContact CG2-CE2 4.14Å; V205-F261 HydrophobicContact CG2-CZ 3.84Å; F257-F261 HydrophobicContact CD1-CE2 4.17Å; F257-F261 AromaticContact CD1-CZ 3.92Å; F257-F261 HydrophobicContact CD1-CZ 3.92Å; F257-F261 AromaticContact CE1-CE1 3.84Å; F257-F261 HydrophobicContact CE1-CE1 3.84Å; F257-F261 AromaticContact CE1-CE2 3.93Å; F257-F261 HydrophobicContact CE1-CE2 3.93Å; F257-F261 AromaticContact CE1-CZ 3.23Å; F257-F261 HydrophobicContact CE1-CZ 3.23Å; F257-F261 HydrophobicContact CE2-CD1 4.44Å; F257-F261 AromaticContact CE2-CE1 3.86Å; F257-F261 HydrophobicContact CE2-CE1 3.86Å; F257-F261 HydrophobicContact CE2-CZ 4.03Å; F257-F261 HydrophobicContact CZ-CD1 4.32Å; F257-F261 AromaticContact CZ-CE1 3.34Å; F257-F261 HydrophobicContact CZ-CE1 3.34Å; F257-F261 HydrophobicContact CZ-CE2 4.22Å; F257-F261 AromaticContact CZ-CZ 3.28Å; F257-F261 HydrophobicContact CZ-CZ 3.28Å; F257-F261 PolarHBondContact O-N 3.38Å; L258-F261 VanDerWaalsContact CA-CD2 3.48Å; L258-F261 HydrophobicContact CB-CD2 4.43Å; L258-F261 HydrophobicContact CB-CE2 4.48Å; L258-F261 HydrophobicContact CD2-CD2 3.89Å; L258-F261 HydrophobicContact CD2-CE2 3.55Å; L258-F261 HydrophobicContact CG-CD2 4.46Å; L258-F261 HydrophobicContact CG-CE2 4.08Å; L258-F261 WeakPolarHBondContact O-CD2 3.42Å; L258-F261 PolarHBondContact O-N 3.39Å; F261-E263 PolarHBondContact O-N 3.44Å |
| 262 | S | 74.3 | Confident | 85.7 | Confident | 108 Ų | 108 | 61.3 Ų | 61.3 | 76% | 0.755 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -17.2 | 178 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | T260 | T260-S262 PolarHBondContact O-N 2.99Å; T260-S262 VanDerWaalsContact O-N 3.17Å |
| 263 | E | 80.4 | Confident | 85.7 | Confident | 90 Ų | 90 | 59.2 Ų | 59.2 | 42% | 0.421 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -122.3 | 101.2 | -174.8 | -65.9 | -172.8 | -126.5 | 0 | 0 | 109.9 | T260 F261 D265 K266 S267 | T260-E263 PolarHBondContact O-N 3.28Å; T260-E263 VanDerWaalsContact O-O 3.09Å; F261-E263 PolarHBondContact O-N 3.44Å; E263-D265 PolarHBondContact O-N 3.09Å; E263-K266 HydrophobicContact CB-CB 4.02Å; E263-K266 HydrophobicContact CB-CD 4.19Å; E263-K266 HydrophobicContact CB-CG 4.17Å; E263-K266 PolarHBondContact O-N 2.65Å; E263-K266 VanDerWaalsContact O-N 3.11Å; E263-K266 IonicContact OE1-NZ 3.78Å; E263-K266 PolarHBondContact OE1-NZ 3.25Å; E263-K266 WeakPolarHBondContact OE2-CD 3.44Å; E263-K266 WeakPolarHBondContact OE2-CE 3.48Å; E263-K266 IonicContact OE2-NZ 3.75Å; E263-K266 PolarHBondContact OE2-NZ 2.99Å; E263-S267 WeakPolarHBondContact O-CB 3.44Å; E263-S267 PolarHBondContact O-N 3.34Å |
| 264 | L | 76.4 | Confident | 85.7 | Confident | 105 Ų | 105 | 59.2 Ų | 59.2 | 55% | 0.55 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -51.8 | -49.7 | -169.8 | -175.6 | 64.1 | 0 | 0 | 0 | 112.9 | K266 S267 I268 | L264-K266 PolarHBondContact O-N 2.8Å; L264-S267 WeakPolarHBondContact O-CB 3.39Å; L264-S267 PolarHBondContact O-N 2.64Å; L264-S267 VanDerWaalsContact O-N 3.16Å; L264-S267 PolarHBondContact O-OG 2.94Å; L264-I268 HydrophobicContact CD1-CD1 4.29Å; L264-I268 HydrophobicContact CG-CD1 4.06Å; L264-I268 WeakPolarHBondContact O-CG1 3.49Å; L264-I268 PolarHBondContact O-N 3.42Å |
| 265 | D | 81.5 | Confident | 85.7 | Confident | 128 Ų | 128 | 62.6 Ų | 62.6 | 68% | 0.684 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.7 | -40.8 | -178.1 | -65.5 | -28.1 | 0 | 0 | 0 | 112.8 | E263 I268 T269 | E263-D265 PolarHBondContact O-N 3.09Å; D265-I268 PolarHBondContact O-N 3.23Å; D265-T269 PolarHBondContact O-N 2.98Å; D265-T269 PolarHBondContact O-OG1 2.7Å |
| 266 | K | 87.1 | Confident | 85.8 | Confident | 105 Ų | 105 | 63.5 Ų | 63.5 | 46% | 0.457 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 174.3 | -66.1 | -170.5 | -174.6 | 155.7 | 0 | 110.8 | T260 E263 L264 I268 T269 A270 | T260-K266 HydrophobicContact CG2-CB 3.97Å; E263-K266 HydrophobicContact CB-CB 4.02Å; E263-K266 HydrophobicContact CB-CD 4.19Å; E263-K266 HydrophobicContact CB-CG 4.17Å; E263-K266 PolarHBondContact O-N 2.65Å; E263-K266 VanDerWaalsContact O-N 3.11Å; E263-K266 IonicContact OE1-NZ 3.78Å; E263-K266 PolarHBondContact OE1-NZ 3.25Å; E263-K266 WeakPolarHBondContact OE2-CD 3.44Å; E263-K266 WeakPolarHBondContact OE2-CE 3.48Å; E263-K266 IonicContact OE2-NZ 3.75Å; E263-K266 PolarHBondContact OE2-NZ 2.99Å; L264-K266 PolarHBondContact O-N 2.8Å; K266-I268 VanDerWaalsContact C-N 3.35Å; K266-I268 PolarHBondContact O-N 2.98Å; K266-T269 PolarHBondContact O-N 3.31Å; K266-A270 WeakPolarHBondContact O-CB 3.41Å; K266-A270 PolarHBondContact O-N 2.88Å |
| 267 | S | 82.4 | Confident | 86 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.014 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 178.3 | 84.1 | 0 | 0 | 0 | 0 | 112.4 | F257 T260 E263 L264 A270 F271 | F257-S267 WeakPolarHBondContact CD2-O 3.24Å; F257-S267 WeakPolarHBondContact CE2-O 3.39Å; T260-S267 WeakPolarHBondContact O-CB 3.45Å; T260-S267 WeakPolarHBondContact OG1-CA 3.3Å; E263-S267 WeakPolarHBondContact O-CB 3.44Å; E263-S267 PolarHBondContact O-N 3.34Å; L264-S267 WeakPolarHBondContact O-CB 3.39Å; L264-S267 PolarHBondContact O-N 2.64Å; L264-S267 VanDerWaalsContact O-N 3.16Å; L264-S267 PolarHBondContact O-OG 2.94Å; S267-A270 PolarHBondContact O-N 3.19Å; S267-F271 VanDerWaalsContact O-CB 3.24Å; S267-F271 WeakPolarHBondContact O-CB 3.47Å; S267-F271 PolarHBondContact O-N 2.97Å |
