| 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 | 46.7 | Very low | 70.8 | Confident | 242 Ų | 242 | 116.1 Ų | 116.1 | 100% | 1.192 | 57% | 0.566 | S | S | * | * | 0 | 105.5 | 0 | -115.8 | 160.2 | -169 | 0 | 0 | 107.3 | R3 | M1-R3 PolarHBondContact O-N 3.44Š| |||
| 2 | E | 55 | Low | 72 | Confident | 190 Ų | 190 | 108.9 Ų | 108.9 | 89% | 0.888 | 53% | 0.532 | S | S | * | . | trans | -63.4 | 121.1 | 178.7 | -73 | 178.6 | 156.7 | 0 | 0 | 109 | M4 | E2-M4 PolarHBondContact O-N 3.38Å; E2-M4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | R | 65.6 | Low | 73 | Confident | 193 Ų | 193 | 110.4 Ų | 110.4 | 73% | 0.728 | 54% | 0.537 | S | S | * | . | trans | -67.6 | 103.9 | 178.3 | -84.3 | -175.9 | -169.6 | 153.1 | 2.7 | 108.4 | M1 N5 H16 | M1-R3 PolarHBondContact O-N 3.44Å; R3-N5 PolarHBondContact O-N 3.13Å; R3-H16 VanDerWaalsContact CB-CE1 3.44Å; R3-H16 WeakPolarHBondContact CB-CE1 3.12Å | ||
| 4 | M | 72.9 | Confident | 74 | Confident | 148 Ų | 148 | 105.9 Ų | 105.9 | 73% | 0.729 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 126.3 | 177.9 | -68.2 | -176.3 | 72.9 | 0 | 0 | 110.2 | E2 K15 | E2-M4 PolarHBondContact O-N 3.38Å; E2-M4 VanDerWaalsContact O-N 3.08Å; M4-K15 WeakPolarHBondContact O-CE 3.42Å |
| 5 | N | 75.1 | Confident | 74.9 | Confident | 122 Ų | 122 | 101.1 Ų | 101.1 | 65% | 0.652 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 143.9 | 174.7 | -66.9 | -38.3 | 0 | 0 | 0 | 110.2 | R3 N12 | R3-N5 PolarHBondContact O-N 3.13Å; N5-N12 WeakPolarHBondContact CA-OD1 3.32Å; N5-N12 PolarHBondContact OD1-ND2 3.06Å |
| 6 | S | 70.8 | Confident | 75.6 | Confident | 15 Ų | 15 | 97.8 Ų | 97.8 | 11% | 0.105 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 164.3 | 166.4 | -170.5 | 0 | 0 | 0 | 0 | 110.4 | S8 N12 Y46 | S6-S8 PolarHBondContact O-N 3.27Å; S6-S8 VanDerWaalsContact O-N 3.09Å; S6-N12 WeakPolarHBondContact CB-OD1 3.49Å; S6-N12 PolarHBondContact N-OD1 3.31Å; S6-Y46 PolarHBondContact OG-OH 3.19Å |
| 7 | I | 75.3 | Confident | 76.3 | Confident | 81 Ų | 81 | 98.5 Ų | 98.5 | 42% | 0.415 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -55.3 | -26.3 | 177.3 | -166 | 169.1 | 0 | 0 | 0 | 113 | V50 A53 L54 I59 | I7-V50 HydrophobicContact CG2-CG1 4.43Å; I7-A53 HydrophobicContact CG2-CB 3.95Å; I7-L54 HydrophobicContact CD1-CD1 3.91Å; I7-I59 HydrophobicContact CD1-CD1 3.81Å |
| 8 | S | 72.2 | Confident | 76.9 | Confident | 15 Ų | 15 | 95.3 Ų | 95.3 | 11% | 0.105 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -124.2 | 134.9 | 172.6 | 178 | 0 | 0 | 0 | 0 | 110.5 | S6 K10 C11 | S6-S8 PolarHBondContact O-N 3.27Å; S6-S8 VanDerWaalsContact O-N 3.09Å; S8-K10 PolarHBondContact O-N 2.72Å; S8-K10 VanDerWaalsContact O-N 3.1Å; S8-K10 PolarHBondContact OG-N 3.2Å; S8-C11 PolarHBondContact O-N 3.38Å |
| 9 | P | 80.6 | Confident | 77.5 | Confident | 107 Ų | 107 | 92.6 Ų | 92.6 | 70% | 0.695 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -60.2 | -23.5 | 177.2 | 24.8 | -33.9 | 0 | 0 | 0 | 112.5 | C11 N12 | P9-C11 VanDerWaalsContact C-N 3.26Å; P9-C11 PolarHBondContact O-N 3.13Å; P9-N12 PolarHBondContact O-N 3.04Å |
| 10 | K | 81.3 | Confident | 78 | Confident | 163 Ų | 163 | 90.4 Ų | 90.4 | 71% | 0.709 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -65.5 | -27.7 | 175.9 | -65 | 179.7 | -177.6 | 168.9 | 0 | 112.9 | S8 | S8-K10 PolarHBondContact O-N 2.72Å; S8-K10 VanDerWaalsContact O-N 3.1Å; S8-K10 PolarHBondContact OG-N 3.2Å |
| 11 | C | 83.9 | Confident | 78.6 | Confident | 1 Ų | 1 | 87.6 Ų | 87.6 | 1% | 0.007 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -97.9 | -0.5 | -176.7 | -50 | 0 | 0 | 0 | 0 | 113.1 | S8 P9 E13 L14 K15 Y46 C49 | S8-C11 PolarHBondContact O-N 3.38Å; P9-C11 VanDerWaalsContact C-N 3.26Å; P9-C11 PolarHBondContact O-N 3.13Å; C11-E13 PolarHBondContact O-N 2.8Å; C11-L14 PolarHBondContact O-N 3.01Å; C11-K15 WeakPolarHBondContact O-CB 3.39Å; C11-K15 PolarHBondContact O-N 2.91Å; C11-Y46 HydrophobicContact CB-CD2 4.43Å; C11-Y46 HydrophobicContact CB-CE2 4.22Å; C11-C49 VanDerWaalsContact CA-SG 3.52Å; C11-C49 HydrophobicContact CB-CB 4Å; C11-C49 WeakPolarHBondContact CB-SG 3.47Å; C11-C49 WeakPolarHBondContact SG-CB 3.5Å; C11-C49 PolarHBondContact SG-O 3.16Å; C11-C49 VanDerWaalsContact SG-O 3.41Å; C11-C49 CovalentContact SG-SG 2.04Å; C11-C49 PolarHBondContact SG-SG 3.14Å |
| 12 | N | 84.2 | Confident | 80.6 | Confident | 30 Ų | 30 | 79.4 Ų | 79.4 | 16% | 0.16 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | -178.5 | -80.1 | -2.9 | 0 | 0 | 0 | 112.6 | N5 S6 P9 K15 H16 | N5-N12 WeakPolarHBondContact CA-OD1 3.32Å; N5-N12 PolarHBondContact OD1-ND2 3.06Å; S6-N12 WeakPolarHBondContact CB-OD1 3.49Å; S6-N12 PolarHBondContact N-OD1 3.31Å; P9-N12 PolarHBondContact O-N 3.04Å; N12-K15 WeakPolarHBondContact O-CB 3.4Å; N12-K15 PolarHBondContact O-N 3.34Å; N12-H16 PolarHBondContact O-CD2 3.42Å; N12-H16 VanDerWaalsContact O-CG 3.3Å; N12-H16 PolarHBondContact O-N 3.18Å |
| 13 | E | 86.1 | Confident | 82.1 | Confident | 128 Ų | 128 | 75 Ų | 75 | 60% | 0.598 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.2 | -43.4 | -179.1 | -163 | -167.3 | 148.2 | 0 | 0 | 111.7 | C11 K15 H16 K17 | C11-E13 PolarHBondContact O-N 2.8Å; E13-K15 VanDerWaalsContact C-N 3.35Å; E13-H16 PolarHBondContact O-N 3.34Å; E13-K17 WeakPolarHBondContact O-CG 3.32Å; E13-K17 PolarHBondContact O-N 2.76Å; E13-K17 VanDerWaalsContact O-N 3.12Å; E13-K17 WeakPolarHBondContact OE1-CE 3.44Å; E13-K17 IonicContact OE1-NZ 2.72Å; E13-K17 PolarHBondContact OE1-NZ 2.88Å |
| 14 | L | 85.9 | Confident | 83.2 | Confident | 48 Ų | 48 | 70.9 Ų | 70.9 | 25% | 0.251 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 175.6 | -72.9 | 170.7 | 0 | 0 | 0 | 111.5 | C11 H16 K17 Y18 L45 Y46 C49 | C11-L14 PolarHBondContact O-N 3.01Å; L14-H16 PolarHBondContact O-N 2.9Å; L14-K17 PolarHBondContact O-N 3Å; L14-Y18 WeakPolarHBondContact O-CB 3.28Å; L14-Y18 PolarHBondContact O-N 3.15Å; L14-L45 HydrophobicContact CD2-CB 4.32Å; L14-Y46 HydrophobicContact CB-CD2 4.16Å; L14-C49 HydrophobicContact CD1-CB 4.04Å |
| 15 | K | 87.6 | Confident | 83.9 | Confident | 33 Ų | 33 | 65.2 Ų | 65.2 | 14% | 0.143 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.3 | -47.7 | 174.6 | -179 | 169 | 171.2 | 42.5 | 0 | 111.4 | M4 C11 N12 E13 K17 Y18 D19 Y46 | M4-K15 WeakPolarHBondContact O-CE 3.42Å; C11-K15 WeakPolarHBondContact O-CB 3.39Å; C11-K15 PolarHBondContact O-N 2.91Å; N12-K15 WeakPolarHBondContact O-CB 3.4Å; N12-K15 PolarHBondContact O-N 3.34Å; E13-K15 VanDerWaalsContact C-N 3.35Å; K15-K17 PolarHBondContact O-N 3.48Å; K15-Y18 PolarHBondContact O-N 2.91Å; K15-D19 WeakPolarHBondContact CE-OD2 3.24Å; K15-D19 WeakPolarHBondContact CG-OD2 3.34Å; K15-D19 IonicContact NZ-OD1 2.82Å; K15-D19 PolarHBondContact NZ-OD1 3.45Å; K15-D19 VanDerWaalsContact NZ-OD1 3.14Å; K15-D19 IonicContact NZ-OD2 3.93Å; K15-D19 PolarHBondContact NZ-OD2 2.85Å; K15-D19 WeakPolarHBondContact O-CB 3.5Å; K15-D19 VanDerWaalsContact O-CG 3.22Å; K15-D19 PolarHBondContact O-N 2.89Å; K15-Y46 HydrophobicContact CB-CD2 4.09Å; K15-Y46 HydrophobicContact CB-CE2 3.55Å; K15-Y46 HydrophobicContact CD-CE2 4.46Å; K15-Y46 HydrophobicContact CG-CE2 4.14Å |
| 16 | H | 87 | Confident | 84.4 | Confident | 48 Ų | 48 | 63.3 Ų | 63.3 | 22% | 0.222 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.6 | -36 | -179 | -64.8 | -33.6 | 0 | 0 | 0 | 113 | R3 N12 E13 L14 A20 | R3-H16 VanDerWaalsContact CB-CE1 3.44Å; R3-H16 WeakPolarHBondContact CB-CE1 3.12Å; N12-H16 PolarHBondContact O-CD2 3.42Å; N12-H16 VanDerWaalsContact O-CG 3.3Å; N12-H16 PolarHBondContact O-N 3.18Å; E13-H16 PolarHBondContact O-N 3.34Å; L14-H16 PolarHBondContact O-N 2.9Å; H16-A20 VanDerWaalsContact O-CB 3.28Å; H16-A20 WeakPolarHBondContact O-CB 3.09Å; H16-A20 PolarHBondContact O-N 3.41Å |
| 17 | K | 87.1 | Confident | 85.1 | Confident | 110 Ų | 110 | 65.2 Ų | 65.2 | 48% | 0.478 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 173.3 | -71.2 | 177.8 | -173.3 | 167.2 | 0 | 111.4 | E13 L14 K15 C21 I42 | E13-K17 WeakPolarHBondContact O-CG 3.32Å; E13-K17 PolarHBondContact O-N 2.76Å; E13-K17 VanDerWaalsContact O-N 3.12Å; E13-K17 WeakPolarHBondContact OE1-CE 3.44Å; E13-K17 IonicContact OE1-NZ 2.72Å; E13-K17 PolarHBondContact OE1-NZ 2.88Å; L14-K17 PolarHBondContact O-N 3Å; K15-K17 PolarHBondContact O-N 3.48Å; K17-C21 WeakPolarHBondContact O-CB 3.1Å; K17-C21 PolarHBondContact O-N 2.99Å; K17-C21 VanDerWaalsContact O-N 3.11Å; K17-I42 HydrophobicContact CB-CG2 4.27Å |
| 18 | Y | 87.4 | Confident | 85.4 | Confident | 41 Ų | 41 | 67 Ų | 67 | 16% | 0.161 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.2 | -49.8 | 176.4 | 175.9 | -102.4 | 0 | 0 | 0 | 112.1 | L14 K15 A20 C21 F22 C39 F43 | L14-Y18 WeakPolarHBondContact O-CB 3.28Å; L14-Y18 PolarHBondContact O-N 3.15Å; K15-Y18 PolarHBondContact O-N 2.91Å; Y18-A20 VanDerWaalsContact C-N 3.3Å; Y18-A20 PolarHBondContact O-N 3.43Å; Y18-C21 PolarHBondContact O-N 2.05Å; Y18-F22 HydrophobicContact CE1-CB 4.28Å; Y18-F22 HydrophobicContact CE2-CB 4.48Å; Y18-F22 VanDerWaalsContact O-CB 3.29Å; Y18-F22 WeakPolarHBondContact O-CB 3.28Å; Y18-F22 PolarHBondContact O-N 3.23Å; Y18-C39 HydrophobicContact CD2-CB 4.43Å; Y18-C39 HydrophobicContact CE2-CB 4.24Å; Y18-F43 HydrophobicContact CD2-CB 3.84Å; Y18-F43 AromaticContact CD2-CD2 3.99Å; Y18-F43 HydrophobicContact CD2-CD2 3.99Å; Y18-F43 HydrophobicContact CD2-CG 4.4Å; Y18-F43 HydrophobicContact CE1-CD2 4.02Å; Y18-F43 HydrophobicContact CE1-CE2 4.44Å; Y18-F43 HydrophobicContact CE2-CB 3.56Å; Y18-F43 AromaticContact CE2-CD2 3.44Å; Y18-F43 HydrophobicContact CE2-CD2 3.44Å; Y18-F43 VanDerWaalsContact CE2-CD2 3.44Å; Y18-F43 HydrophobicContact CE2-CE2 4.47Å; Y18-F43 AromaticContact CE2-CG 3.85Å; Y18-F43 HydrophobicContact CE2-CG 3.85Å; Y18-F43 HydrophobicContact CG-CD2 4.5Å; Y18-F43 AromaticContact CZ-CD2 3.44Å; Y18-F43 VanDerWaalsContact CZ-CD2 3.44Å |
| 19 | D | 88.7 | Confident | 85.7 | Confident | 44 Ų | 44 | 71.7 Ų | 71.7 | 24% | 0.235 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.7 | -39.5 | -179 | -71.3 | -9.7 | 0 | 0 | 0 | 111.2 | K15 N23 | K15-D19 WeakPolarHBondContact CE-OD2 3.24Å; K15-D19 WeakPolarHBondContact CG-OD2 3.34Å; K15-D19 IonicContact NZ-OD1 2.82Å; K15-D19 PolarHBondContact NZ-OD1 3.45Å; K15-D19 VanDerWaalsContact NZ-OD1 3.14Å; K15-D19 IonicContact NZ-OD2 3.93Å; K15-D19 PolarHBondContact NZ-OD2 2.85Å; K15-D19 WeakPolarHBondContact O-CB 3.5Å; K15-D19 VanDerWaalsContact O-CG 3.22Å; K15-D19 PolarHBondContact O-N 2.89Å; D19-N23 WeakPolarHBondContact O-CB 3.49Å; D19-N23 PolarHBondContact O-N 3.21Å; D19-N23 PolarHBondContact O-ND2 3.4Å |
| 20 | A | 87.7 | Confident | 85.8 | Confident | 49 Ų | 49 | 71.7 Ų | 71.7 | 41% | 0.405 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.1 | -50.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | H16 Y18 F22 N23 D24 | H16-A20 VanDerWaalsContact O-CB 3.28Å; H16-A20 WeakPolarHBondContact O-CB 3.09Å; H16-A20 PolarHBondContact O-N 3.41Å; Y18-A20 VanDerWaalsContact C-N 3.3Å; Y18-A20 PolarHBondContact O-N 3.43Å; A20-F22 VanDerWaalsContact C-N 3.33Å; A20-F22 PolarHBondContact O-N 3.09Å; A20-N23 PolarHBondContact O-N 3.11Å; A20-D24 PolarHBondContact O-N 3.01Å; A20-D24 VanDerWaalsContact O-N 3.09Å |
| 21 | C | 89.1 | Confident | 85.9 | Confident | 31 Ų | 31 | 69.6 Ų | 69.6 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 176.9 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | K17 Y18 D24 W25 C39 I42 | K17-C21 WeakPolarHBondContact O-CB 3.1Å; K17-C21 PolarHBondContact O-N 2.99Å; K17-C21 VanDerWaalsContact O-N 3.11Å; Y18-C21 PolarHBondContact O-N 2.05Å; C21-D24 PolarHBondContact O-N 3.04Å; C21-W25 WeakPolarHBondContact O-CB 3.49Å; C21-W25 PolarHBondContact O-N 3.28Å; C21-C39 HydrophobicContact CB-CB 4Å; C21-C39 WeakPolarHBondContact CB-SG 3.41Å; C21-C39 PolarHBondContact O-SG 3.37Å; C21-C39 VanDerWaalsContact SG-CA 3.51Å; C21-C39 WeakPolarHBondContact SG-CB 3.32Å; C21-C39 CovalentContact SG-SG 2.05Å; C21-C39 PolarHBondContact SG-SG 2.97Å; C21-I42 HydrophobicContact CB-CD1 4.3Å |