| 268 | I | 82 | Confident | 86.3 | Confident | 64 Ų | 64 | 64.7 Ų | 64.7 | 33% | 0.328 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 177.1 | -69.1 | 166.8 | 0 | 0 | 0 | 110.1 | L264 D265 K266 F271 K272 | L264-I268 HydrophobicContact CD1-CD1 4.29Å; L264-I268 HydrophobicContact CG-CD1 4.06Å; L264-I268 WeakPolarHBondContact O-CG1 3.49Å; L264-I268 PolarHBondContact O-N 3.42Å; D265-I268 PolarHBondContact O-N 3.23Å; K266-I268 VanDerWaalsContact C-N 3.35Å; K266-I268 PolarHBondContact O-N 2.98Å; I268-F271 PolarHBondContact O-N 3.05Å; I268-K272 WeakPolarHBondContact O-CG 3.46Å; I268-K272 PolarHBondContact O-N 2.94Å |
| 269 | T | 89 | Confident | 86.7 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 59% | 0.589 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64 | -45.8 | 178.1 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | D265 K266 F271 K272 A273 | D265-T269 PolarHBondContact O-N 2.98Å; D265-T269 PolarHBondContact O-OG1 2.7Å; K266-T269 PolarHBondContact O-N 3.31Å; T269-F271 VanDerWaalsContact C-N 3.34Å; T269-F271 PolarHBondContact O-N 3.47Å; T269-K272 PolarHBondContact O-N 3.39Å; T269-A273 PolarHBondContact O-N 3.28Å |
| 270 | A | 90.6 | Very high | 87.1 | Confident | 10 Ų | 10 | 67 Ų | 67 | 8% | 0.083 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65 | -36.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T256 F257 T260 K266 S267 A273 F274 | T256-A270 HydrophobicContact CG2-CB 4.39Å; F257-A270 HydrophobicContact CB-CB 4.13Å; F257-A270 HydrophobicContact CD2-CB 4.32Å; T260-A270 HydrophobicContact CG2-CB 4.5Å; T260-A270 WeakPolarHBondContact OG1-CB 3.25Å; K266-A270 WeakPolarHBondContact O-CB 3.41Å; K266-A270 PolarHBondContact O-N 2.88Å; S267-A270 PolarHBondContact O-N 3.19Å; A270-A273 PolarHBondContact O-N 3.2Å; A270-F274 PolarHBondContact O-N 3.31Å |
| 271 | F | 88.5 | Confident | 87.6 | Confident | 9 Ų | 9 | 66.1 Ų | 66.1 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 175.4 | -174.5 | -100.5 | 0 | 0 | 0 | 112.5 | V184 H185 L188 F257 S267 I268 T269 F274 K275 | V184-F271 HydrophobicContact CB-CE2 4.41Å; V184-F271 HydrophobicContact CG1-CD2 4.34Å; V184-F271 HydrophobicContact CG1-CE2 3.66Å; V184-F271 HydrophobicContact CG1-CZ 4.36Å; H185-F271 HydrophobicContact CB-CE1 4Å; H185-F271 HydrophobicContact CB-CZ 3.74Å; H185-F271 AromaticContact CG-CE1 3.92Å; H185-F271 AromaticContact ND1-CE1 3.42Å; H185-F271 WeakPolarHBondContact ND1-CE1 3.47Å; L188-F271 HydrophobicContact CD1-CB 3.98Å; L188-F271 HydrophobicContact CD1-CD1 3.66Å; L188-F271 HydrophobicContact CD1-CD2 3.4Å; L188-F271 HydrophobicContact CD1-CE1 3.99Å; L188-F271 HydrophobicContact CD1-CE2 3.74Å; L188-F271 HydrophobicContact CD1-CG 3.36Å; L188-F271 HydrophobicContact CD1-CZ 4.03Å; F257-F271 HydrophobicContact CD1-CD2 4.36Å; F257-F271 HydrophobicContact CD2-CB 3.88Å; F257-F271 HydrophobicContact CD2-CD2 4.42Å; F257-F271 AromaticContact CE1-CD2 3.96Å; F257-F271 HydrophobicContact CE1-CD2 3.96Å; F257-F271 HydrophobicContact CE2-CB 3.76Å; F257-F271 HydrophobicContact CE2-CD2 4.06Å; F257-F271 HydrophobicContact CE2-CG 4.32Å; F257-F271 HydrophobicContact CZ-CB 4.37Å; F257-F271 AromaticContact CZ-CD2 3.81Å; F257-F271 HydrophobicContact CZ-CD2 3.81Å; F257-F271 HydrophobicContact CZ-CG 4.46Å; S267-F271 VanDerWaalsContact O-CB 3.24Å; S267-F271 WeakPolarHBondContact O-CB 3.47Å; S267-F271 PolarHBondContact O-N 2.97Å; I268-F271 PolarHBondContact O-N 3.05Å; T269-F271 VanDerWaalsContact C-N 3.34Å; T269-F271 PolarHBondContact O-N 3.47Å; F271-F274 HydrophobicContact CD2-CD1 4.1Å; F271-F274 AromaticContact CE2-CD1 3.97Å; F271-F274 HydrophobicContact CE2-CD1 3.97Å; F271-F274 HydrophobicContact CE2-CE1 4.33Å; F271-F274 PolarHBondContact O-N 3.02Å; F271-K275 HydrophobicContact CE1-CD 4.47Å; F271-K275 WeakPolarHBondContact O-CB 3.36Å; F271-K275 PolarHBondContact O-N 3.19Å |
| 272 | K | 90 | Very high | 88.4 | Confident | 134 Ų | 134 | 67.8 Ų | 67.8 | 58% | 0.583 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58.6 | -48 | 173.1 | -74.4 | 176.2 | -178.6 | 175.6 | 0 | 110.9 | I268 T269 F274 K275 D276 | I268-K272 WeakPolarHBondContact O-CG 3.46Å; I268-K272 PolarHBondContact O-N 2.94Å; T269-K272 PolarHBondContact O-N 3.39Å; K272-F274 PolarHBondContact O-N 3.46Å; K272-K275 WeakPolarHBondContact O-CB 3.42Å; K272-K275 PolarHBondContact O-N 2.86Å; K272-D276 PolarHBondContact O-N 3.47Å |
| 273 | A | 92.5 | Very high | 89.4 | Confident | 40 Ų | 40 | 69.4 Ų | 69.4 | 33% | 0.331 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T269 A270 D276 R277 | T269-A273 PolarHBondContact O-N 3.28Å; A270-A273 PolarHBondContact O-N 3.2Å; A273-D276 PolarHBondContact O-N 3.36Å; A273-R277 WeakPolarHBondContact O-CG 3.48Å; A273-R277 PolarHBondContact O-N 3.41Å |
| 274 | F | 92.3 | Very high | 90.1 | Very high | 3 Ų | 3 | 65.1 Ų | 65.1 | 1% | 0.013 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 173.3 | 169.2 | -107.2 | 0 | 0 | 0 | 112.2 | V181 V208 V250 L254 A270 F271 K272 D276 R277 M278 | V181-F274 HydrophobicContact CG1-CE1 3.94Å; V181-F274 HydrophobicContact CG2-CE1 3.9Å; V181-F274 HydrophobicContact CG2-CZ 3.88Å; V208-F274 HydrophobicContact CG1-CZ 4.21Å; V250-F274 HydrophobicContact CG1-CD2 4.31Å; V250-F274 HydrophobicContact CG1-CE2 3.71Å; L254-F274 HydrophobicContact CB-CD2 3.96Å; L254-F274 HydrophobicContact CB-CE2 3.87Å; L254-F274 HydrophobicContact CD1-CD2 4.11Å; L254-F274 HydrophobicContact CD1-CE1 4.38Å; L254-F274 HydrophobicContact CD1-CE2 3.74Å; L254-F274 HydrophobicContact CD1-CZ 3.9Å; L254-F274 HydrophobicContact CG-CE2 4.28Å; A270-F274 PolarHBondContact O-N 3.31Å; F271-F274 HydrophobicContact CD2-CD1 4.1Å; F271-F274 AromaticContact CE2-CD1 3.97Å; F271-F274 HydrophobicContact CE2-CD1 3.97Å; F271-F274 HydrophobicContact CE2-CE1 4.33Å; F271-F274 PolarHBondContact O-N 3.02Å; K272-F274 PolarHBondContact O-N 3.46Å; F274-D276 VanDerWaalsContact C-N 3.34Å; F274-D276 PolarHBondContact O-N 3.42Å; F274-R277 PolarHBondContact O-N 3.22Å; F274-M278 HydrophobicContact CD1-CG 4.43Å; F274-M278 HydrophobicContact CD2-CG 4.22Å; F274-M278 HydrophobicContact CE1-CG 3.94Å; F274-M278 HydrophobicContact CE2-CG 3.71Å; F274-M278 HydrophobicContact CE2-SD 4.18Å; F274-M278 HydrophobicContact CZ-CG 3.55Å; F274-M278 HydrophobicContact CZ-SD 4.06Å; F274-M278 WeakPolarHBondContact O-CB 3.34Å; F274-M278 WeakPolarHBondContact O-CG 3.32Å; F274-M278 PolarHBondContact O-N 3.08Å |
| 275 | K | 91.2 | Very high | 91 | Very high | 74 Ų | 74 | 60.2 Ų | 60.2 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 178.5 | -174.8 | 178.9 | 176.3 | -178.9 | 0 | 111.8 | H185 F271 K272 M278 N279 | H185-K275 PolarHBondContact NE2-NZ 2.84Å; F271-K275 HydrophobicContact CE1-CD 4.47Å; F271-K275 WeakPolarHBondContact O-CB 3.36Å; F271-K275 PolarHBondContact O-N 3.19Å; K272-K275 WeakPolarHBondContact O-CB 3.42Å; K272-K275 PolarHBondContact O-N 2.86Å; K275-M278 WeakPolarHBondContact O-CB 3.46Å; K275-M278 PolarHBondContact O-N 3.15Å; K275-N279 VanDerWaalsContact O-CG 3.29Å; K275-N279 PolarHBondContact O-N 3.24Å; K275-N279 PolarHBondContact O-ND2 3.04Å |
| 276 | D | 92.9 | Very high | 91.6 | Very high | 95 Ų | 95 | 58 Ų | 58 | 51% | 0.508 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 178.4 | -69.3 | -21.5 | 0 | 0 | 0 | 112.1 | K272 A273 F274 N279 M280 | K272-D276 PolarHBondContact O-N 3.47Å; A273-D276 PolarHBondContact O-N 3.36Å; F274-D276 VanDerWaalsContact C-N 3.34Å; F274-D276 PolarHBondContact O-N 3.42Å; D276-N279 WeakPolarHBondContact O-CB 3.48Å; D276-N279 PolarHBondContact O-N 3.27Å; D276-M280 PolarHBondContact O-N 3.23Å; D276-M280 VanDerWaalsContact O-N 3.1Å |
| 277 | R | 94.4 | Very high | 92 | Very high | 91 Ų | 91 | 56.8 Ų | 56.8 | 34% | 0.343 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.4 | -38.2 | 175.3 | -66.2 | 179.8 | -168.2 | 168.5 | 5.9 | 111.9 | D249 V250 S253 A273 F274 N279 M280 L281 | D249-R277 VanDerWaalsContact O-CD 3.24Å; D249-R277 WeakPolarHBondContact O-CD 3.36Å; D249-R277 PolarHBondContact O-NH1 2.89Å; V250-R277 HydrophobicContact CG2-CB 3.87Å; S253-R277 VanDerWaalsContact N-NH1 3.13Å; S253-R277 WeakPolarHBondContact OG-CD 3.42Å; A273-R277 WeakPolarHBondContact O-CG 3.48Å; A273-R277 PolarHBondContact O-N 3.41Å; F274-R277 PolarHBondContact O-N 3.22Å; R277-N279 VanDerWaalsContact C-N 3.32Å; R277-N279 PolarHBondContact O-N 3.43Å; R277-M280 WeakPolarHBondContact O-CB 3.4Å; R277-M280 PolarHBondContact O-N 2.77Å; R277-L281 PolarHBondContact O-N 3.42Å |
| 278 | M | 93.4 | Very high | 92.5 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60 | -40.2 | 171.6 | -81.1 | -63.1 | -66.9 | 0 | 0 | 112.1 | W174 I177 V181 V250 F274 K275 M280 L281 N282 | W174-M278 HydrophobicContact CH2-CE 3.33Å; W174-M278 WeakPolarHBondContact CH2-O 3.42Å; W174-M278 HydrophobicContact CH2-SD 4.29Å; W174-M278 HydrophobicContact CZ2-CE 4.4Å; W174-M278 HydrophobicContact CZ3-CE 3.4Å; W174-M278 VanDerWaalsContact CZ3-CE 3.4Å; W174-M278 HydrophobicContact CZ3-SD 4.17Å; I177-M278 HydrophobicContact CG2-CE 3.51Å; V181-M278 HydrophobicContact CG2-CE 3.98Å; V250-M278 HydrophobicContact CG1-CG 4.13Å; V250-M278 HydrophobicContact CG1-SD 3.47Å; V250-M278 WeakPolarHBondContact CG1-SD 3.43Å; V250-M278 HydrophobicContact CG2-SD 4.22Å; F274-M278 HydrophobicContact CD1-CG 4.43Å; F274-M278 HydrophobicContact CD2-CG 4.22Å; F274-M278 HydrophobicContact CE1-CG 3.94Å; F274-M278 HydrophobicContact CE2-CG 3.71Å; F274-M278 HydrophobicContact CE2-SD 4.18Å; F274-M278 HydrophobicContact CZ-CG 3.55Å; F274-M278 HydrophobicContact CZ-SD 4.06Å; F274-M278 WeakPolarHBondContact O-CB 3.34Å; F274-M278 WeakPolarHBondContact O-CG 3.32Å; F274-M278 PolarHBondContact O-N 3.08Å; K275-M278 WeakPolarHBondContact O-CB 3.46Å; K275-M278 PolarHBondContact O-N 3.15Å; M278-M280 VanDerWaalsContact C-N 3.32Å; M278-M280 PolarHBondContact O-N 3.09Å; M278-L281 PolarHBondContact O-N 3.07Å; M278-L281 HydrophobicContact SD-CD2 4.42Å; M278-N282 PolarHBondContact O-N 3.41Å |
| 279 | N | 93.1 | Very high | 92.9 | Very high | 85 Ų | 85 | 61.4 Ų | 61.4 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 175.3 | -70.9 | -28.9 | 0 | 0 | 0 | 111.9 | K275 D276 R277 N282 Y283 | K275-N279 VanDerWaalsContact O-CG 3.29Å; K275-N279 PolarHBondContact O-N 3.24Å; K275-N279 PolarHBondContact O-ND2 3.04Å; D276-N279 WeakPolarHBondContact O-CB 3.48Å; D276-N279 PolarHBondContact O-N 3.27Å; R277-N279 VanDerWaalsContact C-N 3.32Å; R277-N279 PolarHBondContact O-N 3.43Å; N279-N282 WeakPolarHBondContact O-CB 3.45Å; N279-N282 PolarHBondContact O-N 3.1Å; N279-Y283 PolarHBondContact O-N 3.2Å; N279-Y283 VanDerWaalsContact O-N 3.07Å |
| 280 | M | 94.1 | Very high | 92.9 | Very high | 108 Ų | 108 | 60.7 Ų | 60.7 | 53% | 0.532 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 173.8 | -64.7 | -170.3 | -176.3 | 0 | 0 | 112.5 | K246 D276 R277 M278 Y283 A284 | K246-M280 HydrophobicContact CD-CB 4.26Å; K246-M280 WeakPolarHBondContact CD-O 3.41Å; D276-M280 PolarHBondContact O-N 3.23Å; D276-M280 VanDerWaalsContact O-N 3.1Å; R277-M280 WeakPolarHBondContact O-CB 3.4Å; R277-M280 PolarHBondContact O-N 2.77Å; M278-M280 VanDerWaalsContact C-N 3.32Å; M278-M280 PolarHBondContact O-N 3.09Å; M280-Y283 PolarHBondContact O-N 3.19Å; M280-A284 PolarHBondContact O-N 3.19Å |