| 22 | F | 89 | Confident | 85.6 | Confident | 70 Ų | 70 | 77.3 Ų | 77.3 | 31% | 0.307 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | -178.1 | 178.1 | -95.6 | 0 | 0 | 0 | 111.8 | Y18 A20 W25 F26 | Y18-F22 HydrophobicContact CE1-CB 4.28Å; Y18-F22 HydrophobicContact CE2-CB 4.48Å; Y18-F22 VanDerWaalsContact O-CB 3.29Å; Y18-F22 WeakPolarHBondContact O-CB 3.28Å; Y18-F22 PolarHBondContact O-N 3.23Å; A20-F22 VanDerWaalsContact C-N 3.33Å; A20-F22 PolarHBondContact O-N 3.09Å; F22-W25 HydrophobicContact CD2-CE3 4.12Å; F22-W25 HydrophobicContact CD2-CZ3 4.33Å; F22-W25 HydrophobicContact CE2-CE3 4.16Å; F22-W25 AromaticContact CE2-CZ3 3.96Å; F22-W25 HydrophobicContact CE2-CZ3 3.96Å; F22-W25 PolarHBondContact O-N 2.95Å; F22-F26 HydrophobicContact CE1-CB 4.41Å; F22-F26 HydrophobicContact CZ-CD2 4.27Å; F22-F26 WeakPolarHBondContact O-CB 3.34Å; F22-F26 PolarHBondContact O-N 3.46Å |
| 23 | N | 87.1 | Confident | 85.4 | Confident | 97 Ų | 97 | 79.2 Ų | 79.2 | 52% | 0.519 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 177.7 | -72.7 | -29.9 | 0 | 0 | 0 | 111.7 | D19 A20 A27 | D19-N23 WeakPolarHBondContact O-CB 3.49Å; D19-N23 PolarHBondContact O-N 3.21Å; D19-N23 PolarHBondContact O-ND2 3.4Å; A20-N23 PolarHBondContact O-N 3.11Å; N23-A27 VanDerWaalsContact O-CB 3.24Å; N23-A27 WeakPolarHBondContact O-CB 3.44Å; N23-A27 PolarHBondContact O-N 3.36Å |
| 24 | D | 87.7 | Confident | 84.8 | Confident | 108 Ų | 108 | 75.6 Ų | 75.6 | 58% | 0.578 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.2 | -46.1 | 176.9 | -67.7 | -14.7 | 0 | 0 | 0 | 111 | A20 C21 A27 E28 | A20-D24 PolarHBondContact O-N 3.01Å; A20-D24 VanDerWaalsContact O-N 3.09Å; C21-D24 PolarHBondContact O-N 3.04Å; D24-A27 PolarHBondContact O-N 3.35Å; D24-E28 WeakPolarHBondContact O-CB 3.32Å; D24-E28 WeakPolarHBondContact O-CG 3.47Å; D24-E28 PolarHBondContact O-N 3.12Å |
| 25 | W | 87.7 | Confident | 84.3 | Confident | 28 Ų | 28 | 77.9 Ų | 77.9 | 11% | 0.106 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 177 | 174.6 | 81.2 | 0 | 0 | 0 | 112.4 | C21 F22 R29 F30 E36 D37 | C21-W25 WeakPolarHBondContact O-CB 3.49Å; C21-W25 PolarHBondContact O-N 3.28Å; F22-W25 HydrophobicContact CD2-CE3 4.12Å; F22-W25 HydrophobicContact CD2-CZ3 4.33Å; F22-W25 HydrophobicContact CE2-CE3 4.16Å; F22-W25 AromaticContact CE2-CZ3 3.96Å; F22-W25 HydrophobicContact CE2-CZ3 3.96Å; F22-W25 PolarHBondContact O-N 2.95Å; W25-R29 HydrophobicContact CG-CB 4.49Å; W25-R29 WeakPolarHBondContact O-CA 3.48Å; W25-R29 WeakPolarHBondContact O-CB 3.35Å; W25-R29 PolarHBondContact O-N 3.35Å; W25-F30 HydrophobicContact CE3-CB 4.32Å; W25-F30 HydrophobicContact CH2-CB 4.1Å; W25-F30 AromaticContact CH2-CD2 3.55Å; W25-F30 HydrophobicContact CH2-CD2 3.55Å; W25-F30 HydrophobicContact CH2-CE2 4.31Å; W25-F30 HydrophobicContact CH2-CG 4.07Å; W25-F30 HydrophobicContact CZ2-CB 4.29Å; W25-F30 HydrophobicContact CZ2-CD2 4.02Å; W25-F30 HydrophobicContact CZ3-CB 4.1Å; W25-F30 HydrophobicContact CZ3-CD2 4.14Å; W25-F30 HydrophobicContact CZ3-CG 4.23Å; W25-F30 PolarHBondContact O-N 3.49Å; W25-E36 PolarHBondContact NE1-O 2.79Å; W25-D37 VanDerWaalsContact CH2-OD1 3.29Å; W25-D37 WeakPolarHBondContact CH2-OD1 3.42Å; W25-D37 WeakPolarHBondContact CZ2-OD1 3.2Å |
| 26 | F | 86.2 | Confident | 83.8 | Confident | 82 Ų | 82 | 82.8 Ų | 82.8 | 36% | 0.36 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 178.6 | -173.9 | -100.4 | 0 | 0 | 0 | 111 | F22 F30 L31 | F22-F26 HydrophobicContact CE1-CB 4.41Å; F22-F26 HydrophobicContact CZ-CD2 4.27Å; F22-F26 WeakPolarHBondContact O-CB 3.34Å; F22-F26 PolarHBondContact O-N 3.46Å; F26-F30 HydrophobicContact CD2-CB 4.22Å; F26-F30 AromaticContact CD2-CD1 3.63Å; F26-F30 HydrophobicContact CD2-CD1 3.63Å; F26-F30 HydrophobicContact CD2-CE1 4.35Å; F26-F30 HydrophobicContact CD2-CG 4.15Å; F26-F30 AromaticContact CE2-CD1 3.47Å; F26-F30 HydrophobicContact CE2-CD1 3.47Å; F26-F30 VanDerWaalsContact CE2-CD1 3.47Å; F26-F30 AromaticContact CE2-CE1 3.83Å; F26-F30 HydrophobicContact CE2-CE1 3.83Å; F26-F30 HydrophobicContact CE2-CG 4.41Å; F26-F30 HydrophobicContact CZ-CD1 4.42Å; F26-L31 HydrophobicContact CD1-CD1 4.39Å; F26-L31 HydrophobicContact CE1-CD1 4.24Å; F26-L31 HydrophobicContact CE1-CD2 4.45Å; F26-L31 HydrophobicContact CE1-CG 4.33Å; F26-L31 HydrophobicContact CZ-CD2 4.42Å; F26-L31 VanDerWaalsContact O-CG 3.27Å; F26-L31 WeakPolarHBondContact O-CG 3.3Å; F26-L31 PolarHBondContact O-N 3.39Å; F26-L31 VanDerWaalsContact O-N 3.16Å |
| 27 | A | 84.6 | Confident | 83.1 | Confident | 56 Ų | 56 | 85.5 Ų | 85.5 | 46% | 0.463 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.2 | -41 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N23 D24 | N23-A27 VanDerWaalsContact O-CB 3.24Å; N23-A27 WeakPolarHBondContact O-CB 3.44Å; N23-A27 PolarHBondContact O-N 3.36Å; D24-A27 PolarHBondContact O-N 3.35Å |
| 28 | E | 82.6 | Confident | 82.9 | Confident | 118 Ų | 118 | 84.7 Ų | 84.7 | 55% | 0.551 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -97.2 | -30.6 | -171 | -65.1 | -160 | 159.3 | 0 | 0 | 115.2 | D24 K32 | D24-E28 WeakPolarHBondContact O-CB 3.32Å; D24-E28 WeakPolarHBondContact O-CG 3.47Å; D24-E28 PolarHBondContact O-N 3.12Å; E28-K32 WeakPolarHBondContact O-CD 3.48Å; E28-K32 WeakPolarHBondContact O-CE 3.36Å; E28-K32 WeakPolarHBondContact O-CG 3.4Å |
| 29 | R | 78.8 | Confident | 82.8 | Confident | 114 Ų | 114 | 83.1 Ų | 83.1 | 43% | 0.43 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -57.7 | -171.5 | -61 | -60.8 | -179.5 | 112.3 | 0.4 | 111.6 | W25 L31 K32 G33 D34 | W25-R29 HydrophobicContact CG-CB 4.49Å; W25-R29 WeakPolarHBondContact O-CA 3.48Å; W25-R29 WeakPolarHBondContact O-CB 3.35Å; W25-R29 PolarHBondContact O-N 3.35Å; R29-L31 PolarHBondContact O-N 3.35Å; R29-K32 CarbonylContact O-C 3.27Å; R29-K32 WeakPolarHBondContact O-CA 3.46Å; R29-K32 PolarHBondContact O-N 3.07Å; R29-G33 PolarHBondContact O-N 3.32Å; R29-G33 VanDerWaalsContact O-N 3.07Å; R29-D34 CarbonylContact C-O 3.54Å; R29-D34 HydrophobicContact CB-CB 4.1Å; R29-D34 IonicContact NH1-OD2 3.15Å; R29-D34 PolarHBondContact NH1-OD2 3Å; R29-D34 VanDerWaalsContact NH1-OD2 3.15Å; R29-D34 PolarHBondContact O-N 3.07Å |
| 30 | F | 82.9 | Confident | 82.6 | Confident | 106 Ų | 106 | 86 Ų | 86 | 47% | 0.465 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -62.1 | -47.4 | -175.1 | -171.8 | -101.3 | 0 | 0 | 0 | 112.1 | W25 F26 K32 G33 D34 | W25-F30 HydrophobicContact CE3-CB 4.32Å; W25-F30 HydrophobicContact CH2-CB 4.1Å; W25-F30 AromaticContact CH2-CD2 3.55Å; W25-F30 HydrophobicContact CH2-CD2 3.55Å; W25-F30 HydrophobicContact CH2-CE2 4.31Å; W25-F30 HydrophobicContact CH2-CG 4.07Å; W25-F30 HydrophobicContact CZ2-CB 4.29Å; W25-F30 HydrophobicContact CZ2-CD2 4.02Å; W25-F30 HydrophobicContact CZ3-CB 4.1Å; W25-F30 HydrophobicContact CZ3-CD2 4.14Å; W25-F30 HydrophobicContact CZ3-CG 4.23Å; W25-F30 PolarHBondContact O-N 3.49Å; F26-F30 HydrophobicContact CD2-CB 4.22Å; F26-F30 AromaticContact CD2-CD1 3.63Å; F26-F30 HydrophobicContact CD2-CD1 3.63Å; F26-F30 HydrophobicContact CD2-CE1 4.35Å; F26-F30 HydrophobicContact CD2-CG 4.15Å; F26-F30 AromaticContact CE2-CD1 3.47Å; F26-F30 HydrophobicContact CE2-CD1 3.47Å; F26-F30 VanDerWaalsContact CE2-CD1 3.47Å; F26-F30 AromaticContact CE2-CE1 3.83Å; F26-F30 HydrophobicContact CE2-CE1 3.83Å; F26-F30 HydrophobicContact CE2-CG 4.41Å; F26-F30 HydrophobicContact CZ-CD1 4.42Å; F30-K32 PolarHBondContact O-N 3.08Å; F30-G33 PolarHBondContact O-N 3.42Å; F30-D34 WeakPolarHBondContact CA-O 3.44Å |
| 31 | L | 82.2 | Confident | 82.6 | Confident | 120 Ų | 120 | 87.2 Ų | 87.2 | 63% | 0.628 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -66.5 | -19.2 | 175.6 | -72.2 | 175.7 | 0 | 0 | 0 | 113.8 | F26 R29 | F26-L31 HydrophobicContact CD1-CD1 4.39Å; F26-L31 HydrophobicContact CE1-CD1 4.24Å; F26-L31 HydrophobicContact CE1-CD2 4.45Å; F26-L31 HydrophobicContact CE1-CG 4.33Å; F26-L31 HydrophobicContact CZ-CD2 4.42Å; F26-L31 VanDerWaalsContact O-CG 3.27Å; F26-L31 WeakPolarHBondContact O-CG 3.3Å; F26-L31 PolarHBondContact O-N 3.39Å; F26-L31 VanDerWaalsContact O-N 3.16Å; R29-L31 PolarHBondContact O-N 3.35Å |
| 32 | K | 77.7 | Confident | 82.4 | Confident | 162 Ų | 162 | 88.3 Ų | 88.3 | 70% | 0.704 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -96.7 | 2.5 | 177.4 | -60.2 | -169.3 | -162.8 | 155.2 | 0 | 113.5 | E28 R29 F30 | E28-K32 WeakPolarHBondContact O-CD 3.48Å; E28-K32 WeakPolarHBondContact O-CE 3.36Å; E28-K32 WeakPolarHBondContact O-CG 3.4Å; R29-K32 CarbonylContact O-C 3.27Å; R29-K32 WeakPolarHBondContact O-CA 3.46Å; R29-K32 PolarHBondContact O-N 3.07Å; F30-K32 PolarHBondContact O-N 3.08Å |
| 33 | G | 80 | Confident | 82.4 | Confident | 71 Ų | 71 | 88.5 Ų | 88.5 | 73% | 0.732 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.6 | 9.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | R29 F30 | R29-G33 PolarHBondContact O-N 3.32Å; R29-G33 VanDerWaalsContact O-N 3.07Å; F30-G33 PolarHBondContact O-N 3.42Å |
| 34 | D | 74.3 | Confident | 82.3 | Confident | 52 Ų | 52 | 88.1 Ų | 88.1 | 28% | 0.278 | 47% | 0.465 | S | S | . | . | trans | -94.6 | 126.5 | 174.4 | -171.2 | 2.9 | 0 | 0 | 0 | 109.9 | R29 F30 E36 | R29-D34 CarbonylContact C-O 3.54Å; R29-D34 HydrophobicContact CB-CB 4.1Å; R29-D34 IonicContact NH1-OD2 3.15Å; R29-D34 PolarHBondContact NH1-OD2 3Å; R29-D34 VanDerWaalsContact NH1-OD2 3.15Å; R29-D34 PolarHBondContact O-N 3.07Å; F30-D34 WeakPolarHBondContact CA-O 3.44Å; D34-E36 PolarHBondContact OD1-N 2.68Å | ||
| 35 | S | 75.2 | Confident | 82.3 | Confident | 95 Ų | 95 | 87.5 Ų | 87.5 | 66% | 0.664 | 46% | 0.461 | S | S | * | . | trans | -106.7 | 10.6 | -171.7 | 66.2 | 0 | 0 | 0 | 0 | 114 | D37 | S35-D37 PolarHBondContact O-N 3.15Š| ||
| 36 | E | 76.5 | Confident | 82.3 | Confident | 137 Ų | 137 | 88 Ų | 88 | 64% | 0.64 | 46% | 0.463 | S | S | * | . | trans | -78.7 | 115 | 179.6 | -72 | -170.3 | 169.9 | 0 | 0 | 111.9 | W25 D34 V38 | W25-E36 PolarHBondContact NE1-O 2.79Å; D34-E36 PolarHBondContact OD1-N 2.68Å; E36-V38 PolarHBondContact O-N 2.94Å | ||
| 37 | D | 73.6 | Confident | 82.3 | Confident | 104 Ų | 104 | 87.3 Ų | 87.3 | 56% | 0.556 | 46% | 0.462 | S | S | * | . | trans | -76.1 | 79.6 | -178 | -67 | -35.7 | 0 | 0 | 0 | 112.8 | W25 S35 C39 Q40 | W25-D37 VanDerWaalsContact CH2-OD1 3.29Å; W25-D37 WeakPolarHBondContact CH2-OD1 3.42Å; W25-D37 WeakPolarHBondContact CZ2-OD1 3.2Å; S35-D37 PolarHBondContact O-N 3.15Å; D37-C39 PolarHBondContact O-N 3.41Å; D37-C39 VanDerWaalsContact O-N 3.14Å; D37-Q40 HydrophobicContact CB-CB 4.19Å; D37-Q40 WeakPolarHBondContact O-CB 3.27Å; D37-Q40 PolarHBondContact O-N 2.75Å | ||
| 38 | V | 82 | Confident | 82.4 | Confident | 94 Ų | 94 | 90.8 Ų | 90.8 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26.2 | 177.9 | -169.6 | 0 | 0 | 0 | 0 | 112.4 | E36 | E36-V38 PolarHBondContact O-N 2.94Š|
| 39 | C | 85.1 | Confident | 82.6 | Confident | 8 Ų | 8 | 86.6 Ų | 86.6 | 5% | 0.054 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -1.8 | -175.8 | -53.2 | 0 | 0 | 0 | 0 | 114.2 | Y18 C21 D37 I42 F43 | Y18-C39 HydrophobicContact CD2-CB 4.43Å; Y18-C39 HydrophobicContact CE2-CB 4.24Å; C21-C39 HydrophobicContact CB-CB 4Å; C21-C39 WeakPolarHBondContact CB-SG 3.41Å; C21-C39 PolarHBondContact O-SG 3.37Å; C21-C39 VanDerWaalsContact SG-CA 3.51Å; C21-C39 WeakPolarHBondContact SG-CB 3.32Å; C21-C39 CovalentContact SG-SG 2.05Å; C21-C39 PolarHBondContact SG-SG 2.97Å; D37-C39 PolarHBondContact O-N 3.41Å; D37-C39 VanDerWaalsContact O-N 3.14Å; C39-I42 PolarHBondContact O-N 3.22Å; C39-F43 PolarHBondContact O-N 3.49Å |
| 40 | Q | 84.3 | Confident | 82.9 | Confident | 103 Ų | 103 | 82.8 Ų | 82.8 | 48% | 0.481 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -55.4 | -44 | -177.4 | -156.2 | -126.2 | -1.6 | 0 | 0 | 115.2 | D37 I42 F43 Q44 | D37-Q40 HydrophobicContact CB-CB 4.19Å; D37-Q40 WeakPolarHBondContact O-CB 3.27Å; D37-Q40 PolarHBondContact O-N 2.75Å; Q40-I42 VanDerWaalsContact C-N 3.32Å; Q40-I42 PolarHBondContact O-N 3.45Å; Q40-F43 WeakPolarHBondContact O-CB 3.1Å; Q40-F43 PolarHBondContact O-N 2.9Å; Q40-Q44 WeakPolarHBondContact O-CG 3.47Å; Q40-Q44 PolarHBondContact O-N 2.92Å |