| 281 | L | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 174.8 | -179.7 | 56.6 | 0 | 0 | 0 | 111.2 | W174 M212 L215 I243 K246 I247 V250 R277 M278 Y283 A284 V285 | W174-L281 HydrophobicContact CE3-CD2 4.27Å; W174-L281 HydrophobicContact CE3-CG 4.15Å; W174-L281 HydrophobicContact CH2-CB 4.33Å; W174-L281 HydrophobicContact CH2-CG 4.27Å; W174-L281 HydrophobicContact CZ3-CB 4.12Å; W174-L281 HydrophobicContact CZ3-CD2 3.65Å; W174-L281 HydrophobicContact CZ3-CG 3.6Å; M212-L281 HydrophobicContact CE-CD2 3.83Å; M212-L281 HydrophobicContact SD-CD2 4.19Å; L215-L281 HydrophobicContact CD2-CD2 4.08Å; I243-L281 HydrophobicContact CB-CD1 4.43Å; I243-L281 HydrophobicContact CG2-CD1 3.98Å; K246-L281 HydrophobicContact CB-CB 4.4Å; K246-L281 HydrophobicContact CB-CD1 3.92Å; I247-L281 HydrophobicContact CG1-CD1 4.34Å; I247-L281 HydrophobicContact CG1-CD2 4.27Å; V250-L281 HydrophobicContact CG2-CB 4.12Å; V250-L281 HydrophobicContact CG2-CD2 3.97Å; R277-L281 PolarHBondContact O-N 3.42Å; M278-L281 PolarHBondContact O-N 3.07Å; M278-L281 HydrophobicContact SD-CD2 4.42Å; L281-Y283 VanDerWaalsContact C-N 3.27Å; L281-Y283 PolarHBondContact O-N 3.43Å; L281-A284 WeakPolarHBondContact O-CB 3.46Å; L281-A284 PolarHBondContact O-N 2.83Å; L281-V285 HydrophobicContact CD1-CG2 4.32Å; L281-V285 WeakPolarHBondContact O-CG2 3.46Å; L281-V285 PolarHBondContact O-N 3.42Å |
| 282 | N | 95.4 | Very high | 92.3 | Very high | 69 Ų | 69 | 68.4 Ų | 68.4 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -53.8 | -45.8 | 172.9 | -170.9 | 43.2 | 0 | 0 | 0 | 111.7 | W174 M278 N279 A284 V285 S286 | W174-N282 VanDerWaalsContact CE2-OD1 3.25Å; W174-N282 HydrophobicContact CH2-CB 3.85Å; W174-N282 HydrophobicContact CZ2-CB 3.25Å; W174-N282 VanDerWaalsContact CZ2-OD1 3.24Å; W174-N282 WeakPolarHBondContact CZ2-OD1 3.49Å; W174-N282 PolarHBondContact NE1-OD1 3.36Å; M278-N282 PolarHBondContact O-N 3.41Å; N279-N282 WeakPolarHBondContact O-CB 3.45Å; N279-N282 PolarHBondContact O-N 3.1Å; N282-A284 VanDerWaalsContact C-N 3.3Å; N282-A284 PolarHBondContact O-N 3.23Å; N282-V285 PolarHBondContact O-N 3.08Å; N282-S286 WeakPolarHBondContact O-CB 3.48Å; N282-S286 PolarHBondContact O-N 3.43Å; N282-S286 PolarHBondContact O-OG 3.14Å |
| 283 | Y | 94.8 | Very high | 92 | Very high | 141 Ų | 141 | 65.8 Ų | 65.8 | 55% | 0.553 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.3 | -33.5 | 178.3 | 179.6 | -107.5 | 0 | 0 | 0 | 112.7 | N279 M280 L281 S286 K287 | N279-Y283 PolarHBondContact O-N 3.2Å; N279-Y283 VanDerWaalsContact O-N 3.07Å; M280-Y283 PolarHBondContact O-N 3.19Å; L281-Y283 VanDerWaalsContact C-N 3.27Å; L281-Y283 PolarHBondContact O-N 3.43Å; Y283-S286 PolarHBondContact O-OG 3.45Å; Y283-K287 HydrophobicContact CE1-CD 4.36Å; Y283-K287 WeakPolarHBondContact O-CG 3.49Å; Y283-K287 WeakPolarHBondContact OH-CE 3.5Å; Y283-K287 PolarHBondContact OH-NZ 3.32Å; Y283-K287 VanDerWaalsContact OH-NZ 3.09Å |
| 284 | A | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.4 | -44.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V239 I243 K246 M280 L281 N282 S286 K287 | V239-A284 WeakPolarHBondContact CG1-O 3.37Å; I243-A284 HydrophobicContact CG1-CB 3.75Å; K246-A284 HydrophobicContact CD-CB 3.91Å; M280-A284 PolarHBondContact O-N 3.19Å; L281-A284 WeakPolarHBondContact O-CB 3.46Å; L281-A284 PolarHBondContact O-N 2.83Å; N282-A284 VanDerWaalsContact C-N 3.3Å; N282-A284 PolarHBondContact O-N 3.23Å; A284-S286 VanDerWaalsContact C-N 3.33Å; A284-S286 PolarHBondContact O-N 3.46Å; A284-K287 WeakPolarHBondContact O-CB 3.44Å; A284-K287 PolarHBondContact O-N 2.72Å |
| 285 | V | 95.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 75.9 Ų | 75.9 | 2% | 0.018 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 177.9 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | K171 W174 I243 L281 N282 K287 L288 | K171-V285 HydrophobicContact CG-CG1 4.42Å; W174-V285 HydrophobicContact CB-CB 4.47Å; W174-V285 HydrophobicContact CB-CG1 3.74Å; W174-V285 HydrophobicContact CB-CG2 4.24Å; W174-V285 HydrophobicContact CD2-CB 4.27Å; W174-V285 HydrophobicContact CD2-CG1 4.39Å; W174-V285 HydrophobicContact CD2-CG2 3.99Å; W174-V285 HydrophobicContact CE3-CG2 4.14Å; W174-V285 HydrophobicContact CG-CB 4.01Å; W174-V285 HydrophobicContact CG-CG1 3.62Å; W174-V285 HydrophobicContact CG-CG2 3.99Å; I243-V285 HydrophobicContact CD1-CG2 4.03Å; I243-V285 HydrophobicContact CG1-CG2 4.23Å; L281-V285 HydrophobicContact CD1-CG2 4.32Å; L281-V285 WeakPolarHBondContact O-CG2 3.46Å; L281-V285 PolarHBondContact O-N 3.42Å; N282-V285 PolarHBondContact O-N 3.08Å; V285-K287 PolarHBondContact O-N 2.87Å; V285-L288 HydrophobicContact CG1-CD1 4.33Å; V285-L288 VanDerWaalsContact O-CB 3.31Å; V285-L288 WeakPolarHBondContact O-CB 3.35Å; V285-L288 PolarHBondContact O-N 3.3Å |
| 286 | S | 94.3 | Very high | 91.9 | Very high | 80 Ų | 80 | 74.4 Ų | 74.4 | 56% | 0.559 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.1 | -22 | 179 | 72.5 | 0 | 0 | 0 | 0 | 113.3 | N282 Y283 A284 L288 | N282-S286 WeakPolarHBondContact O-CB 3.48Å; N282-S286 PolarHBondContact O-N 3.43Å; N282-S286 PolarHBondContact O-OG 3.14Å; Y283-S286 PolarHBondContact O-OG 3.45Å; A284-S286 VanDerWaalsContact C-N 3.33Å; A284-S286 PolarHBondContact O-N 3.46Å; S286-L288 VanDerWaalsContact C-N 3.3Å; S286-L288 PolarHBondContact O-N 2.9Å |
| 287 | K | 94.8 | Very high | 91.9 | Very high | 80 Ų | 80 | 70.4 Ų | 70.4 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -13.6 | 173.7 | -73 | 179.8 | 179.1 | -175.5 | 0 | 114 | V239 Y283 A284 V285 R289 | V239-K287 HydrophobicContact CG1-CB 3.98Å; V239-K287 HydrophobicContact CG2-CB 4.03Å; Y283-K287 HydrophobicContact CE1-CD 4.36Å; Y283-K287 WeakPolarHBondContact O-CG 3.49Å; Y283-K287 WeakPolarHBondContact OH-CE 3.5Å; Y283-K287 PolarHBondContact OH-NZ 3.32Å; Y283-K287 VanDerWaalsContact OH-NZ 3.09Å; A284-K287 WeakPolarHBondContact O-CB 3.44Å; A284-K287 PolarHBondContact O-N 2.72Å; V285-K287 PolarHBondContact O-N 2.87Å; K287-R289 PolarHBondContact O-N 3.39Å |