| 41 | P | 88 | Confident | 83 | Confident | 76 Ų | 76 | 82.9 Ų | 82.9 | 49% | 0.494 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.3 | -33 | 179.2 | 23.9 | -33.6 | 0 | 0 | 0 | 112.9 | ||
| 42 | I | 85.8 | Confident | 83.1 | Confident | 53 Ų | 53 | 84 Ų | 84 | 27% | 0.272 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -72.1 | -38.4 | 176 | -55 | 175.8 | 0 | 0 | 0 | 109.8 | K17 C21 C39 Q40 L45 Y46 | K17-I42 HydrophobicContact CB-CG2 4.27Å; C21-I42 HydrophobicContact CB-CD1 4.3Å; C39-I42 PolarHBondContact O-N 3.22Å; Q40-I42 VanDerWaalsContact C-N 3.32Å; Q40-I42 PolarHBondContact O-N 3.45Å; I42-L45 PolarHBondContact O-N 3.25Å; I42-Y46 PolarHBondContact O-N 3.4Å; I42-Y46 VanDerWaalsContact O-N 3.08Å |
| 43 | F | 87.8 | Confident | 83.4 | Confident | 75 Ų | 75 | 76.5 Ų | 76.5 | 33% | 0.329 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 177.6 | -175.7 | -114.1 | 0 | 0 | 0 | 112.4 | Y18 C39 Q40 L45 Y46 Q47 | Y18-F43 HydrophobicContact CD2-CB 3.84Å; Y18-F43 AromaticContact CD2-CD2 3.99Å; Y18-F43 HydrophobicContact CD2-CD2 3.99Å; Y18-F43 HydrophobicContact CD2-CG 4.4Å; Y18-F43 HydrophobicContact CE1-CD2 4.02Å; Y18-F43 HydrophobicContact CE1-CE2 4.44Å; Y18-F43 HydrophobicContact CE2-CB 3.56Å; Y18-F43 AromaticContact CE2-CD2 3.44Å; Y18-F43 HydrophobicContact CE2-CD2 3.44Å; Y18-F43 VanDerWaalsContact CE2-CD2 3.44Å; Y18-F43 HydrophobicContact CE2-CE2 4.47Å; Y18-F43 AromaticContact CE2-CG 3.85Å; Y18-F43 HydrophobicContact CE2-CG 3.85Å; Y18-F43 HydrophobicContact CG-CD2 4.5Å; Y18-F43 AromaticContact CZ-CD2 3.44Å; Y18-F43 VanDerWaalsContact CZ-CD2 3.44Å; C39-F43 PolarHBondContact O-N 3.49Å; Q40-F43 WeakPolarHBondContact O-CB 3.1Å; Q40-F43 PolarHBondContact O-N 2.9Å; F43-L45 PolarHBondContact O-N 3.28Å; F43-Y46 PolarHBondContact O-N 3.49Å; F43-Q47 VanDerWaalsContact O-CB 3.28Å; F43-Q47 WeakPolarHBondContact O-CB 3.29Å; F43-Q47 PolarHBondContact O-N 2.98Å |
| 44 | Q | 86.2 | Confident | 83.5 | Confident | 89 Ų | 89 | 73.9 Ų | 73.9 | 42% | 0.416 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 178.1 | -71.8 | 179.4 | 5.1 | 0 | 0 | 111.7 | Q40 Y46 Q47 E48 | Q40-Q44 WeakPolarHBondContact O-CG 3.47Å; Q40-Q44 PolarHBondContact O-N 2.92Å; Q44-Y46 VanDerWaalsContact C-N 3.33Å; Q44-Y46 PolarHBondContact O-N 3.48Å; Q44-Q47 PolarHBondContact O-N 3.07Å; Q44-E48 WeakPolarHBondContact O-CG 3.4Å; Q44-E48 PolarHBondContact O-N 3.34Å |
| 45 | L | 87.5 | Confident | 83.7 | Confident | 95 Ų | 95 | 74.6 Ų | 74.6 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 177.1 | -68.2 | 171.6 | 0 | 0 | 0 | 112.2 | L14 I42 F43 C49 | L14-L45 HydrophobicContact CD2-CB 4.32Å; I42-L45 PolarHBondContact O-N 3.25Å; F43-L45 PolarHBondContact O-N 3.28Å; L45-C49 WeakPolarHBondContact O-CB 3.39Å; L45-C49 PolarHBondContact O-N 3.4Å; L45-C49 VanDerWaalsContact O-N 3.11Å |
| 46 | Y | 86.8 | Confident | 84 | Confident | 37 Ų | 37 | 75.7 Ų | 75.7 | 15% | 0.145 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.4 | -44 | 175.8 | 175.5 | -112.8 | 0 | 0 | 0 | 111.9 | S6 C11 L14 K15 I42 F43 Q44 E48 C49 V50 | S6-Y46 PolarHBondContact OG-OH 3.19Å; C11-Y46 HydrophobicContact CB-CD2 4.43Å; C11-Y46 HydrophobicContact CB-CE2 4.22Å; L14-Y46 HydrophobicContact CB-CD2 4.16Å; K15-Y46 HydrophobicContact CB-CD2 4.09Å; K15-Y46 HydrophobicContact CB-CE2 3.55Å; K15-Y46 HydrophobicContact CD-CE2 4.46Å; K15-Y46 HydrophobicContact CG-CE2 4.14Å; I42-Y46 PolarHBondContact O-N 3.4Å; I42-Y46 VanDerWaalsContact O-N 3.08Å; F43-Y46 PolarHBondContact O-N 3.49Å; Q44-Y46 VanDerWaalsContact C-N 3.33Å; Q44-Y46 PolarHBondContact O-N 3.48Å; Y46-E48 PolarHBondContact O-N 2.95Å; Y46-C49 WeakPolarHBondContact O-CB 3.4Å; Y46-C49 PolarHBondContact O-N 3.03Å; Y46-V50 HydrophobicContact CD1-CG2 4.33Å; Y46-V50 HydrophobicContact CD2-CG2 3.95Å; Y46-V50 HydrophobicContact CE1-CG2 3.85Å; Y46-V50 HydrophobicContact CE2-CG2 3.41Å; Y46-V50 VanDerWaalsContact CE2-CG2 3.41Å; Y46-V50 HydrophobicContact CG-CG2 4.38Å; Y46-V50 WeakPolarHBondContact O-CG2 3.39Å; Y46-V50 PolarHBondContact O-N 2.99Å |
| 47 | Q | 86.2 | Confident | 83.8 | Confident | 69 Ų | 69 | 75.2 Ų | 75.2 | 32% | 0.322 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 179.3 | -171.7 | -177.1 | 6.8 | 0 | 0 | 111.3 | F43 Q44 V50 K51 | F43-Q47 VanDerWaalsContact O-CB 3.28Å; F43-Q47 WeakPolarHBondContact O-CB 3.29Å; F43-Q47 PolarHBondContact O-N 2.98Å; Q44-Q47 PolarHBondContact O-N 3.07Å; Q47-V50 PolarHBondContact O-N 3.24Å; Q47-K51 HydrophobicContact CG-CD 4.24Å; Q47-K51 HydrophobicContact CG-CG 4.46Å; Q47-K51 VanDerWaalsContact O-CB 3.29Å; Q47-K51 WeakPolarHBondContact O-CB 3.38Å; Q47-K51 VanDerWaalsContact O-CG 3.28Å; Q47-K51 WeakPolarHBondContact O-CG 3.46Å; Q47-K51 PolarHBondContact O-N 2.98Å |
| 48 | E | 86.8 | Confident | 83.5 | Confident | 129 Ų | 129 | 77.8 Ų | 77.8 | 60% | 0.603 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.7 | -44.1 | 173.4 | -73.4 | 177.7 | 179.8 | 0 | 0 | 111.8 | Q44 Y46 V50 K51 K52 | Q44-E48 WeakPolarHBondContact O-CG 3.4Å; Q44-E48 PolarHBondContact O-N 3.34Å; Y46-E48 PolarHBondContact O-N 2.95Å; E48-V50 PolarHBondContact O-N 3.26Å; E48-K51 PolarHBondContact O-N 3.45Å; E48-K52 WeakPolarHBondContact O-CB 3.09Å; E48-K52 PolarHBondContact O-N 3.44Å |
| 49 | C | 87 | Confident | 82.8 | Confident | 30 Ų | 30 | 77.2 Ų | 77.2 | 20% | 0.203 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 176 | -166.2 | 0 | 0 | 0 | 0 | 111.7 | C11 L14 L45 Y46 K52 A53 | C11-C49 VanDerWaalsContact CA-SG 3.52Å; C11-C49 HydrophobicContact CB-CB 4Å; C11-C49 WeakPolarHBondContact CB-SG 3.47Å; C11-C49 WeakPolarHBondContact SG-CB 3.5Å; C11-C49 PolarHBondContact SG-O 3.16Å; C11-C49 VanDerWaalsContact SG-O 3.41Å; C11-C49 CovalentContact SG-SG 2.04Å; C11-C49 PolarHBondContact SG-SG 3.14Å; L14-C49 HydrophobicContact CD1-CB 4.04Å; L45-C49 WeakPolarHBondContact O-CB 3.39Å; L45-C49 PolarHBondContact O-N 3.4Å; L45-C49 VanDerWaalsContact O-N 3.11Å; Y46-C49 WeakPolarHBondContact O-CB 3.4Å; Y46-C49 PolarHBondContact O-N 3.03Å; C49-K52 PolarHBondContact O-N 3.02Å; C49-A53 WeakPolarHBondContact O-CB 3.37Å; C49-A53 PolarHBondContact O-N 3.22Å |
| 50 | V | 85.5 | Confident | 81.6 | Confident | 34 Ų | 34 | 81.4 Ų | 81.4 | 21% | 0.206 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -70.1 | -43.7 | 178.9 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | I7 Y46 Q47 E48 K52 A53 L54 | I7-V50 HydrophobicContact CG2-CG1 4.43Å; Y46-V50 HydrophobicContact CD1-CG2 4.33Å; Y46-V50 HydrophobicContact CD2-CG2 3.95Å; Y46-V50 HydrophobicContact CE1-CG2 3.85Å; Y46-V50 HydrophobicContact CE2-CG2 3.41Å; Y46-V50 VanDerWaalsContact CE2-CG2 3.41Å; Y46-V50 HydrophobicContact CG-CG2 4.38Å; Y46-V50 WeakPolarHBondContact O-CG2 3.39Å; Y46-V50 PolarHBondContact O-N 2.99Å; Q47-V50 PolarHBondContact O-N 3.24Å; E48-V50 PolarHBondContact O-N 3.26Å; V50-K52 VanDerWaalsContact C-N 3.26Å; V50-K52 PolarHBondContact O-N 2.96Å; V50-A53 CarbonylContact O-C 3.44Å; V50-A53 PolarHBondContact O-N 2.96Å; V50-A53 VanDerWaalsContact O-N 3.14Å; V50-L54 VanDerWaalsContact O-CB 3.25Å; V50-L54 WeakPolarHBondContact O-CB 3.35Å; V50-L54 PolarHBondContact O-N 3.21Å |
| 51 | K | 84 | Confident | 80.5 | Confident | 107 Ų | 107 | 79.4 Ų | 79.4 | 47% | 0.465 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -56.9 | -41.9 | 175.6 | -81.1 | 179.1 | 174.3 | -179.5 | 0 | 111.2 | Q47 E48 L54 A55 | Q47-K51 HydrophobicContact CG-CD 4.24Å; Q47-K51 HydrophobicContact CG-CG 4.46Å; Q47-K51 VanDerWaalsContact O-CB 3.29Å; Q47-K51 WeakPolarHBondContact O-CB 3.38Å; Q47-K51 VanDerWaalsContact O-CG 3.28Å; Q47-K51 WeakPolarHBondContact O-CG 3.46Å; Q47-K51 PolarHBondContact O-N 2.98Å; E48-K51 PolarHBondContact O-N 3.45Å; K51-L54 PolarHBondContact O-N 2.7Å; K51-A55 PolarHBondContact O-N 2.78Å; K51-A55 VanDerWaalsContact O-N 3.1Å |
| 52 | K | 85.2 | Confident | 79 | Confident | 144 Ų | 144 | 78.1 Ų | 78.1 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.7 | -44.5 | 175.2 | -169.8 | 174.5 | -178.8 | 174.6 | 0 | 112.2 | E48 C49 V50 L54 A55 E56 | E48-K52 WeakPolarHBondContact O-CB 3.09Å; E48-K52 PolarHBondContact O-N 3.44Å; C49-K52 PolarHBondContact O-N 3.02Å; V50-K52 VanDerWaalsContact C-N 3.26Å; V50-K52 PolarHBondContact O-N 2.96Å; K52-L54 VanDerWaalsContact C-N 3.32Å; K52-L54 PolarHBondContact O-N 2.78Å; K52-A55 PolarHBondContact O-N 3.08Å; K52-E56 WeakPolarHBondContact O-CG 3.35Å; K52-E56 PolarHBondContact O-N 3.42Å |
| 53 | A | 83.1 | Confident | 77.8 | Confident | 5 Ų | 5 | 80.5 Ų | 80.5 | 4% | 0.041 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66 | -33 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | I7 C49 V50 E56 Q57 | I7-A53 HydrophobicContact CG2-CB 3.95Å; C49-A53 WeakPolarHBondContact O-CB 3.37Å; C49-A53 PolarHBondContact O-N 3.22Å; V50-A53 CarbonylContact O-C 3.44Å; V50-A53 PolarHBondContact O-N 2.96Å; V50-A53 VanDerWaalsContact O-N 3.14Å; A53-E56 PolarHBondContact O-N 2.78Å; A53-Q57 WeakPolarHBondContact O-CG 3.4Å; A53-Q57 PolarHBondContact O-N 3.14Å |
| 54 | L | 82 | Confident | 76.4 | Confident | 15 Ų | 15 | 82.5 Ų | 82.5 | 8% | 0.079 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -71.1 | -39.4 | 178.8 | -161.9 | 78.5 | 0 | 0 | 0 | 111.5 | I7 V50 K51 K52 E56 Q57 N58 I59 I64 | I7-L54 HydrophobicContact CD1-CD1 3.91Å; V50-L54 VanDerWaalsContact O-CB 3.25Å; V50-L54 WeakPolarHBondContact O-CB 3.35Å; V50-L54 PolarHBondContact O-N 3.21Å; K51-L54 PolarHBondContact O-N 2.7Å; K52-L54 VanDerWaalsContact C-N 3.32Å; K52-L54 PolarHBondContact O-N 2.78Å; L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 2.76Å; L54-Q57 PolarHBondContact O-N 2.9Å; L54-N58 PolarHBondContact O-N 3.39Å; L54-I59 HydrophobicContact CD1-CB 3.69Å; L54-I59 HydrophobicContact CD1-CD1 3.72Å; L54-I59 HydrophobicContact CD1-CG1 4.31Å; L54-I59 HydrophobicContact CD1-CG2 3.72Å; L54-I59 HydrophobicContact CD2-CG2 4.36Å; L54-I59 HydrophobicContact CG-CB 3.85Å; L54-I59 HydrophobicContact CG-CG2 4.03Å; L54-I59 PolarHBondContact O-N 3.22Å; L54-I64 HydrophobicContact CD1-CD1 4.45Å; L54-I64 HydrophobicContact CD2-CD1 3.2Å; L54-I64 HydrophobicContact CD2-CG1 4.48Å; L54-I64 HydrophobicContact CG-CD1 4.45Å |
| 55 | A | 80.1 | Confident | 75 | Confident | 67 Ų | 67 | 84.1 Ų | 84.1 | 55% | 0.554 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63 | -35.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | K51 K52 | K51-A55 PolarHBondContact O-N 2.78Å; K51-A55 VanDerWaalsContact O-N 3.1Å; K52-A55 PolarHBondContact O-N 3.08Å |
| 56 | E | 80.7 | Confident | 73.6 | Confident | 119 Ų | 119 | 84.1 Ų | 84.1 | 56% | 0.556 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -69.8 | -29.3 | 175.6 | -72.4 | 174.3 | -173.9 | 0 | 0 | 112.9 | K52 A53 L54 | K52-E56 WeakPolarHBondContact O-CG 3.35Å; K52-E56 PolarHBondContact O-N 3.42Å; A53-E56 PolarHBondContact O-N 2.78Å; L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 2.76Å |
| 57 | Q | 72.1 | Confident | 72.1 | Confident | 126 Ų | 126 | 89.2 Ų | 89.2 | 59% | 0.589 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 8.6 | -178.5 | -69.9 | -68 | -21.1 | 0 | 0 | 114.1 | A53 L54 I59 | A53-Q57 WeakPolarHBondContact O-CG 3.4Å; A53-Q57 PolarHBondContact O-N 3.14Å; L54-Q57 PolarHBondContact O-N 2.9Å; Q57-I59 HydrophobicContact CB-CD1 4.12Å; Q57-I59 HydrophobicContact CB-CG1 4.36Å; Q57-I59 PolarHBondContact O-N 2.04Å; Q57-I59 VanDerWaalsContact O-N 3.16Å |
| 58 | N | 68 | Low | 70.7 | Confident | 159 Ų | 159 | 88.9 Ų | 88.9 | 85% | 0.85 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 30.8 | 178.6 | -145 | 7.2 | 0 | 0 | 0 | 113.4 | L54 | L54-N58 PolarHBondContact O-N 3.39Š|