| 288 | L | 93 | Very high | 91.8 | Very high | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -62 | 124.1 | 175.6 | -72.1 | 173.7 | 0 | 0 | 0 | 110.1 | V167 V170 K171 N236 V239 V240 I243 V285 S286 | V167-L288 HydrophobicContact CG1-CB 4.09Å; V170-L288 HydrophobicContact CB-CD1 4.05Å; V170-L288 HydrophobicContact CG1-CD1 3.57Å; K171-L288 WeakPolarHBondContact CE-O 3.42Å; K171-L288 HydrophobicContact CG-CD1 4.36Å; K171-L288 PolarHBondContact NZ-O 2.87Å; N236-L288 HydrophobicContact CB-CD2 4.42Å; V239-L288 HydrophobicContact CB-CD2 4.15Å; V239-L288 HydrophobicContact CG1-CD2 3.7Å; V239-L288 HydrophobicContact CG1-CG 3.96Å; V240-L288 HydrophobicContact CG2-CD2 3.86Å; I243-L288 HydrophobicContact CD1-CD1 3.75Å; I243-L288 HydrophobicContact CD1-CD2 4.13Å; I243-L288 HydrophobicContact CD1-CG 3.9Å; V285-L288 HydrophobicContact CG1-CD1 4.33Å; V285-L288 VanDerWaalsContact O-CB 3.31Å; V285-L288 WeakPolarHBondContact O-CB 3.35Å; V285-L288 PolarHBondContact O-N 3.3Å; S286-L288 VanDerWaalsContact C-N 3.3Å; S286-L288 PolarHBondContact O-N 2.9Å |
| 289 | R | 91.6 | Very high | 91.8 | Very high | 159 Ų | 159 | 73.2 Ų | 73.2 | 60% | 0.6 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -95.7 | 134 | -176.6 | -62 | -179.2 | 180 | 175.8 | -2.4 | 110.3 | N236 K287 | N236-R289 PolarHBondContact ND2-O 3.22Å; N236-R289 PolarHBondContact OD1-N 3.44Å; K287-R289 PolarHBondContact O-N 3.39Å |
| 290 | N | 88.2 | Confident | 91.7 | Very high | 81 Ų | 81 | 70.2 Ų | 70.2 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 141.3 | 168.1 | -62.4 | -5.3 | 0 | 0 | 0 | 108.9 | Q168 K171 | Q168-N290 PolarHBondContact NE2-ND2 3.22Å; Q168-N290 PolarHBondContact NE2-OD1 3.35Å; K171-N290 PolarHBondContact NZ-OD1 3.26Å |
| 291 | I | 82.9 | Confident | 91.7 | Very high | 9 Ų | 9 | 68.4 Ų | 68.4 | 5% | 0.046 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -85.9 | 129.5 | 172.2 | -57.8 | -161.2 | 0 | 0 | 0 | 108 | E160 Y163 N164 Y228 K232 | E160-I291 HydrophobicContact CG-CG2 4.47Å; Y163-I291 HydrophobicContact CD1-CD1 3.19Å; Y163-I291 HydrophobicContact CD1-CG1 3.98Å; Y163-I291 HydrophobicContact CE1-CD1 3.49Å; Y163-I291 VanDerWaalsContact CE1-CD1 3.49Å; Y163-I291 HydrophobicContact CE1-CG1 4.19Å; Y163-I291 HydrophobicContact CG-CD1 4.16Å; N164-I291 HydrophobicContact CB-CB 4.3Å; N164-I291 PolarHBondContact OD1-N 3.03Å; Y228-I291 HydrophobicContact CD1-CD1 4.25Å; Y228-I291 HydrophobicContact CE1-CD1 3.29Å; Y228-I291 WeakPolarHBondContact OH-CD1 3.24Å; K232-I291 HydrophobicContact CB-CD1 4.29Å; K232-I291 HydrophobicContact CB-CG1 4.35Å |
| 292 | K | 83.9 | Confident | 91.6 | Very high | 172 Ų | 172 | 76.2 Ų | 76.2 | 75% | 0.748 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -81.8 | 116.6 | 170.7 | -177.2 | 178.5 | -179.4 | -179.2 | 0 | 106 | K294 | K292-K294 PolarHBondContact O-N 3.5Š|
| 293 | L | 85 | Confident | 91.4 | Very high | 80 Ų | 80 | 75.8 Ų | 75.8 | 42% | 0.419 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 123.4 | 175.9 | -62.6 | 177.2 | 0 | 0 | 0 | 108.7 | E160 E161 K295 | E160-L293 HydrophobicContact CB-CD2 3.86Å; E161-L293 HydrophobicContact CB-CD2 4.36Å; L293-K295 VanDerWaalsContact C-N 3.32Å |
| 294 | K | 88.5 | Confident | 91.3 | Very high | 135 Ų | 135 | 70.2 Ų | 70.2 | 59% | 0.587 | 33% | 0.331 | S | S | * | . | trans | -80 | -18.4 | -179.8 | -72.6 | -179.5 | 174.8 | -177.1 | 0 | 112.8 | E160 K292 H296 | E160-K294 PolarHBondContact OE2-N 3.41Å; K292-K294 PolarHBondContact O-N 3.5Å; K294-H296 VanDerWaalsContact CD-CE1 3.45Å; K294-H296 WeakPolarHBondContact CD-CE1 3.38Å | ||
| 295 | K | 91.4 | Very high | 91.2 | Very high | 120 Ų | 120 | 75.9 Ų | 75.9 | 52% | 0.522 | 36% | 0.357 | S | S | . | . | trans | 58.5 | 54.8 | -177.9 | -56.9 | 178.4 | 160 | -150.4 | 0 | 110.7 | D157 L293 A297 D298 I299 | D157-K295 WeakPolarHBondContact OD1-CA 3.48Å; D157-K295 PolarHBondContact OD1-N 3.2Å; L293-K295 VanDerWaalsContact C-N 3.32Å; K295-A297 VanDerWaalsContact C-N 3.26Å; K295-A297 PolarHBondContact O-N 3.31Å; K295-D298 HydrophobicContact CB-CB 4.1Å; K295-D298 WeakPolarHBondContact CD-OD2 3.37Å; K295-D298 IonicContact NZ-OD2 2.8Å; K295-D298 PolarHBondContact O-N 3.37Å; K295-I299 PolarHBondContact O-N 3.48Å | ||
| 296 | H | 92.3 | Very high | 91 | Very high | 42 Ų | 42 | 80.3 Ų | 80.3 | 19% | 0.194 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.8 | -40.5 | -177.4 | -62 | -83 | 0 | 0 | 0 | 111.4 | A153 D157 E160 K294 I299 E300 | A153-H296 HydrophobicContact CB-CB 3.83Å; D157-H296 VanDerWaalsContact CG-N 3.34Å; D157-H296 IonicContact OD1-CD2 2.66Å; D157-H296 PolarHBondContact OD1-CD2 3.27Å; D157-H296 IonicContact OD1-CG 3.98Å; D157-H296 PolarHBondContact OD1-N 2.84Å; D157-H296 PolarHBondContact OD2-N 3.49Å; D157-H296 VanDerWaalsContact OD2-N 3.07Å; E160-H296 IonicContact OE1-CD2 2.65Å; E160-H296 IonicContact OE1-CE1 3.88Å; E160-H296 IonicContact OE1-NE2 3.08Å; E160-H296 PolarHBondContact OE1-NE2 3.45Å; E160-H296 IonicContact OE2-NE2 3.94Å; K294-H296 VanDerWaalsContact CD-CE1 3.45Å; K294-H296 WeakPolarHBondContact CD-CE1 3.38Å; H296-I299 PolarHBondContact O-N 2.85Å; H296-E300 PolarHBondContact O-N 3.01Å; H296-E300 VanDerWaalsContact O-N 3.1Å |
| 297 | A | 93.1 | Very high | 90.8 | Very high | 12 Ų | 12 | 78 Ų | 78 | 10% | 0.099 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L150 V154 D157 K295 I299 E300 I301 | L150-A297 HydrophobicContact CD1-CB 4.13Å; V154-A297 HydrophobicContact CG2-CB 3.8Å; D157-A297 VanDerWaalsContact OD2-CB 3.31Å; D157-A297 WeakPolarHBondContact OD2-CB 3.33Å; D157-A297 PolarHBondContact OD2-N 2.88Å; K295-A297 VanDerWaalsContact C-N 3.26Å; K295-A297 PolarHBondContact O-N 3.31Å; A297-I299 VanDerWaalsContact C-N 3.28Å; A297-I299 PolarHBondContact O-N 3.25Å; A297-E300 PolarHBondContact O-N 3.42Å; A297-E300 VanDerWaalsContact O-N 3.15Å; A297-I301 VanDerWaalsContact O-CG1 3.3Å; A297-I301 WeakPolarHBondContact O-CG1 3.41Å; A297-I301 PolarHBondContact O-N 3.44Å |