| 59 | I | 66.5 | Low | 68.8 | Low | 82 Ų | 82 | 90.6 Ų | 90.6 | 42% | 0.421 | 47% | 0.472 | S | S | . | . | trans | -90.9 | 114.6 | 171.7 | -62.9 | 163.7 | 0 | 0 | 0 | 106 | I7 L54 Q57 S61 | I7-I59 HydrophobicContact CD1-CD1 3.81Å; L54-I59 HydrophobicContact CD1-CB 3.69Å; L54-I59 HydrophobicContact CD1-CD1 3.72Å; L54-I59 HydrophobicContact CD1-CG1 4.31Å; L54-I59 HydrophobicContact CD1-CG2 3.72Å; L54-I59 HydrophobicContact CD2-CG2 4.36Å; L54-I59 HydrophobicContact CG-CB 3.85Å; L54-I59 HydrophobicContact CG-CG2 4.03Å; L54-I59 PolarHBondContact O-N 3.22Å; Q57-I59 HydrophobicContact CB-CD1 4.12Å; Q57-I59 HydrophobicContact CB-CG1 4.36Å; Q57-I59 PolarHBondContact O-N 2.04Å; Q57-I59 VanDerWaalsContact O-N 3.16Å; I59-S61 PolarHBondContact O-N 3.43Å | ||
| 60 | D | 60.6 | Low | 67.3 | Low | 95 Ų | 95 | 92.3 Ų | 92.3 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | trans | -56.4 | 101.6 | -176.9 | -174.9 | 2.3 | 0 | 0 | 0 | 110.6 | S62 E63 | D60-S62 PolarHBondContact O-N 3.38Å; D60-S62 WeakPolarHBondContact OD1-CB 3.44Å; D60-S62 PolarHBondContact OD1-N 2.99Å; D60-S62 PolarHBondContact OD1-OG 3.1Å; D60-S62 PolarHBondContact OD2-OG 3.09Å; D60-E63 PolarHBondContact O-N 3.45Å | ||
| 61 | S | 60 | Low | 65.6 | Low | 61 Ų | 61 | 93.9 Ų | 93.9 | 43% | 0.427 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -11.4 | 178.2 | 32 | 0 | 0 | 0 | 0 | 113 | I59 E63 | I59-S61 PolarHBondContact O-N 3.43Å; S61-E63 VanDerWaalsContact C-N 3.3Å; S61-E63 PolarHBondContact O-N 2.97Å |
| 62 | S | 58.2 | Low | 64.3 | Low | 49 Ų | 49 | 95.2 Ų | 95.2 | 34% | 0.343 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -7.9 | 178.9 | 79.1 | 0 | 0 | 0 | 0 | 114.4 | D60 R66 | D60-S62 PolarHBondContact O-N 3.38Å; D60-S62 WeakPolarHBondContact OD1-CB 3.44Å; D60-S62 PolarHBondContact OD1-N 2.99Å; D60-S62 PolarHBondContact OD1-OG 3.1Å; D60-S62 PolarHBondContact OD2-OG 3.09Å; S62-R66 WeakPolarHBondContact O-CD 3.29Å; S62-R66 VanDerWaalsContact O-CG 3.25Å; S62-R66 WeakPolarHBondContact O-CG 3.09Å; S62-R66 PolarHBondContact O-NE 2.72Å; S62-R66 PolarHBondContact OG-NH2 3.43Å |
| 63 | E | 59.6 | Low | 62.8 | Low | 104 Ų | 104 | 96.1 Ų | 96.1 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -25.8 | 173.8 | -83.2 | -171 | 176.6 | 0 | 0 | 114.4 | D60 S61 D65 R66 | D60-E63 PolarHBondContact O-N 3.45Å; S61-E63 VanDerWaalsContact C-N 3.3Å; S61-E63 PolarHBondContact O-N 2.97Å; E63-D65 VanDerWaalsContact C-N 3.33Å; E63-D65 PolarHBondContact O-N 2.85Å; E63-R66 VanDerWaalsContact CG-CZ 3.46Å; E63-R66 WeakPolarHBondContact O-CB 3.49Å; E63-R66 PolarHBondContact O-N 3.24Å; E63-R66 IonicContact OE1-NH1 3.91Å; E63-R66 PolarHBondContact OE1-NH1 3.31Å; E63-R66 VanDerWaalsContact OE1-NH1 3.08Å |
| 64 | I | 58.3 | Low | 61.4 | Low | 116 Ų | 116 | 101.4 Ų | 101.4 | 60% | 0.595 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -30.6 | -176.5 | -62.6 | 176 | 0 | 0 | 0 | 111.4 | L54 R66 | L54-I64 HydrophobicContact CD1-CD1 4.45Å; L54-I64 HydrophobicContact CD2-CD1 3.2Å; L54-I64 HydrophobicContact CD2-CG1 4.48Å; L54-I64 HydrophobicContact CG-CD1 4.45Å; I64-R66 VanDerWaalsContact C-N 3.3Å |
| 65 | D | 57.4 | Low | 60.2 | Low | 123 Ų | 123 | 106.2 Ų | 106.2 | 66% | 0.658 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -4.4 | 174.9 | -66.2 | -26.8 | 0 | 0 | 0 | 112.6 | E63 N67 | E63-D65 VanDerWaalsContact C-N 3.33Å; E63-D65 PolarHBondContact O-N 2.85Å; D65-N67 PolarHBondContact O-N 2.92Å |
| 66 | R | 57.8 | Low | 58.4 | Low | 95 Ų | 95 | 106.6 Ų | 106.6 | 36% | 0.358 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -80.7 | 117.2 | 174.9 | -66.9 | 173.8 | -155.3 | 165.1 | 5.2 | 108.4 | S62 E63 I64 I68 | S62-R66 WeakPolarHBondContact O-CD 3.29Å; S62-R66 VanDerWaalsContact O-CG 3.25Å; S62-R66 WeakPolarHBondContact O-CG 3.09Å; S62-R66 PolarHBondContact O-NE 2.72Å; S62-R66 PolarHBondContact OG-NH2 3.43Å; E63-R66 VanDerWaalsContact CG-CZ 3.46Å; E63-R66 WeakPolarHBondContact O-CB 3.49Å; E63-R66 PolarHBondContact O-N 3.24Å; E63-R66 IonicContact OE1-NH1 3.91Å; E63-R66 PolarHBondContact OE1-NH1 3.31Å; E63-R66 VanDerWaalsContact OE1-NH1 3.08Å; I64-R66 VanDerWaalsContact C-N 3.3Å; R66-I68 HydrophobicContact CB-CD1 4.16Å; R66-I68 HydrophobicContact CB-CG1 3.73Å; R66-I68 PolarHBondContact O-N 2.94Å |
| 67 | N | 55.5 | Low | 56.3 | Low | 145 Ų | 145 | 108.1 Ų | 108.1 | 78% | 0.775 | 59% | 0.59 | S | S | * | * | trans | -62.7 | 81.7 | 160.4 | -76.5 | -35.8 | 0 | 0 | 0 | 109.1 | D65 I69 T71 | D65-N67 PolarHBondContact O-N 2.92Å; N67-I69 VanDerWaalsContact C-N 3.29Å; N67-T71 WeakPolarHBondContact O-CG2 3.28Å; N67-T71 PolarHBondContact O-OG1 3.4Å; N67-T71 VanDerWaalsContact O-OG1 3.13Å | ||
| 68 | I | 56.1 | Low | 54.9 | Low | 61 Ų | 61 | 107 Ų | 107 | 31% | 0.313 | 60% | 0.597 | S | S | . | * | trans | -77 | -23.4 | 177.9 | -63.2 | 169.6 | 0 | 0 | 0 | 110.2 | R66 G70 T71 | R66-I68 HydrophobicContact CB-CD1 4.16Å; R66-I68 HydrophobicContact CB-CG1 3.73Å; R66-I68 PolarHBondContact O-N 2.94Å; I68-G70 PolarHBondContact O-N 3.46Å; I68-T71 WeakPolarHBondContact CA-OG1 3.43Å; I68-T71 PolarHBondContact O-N 3.12Å; I68-T71 PolarHBondContact O-OG1 3.28Å | ||
| 69 | I | 47.9 | Very low | 53.9 | Low | 166 Ų | 166 | 106.5 Ų | 106.5 | 85% | 0.851 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 100.1 | 175.2 | -54.8 | 179.9 | 0 | 0 | 0 | 109.3 | N67 | N67-I69 VanDerWaalsContact C-N 3.29Š|
| 70 | G | 54.4 | Low | 52.3 | Low | 66 Ų | 66 | 108.3 Ų | 108.3 | 68% | 0.68 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.7 | 3.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | I68 | I68-G70 PolarHBondContact O-N 3.46Š|
| 71 | T | 50.1 | Low | 51.6 | Low | 66 Ų | 66 | 108.9 Ų | 108.9 | 41% | 0.405 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -103.1 | 161.6 | 177.7 | 54.8 | 0 | 0 | 0 | 0 | 113 | N67 I68 K73 D74 | N67-T71 WeakPolarHBondContact O-CG2 3.28Å; N67-T71 PolarHBondContact O-OG1 3.4Å; N67-T71 VanDerWaalsContact O-OG1 3.13Å; I68-T71 WeakPolarHBondContact CA-OG1 3.43Å; I68-T71 PolarHBondContact O-N 3.12Å; I68-T71 PolarHBondContact O-OG1 3.28Å; T71-K73 PolarHBondContact O-N 2.9Å; T71-D74 PolarHBondContact O-N 3.46Å |
| 72 | D | 56.2 | Low | 50.5 | Low | 136 Ų | 136 | 114.9 Ų | 114.9 | 73% | 0.727 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -61.1 | -10.2 | -166.5 | -69.2 | -48.1 | 0 | 0 | 0 | 116.1 | D74 | D72-D74 VanDerWaalsContact C-N 3.29Å; D72-D74 PolarHBondContact O-N 3.44Å |
| 73 | K | 54.4 | Low | 49.8 | Very low | 163 Ų | 163 | 118.3 Ų | 118.3 | 71% | 0.709 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -74.9 | -11.9 | 179.2 | -70 | -170.6 | 172.8 | -174.9 | 0 | 114.5 | T71 | T71-K73 PolarHBondContact O-N 2.9Š|
| 74 | D | 54.5 | Low | 48.9 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 62% | 0.62 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -84.8 | -6.2 | 175.9 | -94.7 | -16.1 | 0 | 0 | 0 | 114.5 | T71 D72 | T71-D74 PolarHBondContact O-N 3.46Å; D72-D74 VanDerWaalsContact C-N 3.29Å; D72-D74 PolarHBondContact O-N 3.44Å |
| 75 | K | 55.3 | Low | 48.3 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 50% | 0.504 | 68% | 0.678 | S | S | . | * | trans | -111.3 | 74.7 | -168.4 | -68.7 | 176.4 | -172.7 | 135.6 | 0 | 112.7 | ||||
| 76 | G | 42.6 | Very low | 48.1 | Very low | 74 Ų | 74 | 121 Ų | 121 | 76% | 0.763 | 67% | 0.669 | S | S | * | * | trans | -129 | 22.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 77 | N | 37.5 | Very low | 47.6 | Very low | 152 Ų | 152 | 122.7 Ų | 122.7 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -169.2 | 102.3 | 157.5 | -154.2 | 16.9 | 0 | 0 | 0 | 112.5 | ||
| 78 | S | 42.2 | Very low | 47.2 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 72% | 0.72 | 67% | 0.669 | S | S | * | * | trans | 156.8 | 102.4 | 143.1 | -77.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 79 | N | 46.2 | Very low | 47.2 | Very low | 147 Ų | 147 | 121.2 Ų | 121.2 | 79% | 0.786 | 68% | 0.678 | S | S | * | * | trans | 45.8 | 100.4 | 139.4 | -59.7 | -21.6 | 0 | 0 | 0 | 118.9 | V81 | N79-V81 PolarHBondContact O-N 2.99Å; N79-V81 VanDerWaalsContact O-N 3.09Å | ||
| 80 | S | 33.4 | Very low | 47.1 | Very low | 121 Ų | 121 | 121.5 Ų | 121.5 | 85% | 0.846 | 68% | 0.676 | S | S | * | * | trans | -49.5 | 101.8 | 157.9 | 162.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 81 | V | 45.8 | Very low | 46.6 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 65% | 0.648 | 67% | 0.672 | S | S | * | * | trans | -103.1 | 115.5 | 155.4 | -179.5 | 0 | 0 | 0 | 0 | 107.3 | N79 L83 | N79-V81 PolarHBondContact O-N 2.99Å; N79-V81 VanDerWaalsContact O-N 3.09Å; V81-L83 HydrophobicContact CG1-CG 4.37Å; V81-L83 PolarHBondContact O-N 3.42Å | ||
| 82 | M | 36.9 | Very low | 46.5 | Very low | 187 Ų | 187 | 125 Ų | 125 | 92% | 0.921 | 68% | 0.676 | S | S | * | * | trans | -64.1 | 96.9 | 171.4 | -113.6 | -151.6 | -90.3 | 0 | 0 | 108.8 | ||||
| 83 | L | 43.4 | Very low | 45.8 | Very low | 120 Ų | 120 | 123 Ų | 123 | 63% | 0.628 | 68% | 0.678 | S | S | * | * | trans | -88.2 | 124.7 | 171.4 | -76.4 | 157.9 | 0 | 0 | 0 | 108.9 | V81 L203 | V81-L83 HydrophobicContact CG1-CG 4.37Å; V81-L83 PolarHBondContact O-N 3.42Å; L83-L203 HydrophobicContact CD1-CD1 4.04Å | ||
| 84 | R | 41.3 | Very low | 45.4 | Very low | 215 Ų | 215 | 119.2 Ų | 119.2 | 81% | 0.811 | 68% | 0.677 | S | S | * | * | trans | -55.9 | 146.8 | 169.9 | -73 | -179.3 | 172.5 | -155.2 | -1.7 | 109.4 | V86 | R84-V86 PolarHBondContact O-N 2.87Š| ||
| 85 | P | 45.4 | Very low | 44.8 | Very low | 107 Ų | 107 | 116 Ų | 116 | 70% | 0.695 | 66% | 0.664 | S | S | * | * | trans | -60.4 | 115.9 | 174.7 | 24.7 | -30.9 | 0 | 0 | 0 | 108.8 | ||||
| 86 | V | 53.3 | Low | 44.2 | Very low | 78 Ų | 78 | 116.3 Ų | 116.3 | 47% | 0.473 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -77.8 | 132.2 | 169.2 | 179.1 | 0 | 0 | 0 | 0 | 106.5 | R84 N200 | R84-V86 PolarHBondContact O-N 2.87Å; V86-N200 WeakPolarHBondContact CB-ND2 3.37Å |
| 87 | M | 46.4 | Very low | 44.1 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 64% | 0.64 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 142.4 | 175.8 | -69.5 | -72.7 | 174.4 | 0 | 0 | 110.3 | I89 | M87-I89 PolarHBondContact O-N 3.42Š|
| 88 | P | 47.7 | Very low | 43.9 | Very low | 76 Ų | 76 | 120 Ų | 120 | 49% | 0.494 | 68% | 0.683 | S | S | . | * | P | Polyproline II helix | trans | -55 | 135.3 | 175.6 | 20.5 | -29.6 | 0 | 0 | 0 | 110.2 | E90 L91 | P88-E90 PolarHBondContact O-N 3.04Å; P88-L91 PolarHBondContact O-N 2.77Å |
| 89 | I | 57.1 | Low | 43.4 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 51% | 0.508 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -56.6 | -23.7 | -176.8 | -67.1 | 168.8 | 0 | 0 | 0 | 111.7 | M87 L91 L92 A93 V197 | M87-I89 PolarHBondContact O-N 3.42Å; I89-L91 VanDerWaalsContact C-N 3.28Å; I89-L91 PolarHBondContact O-N 3.23Å; I89-L92 PolarHBondContact O-N 3.47Å; I89-A93 PolarHBondContact O-N 3.25Å; I89-V197 HydrophobicContact CD1-CG1 4.02Å; I89-V197 HydrophobicContact CD1-CG2 4.11Å |
| 90 | E | 45.4 | Very low | 43.1 | Very low | 172 Ų | 172 | 126.9 Ų | 126.9 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -67.4 | -23.3 | 176.3 | -64.1 | -178.7 | 173.4 | 0 | 0 | 113.8 | P88 | P88-E90 PolarHBondContact O-N 3.04Å |
| 91 | L | 44.1 | Very low | 43.1 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 59% | 0.592 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -87.2 | -17.6 | 174.4 | -138.4 | 79.1 | 0 | 0 | 0 | 113 | P88 I89 A93 S95 | P88-L91 PolarHBondContact O-N 2.77Å; I89-L91 VanDerWaalsContact C-N 3.28Å; I89-L91 PolarHBondContact O-N 3.23Å; L91-A93 VanDerWaalsContact C-N 3.34Å; L91-S95 PolarHBondContact O-N 3.2Å; L91-S95 PolarHBondContact O-OG 3.45Å |
| 92 | L | 47.4 | Very low | 42.8 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 49% | 0.492 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -74.7 | -28.3 | 172.1 | -72.2 | 167.5 | 0 | 0 | 0 | 111.4 | I89 A94 S95 | I89-L92 PolarHBondContact O-N 3.47Å; L92-A94 VanDerWaalsContact C-N 3.35Å; L92-S95 PolarHBondContact O-OG 2.91Å |
| 93 | A | 41.8 | Very low | 42.8 | Very low | 92 Ų | 92 | 123.6 Ų | 123.6 | 76% | 0.76 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -23.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I89 L91 | I89-A93 PolarHBondContact O-N 3.25Å; L91-A93 VanDerWaalsContact C-N 3.34Å |
| 94 | A | 46.4 | Very low | 42.9 | Very low | 85 Ų | 85 | 125.3 Ų | 125.3 | 70% | 0.702 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -10 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L92 | L92-A94 VanDerWaalsContact C-N 3.35Š|
| 95 | S | 40 | Very low | 43.2 | Very low | 48 Ų | 48 | 123.1 Ų | 123.1 | 34% | 0.336 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -96.5 | 134.3 | 170.3 | 54.9 | 0 | 0 | 0 | 0 | 108.8 | L91 L92 F97 | L91-S95 PolarHBondContact O-N 3.2Å; L91-S95 PolarHBondContact O-OG 3.45Å; L92-S95 PolarHBondContact O-OG 2.91Å; S95-F97 PolarHBondContact O-N 2.86Å |
| 96 | S | 44.3 | Very low | 43.6 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 86% | 0.86 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -61.8 | 28.5 | 173.8 | -60.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 97 | F | 40.2 | Very low | 43.8 | Very low | 177 Ų | 177 | 119.8 Ų | 119.8 | 78% | 0.776 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -2.4 | -169.8 | -121.3 | -94.1 | 0 | 0 | 0 | 114.1 | S95 | S95-F97 PolarHBondContact O-N 2.86Š|
| 98 | C | 33 | Very low | 44.6 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 85% | 0.845 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 26.7 | 169.5 | -73.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 99 | R | 31 | Very low | 45.6 | Very low | 211 Ų | 211 | 116.7 Ų | 116.7 | 80% | 0.796 | 66% | 0.661 | S | S | * | * | trans | -91 | 94.8 | 148.3 | -93.2 | -174.2 | -173.5 | -165.7 | 2.2 | 107.5 | E101 | R99-E101 PolarHBondContact O-N 3.4Š| ||
| 100 | M | 41.1 | Very low | 46.7 | Very low | 185 Ų | 185 | 114 Ų | 114 | 91% | 0.911 | 65% | 0.654 | S | S | * | * | trans | -63.7 | 95.5 | 155.4 | -77.5 | 164 | 65.3 | 0 | 0 | 106.2 | ||||
| 101 | E | 33.6 | Very low | 48.6 | Very low | 154 Ų | 154 | 107.8 Ų | 107.8 | 72% | 0.72 | 63% | 0.632 | S | S | * | * | trans | -64.3 | 130.7 | 158.4 | -66.1 | -149.2 | 138.6 | 0 | 0 | 106.8 | R99 S103 | R99-E101 PolarHBondContact O-N 3.4Å; E101-S103 PolarHBondContact O-N 3.11Å | ||
| 102 | P | 38.6 | Very low | 50.6 | Low | 103 Ų | 103 | 105.7 Ų | 105.7 | 67% | 0.669 | 62% | 0.616 | S | S | * | * | trans | -67.4 | 104.1 | 178.2 | 27.5 | -29.5 | 0 | 0 | 0 | 107.1 | D104 | P102-D104 PolarHBondContact O-N 3.43Š| ||
| 103 | S | 36.7 | Very low | 52.5 | Low | 89 Ų | 89 | 105.1 Ų | 105.1 | 62% | 0.622 | 61% | 0.61 | S | S | * | * | trans | -55.9 | 125.1 | 162.8 | -38.4 | 0 | 0 | 0 | 0 | 106.8 | E101 Q105 S106 | E101-S103 PolarHBondContact O-N 3.11Å; S103-Q105 PolarHBondContact O-N 3.41Å; S103-S106 WeakPolarHBondContact O-CB 3.42Å; S103-S106 PolarHBondContact O-N 3.49Å; S103-S106 PolarHBondContact O-OG 3.49Å | ||
| 104 | D | 45.7 | Very low | 54.8 | Low | 156 Ų | 156 | 104.2 Ų | 104.2 | 83% | 0.834 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | -14.1 | -176.8 | -82.5 | -41.5 | 0 | 0 | 0 | 114.7 | P102 S106 | P102-D104 PolarHBondContact O-N 3.43Å; D104-S106 VanDerWaalsContact C-N 3.25Å; D104-S106 PolarHBondContact O-N 3Å |
| 105 | Q | 47.7 | Very low | 56.9 | Low | 168 Ų | 168 | 104.5 Ų | 104.5 | 79% | 0.785 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.6 | -21 | 171.3 | -68.4 | 179.6 | -10.3 | 0 | 0 | 113.6 | S103 A107 S109 | S103-Q105 PolarHBondContact O-N 3.41Å; Q105-A107 VanDerWaalsContact C-N 3.34Å; Q105-A107 PolarHBondContact O-N 3.3Å; Q105-S109 PolarHBondContact O-N 3Å |
| 106 | S | 53.2 | Low | 59.3 | Low | 54 Ų | 54 | 104.2 Ų | 104.2 | 38% | 0.378 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.2 | -37.2 | 177.7 | 58 | 0 | 0 | 0 | 0 | 112.4 | S103 D104 S108 S109 A110 | S103-S106 WeakPolarHBondContact O-CB 3.42Å; S103-S106 PolarHBondContact O-N 3.49Å; S103-S106 PolarHBondContact O-OG 3.49Å; D104-S106 VanDerWaalsContact C-N 3.25Å; D104-S106 PolarHBondContact O-N 3Å; S106-S108 PolarHBondContact O-N 3.45Å; S106-S109 PolarHBondContact O-N 3.47Å; S106-S109 PolarHBondContact O-OG 3.38Å; S106-A110 PolarHBondContact O-N 3.01Å |
| 107 | A | 57.9 | Low | 61.5 | Low | 62 Ų | 62 | 103.6 Ų | 103.6 | 51% | 0.512 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.9 | -43.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q105 S109 A110 A111 | Q105-A107 VanDerWaalsContact C-N 3.34Å; Q105-A107 PolarHBondContact O-N 3.3Å; A107-S109 VanDerWaalsContact C-N 3.27Å; A107-S109 PolarHBondContact O-N 2.89Å; A107-A110 PolarHBondContact O-N 2.83Å; A107-A111 PolarHBondContact O-N 3.19Å |
| 108 | S | 63.5 | Low | 64 | Low | 96 Ų | 96 | 100.8 Ų | 100.8 | 67% | 0.671 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.4 | -32.6 | 176.8 | -178.8 | 0 | 0 | 0 | 0 | 112 | S106 | S106-S108 PolarHBondContact O-N 3.45Å |
| 109 | S | 69.2 | Low | 66.8 | Low | 45 Ų | 45 | 95.9 Ų | 95.9 | 32% | 0.315 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -74.2 | -35.9 | 177.9 | 76.7 | 0 | 0 | 0 | 0 | 112 | Q105 S106 A107 R112 F113 | Q105-S109 PolarHBondContact O-N 3Å; S106-S109 PolarHBondContact O-N 3.47Å; S106-S109 PolarHBondContact O-OG 3.38Å; A107-S109 VanDerWaalsContact C-N 3.27Å; A107-S109 PolarHBondContact O-N 2.89Å; S109-R112 WeakPolarHBondContact O-CG 3.46Å; S109-F113 WeakPolarHBondContact O-CD2 3.42Å; S109-F113 WeakPolarHBondContact O-CE2 3.34Å |
| 110 | A | 80 | Confident | 69.7 | Low | 42 Ų | 42 | 89.3 Ų | 89.3 | 35% | 0.347 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -48.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | S106 A107 R112 F113 D114 | S106-A110 PolarHBondContact O-N 3.01Å; A107-A110 PolarHBondContact O-N 2.83Å; A110-R112 VanDerWaalsContact C-N 3.26Å; A110-R112 PolarHBondContact O-N 2.92Å; A110-R112 VanDerWaalsContact O-N 3.13Å; A110-F113 WeakPolarHBondContact O-CA 3.34Å; A110-F113 PolarHBondContact O-N 2.95Å; A110-D114 VanDerWaalsContact O-CG 3.29Å; A110-D114 PolarHBondContact O-N 2.89Å |
| 111 | A | 84.2 | Confident | 72.3 | Confident | 42 Ų | 42 | 86.1 Ų | 86.1 | 35% | 0.347 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56.5 | -37.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A107 D114 N115 | A107-A111 PolarHBondContact O-N 3.19Å; A111-D114 PolarHBondContact O-N 2.78Å; A111-N115 PolarHBondContact O-N 3.36Å; A111-N115 PolarHBondContact O-ND2 2.88Å |
| 112 | R | 86.8 | Confident | 75.1 | Confident | 69 Ų | 69 | 81 Ų | 81 | 26% | 0.26 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.4 | -36.1 | 176.4 | 59.2 | 165.6 | -173.1 | -179.1 | -1.2 | 112.6 | S109 A110 L116 K165 F166 D168 | S109-R112 WeakPolarHBondContact O-CG 3.46Å; A110-R112 VanDerWaalsContact C-N 3.26Å; A110-R112 PolarHBondContact O-N 2.92Å; A110-R112 VanDerWaalsContact O-N 3.13Å; R112-L116 PolarHBondContact O-N 2.82Å; R112-K165 PolarHBondContact NH1-O 3.02Å; R112-F166 HydrophobicContact CB-CE1 4.41Å; R112-F166 HydrophobicContact CB-CZ 4.37Å; R112-F166 HydrophobicContact CG-CE1 4.17Å; R112-F166 WeakPolarHBondContact O-CZ 3.42Å; R112-D168 IonicContact CZ-OD1 2.65Å; R112-D168 IonicContact CZ-OD2 3.14Å; R112-D168 IonicContact NH1-OD1 3.83Å; R112-D168 PolarHBondContact NH1-OD1 3.46Å; R112-D168 IonicContact NH1-OD2 3.22Å; R112-D168 PolarHBondContact NH1-OD2 3.44Å; R112-D168 IonicContact NH2-OD1 3.08Å; R112-D168 IonicContact NH2-OD2 2.73Å; R112-D168 PolarHBondContact NH2-OD2 2.85Å |
| 113 | F | 88.2 | Confident | 77.7 | Confident | 81 Ų | 81 | 77.2 Ų | 77.2 | 36% | 0.355 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.6 | -41.8 | 176.5 | -68 | -67.8 | 0 | 0 | 0 | 110.6 | S109 A110 N115 L116 E117 F166 V169 | S109-F113 WeakPolarHBondContact O-CD2 3.42Å; S109-F113 WeakPolarHBondContact O-CE2 3.34Å; A110-F113 WeakPolarHBondContact O-CA 3.34Å; A110-F113 PolarHBondContact O-N 2.95Å; F113-N115 VanDerWaalsContact C-N 3.29Å; F113-N115 PolarHBondContact O-N 3Å; F113-L116 WeakPolarHBondContact O-CA 3.11Å; F113-L116 WeakPolarHBondContact O-CB 3.41Å; F113-L116 PolarHBondContact O-N 3.43Å; F113-E117 WeakPolarHBondContact O-CB 3.42Å; F113-E117 PolarHBondContact O-N 3.38Å; F113-F166 HydrophobicContact CD1-CD1 4.09Å; F113-F166 AromaticContact CD1-CE1 3.52Å; F113-F166 HydrophobicContact CD1-CE1 3.52Å; F113-F166 HydrophobicContact CD1-CZ 4.47Å; F113-F166 AromaticContact CE1-CD1 3.62Å; F113-F166 HydrophobicContact CE1-CD1 3.62Å; F113-F166 AromaticContact CE1-CE1 3.53Å; F113-F166 HydrophobicContact CE1-CE1 3.53Å; F113-F166 HydrophobicContact CG-CE1 4.26Å; F113-F166 HydrophobicContact CZ-CD1 4.27Å; F113-F166 HydrophobicContact CZ-CE1 4.28Å; F113-V169 HydrophobicContact CE1-CG2 4.11Å; F113-V169 HydrophobicContact CZ-CG2 3.78Å |
| 114 | D | 90.1 | Very high | 80.5 | Confident | 74 Ų | 74 | 78.6 Ų | 78.6 | 40% | 0.396 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 176.3 | -57 | -23.8 | 0 | 0 | 0 | 111.4 | A110 A111 L116 E117 Q118 | A110-D114 VanDerWaalsContact O-CG 3.29Å; A110-D114 PolarHBondContact O-N 2.89Å; A111-D114 PolarHBondContact O-N 2.78Å; D114-L116 VanDerWaalsContact C-N 3.32Å; D114-L116 PolarHBondContact O-N 2.87Å; D114-E117 PolarHBondContact O-N 3.26Å; D114-Q118 WeakPolarHBondContact O-CB 3.38Å; D114-Q118 VanDerWaalsContact O-CG 3.27Å; D114-Q118 WeakPolarHBondContact O-CG 3.45Å; D114-Q118 PolarHBondContact O-N 2.83Å |
| 115 | N | 89.4 | Confident | 82.8 | Confident | 91 Ų | 91 | 74.3 Ų | 74.3 | 49% | 0.487 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 175.8 | -82.8 | -79.4 | 0 | 0 | 0 | 112.3 | A111 F113 S119 | A111-N115 PolarHBondContact O-N 3.36Å; A111-N115 PolarHBondContact O-ND2 2.88Å; F113-N115 VanDerWaalsContact C-N 3.29Å; F113-N115 PolarHBondContact O-N 3Å; N115-S119 PolarHBondContact O-N 3.45Å; N115-S119 PolarHBondContact O-OG 2.74Å |
| 116 | L | 90.4 | Very high | 84.9 | Confident | 41 Ų | 41 | 68 Ų | 68 | 22% | 0.215 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.3 | -44.6 | 176.7 | 178.5 | 65.2 | 0 | 0 | 0 | 110.8 | R112 F113 D114 S119 L120 L159 F166 | R112-L116 PolarHBondContact O-N 2.82Å; F113-L116 WeakPolarHBondContact O-CA 3.11Å; F113-L116 WeakPolarHBondContact O-CB 3.41Å; F113-L116 PolarHBondContact O-N 3.43Å; D114-L116 VanDerWaalsContact C-N 3.32Å; D114-L116 PolarHBondContact O-N 2.87Å; L116-S119 WeakPolarHBondContact O-CB 3.31Å; L116-S119 PolarHBondContact O-N 3.12Å; L116-S119 VanDerWaalsContact O-N 3.16Å; L116-L120 HydrophobicContact CD1-CD1 4.47Å; L116-L120 HydrophobicContact CG-CD1 4.11Å; L116-L120 WeakPolarHBondContact O-CG 3.28Å; L116-L120 PolarHBondContact O-N 3.29Å; L116-L159 HydrophobicContact CD1-CD2 3.76Å; L116-F166 HydrophobicContact CB-CE2 4.22Å; L116-F166 HydrophobicContact CB-CZ 3.83Å; L116-F166 HydrophobicContact CD1-CE2 4.41Å; L116-F166 HydrophobicContact CD2-CD2 4.35Å; L116-F166 HydrophobicContact CD2-CE1 4.25Å; L116-F166 HydrophobicContact CD2-CE2 3.81Å; L116-F166 HydrophobicContact CD2-CZ 3.75Å; L116-F166 HydrophobicContact CG-CE2 4.37Å; L116-F166 HydrophobicContact CG-CZ 4.33Å |
| 117 | E | 91.4 | Very high | 86.8 | Confident | 110 Ų | 110 | 68.2 Ų | 68.2 | 51% | 0.514 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.2 | -50.7 | 177.2 | -175.4 | 171.7 | -167.8 | 0 | 0 | 111.2 | F113 D114 S119 L120 E121 | F113-E117 WeakPolarHBondContact O-CB 3.42Å; F113-E117 PolarHBondContact O-N 3.38Å; D114-E117 PolarHBondContact O-N 3.26Å; E117-S119 PolarHBondContact O-N 3.34Å; E117-L120 WeakPolarHBondContact O-CB 3.47Å; E117-L120 PolarHBondContact O-N 2.94Å; E117-E121 WeakPolarHBondContact O-CG 3.46Å; E117-E121 PolarHBondContact O-N 3.41Å |
| 118 | Q | 92.9 | Very high | 88.5 | Confident | 119 Ų | 119 | 70.8 Ų | 70.8 | 56% | 0.556 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57 | -35.6 | 175.9 | -72.4 | 172.1 | 26.5 | 0 | 0 | 112.7 | D114 A122 | D114-Q118 WeakPolarHBondContact O-CB 3.38Å; D114-Q118 VanDerWaalsContact O-CG 3.27Å; D114-Q118 WeakPolarHBondContact O-CG 3.45Å; D114-Q118 PolarHBondContact O-N 2.83Å; Q118-A122 VanDerWaalsContact O-CB 3.31Å; Q118-A122 WeakPolarHBondContact O-CB 3.29Å; Q118-A122 PolarHBondContact O-N 2.78Å |