| 298 | D | 92.9 | Very high | 90.5 | Very high | 68 Ų | 68 | 78 Ų | 78 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 177.3 | -69.8 | -7.4 | 0 | 0 | 0 | 111.5 | K295 R302 | K295-D298 HydrophobicContact CB-CB 4.1Å; K295-D298 WeakPolarHBondContact CD-OD2 3.37Å; K295-D298 IonicContact NZ-OD2 2.8Å; K295-D298 PolarHBondContact O-N 3.37Å; D298-R302 WeakPolarHBondContact O-CG 3.45Å; D298-R302 PolarHBondContact O-N 2.95Å |
| 299 | I | 92.7 | Very high | 90.4 | Very high | 89 Ų | 89 | 85.2 Ų | 85.2 | 46% | 0.456 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 176.3 | -64.8 | 168.9 | 0 | 0 | 0 | 109.9 | K295 H296 A297 R302 N303 | K295-I299 PolarHBondContact O-N 3.48Å; H296-I299 PolarHBondContact O-N 2.85Å; A297-I299 VanDerWaalsContact C-N 3.28Å; A297-I299 PolarHBondContact O-N 3.25Å; I299-R302 PolarHBondContact O-N 3.19Å; I299-N303 VanDerWaalsContact O-CG 3.3Å; I299-N303 PolarHBondContact O-N 2.96Å; I299-N303 VanDerWaalsContact O-N 3.09Å; I299-N303 PolarHBondContact O-ND2 3.23Å |
| 300 | E | 91.9 | Very high | 90.3 | Very high | 22 Ų | 22 | 83.4 Ų | 83.4 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -72 | -35.2 | -177.3 | -161 | 55 | -149.1 | 0 | 0 | 112.9 | K146 D149 L150 A153 H296 A297 N303 M304 | K146-E300 WeakPolarHBondContact CD-OE1 3.38Å; K146-E300 WeakPolarHBondContact CE-OE1 3.39Å; K146-E300 IonicContact NZ-OE1 2.92Å; K146-E300 PolarHBondContact NZ-OE1 3.37Å; K146-E300 IonicContact NZ-OE2 2.73Å; D149-E300 HydrophobicContact CB-CG 4.23Å; L150-E300 HydrophobicContact CB-CG 4.17Å; L150-E300 HydrophobicContact CD1-CB 4.23Å; A153-E300 HydrophobicContact CB-CB 4.26Å; H296-E300 PolarHBondContact O-N 3.01Å; H296-E300 VanDerWaalsContact O-N 3.1Å; A297-E300 PolarHBondContact O-N 3.42Å; A297-E300 VanDerWaalsContact O-N 3.15Å; E300-N303 WeakPolarHBondContact O-CB 3.32Å; E300-N303 PolarHBondContact O-N 3.23Å; E300-N303 PolarHBondContact OE2-ND2 3.02Å; E300-N303 VanDerWaalsContact OE2-ND2 3.13Å; E300-M304 HydrophobicContact CG-CE 4.11Å; E300-M304 WeakPolarHBondContact O-CG 3.09Å; E300-M304 PolarHBondContact O-N 2.89Å |
| 301 | I | 93.4 | Very high | 90.2 | Very high | 71 Ų | 71 | 83.9 Ų | 83.9 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 172.1 | -70.2 | 165.7 | 0 | 0 | 0 | 110.3 | L150 A297 N303 M304 E305 | L150-I301 HydrophobicContact CD1-CD1 4.45Å; L150-I301 HydrophobicContact CD1-CG1 3.92Å; A297-I301 VanDerWaalsContact O-CG1 3.3Å; A297-I301 WeakPolarHBondContact O-CG1 3.41Å; A297-I301 PolarHBondContact O-N 3.44Å; I301-N303 VanDerWaalsContact C-N 3.28Å; I301-N303 PolarHBondContact O-N 3.24Å; I301-M304 WeakPolarHBondContact O-CB 2.85Å; I301-M304 PolarHBondContact O-N 2.62Å; I301-M304 VanDerWaalsContact O-N 3.08Å; I301-E305 HydrophobicContact CG2-CG 4.43Å; I301-E305 WeakPolarHBondContact O-CG 3.47Å; I301-E305 PolarHBondContact O-N 3.19Å |
| 302 | R | 93.4 | Very high | 90.4 | Very high | 163 Ų | 163 | 89.4 Ų | 89.4 | 62% | 0.615 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -60.3 | -38.3 | 176.6 | -71.1 | 175.8 | -167.2 | -177 | 3 | 112.4 | D298 I299 M304 E305 L306 | D298-R302 WeakPolarHBondContact O-CG 3.45Å; D298-R302 PolarHBondContact O-N 2.95Å; I299-R302 PolarHBondContact O-N 3.19Å; R302-M304 VanDerWaalsContact C-N 3.32Å; R302-M304 PolarHBondContact O-N 3.11Å; R302-E305 PolarHBondContact O-N 3.35Å; R302-L306 WeakPolarHBondContact O-CG 3.44Å; R302-L306 PolarHBondContact O-N 2.64Å |
| 303 | N | 91.8 | Very high | 90.6 | Very high | 60 Ų | 60 | 87.3 Ų | 87.3 | 32% | 0.321 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 175.6 | -68.8 | -23.6 | 0 | 0 | 0 | 111.7 | I299 E300 I301 I307 | I299-N303 VanDerWaalsContact O-CG 3.3Å; I299-N303 PolarHBondContact O-N 2.96Å; I299-N303 VanDerWaalsContact O-N 3.09Å; I299-N303 PolarHBondContact O-ND2 3.23Å; E300-N303 WeakPolarHBondContact O-CB 3.32Å; E300-N303 PolarHBondContact O-N 3.23Å; E300-N303 PolarHBondContact OE2-ND2 3.02Å; E300-N303 VanDerWaalsContact OE2-ND2 3.13Å; I301-N303 VanDerWaalsContact C-N 3.28Å; I301-N303 PolarHBondContact O-N 3.24Å; N303-I307 WeakPolarHBondContact O-CG1 3.48Å; N303-I307 PolarHBondContact O-N 2.69Å |
| 304 | M | 92.2 | Very high | 90.5 | Very high | 25 Ų | 25 | 87.2 Ų | 87.2 | 12% | 0.123 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67 | -43.4 | 174.6 | -65.9 | -167.7 | -149.1 | 0 | 0 | 112.4 | M143 K146 L150 E300 I301 R302 L306 I307 L308 | M143-M304 HydrophobicContact SD-CB 4.48Å; K146-M304 HydrophobicContact CB-CE 3.82Å; K146-M304 HydrophobicContact CB-CG 3.77Å; K146-M304 HydrophobicContact CB-SD 4Å; K146-M304 HydrophobicContact CD-CG 4.46Å; K146-M304 HydrophobicContact CG-CG 4.34Å; K146-M304 WeakPolarHBondContact O-CE 3.4Å; L150-M304 HydrophobicContact CB-CE 3.36Å; L150-M304 HydrophobicContact CD2-CE 3.71Å; L150-M304 HydrophobicContact CG-CE 4.06Å; E300-M304 HydrophobicContact CG-CE 4.11Å; E300-M304 WeakPolarHBondContact O-CG 3.09Å; E300-M304 PolarHBondContact O-N 2.89Å; I301-M304 WeakPolarHBondContact O-CB 2.85Å; I301-M304 PolarHBondContact O-N 2.62Å; I301-M304 VanDerWaalsContact O-N 3.08Å; R302-M304 VanDerWaalsContact C-N 3.32Å; R302-M304 PolarHBondContact O-N 3.11Å; M304-L306 VanDerWaalsContact C-N 3.27Å; M304-L306 PolarHBondContact O-N 3.03Å; M304-I307 PolarHBondContact O-N 3.14Å; M304-L308 PolarHBondContact O-N 3.33Å |
| 305 | E | 92.2 | Very high | 90 | Very high | 118 Ų | 118 | 82.4 Ų | 82.4 | 55% | 0.551 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.1 | -40 | 177.2 | -71.2 | 173.2 | 162.1 | 0 | 0 | 111.7 | I301 R302 L308 Y309 | I301-E305 HydrophobicContact CG2-CG 4.43Å; I301-E305 WeakPolarHBondContact O-CG 3.47Å; I301-E305 PolarHBondContact O-N 3.19Å; R302-E305 PolarHBondContact O-N 3.35Å; E305-L308 PolarHBondContact O-N 2.94Å; E305-Y309 VanDerWaalsContact O-CB 3.31Å; E305-Y309 WeakPolarHBondContact O-CB 3.47Å; E305-Y309 PolarHBondContact O-N 3.41Å |
| 306 | L | 92 | Very high | 89.6 | Confident | 96 Ų | 96 | 81 Ų | 81 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 175.3 | -74.8 | 170 | 0 | 0 | 0 | 112.1 | R302 M304 L308 Y309 E310 | R302-L306 WeakPolarHBondContact O-CG 3.44Å; R302-L306 PolarHBondContact O-N 2.64Å; M304-L306 VanDerWaalsContact C-N 3.27Å; M304-L306 PolarHBondContact O-N 3.03Å; L306-L308 VanDerWaalsContact C-N 3.34Å; L306-L308 PolarHBondContact O-N 3.2Å; L306-Y309 PolarHBondContact O-N 3.24Å; L306-E310 WeakPolarHBondContact O-CG 3.38Å; L306-E310 PolarHBondContact O-N 3.14Å |
| 307 | I | 89.8 | Confident | 88.9 | Confident | 32 Ų | 32 | 82.4 Ų | 82.4 | 16% | 0.164 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 177.8 | -63.6 | 163.9 | 0 | 0 | 0 | 110.7 | M143 K146 N303 M304 Y309 W311 | M143-I307 HydrophobicContact CE-CB 3.51Å; M143-I307 HydrophobicContact CE-CD1 4.28Å; M143-I307 HydrophobicContact CE-CG2 3.33Å; K146-I307 HydrophobicContact CD-CD1 4.22Å; K146-I307 HydrophobicContact CG-CD1 3.92Å; N303-I307 WeakPolarHBondContact O-CG1 3.48Å; N303-I307 PolarHBondContact O-N 2.69Å; M304-I307 PolarHBondContact O-N 3.14Å; I307-Y309 VanDerWaalsContact C-N 3.35Å; I307-W311 PolarHBondContact O-N 3.44Å |
| 308 | L | 88.9 | Confident | 87.8 | Confident | 80 Ų | 80 | 84.3 Ų | 84.3 | 42% | 0.419 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.3 | -38 | 177.2 | -69.3 | 175.6 | 0 | 0 | 0 | 112.1 | M143 M304 E305 L306 W311 K312 | M143-L308 HydrophobicContact CE-CD2 3.77Å; M143-L308 HydrophobicContact CE-CG 3.7Å; M143-L308 HydrophobicContact SD-CD2 4.24Å; M143-L308 HydrophobicContact SD-CG 4.31Å; M304-L308 PolarHBondContact O-N 3.33Å; E305-L308 PolarHBondContact O-N 2.94Å; L306-L308 VanDerWaalsContact C-N 3.34Å; L306-L308 PolarHBondContact O-N 3.2Å; L308-W311 PolarHBondContact O-N 3.11Å; L308-K312 WeakPolarHBondContact O-CB 3.42Å; L308-K312 PolarHBondContact O-N 3.04Å |
| 309 | Y | 90.5 | Very high | 86.6 | Confident | 156 Ų | 156 | 87.3 Ų | 87.3 | 61% | 0.612 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.1 | -46.2 | 177.1 | 177.8 | -99.4 | 0 | 0 | 0 | 111.9 | E305 L306 I307 W311 K312 K313 | E305-Y309 VanDerWaalsContact O-CB 3.31Å; E305-Y309 WeakPolarHBondContact O-CB 3.47Å; E305-Y309 PolarHBondContact O-N 3.41Å; L306-Y309 PolarHBondContact O-N 3.24Å; I307-Y309 VanDerWaalsContact C-N 3.35Å; Y309-W311 VanDerWaalsContact C-N 3.33Å; Y309-W311 PolarHBondContact O-N 2.83Å; Y309-K312 PolarHBondContact O-N 3.17Å; Y309-K313 PolarHBondContact O-N 3.42Å |
| 310 | E | 89.3 | Confident | 85.5 | Confident | 121 Ų | 121 | 88.1 Ų | 88.1 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -59.1 | -44.9 | 175 | -74 | 176.4 | 174 | 0 | 0 | 111.2 | L306 K312 K313 D314 | L306-E310 WeakPolarHBondContact O-CG 3.38Å; L306-E310 PolarHBondContact O-N 3.14Å; E310-K312 PolarHBondContact O-N 3.37Å; E310-K313 WeakPolarHBondContact O-CB 3.49Å; E310-K313 PolarHBondContact O-N 3.21Å; E310-D314 PolarHBondContact O-N 3.35Å |
| 311 | W | 85.9 | Confident | 83.9 | Confident | 90 Ų | 90 | 90 Ų | 90 | 34% | 0.341 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.7 | 174.6 | 54.5 | 0 | 0 | 0 | 113.4 | I139 I307 L308 Y309 K313 D314 C315 | I139-W311 HydrophobicContact CD1-CB 3.65Å; I139-W311 HydrophobicContact CD1-CD2 3.88Å; I139-W311 HydrophobicContact CD1-CG 3.2Å; I139-W311 VanDerWaalsContact CD1-NE1 3.34Å; I139-W311 HydrophobicContact CG1-CG 4.43Å; I307-W311 PolarHBondContact O-N 3.44Å; L308-W311 PolarHBondContact O-N 3.11Å; Y309-W311 VanDerWaalsContact C-N 3.33Å; Y309-W311 PolarHBondContact O-N 2.83Å; W311-K313 VanDerWaalsContact C-N 3.31Å; W311-K313 PolarHBondContact O-N 3.16Å; W311-D314 WeakPolarHBondContact O-CB 3.38Å; W311-D314 PolarHBondContact O-N 3.37Å; W311-C315 PolarHBondContact NE1-SG 2.87Å; W311-C315 VanDerWaalsContact NE1-SG 3.37Å; W311-C315 PolarHBondContact O-N 2.87Å; W311-C315 PolarHBondContact O-SG 3.23Å; W311-C315 VanDerWaalsContact O-SG 3.41Å |
| 312 | K | 87.4 | Confident | 82.2 | Confident | 125 Ų | 125 | 92.5 Ų | 92.5 | 54% | 0.543 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 178.1 | -172.4 | -177.7 | -180 | -166.2 | 0 | 110.8 | L308 Y309 E310 D314 C315 E316 | L308-K312 WeakPolarHBondContact O-CB 3.42Å; L308-K312 PolarHBondContact O-N 3.04Å; Y309-K312 PolarHBondContact O-N 3.17Å; E310-K312 PolarHBondContact O-N 3.37Å; K312-D314 VanDerWaalsContact C-N 3.34Å; K312-D314 PolarHBondContact O-N 2.75Å; K312-C315 WeakPolarHBondContact O-CB 3.36Å; K312-C315 PolarHBondContact O-N 2.95Å; K312-E316 WeakPolarHBondContact CE-OE1 3.46Å; K312-E316 IonicContact NZ-OE1 2.93Å; K312-E316 WeakPolarHBondContact O-CG 3.5Å; K312-E316 PolarHBondContact O-N 3.32Å |
| 313 | K | 88.3 | Confident | 80.3 | Confident | 129 Ų | 129 | 88.4 Ų | 88.4 | 56% | 0.561 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.4 | -42.9 | 176 | -174.2 | -175.9 | 177.4 | -174.1 | 0 | 111.7 | Y309 E310 W311 E316 S317 | Y309-K313 PolarHBondContact O-N 3.42Å; E310-K313 WeakPolarHBondContact O-CB 3.49Å; E310-K313 PolarHBondContact O-N 3.21Å; W311-K313 VanDerWaalsContact C-N 3.31Å; W311-K313 PolarHBondContact O-N 3.16Å; K313-E316 PolarHBondContact O-N 2.67Å; K313-S317 WeakPolarHBondContact O-CB 3.34Å; K313-S317 PolarHBondContact O-N 2.89Å |