| 119 | S | 91.1 | Very high | 89.8 | Confident | 21 Ų | 21 | 68.9 Ų | 68.9 | 15% | 0.147 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -72.6 | -38.7 | 178.5 | -51.4 | 0 | 0 | 0 | 0 | 111.7 | N115 L116 E117 L123 K162 | N115-S119 PolarHBondContact O-N 3.45Å; N115-S119 PolarHBondContact O-OG 2.74Å; L116-S119 WeakPolarHBondContact O-CB 3.31Å; L116-S119 PolarHBondContact O-N 3.12Å; L116-S119 VanDerWaalsContact O-N 3.16Å; E117-S119 PolarHBondContact O-N 3.34Å; S119-L123 WeakPolarHBondContact O-CB 3.5Å; S119-L123 PolarHBondContact O-N 3.2Å; S119-K162 PolarHBondContact OG-NZ 2.86Å |
| 120 | L | 93 | Very high | 90.9 | Very high | 74 Ų | 74 | 68.3 Ų | 68.3 | 39% | 0.387 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 174.5 | -73 | 169.1 | 0 | 0 | 0 | 111.3 | L116 E117 A122 L123 I124 L159 | L116-L120 HydrophobicContact CD1-CD1 4.47Å; L116-L120 HydrophobicContact CG-CD1 4.11Å; L116-L120 WeakPolarHBondContact O-CG 3.28Å; L116-L120 PolarHBondContact O-N 3.29Å; E117-L120 WeakPolarHBondContact O-CB 3.47Å; E117-L120 PolarHBondContact O-N 2.94Å; L120-A122 PolarHBondContact O-N 3.46Å; L120-L123 PolarHBondContact O-N 2.81Å; L120-I124 VanDerWaalsContact O-CG1 3.28Å; L120-I124 WeakPolarHBondContact O-CG1 3.29Å; L120-I124 PolarHBondContact O-N 3.38Å; L120-L159 HydrophobicContact CD2-CD1 3.83Å; L120-L159 HydrophobicContact CD2-CD2 3.85Å; L120-L159 HydrophobicContact CG-CD2 4.09Å |
| 121 | E | 94.1 | Very high | 91.4 | Very high | 117 Ų | 117 | 69.7 Ų | 69.7 | 55% | 0.547 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 174.9 | -72.1 | -174.3 | 153.4 | 0 | 0 | 111.5 | E117 L123 I124 E125 | E117-E121 WeakPolarHBondContact O-CG 3.46Å; E117-E121 PolarHBondContact O-N 3.41Å; E121-L123 VanDerWaalsContact C-N 3.3Å; E121-L123 PolarHBondContact O-N 3.34Å; E121-I124 PolarHBondContact O-N 3.1Å; E121-E125 WeakPolarHBondContact O-CB 3.25Å; E121-E125 PolarHBondContact O-N 3.46Å |
| 122 | A | 92.7 | Very high | 91.6 | Very high | 48 Ų | 48 | 71.9 Ų | 71.9 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.5 | -37.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q118 L120 N126 | Q118-A122 VanDerWaalsContact O-CB 3.31Å; Q118-A122 WeakPolarHBondContact O-CB 3.29Å; Q118-A122 PolarHBondContact O-N 2.78Å; L120-A122 PolarHBondContact O-N 3.46Å; A122-N126 WeakPolarHBondContact O-CB 3.4Å; A122-N126 VanDerWaalsContact O-CG 3.29Å; A122-N126 PolarHBondContact O-N 3.14Å; A122-N126 PolarHBondContact O-ND2 3.44Å |
| 123 | L | 94 | Very high | 91.8 | Very high | 23 Ų | 23 | 70 Ų | 70 | 12% | 0.12 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.4 | -44.2 | 176.2 | -177 | 64.7 | 0 | 0 | 0 | 111.9 | S119 L120 E121 E125 N126 T127 I152 L156 L159 | S119-L123 WeakPolarHBondContact O-CB 3.5Å; S119-L123 PolarHBondContact O-N 3.2Å; L120-L123 PolarHBondContact O-N 2.81Å; E121-L123 VanDerWaalsContact C-N 3.3Å; E121-L123 PolarHBondContact O-N 3.34Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-N126 PolarHBondContact O-N 3.44Å; L123-T127 WeakPolarHBondContact O-CB 3.24Å; L123-T127 PolarHBondContact O-N 2.94Å; L123-T127 PolarHBondContact O-OG1 3.24Å; L123-I152 HydrophobicContact CD1-CB 4.37Å; L123-I152 HydrophobicContact CD1-CG1 4.36Å; L123-I152 HydrophobicContact CD1-CG2 4.12Å; L123-L156 HydrophobicContact CD2-CD2 3.94Å; L123-L159 HydrophobicContact CD2-CD1 3.46Å; L123-L159 VanDerWaalsContact CD2-CD1 3.46Å |
| 124 | I | 94.6 | Very high | 91.9 | Very high | 117 Ų | 117 | 69.1 Ų | 69.1 | 60% | 0.6 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.9 | -45.3 | 176.6 | -68.9 | 165.4 | 0 | 0 | 0 | 109.9 | L120 E121 T127 R128 | L120-I124 VanDerWaalsContact O-CG1 3.28Å; L120-I124 WeakPolarHBondContact O-CG1 3.29Å; L120-I124 PolarHBondContact O-N 3.38Å; E121-I124 PolarHBondContact O-N 3.1Å; I124-T127 WeakPolarHBondContact O-CB 3.28Å; I124-T127 PolarHBondContact O-N 3.18Å; I124-R128 WeakPolarHBondContact O-CB 3.27Å; I124-R128 PolarHBondContact O-N 3.48Å |
| 125 | E | 93.7 | Very high | 92 | Very high | 67 Ų | 67 | 70 Ų | 70 | 31% | 0.313 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 179.3 | -179.3 | 54.6 | -156.1 | 0 | 0 | 112.2 | E121 L123 T127 R128 Q129 | E121-E125 WeakPolarHBondContact O-CB 3.25Å; E121-E125 PolarHBondContact O-N 3.46Å; L123-E125 VanDerWaalsContact C-N 3.34Å; E125-T127 VanDerWaalsContact C-N 3.3Å; E125-T127 PolarHBondContact O-N 3.37Å; E125-R128 PolarHBondContact O-N 3.18Å; E125-R128 IonicContact OE1-CZ 3.44Å; E125-R128 IonicContact OE1-NE 3.41Å; E125-R128 PolarHBondContact OE1-NE 3.27Å; E125-R128 IonicContact OE1-NH2 2.68Å; E125-R128 PolarHBondContact OE1-NH2 2.94Å; E125-R128 IonicContact OE2-CZ 3.59Å; E125-R128 IonicContact OE2-NE 2.79Å; E125-R128 PolarHBondContact OE2-NE 3.06Å; E125-R128 IonicContact OE2-NH2 3.54Å; E125-Q129 WeakPolarHBondContact O-CG 3.47Å; E125-Q129 PolarHBondContact O-N 2.71Å; E125-Q129 PolarHBondContact OE1-NE2 2.92Å |
| 126 | N | 92.3 | Very high | 92 | Very high | 35 Ų | 35 | 72.2 Ų | 72.2 | 19% | 0.187 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 173.2 | -79.2 | -45.8 | 0 | 0 | 0 | 112.1 | A122 L123 Q129 L130 K148 I152 | A122-N126 WeakPolarHBondContact O-CB 3.4Å; A122-N126 VanDerWaalsContact O-CG 3.29Å; A122-N126 PolarHBondContact O-N 3.14Å; A122-N126 PolarHBondContact O-ND2 3.44Å; L123-N126 PolarHBondContact O-N 3.44Å; N126-Q129 PolarHBondContact O-N 2.67Å; N126-L130 WeakPolarHBondContact O-CB 3.47Å; N126-L130 PolarHBondContact O-N 3.08Å; N126-K148 PolarHBondContact OD1-NZ 2.71Å; N126-I152 HydrophobicContact CB-CG1 4.1Å |
| 127 | T | 93.3 | Very high | 91.9 | Very high | 58 Ų | 58 | 75.3 Ų | 75.3 | 36% | 0.356 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.6 | -44.1 | 175.6 | -55.6 | 0 | 0 | 0 | 0 | 111 | L123 I124 E125 Q129 L130 C131 | L123-T127 WeakPolarHBondContact O-CB 3.24Å; L123-T127 PolarHBondContact O-N 2.94Å; L123-T127 PolarHBondContact O-OG1 3.24Å; I124-T127 WeakPolarHBondContact O-CB 3.28Å; I124-T127 PolarHBondContact O-N 3.18Å; E125-T127 VanDerWaalsContact C-N 3.3Å; E125-T127 PolarHBondContact O-N 3.37Å; T127-Q129 PolarHBondContact O-N 3.38Å; T127-L130 WeakPolarHBondContact O-CB 3.47Å; T127-L130 PolarHBondContact O-N 2.93Å; T127-C131 PolarHBondContact O-N 2.97Å; T127-C131 PolarHBondContact O-SG 2.9Å; T127-C131 VanDerWaalsContact O-SG 3.34Å |
| 128 | R | 93.3 | Very high | 91.7 | Very high | 116 Ų | 116 | 76.2 Ų | 76.2 | 44% | 0.438 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 175.3 | -169.1 | -168.2 | 71.3 | 77.1 | 1.9 | 111.6 | I124 E125 C131 M132 | I124-R128 WeakPolarHBondContact O-CB 3.27Å; I124-R128 PolarHBondContact O-N 3.48Å; E125-R128 PolarHBondContact O-N 3.18Å; E125-R128 IonicContact OE1-CZ 3.44Å; E125-R128 IonicContact OE1-NE 3.41Å; E125-R128 PolarHBondContact OE1-NE 3.27Å; E125-R128 IonicContact OE1-NH2 2.68Å; E125-R128 PolarHBondContact OE1-NH2 2.94Å; E125-R128 IonicContact OE2-CZ 3.59Å; E125-R128 IonicContact OE2-NE 2.79Å; E125-R128 PolarHBondContact OE2-NE 3.06Å; E125-R128 IonicContact OE2-NH2 3.54Å; R128-C131 PolarHBondContact O-N 3.16Å; R128-M132 PolarHBondContact NH1-SD 2.83Å; R128-M132 WeakPolarHBondContact O-CG 3.48Å; R128-M132 PolarHBondContact O-N 3.38Å |
| 129 | Q | 90.9 | Very high | 91.4 | Very high | 56 Ų | 56 | 75.2 Ų | 75.2 | 26% | 0.262 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 176.6 | -69.6 | 178.7 | 23.1 | 0 | 0 | 112.3 | E125 N126 T127 C131 M132 V133 K148 | E125-Q129 WeakPolarHBondContact O-CG 3.47Å; E125-Q129 PolarHBondContact O-N 2.71Å; E125-Q129 PolarHBondContact OE1-NE2 2.92Å; N126-Q129 PolarHBondContact O-N 2.67Å; T127-Q129 PolarHBondContact O-N 3.38Å; Q129-C131 VanDerWaalsContact C-N 3.35Å; Q129-M132 HydrophobicContact CB-CE 4.21Å; Q129-M132 HydrophobicContact CG-CE 3.78Å; Q129-M132 PolarHBondContact O-N 3.5Å; Q129-V133 WeakPolarHBondContact O-CG2 3.49Å; Q129-V133 PolarHBondContact O-N 3.4Å; Q129-K148 HydrophobicContact CB-CD 4.3Å |
| 130 | L | 91.6 | Very high | 91.2 | Very high | 33 Ų | 33 | 78.3 Ų | 78.3 | 17% | 0.173 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 172.1 | -176.9 | 74.5 | 0 | 0 | 0 | 111 | N126 T127 M132 V133 A134 L145 K148 L149 I152 | N126-L130 WeakPolarHBondContact O-CB 3.47Å; N126-L130 PolarHBondContact O-N 3.08Å; T127-L130 WeakPolarHBondContact O-CB 3.47Å; T127-L130 PolarHBondContact O-N 2.93Å; L130-M132 VanDerWaalsContact C-N 3.34Å; L130-M132 PolarHBondContact O-N 2.85Å; L130-V133 PolarHBondContact O-N 3.06Å; L130-A134 VanDerWaalsContact O-CB 3.28Å; L130-A134 WeakPolarHBondContact O-CB 3.44Å; L130-A134 PolarHBondContact O-N 3.38Å; L130-L145 HydrophobicContact CD1-CD1 3.44Å; L130-L145 VanDerWaalsContact CD1-CD1 3.44Å; L130-L145 HydrophobicContact CD1-CG 4.22Å; L130-K148 HydrophobicContact CB-CB 4.37Å; L130-K148 HydrophobicContact CD1-CB 3.94Å; L130-L149 HydrophobicContact CD1-CD2 4.16Å; L130-L149 HydrophobicContact CD1-CG 4.1Å; L130-L149 HydrophobicContact CD2-CD2 4.05Å; L130-I152 HydrophobicContact CB-CD1 4.01Å; L130-I152 HydrophobicContact CD2-CD1 3.55Å; L130-I152 HydrophobicContact CG-CD1 4.3Å |
| 131 | C | 91.2 | Very high | 90.9 | Very high | 71 Ų | 71 | 75.6 Ų | 75.6 | 48% | 0.48 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 178 | -68.1 | 0 | 0 | 0 | 0 | 112.8 | T127 R128 Q129 A134 S135 | T127-C131 PolarHBondContact O-N 2.97Å; T127-C131 PolarHBondContact O-SG 2.9Å; T127-C131 VanDerWaalsContact O-SG 3.34Å; R128-C131 PolarHBondContact O-N 3.16Å; Q129-C131 VanDerWaalsContact C-N 3.35Å; C131-A134 PolarHBondContact O-N 3.39Å; C131-S135 WeakPolarHBondContact O-CB 3.45Å; C131-S135 PolarHBondContact O-N 3.23Å; C131-S135 PolarHBondContact O-OG 3.39Å |
| 132 | M | 89.8 | Confident | 90.6 | Very high | 89 Ų | 89 | 73.7 Ų | 73.7 | 44% | 0.438 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.4 | -49.2 | 175 | -69 | -170.7 | -63.7 | 0 | 0 | 111.6 | R128 Q129 L130 A134 S135 D136 | R128-M132 PolarHBondContact NH1-SD 2.83Å; R128-M132 WeakPolarHBondContact O-CG 3.48Å; R128-M132 PolarHBondContact O-N 3.38Å; Q129-M132 HydrophobicContact CB-CE 4.21Å; Q129-M132 HydrophobicContact CG-CE 3.78Å; Q129-M132 PolarHBondContact O-N 3.5Å; L130-M132 VanDerWaalsContact C-N 3.34Å; L130-M132 PolarHBondContact O-N 2.85Å; M132-A134 VanDerWaalsContact C-N 3.28Å; M132-A134 PolarHBondContact O-N 3.07Å; M132-S135 PolarHBondContact O-N 3.22Å; M132-D136 PolarHBondContact O-N 2.94Å; M132-D136 VanDerWaalsContact O-N 3.13Å |
| 133 | V | 90.3 | Very high | 90.4 | Very high | 28 Ų | 28 | 74.8 Ų | 74.8 | 17% | 0.17 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.5 | -33.8 | 179.4 | 175.8 | 0 | 0 | 0 | 0 | 111.8 | Q129 L130 D136 F137 V144 L145 | Q129-V133 WeakPolarHBondContact O-CG2 3.49Å; Q129-V133 PolarHBondContact O-N 3.4Å; L130-V133 PolarHBondContact O-N 3.06Å; V133-D136 CarbonylContact O-C 3.6Å; V133-F137 WeakPolarHBondContact O-CA 3.4Å; V133-F137 PolarHBondContact O-N 3.22Å; V133-V144 HydrophobicContact CG2-CG1 4.2Å; V133-L145 HydrophobicContact CG1-CB 4.2Å; V133-L145 HydrophobicContact CG1-CD1 4.01Å |
| 134 | A | 90.2 | Very high | 90.2 | Very high | 63 Ų | 63 | 76.4 Ų | 76.4 | 52% | 0.521 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -73 | -30.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L130 C131 M132 | L130-A134 VanDerWaalsContact O-CB 3.28Å; L130-A134 WeakPolarHBondContact O-CB 3.44Å; L130-A134 PolarHBondContact O-N 3.38Å; C131-A134 PolarHBondContact O-N 3.39Å; M132-A134 VanDerWaalsContact C-N 3.28Å; M132-A134 PolarHBondContact O-N 3.07Å |
| 135 | S | 91.1 | Very high | 90 | Very high | 94 Ų | 94 | 72.2 Ų | 72.2 | 66% | 0.657 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -73.7 | -42.3 | 177.9 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | C131 M132 | C131-S135 WeakPolarHBondContact O-CB 3.45Å; C131-S135 PolarHBondContact O-N 3.23Å; C131-S135 PolarHBondContact O-OG 3.39Å; M132-S135 PolarHBondContact O-N 3.22Å |