| 314 | D | 81.9 | Confident | 78 | Confident | 78 Ų | 78 | 92.8 Ų | 92.8 | 42% | 0.417 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 175 | -83.2 | 10.4 | 0 | 0 | 0 | 111.6 | K135 E310 W311 K312 S317 A318 | K135-D314 IonicContact NZ-OD2 3.99Å; E310-D314 PolarHBondContact O-N 3.35Å; W311-D314 WeakPolarHBondContact O-CB 3.38Å; W311-D314 PolarHBondContact O-N 3.37Å; K312-D314 VanDerWaalsContact C-N 3.34Å; K312-D314 PolarHBondContact O-N 2.75Å; D314-S317 PolarHBondContact O-N 3.33Å; D314-S317 PolarHBondContact O-OG 3.29Å; D314-A318 PolarHBondContact O-N 3.48Å |
| 315 | C | 79.6 | Confident | 75.8 | Confident | 34 Ų | 34 | 98.4 Ų | 98.4 | 23% | 0.23 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 176.4 | -73.3 | 0 | 0 | 0 | 0 | 112.6 | W311 K312 A318 Q319 | W311-C315 PolarHBondContact NE1-SG 2.87Å; W311-C315 VanDerWaalsContact NE1-SG 3.37Å; W311-C315 PolarHBondContact O-N 2.87Å; W311-C315 PolarHBondContact O-SG 3.23Å; W311-C315 VanDerWaalsContact O-SG 3.41Å; K312-C315 WeakPolarHBondContact O-CB 3.36Å; K312-C315 PolarHBondContact O-N 2.95Å; C315-A318 PolarHBondContact O-N 3.49Å; C315-Q319 WeakPolarHBondContact O-CG 3.44Å; C315-Q319 PolarHBondContact O-N 2.96Å |
| 316 | E | 82.9 | Confident | 73.5 | Confident | 90 Ų | 90 | 102.6 Ų | 102.6 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 176.9 | -72.9 | 173 | -176.7 | 0 | 0 | 111.4 | K312 K313 A318 Q319 N320 | K312-E316 WeakPolarHBondContact CE-OE1 3.46Å; K312-E316 IonicContact NZ-OE1 2.93Å; K312-E316 WeakPolarHBondContact O-CG 3.5Å; K312-E316 PolarHBondContact O-N 3.32Å; K313-E316 PolarHBondContact O-N 2.67Å; E316-A318 VanDerWaalsContact C-N 3.31Å; E316-A318 PolarHBondContact O-N 3.39Å; E316-Q319 PolarHBondContact O-N 3.5Å; E316-N320 PolarHBondContact O-N 3.03Å; E316-N320 PolarHBondContact O-ND2 2.84Å |
| 317 | S | 76.5 | Confident | 72.6 | Confident | 71 Ų | 71 | 103 Ų | 103 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -39 | 176.1 | 76.9 | 0 | 0 | 0 | 0 | 112.4 | K313 D314 N320 S321 | K313-S317 WeakPolarHBondContact O-CB 3.34Å; K313-S317 PolarHBondContact O-N 2.89Å; D314-S317 PolarHBondContact O-N 3.33Å; D314-S317 PolarHBondContact O-OG 3.29Å; S317-N320 PolarHBondContact O-N 3.36Å; S317-S321 PolarHBondContact O-N 2.9Å; S317-S321 VanDerWaalsContact O-N 3.11Å |
| 318 | A | 70.9 | Confident | 71.7 | Confident | 52 Ų | 52 | 106.7 Ų | 106.7 | 43% | 0.43 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | D314 C315 E316 S321 K322 | D314-A318 PolarHBondContact O-N 3.48Å; C315-A318 PolarHBondContact O-N 3.49Å; E316-A318 VanDerWaalsContact C-N 3.31Å; E316-A318 PolarHBondContact O-N 3.39Å; A318-S321 PolarHBondContact O-N 3.05Å; A318-S321 PolarHBondContact O-OG 3.44Å; A318-K322 PolarHBondContact O-N 3.17Å |
| 319 | Q | 68.2 | Low | 70.7 | Confident | 132 Ų | 132 | 108.2 Ų | 108.2 | 62% | 0.617 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.6 | -43.4 | 175.6 | -73.9 | 178.5 | -10.5 | 0 | 0 | 112.3 | C315 E316 S321 K322 S323 | C315-Q319 WeakPolarHBondContact O-CG 3.44Å; C315-Q319 PolarHBondContact O-N 2.96Å; E316-Q319 PolarHBondContact O-N 3.5Å; Q319-S321 VanDerWaalsContact C-N 3.26Å; Q319-S321 PolarHBondContact O-N 3.43Å; Q319-K322 WeakPolarHBondContact O-CB 3.24Å; Q319-K322 PolarHBondContact O-N 3.13Å; Q319-K322 VanDerWaalsContact O-N 3.08Å; Q319-S323 PolarHBondContact O-N 2.82Å |
| 320 | N | 69.2 | Low | 69.6 | Low | 105 Ų | 105 | 105.4 Ų | 105.4 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.3 | -29.8 | 177.1 | -70.1 | -21.5 | 0 | 0 | 0 | 112.6 | E316 S317 K322 S323 | E316-N320 PolarHBondContact O-N 3.03Å; E316-N320 PolarHBondContact O-ND2 2.84Å; S317-N320 PolarHBondContact O-N 3.36Å; N320-K322 VanDerWaalsContact C-N 3.31Å; N320-S323 PolarHBondContact O-N 2.82Å; N320-S323 PolarHBondContact O-OG 2.68Å |
| 321 | S | 58.1 | Low | 68.3 | Low | 61 Ų | 61 | 104.4 Ų | 104.4 | 43% | 0.427 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.9 | -29.7 | 173.5 | 73.2 | 0 | 0 | 0 | 0 | 112.9 | S317 A318 Q319 | S317-S321 PolarHBondContact O-N 2.9Å; S317-S321 VanDerWaalsContact O-N 3.11Å; A318-S321 PolarHBondContact O-N 3.05Å; A318-S321 PolarHBondContact O-OG 3.44Å; Q319-S321 VanDerWaalsContact C-N 3.26Å; Q319-S321 PolarHBondContact O-N 3.43Å |
| 322 | K | 57.4 | Low | 67.2 | Low | 124 Ų | 124 | 105.3 Ų | 105.3 | 54% | 0.539 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73.9 | -31.2 | 175.8 | -76.5 | -176.1 | 176 | -177.8 | 0 | 113.1 | A318 Q319 N320 L324 L325 | A318-K322 PolarHBondContact O-N 3.17Å; Q319-K322 WeakPolarHBondContact O-CB 3.24Å; Q319-K322 PolarHBondContact O-N 3.13Å; Q319-K322 VanDerWaalsContact O-N 3.08Å; N320-K322 VanDerWaalsContact C-N 3.31Å; K322-L324 VanDerWaalsContact C-N 3.26Å; K322-L324 PolarHBondContact O-N 3.06Å; K322-L325 PolarHBondContact O-N 2.96Å |
| 323 | S | 52.7 | Low | 65.7 | Low | 78 Ų | 78 | 103.9 Ų | 103.9 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -74.1 | -16.1 | 178.2 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | Q319 N320 | Q319-S323 PolarHBondContact O-N 2.82Å; N320-S323 PolarHBondContact O-N 2.82Å; N320-S323 PolarHBondContact O-OG 2.68Å |
| 324 | L | 43.4 | Very low | 64 | Low | 151 Ų | 151 | 102 Ų | 102 | 79% | 0.791 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -8.4 | 175.7 | -70.1 | 168.7 | 0 | 0 | 0 | 113.6 | K322 | K322-L324 VanDerWaalsContact C-N 3.26Å; K322-L324 PolarHBondContact O-N 3.06Å |
| 325 | L | 47.4 | Very low | 62.5 | Low | 144 Ų | 144 | 104 Ų | 104 | 75% | 0.754 | 58% | 0.576 | S | S | * | * | trans | -108.3 | -6.3 | -176.3 | -78.6 | 163.1 | 0 | 0 | 0 | 113.9 | K322 | K322-L325 PolarHBondContact O-N 2.96Š| ||
| 326 | N | 44 | Very low | 61 | Low | 206 Ų | 206 | 110.4 Ų | 110.4 | 100% | 1.102 | 61% | 0.607 | S | S | * | * | trans | -100.7 | 0 | 166.1 | -72.3 | -16.8 | 0 | 0 | 0 | 108.9 |
Retrieved 326 of 326 residues in 295.3 ms
(Link to these results)