| 136 | D | 90 | Very high | 89.9 | Confident | 137 Ų | 137 | 72.5 Ų | 72.5 | 73% | 0.733 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | 60.4 | 179.6 | -69.6 | -35.4 | 0 | 0 | 0 | 111.5 | M132 V133 Q138 | M132-D136 PolarHBondContact O-N 2.94Å; M132-D136 VanDerWaalsContact O-N 3.13Å; V133-D136 CarbonylContact O-C 3.6Å; D136-Q138 PolarHBondContact O-N 3.13Å |
| 137 | F | 88.2 | Confident | 89.9 | Confident | 105 Ų | 105 | 76.8 Ų | 76.8 | 46% | 0.461 | 44% | 0.436 | S | S | . | . | trans | -71.2 | 128.8 | -174.2 | -175.1 | -99 | 0 | 0 | 0 | 112.8 | V133 Q142 L145 | V133-F137 WeakPolarHBondContact O-CA 3.4Å; V133-F137 PolarHBondContact O-N 3.22Å; F137-Q142 HydrophobicContact CE2-CB 4.45Å; F137-Q142 VanDerWaalsContact CE2-OE1 3.25Å; F137-Q142 HydrophobicContact CZ-CB 4.25Å; F137-L145 HydrophobicContact CE2-CD2 4.26Å | ||
| 138 | Q | 87.6 | Confident | 89.8 | Confident | 129 Ų | 129 | 75.8 Ų | 75.8 | 60% | 0.603 | 43% | 0.427 | S | S | * | . | trans | -125.3 | 154.6 | 174 | -64.8 | -177 | -15 | 0 | 0 | 110.5 | D136 S140 S141 | D136-Q138 PolarHBondContact O-N 3.13Å; Q138-S140 PolarHBondContact O-N 3.31Å; Q138-S140 VanDerWaalsContact O-N 3.13Å; Q138-S141 PolarHBondContact N-OG 3.36Å; Q138-S141 PolarHBondContact O-N 3.09Å; Q138-S141 PolarHBondContact O-OG 3.42Å | ||
| 139 | A | 86.9 | Confident | 89.7 | Confident | 98 Ų | 98 | 74 Ų | 74 | 81% | 0.81 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -58.6 | -30.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S141 | A139-S141 VanDerWaalsContact C-N 3.34Š|
| 140 | S | 86.3 | Confident | 89.9 | Confident | 87 Ų | 87 | 77.3 Ų | 77.3 | 61% | 0.608 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -71.6 | -22.5 | 174.3 | 50.5 | 0 | 0 | 0 | 0 | 113.8 | Q138 | Q138-S140 PolarHBondContact O-N 3.31Å; Q138-S140 VanDerWaalsContact O-N 3.13Å |
| 141 | S | 86.7 | Confident | 90 | Very high | 17 Ų | 17 | 77 Ų | 77 | 12% | 0.119 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -88.6 | -4 | -175 | 68.9 | 0 | 0 | 0 | 0 | 114.1 | Q138 A139 S143 V144 L145 | Q138-S141 PolarHBondContact N-OG 3.36Å; Q138-S141 PolarHBondContact O-N 3.09Å; Q138-S141 PolarHBondContact O-OG 3.42Å; A139-S141 VanDerWaalsContact C-N 3.34Å; S141-S143 VanDerWaalsContact C-N 3.3Å; S141-S143 PolarHBondContact O-N 3.36Å; S141-V144 PolarHBondContact O-N 3.45Å; S141-L145 PolarHBondContact O-N 2.87Å |
| 142 | Q | 87.2 | Confident | 90.1 | Very high | 77 Ų | 77 | 75 Ų | 75 | 36% | 0.36 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60 | -37.3 | 179 | -175.7 | 61.9 | 35.6 | 0 | 0 | 112.9 | F137 L145 N146 | F137-Q142 HydrophobicContact CE2-CB 4.45Å; F137-Q142 VanDerWaalsContact CE2-OE1 3.25Å; F137-Q142 HydrophobicContact CZ-CB 4.25Å; Q142-L145 PolarHBondContact O-N 3.02Å; Q142-N146 PolarHBondContact NE2-OD1 2.95Å; Q142-N146 PolarHBondContact O-N 3.16Å; Q142-N146 PolarHBondContact O-ND2 3.13Å |
| 143 | S | 89.8 | Confident | 90.3 | Very high | 70 Ų | 70 | 74.2 Ų | 74.2 | 49% | 0.49 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 177 | 58.5 | 0 | 0 | 0 | 0 | 111.3 | S141 N146 Q147 | S141-S143 VanDerWaalsContact C-N 3.3Å; S141-S143 PolarHBondContact O-N 3.36Å; S143-N146 PolarHBondContact O-N 2.91Å; S143-Q147 VanDerWaalsContact O-CG 3.3Å; S143-Q147 WeakPolarHBondContact O-CG 3.36Å; S143-Q147 PolarHBondContact O-N 2.73Å |
| 144 | V | 89.7 | Confident | 90.5 | Very high | 57 Ų | 57 | 77.5 Ų | 77.5 | 35% | 0.345 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 176.7 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | V133 S141 N146 Q147 K148 | V133-V144 HydrophobicContact CG2-CG1 4.2Å; S141-V144 PolarHBondContact O-N 3.45Å; V144-N146 PolarHBondContact O-N 3.06Å; V144-Q147 WeakPolarHBondContact O-CB 3.48Å; V144-Q147 PolarHBondContact O-N 3.33Å; V144-K148 HydrophobicContact CG1-CG 4.47Å; V144-K148 WeakPolarHBondContact O-CG 3.36Å; V144-K148 PolarHBondContact O-N 3.47Å |
| 145 | L | 90.3 | Very high | 90.6 | Very high | 30 Ų | 30 | 75.3 Ų | 75.3 | 16% | 0.157 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -57.9 | -49.6 | 175.6 | -171.4 | 80.3 | 0 | 0 | 0 | 111.3 | L130 V133 F137 S141 Q142 Q147 K148 L149 | L130-L145 HydrophobicContact CD1-CD1 3.44Å; L130-L145 VanDerWaalsContact CD1-CD1 3.44Å; L130-L145 HydrophobicContact CD1-CG 4.22Å; V133-L145 HydrophobicContact CG1-CB 4.2Å; V133-L145 HydrophobicContact CG1-CD1 4.01Å; F137-L145 HydrophobicContact CE2-CD2 4.26Å; S141-L145 PolarHBondContact O-N 2.87Å; Q142-L145 PolarHBondContact O-N 3.02Å; L145-Q147 VanDerWaalsContact C-N 3.33Å; L145-Q147 PolarHBondContact O-N 2.65Å; L145-K148 PolarHBondContact O-N 3.44Å; L145-K148 VanDerWaalsContact O-N 3.12Å; L145-L149 HydrophobicContact CG-CD1 4.32Å; L145-L149 WeakPolarHBondContact O-CG 3.37Å; L145-L149 PolarHBondContact O-N 3.42Å |
| 146 | N | 91 | Very high | 90.7 | Very high | 73 Ų | 73 | 75.5 Ų | 75.5 | 39% | 0.39 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 178.2 | -73 | -21.1 | 0 | 0 | 0 | 111.9 | Q142 S143 V144 K148 L149 Q150 | Q142-N146 PolarHBondContact NE2-OD1 2.95Å; Q142-N146 PolarHBondContact O-N 3.16Å; Q142-N146 PolarHBondContact O-ND2 3.13Å; S143-N146 PolarHBondContact O-N 2.91Å; V144-N146 PolarHBondContact O-N 3.06Å; N146-K148 VanDerWaalsContact C-N 3.31Å; N146-K148 PolarHBondContact O-N 3.07Å; N146-L149 PolarHBondContact O-N 3.25Å; N146-Q150 WeakPolarHBondContact O-CG 3.34Å; N146-Q150 PolarHBondContact O-N 3.14Å |
| 147 | Q | 92.1 | Very high | 90.8 | Very high | 124 Ų | 124 | 75 Ų | 75 | 58% | 0.579 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.6 | -40.9 | 173.7 | -74 | 174.1 | 1.1 | 0 | 0 | 111.6 | S143 V144 L145 Q150 A151 | S143-Q147 VanDerWaalsContact O-CG 3.3Å; S143-Q147 WeakPolarHBondContact O-CG 3.36Å; S143-Q147 PolarHBondContact O-N 2.73Å; V144-Q147 WeakPolarHBondContact O-CB 3.48Å; V144-Q147 PolarHBondContact O-N 3.33Å; L145-Q147 VanDerWaalsContact C-N 3.33Å; L145-Q147 PolarHBondContact O-N 2.65Å; Q147-Q150 PolarHBondContact O-N 3.35Å; Q147-A151 WeakPolarHBondContact O-CB 3.38Å; Q147-A151 PolarHBondContact O-N 3.44Å |
| 148 | K | 91.4 | Very high | 90.9 | Very high | 38 Ų | 38 | 72.9 Ų | 72.9 | 17% | 0.165 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -71.5 | -37.8 | 178.4 | -68.7 | -63.8 | 173 | -171.4 | 0 | 113.3 | N126 Q129 L130 V144 L145 N146 Q150 A151 I152 | N126-K148 PolarHBondContact OD1-NZ 2.71Å; Q129-K148 HydrophobicContact CB-CD 4.3Å; L130-K148 HydrophobicContact CB-CB 4.37Å; L130-K148 HydrophobicContact CD1-CB 3.94Å; V144-K148 HydrophobicContact CG1-CG 4.47Å; V144-K148 WeakPolarHBondContact O-CG 3.36Å; V144-K148 PolarHBondContact O-N 3.47Å; L145-K148 PolarHBondContact O-N 3.44Å; L145-K148 VanDerWaalsContact O-N 3.12Å; N146-K148 VanDerWaalsContact C-N 3.31Å; N146-K148 PolarHBondContact O-N 3.07Å; K148-Q150 VanDerWaalsContact C-N 3.34Å; K148-A151 PolarHBondContact O-N 3.26Å; K148-I152 WeakPolarHBondContact O-CG1 3.32Å; K148-I152 PolarHBondContact O-N 3.46Å |
| 149 | L | 92.4 | Very high | 91 | Very high | 79 Ų | 79 | 68.3 Ų | 68.3 | 41% | 0.414 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 171.9 | -73.7 | 170.4 | 0 | 0 | 0 | 111.7 | L130 L145 N146 I152 T153 | L130-L149 HydrophobicContact CD1-CD2 4.16Å; L130-L149 HydrophobicContact CD1-CG 4.1Å; L130-L149 HydrophobicContact CD2-CD2 4.05Å; L145-L149 HydrophobicContact CG-CD1 4.32Å; L145-L149 WeakPolarHBondContact O-CG 3.37Å; L145-L149 PolarHBondContact O-N 3.42Å; N146-L149 PolarHBondContact O-N 3.25Å; L149-I152 PolarHBondContact O-N 2.83Å; L149-T153 WeakPolarHBondContact O-CB 3.41Å; L149-T153 PolarHBondContact O-N 3.32Å; L149-T153 PolarHBondContact O-OG1 3.5Å |
| 150 | Q | 94.1 | Very high | 91.2 | Very high | 124 Ų | 124 | 69 Ų | 69 | 58% | 0.579 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.9 | -42 | 174.2 | -72.4 | 177.3 | -1.3 | 0 | 0 | 111.8 | N146 Q147 K148 I152 T153 N154 | N146-Q150 WeakPolarHBondContact O-CG 3.34Å; N146-Q150 PolarHBondContact O-N 3.14Å; Q147-Q150 PolarHBondContact O-N 3.35Å; K148-Q150 VanDerWaalsContact C-N 3.34Å; Q150-I152 VanDerWaalsContact C-N 3.35Å; Q150-I152 PolarHBondContact O-N 3.13Å; Q150-T153 PolarHBondContact O-N 3.34Å; Q150-N154 WeakPolarHBondContact O-CB 3.29Å; Q150-N154 PolarHBondContact O-N 2.93Å; Q150-N154 PolarHBondContact O-ND2 3.3Å |
| 151 | A | 92.9 | Very high | 91.4 | Very high | 28 Ų | 28 | 68.1 Ų | 68.1 | 23% | 0.231 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q147 K148 G155 | Q147-A151 WeakPolarHBondContact O-CB 3.38Å; Q147-A151 PolarHBondContact O-N 3.44Å; K148-A151 PolarHBondContact O-N 3.26Å; A151-G155 PolarHBondContact O-N 2.87Å |
| 152 | I | 93.6 | Very high | 91.4 | Very high | 27 Ų | 27 | 69.1 Ų | 69.1 | 14% | 0.138 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 175.8 | -69.7 | 164.2 | 0 | 0 | 0 | 110.8 | L123 N126 L130 K148 L149 Q150 N154 G155 L156 | L123-I152 HydrophobicContact CD1-CB 4.37Å; L123-I152 HydrophobicContact CD1-CG1 4.36Å; L123-I152 HydrophobicContact CD1-CG2 4.12Å; N126-I152 HydrophobicContact CB-CG1 4.1Å; L130-I152 HydrophobicContact CB-CD1 4.01Å; L130-I152 HydrophobicContact CD2-CD1 3.55Å; L130-I152 HydrophobicContact CG-CD1 4.3Å; K148-I152 WeakPolarHBondContact O-CG1 3.32Å; K148-I152 PolarHBondContact O-N 3.46Å; L149-I152 PolarHBondContact O-N 2.83Å; Q150-I152 VanDerWaalsContact C-N 3.35Å; Q150-I152 PolarHBondContact O-N 3.13Å; I152-N154 PolarHBondContact O-N 2.85Å; I152-G155 PolarHBondContact O-N 3.03Å; I152-L156 HydrophobicContact CG2-CD1 4.17Å; I152-L156 WeakPolarHBondContact O-CG 3.38Å; I152-L156 PolarHBondContact O-N 3.03Å |
| 153 | T | 94.2 | Very high | 91.3 | Very high | 74 Ų | 74 | 72.1 Ų | 72.1 | 45% | 0.454 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 178.3 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | L149 Q150 G155 L156 Q157 | L149-T153 WeakPolarHBondContact O-CB 3.41Å; L149-T153 PolarHBondContact O-N 3.32Å; L149-T153 PolarHBondContact O-OG1 3.5Å; Q150-T153 PolarHBondContact O-N 3.34Å; T153-G155 VanDerWaalsContact C-N 3.34Å; T153-L156 PolarHBondContact O-N 2.84Å; T153-Q157 WeakPolarHBondContact O-CG 3.3Å; T153-Q157 PolarHBondContact O-N 3.46Å |
| 154 | N | 93.8 | Very high | 91 | Very high | 97 Ų | 97 | 72.2 Ų | 72.2 | 52% | 0.519 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 175.8 | -67 | -13 | 0 | 0 | 0 | 111.4 | Q150 I152 Q157 D158 | Q150-N154 WeakPolarHBondContact O-CB 3.29Å; Q150-N154 PolarHBondContact O-N 2.93Å; Q150-N154 PolarHBondContact O-ND2 3.3Å; I152-N154 PolarHBondContact O-N 2.85Å; N154-Q157 PolarHBondContact O-N 3.29Å; N154-D158 VanDerWaalsContact O-CB 3.32Å; N154-D158 WeakPolarHBondContact O-CB 3.44Å; N154-D158 PolarHBondContact O-N 3.49Å |
| 155 | G | 93 | Very high | 90.8 | Very high | 17 Ų | 17 | 75.8 Ų | 75.8 | 18% | 0.175 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A151 I152 T153 D158 L159 | A151-G155 PolarHBondContact O-N 2.87Å; I152-G155 PolarHBondContact O-N 3.03Å; T153-G155 VanDerWaalsContact C-N 3.34Å; G155-D158 PolarHBondContact O-N 3.06Å; G155-L159 WeakPolarHBondContact O-CG 3.48Å; G155-L159 PolarHBondContact O-N 3.38Å |
| 156 | L | 93.1 | Very high | 90.5 | Very high | 98 Ų | 98 | 75.8 Ų | 75.8 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 175.3 | -70.9 | 172.5 | 0 | 0 | 0 | 112.2 | L123 I152 T153 L159 D160 | L123-L156 HydrophobicContact CD2-CD2 3.94Å; I152-L156 HydrophobicContact CG2-CD1 4.17Å; I152-L156 WeakPolarHBondContact O-CG 3.38Å; I152-L156 PolarHBondContact O-N 3.03Å; T153-L156 PolarHBondContact O-N 2.84Å; L156-L159 PolarHBondContact O-N 3.39Å; L156-D160 PolarHBondContact O-N 3.17Å |
| 157 | Q | 93.1 | Very high | 90 | Very high | 126 Ų | 126 | 79.4 Ų | 79.4 | 59% | 0.589 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.3 | -40.2 | 174.4 | -73.2 | 178.8 | -9.7 | 0 | 0 | 112 | T153 N154 D160 S161 | T153-Q157 WeakPolarHBondContact O-CG 3.3Å; T153-Q157 PolarHBondContact O-N 3.46Å; N154-Q157 PolarHBondContact O-N 3.29Å; Q157-D160 PolarHBondContact O-N 2.75Å; Q157-S161 PolarHBondContact O-N 3.48Å |
| 158 | D | 90.5 | Very high | 89.6 | Confident | 60 Ų | 60 | 78.2 Ų | 78.2 | 32% | 0.321 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 176.3 | 175.7 | 59.6 | 0 | 0 | 0 | 111.7 | N154 G155 D160 S161 K162 | N154-D158 VanDerWaalsContact O-CB 3.32Å; N154-D158 WeakPolarHBondContact O-CB 3.44Å; N154-D158 PolarHBondContact O-N 3.49Å; G155-D158 PolarHBondContact O-N 3.06Å; D158-D160 PolarHBondContact O-N 2.99Å; D158-S161 PolarHBondContact O-N 3.03Å; D158-S161 PolarHBondContact O-OG 3.19Å; D158-K162 VanDerWaalsContact CG-NZ 3.27Å; D158-K162 WeakPolarHBondContact O-CG 3.49Å; D158-K162 PolarHBondContact O-N 3.33Å; D158-K162 VanDerWaalsContact O-N 3.07Å; D158-K162 WeakPolarHBondContact OD1-CE 3.43Å; D158-K162 IonicContact OD1-NZ 2.76Å; D158-K162 PolarHBondContact OD1-NZ 2.99Å; D158-K162 VanDerWaalsContact OD1-NZ 3.14Å; D158-K162 WeakPolarHBondContact OD2-CE 3.49Å; D158-K162 IonicContact OD2-NZ 3.14Å; D158-K162 PolarHBondContact OD2-NZ 2.74Å |
| 159 | L | 89.9 | Confident | 89.3 | Confident | 34 Ų | 34 | 79.4 Ų | 79.4 | 18% | 0.178 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 173.6 | -73.5 | 178.5 | 0 | 0 | 0 | 112.6 | L116 L120 L123 G155 L156 S161 K162 K163 | L116-L159 HydrophobicContact CD1-CD2 3.76Å; L120-L159 HydrophobicContact CD2-CD1 3.83Å; L120-L159 HydrophobicContact CD2-CD2 3.85Å; L120-L159 HydrophobicContact CG-CD2 4.09Å; L123-L159 HydrophobicContact CD2-CD1 3.46Å; L123-L159 VanDerWaalsContact CD2-CD1 3.46Å; G155-L159 WeakPolarHBondContact O-CG 3.48Å; G155-L159 PolarHBondContact O-N 3.38Å; L156-L159 PolarHBondContact O-N 3.39Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 3.43Å; L159-K162 PolarHBondContact O-N 2.84Å; L159-K163 PolarHBondContact O-N 3.21Å; L159-K163 VanDerWaalsContact O-N 3.09Å |
| 160 | D | 90.2 | Very high | 88.9 | Confident | 112 Ų | 112 | 84.9 Ų | 84.9 | 60% | 0.599 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64 | -40.3 | 177.4 | -168.6 | 56.5 | 0 | 0 | 0 | 111.5 | L156 Q157 D158 K162 K163 | L156-D160 PolarHBondContact O-N 3.17Å; Q157-D160 PolarHBondContact O-N 2.75Å; D158-D160 PolarHBondContact O-N 2.99Å; D160-K162 VanDerWaalsContact C-N 3.3Å; D160-K162 PolarHBondContact O-N 2.69Å; D160-K163 VanDerWaalsContact O-CB 3.28Å; D160-K163 WeakPolarHBondContact O-CB 3.44Å; D160-K163 PolarHBondContact O-N 3.5Å |
| 161 | S | 89.7 | Confident | 88.6 | Confident | 69 Ų | 69 | 83.8 Ų | 83.8 | 48% | 0.483 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.6 | -36.5 | 175.7 | 81.9 | 0 | 0 | 0 | 0 | 112.9 | Q157 D158 L159 S164 | Q157-S161 PolarHBondContact O-N 3.48Å; D158-S161 PolarHBondContact O-N 3.03Å; D158-S161 PolarHBondContact O-OG 3.19Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 3.43Å; S161-S164 PolarHBondContact O-OG 3.25Å |
| 162 | K | 86.5 | Confident | 88.4 | Confident | 37 Ų | 37 | 85.2 Ų | 85.2 | 16% | 0.161 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -76.5 | -25.2 | -179 | -74.9 | 169.8 | 178.2 | 163.2 | 0 | 113.2 | S119 D158 L159 D160 S164 K165 F166 | S119-K162 PolarHBondContact OG-NZ 2.86Å; D158-K162 VanDerWaalsContact CG-NZ 3.27Å; D158-K162 WeakPolarHBondContact O-CG 3.49Å; D158-K162 PolarHBondContact O-N 3.33Å; D158-K162 VanDerWaalsContact O-N 3.07Å; D158-K162 WeakPolarHBondContact OD1-CE 3.43Å; D158-K162 IonicContact OD1-NZ 2.76Å; D158-K162 PolarHBondContact OD1-NZ 2.99Å; D158-K162 VanDerWaalsContact OD1-NZ 3.14Å; D158-K162 WeakPolarHBondContact OD2-CE 3.49Å; D158-K162 IonicContact OD2-NZ 3.14Å; D158-K162 PolarHBondContact OD2-NZ 2.74Å; L159-K162 PolarHBondContact O-N 2.84Å; D160-K162 VanDerWaalsContact C-N 3.3Å; D160-K162 PolarHBondContact O-N 2.69Å; K162-S164 PolarHBondContact O-N 2.9Å; K162-S164 VanDerWaalsContact O-N 3.09Å; K162-K165 WeakPolarHBondContact O-CB 3.19Å; K162-K165 PolarHBondContact O-N 3.03Å; K162-F166 WeakPolarHBondContact O-CD2 3.42Å |
| 163 | K | 86.2 | Confident | 88.2 | Confident | 140 Ų | 140 | 90.7 Ų | 90.7 | 61% | 0.609 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -48.5 | -38.5 | 178.1 | -177.1 | -178.9 | 176.1 | -179.8 | 0 | 113.3 | L159 D160 K165 F166 | L159-K163 PolarHBondContact O-N 3.21Å; L159-K163 VanDerWaalsContact O-N 3.09Å; D160-K163 VanDerWaalsContact O-CB 3.28Å; D160-K163 WeakPolarHBondContact O-CB 3.44Å; D160-K163 PolarHBondContact O-N 3.5Å; K163-K165 PolarHBondContact O-N 3.06Å; K163-K165 VanDerWaalsContact O-N 3.15Å; K163-F166 PolarHBondContact O-N 3.35Å |
| 164 | S | 83.1 | Confident | 87.8 | Confident | 73 Ų | 73 | 92.6 Ų | 92.6 | 51% | 0.51 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -59.2 | -23.3 | 179.2 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | S161 K162 F166 H167 | S161-S164 PolarHBondContact O-OG 3.25Å; K162-S164 PolarHBondContact O-N 2.9Å; K162-S164 VanDerWaalsContact O-N 3.09Å; S164-F166 VanDerWaalsContact C-N 3.32Å; S164-F166 PolarHBondContact O-N 3.4Å; S164-H167 PolarHBondContact O-CD2 2.91Å |
| 165 | K | 84.5 | Confident | 87.7 | Confident | 131 Ų | 131 | 89.6 Ų | 89.6 | 57% | 0.57 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -82.2 | -5.8 | -177.7 | -60.7 | -178.1 | 179.4 | 178.5 | 0 | 114.3 | R112 K162 K163 | R112-K165 PolarHBondContact NH1-O 3.02Å; K162-K165 WeakPolarHBondContact O-CB 3.19Å; K162-K165 PolarHBondContact O-N 3.03Å; K163-K165 PolarHBondContact O-N 3.06Å; K163-K165 VanDerWaalsContact O-N 3.15Å |
| 166 | F | 85.3 | Confident | 87.6 | Confident | 31 Ų | 31 | 93.1 Ų | 93.1 | 14% | 0.136 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -121 | 17.5 | -171.4 | -61.1 | -81.6 | 0 | 0 | 0 | 114 | R112 F113 L116 K162 K163 S164 D168 V169 | R112-F166 HydrophobicContact CB-CE1 4.41Å; R112-F166 HydrophobicContact CB-CZ 4.37Å; R112-F166 HydrophobicContact CG-CE1 4.17Å; R112-F166 WeakPolarHBondContact O-CZ 3.42Å; F113-F166 HydrophobicContact CD1-CD1 4.09Å; F113-F166 AromaticContact CD1-CE1 3.52Å; F113-F166 HydrophobicContact CD1-CE1 3.52Å; F113-F166 HydrophobicContact CD1-CZ 4.47Å; F113-F166 AromaticContact CE1-CD1 3.62Å; F113-F166 HydrophobicContact CE1-CD1 3.62Å; F113-F166 AromaticContact CE1-CE1 3.53Å; F113-F166 HydrophobicContact CE1-CE1 3.53Å; F113-F166 HydrophobicContact CG-CE1 4.26Å; F113-F166 HydrophobicContact CZ-CD1 4.27Å; F113-F166 HydrophobicContact CZ-CE1 4.28Å; L116-F166 HydrophobicContact CB-CE2 4.22Å; L116-F166 HydrophobicContact CB-CZ 3.83Å; L116-F166 HydrophobicContact CD1-CE2 4.41Å; L116-F166 HydrophobicContact CD2-CD2 4.35Å; L116-F166 HydrophobicContact CD2-CE1 4.25Å; L116-F166 HydrophobicContact CD2-CE2 3.81Å; L116-F166 HydrophobicContact CD2-CZ 3.75Å; L116-F166 HydrophobicContact CG-CE2 4.37Å; L116-F166 HydrophobicContact CG-CZ 4.33Å; K162-F166 WeakPolarHBondContact O-CD2 3.42Å; K163-F166 PolarHBondContact O-N 3.35Å; S164-F166 VanDerWaalsContact C-N 3.32Å; S164-F166 PolarHBondContact O-N 3.4Å; F166-D168 WeakPolarHBondContact CA-OD1 3.45Å; F166-D168 PolarHBondContact O-N 3.46Å; F166-D168 VanDerWaalsContact O-N 3.12Å; F166-V169 HydrophobicContact CD1-CG2 4.47Å; F166-V169 PolarHBondContact O-N 3.23Å |
| 167 | H | 79.4 | Confident | 87.4 | Confident | 149 Ų | 149 | 94.8 Ų | 94.8 | 69% | 0.69 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18.5 | 177.6 | -73 | -61.6 | 0 | 0 | 0 | 114.1 | S164 V169 | S164-H167 PolarHBondContact O-CD2 2.91Å; H167-V169 VanDerWaalsContact C-N 3.32Å |
| 168 | D | 84.6 | Confident | 87.2 | Confident | 99 Ų | 99 | 91.1 Ų | 91.1 | 53% | 0.529 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -18.6 | 175 | 61.5 | -51.8 | 0 | 0 | 0 | 113.4 | R112 F166 | R112-D168 IonicContact CZ-OD1 2.65Å; R112-D168 IonicContact CZ-OD2 3.14Å; R112-D168 IonicContact NH1-OD1 3.83Å; R112-D168 PolarHBondContact NH1-OD1 3.46Å; R112-D168 IonicContact NH1-OD2 3.22Å; R112-D168 PolarHBondContact NH1-OD2 3.44Å; R112-D168 IonicContact NH2-OD1 3.08Å; R112-D168 IonicContact NH2-OD2 2.73Å; R112-D168 PolarHBondContact NH2-OD2 2.85Å; F166-D168 WeakPolarHBondContact CA-OD1 3.45Å; F166-D168 PolarHBondContact O-N 3.46Å; F166-D168 VanDerWaalsContact O-N 3.12Å |
| 169 | V | 85.5 | Confident | 87.3 | Confident | 63 Ų | 63 | 92 Ų | 92 | 38% | 0.382 | 47% | 0.47 | S | S | . | . | trans | -93.9 | 108.9 | -178.1 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | F113 F166 H167 | F113-V169 HydrophobicContact CE1-CG2 4.11Å; F113-V169 HydrophobicContact CZ-CG2 3.78Å; F166-V169 HydrophobicContact CD1-CG2 4.47Å; F166-V169 PolarHBondContact O-N 3.23Å; H167-V169 VanDerWaalsContact C-N 3.32Å | ||
| 170 | K | 84.6 | Confident | 87.3 | Confident | 194 Ų | 194 | 96.3 Ų | 96.3 | 84% | 0.843 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -94.2 | 119.8 | 174.1 | -64.9 | -176.9 | -178.1 | -179.6 | 0 | 110.2 | ||
| 171 | V | 86.2 | Confident | 87.5 | Confident | 101 Ų | 101 | 94.8 Ų | 94.8 | 61% | 0.612 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -94.9 | 119.9 | 176.3 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | L175 | V171-L175 HydrophobicContact CG1-CB 4.49Å; V171-L175 HydrophobicContact CG1-CD2 4.04Å |
| 172 | P | 89.4 | Confident | 87.5 | Confident | 57 Ų | 57 | 94.9 Ų | 94.9 | 37% | 0.37 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 137.2 | 174.6 | -23.4 | 34.6 | 0 | 0 | 0 | 111.5 | E174 L175 Y188 | P172-E174 PolarHBondContact O-N 3.33Å; P172-L175 HydrophobicContact CB-CB 4.44Å; P172-L175 VanDerWaalsContact O-CB 3.25Å; P172-L175 WeakPolarHBondContact O-CB 3.41Å; P172-L175 PolarHBondContact O-N 2.94Å; P172-Y188 HydrophobicContact CB-CE1 4.25Å; P172-Y188 HydrophobicContact CG-CE1 4.12Å |
| 173 | I | 88.6 | Confident | 87.7 | Confident | 143 Ų | 143 | 98.7 Ų | 98.7 | 73% | 0.733 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.7 | -36.2 | -179.9 | -58.5 | 170.3 | 0 | 0 | 0 | 110.7 | L175 L176 | I173-L175 PolarHBondContact O-N 3.09Å; I173-L176 VanDerWaalsContact O-CB 3.23Å; I173-L176 WeakPolarHBondContact O-CB 3.38Å; I173-L176 PolarHBondContact O-N 3.36Å |
| 174 | E | 87.5 | Confident | 87.9 | Confident | 113 Ų | 113 | 96.5 Ų | 96.5 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.7 | -30.1 | 175.1 | -61.2 | 170.4 | 171.4 | 0 | 0 | 112.5 | P172 L176 E177 Y178 Y188 | P172-E174 PolarHBondContact O-N 3.33Å; E174-L176 VanDerWaalsContact C-N 3.29Å; E174-L176 PolarHBondContact O-N 3.26Å; E174-E177 PolarHBondContact O-N 2.98Å; E174-Y178 VanDerWaalsContact O-CD2 3.3Å; E174-Y178 WeakPolarHBondContact O-CD2 3.17Å; E174-Y188 HydrophobicContact CB-CD2 4.44Å; E174-Y188 HydrophobicContact CB-CE2 3.62Å; E174-Y188 WeakPolarHBondContact OE2-CE2 2.94Å; E174-Y188 PolarHBondContact OE2-OH 3.09Å |
| 175 | L | 91.1 | Very high | 88.2 | Confident | 34 Ų | 34 | 95.4 Ų | 95.4 | 18% | 0.178 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -68.2 | -31.3 | 177.2 | -173.4 | 64.4 | 0 | 0 | 0 | 111.7 | V171 P172 I173 E177 Y178 V179 P185 Y188 | V171-L175 HydrophobicContact CG1-CB 4.49Å; V171-L175 HydrophobicContact CG1-CD2 4.04Å; P172-L175 HydrophobicContact CB-CB 4.44Å; P172-L175 VanDerWaalsContact O-CB 3.25Å; P172-L175 WeakPolarHBondContact O-CB 3.41Å; P172-L175 PolarHBondContact O-N 2.94Å; I173-L175 PolarHBondContact O-N 3.09Å; L175-E177 VanDerWaalsContact C-N 3.25Å; L175-E177 PolarHBondContact O-N 3.47Å; L175-Y178 WeakPolarHBondContact O-CB 3.22Å; L175-Y178 PolarHBondContact O-N 3.28Å; L175-Y178 VanDerWaalsContact O-N 3.09Å; L175-V179 PolarHBondContact O-N 2.87Å; L175-P185 HydrophobicContact CD1-CB 3.95Å; L175-Y188 HydrophobicContact CB-CD1 4.36Å; L175-Y188 VanDerWaalsContact CD1-CB 3.5Å; L175-Y188 HydrophobicContact CD1-CD1 3.69Å; L175-Y188 HydrophobicContact CD1-CG 3.7Å |
| 176 | L | 89.6 | Confident | 88.5 | Confident | 92 Ų | 92 | 95.1 Ų | 95.1 | 48% | 0.482 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -36.4 | -179.8 | -171.6 | 61.8 | 0 | 0 | 0 | 111.1 | I173 E174 Y178 V179 D180 | I173-L176 VanDerWaalsContact O-CB 3.23Å; I173-L176 WeakPolarHBondContact O-CB 3.38Å; I173-L176 PolarHBondContact O-N 3.36Å; E174-L176 VanDerWaalsContact C-N 3.29Å; E174-L176 PolarHBondContact O-N 3.26Å; L176-Y178 VanDerWaalsContact C-N 3.27Å; L176-Y178 PolarHBondContact O-N 3.42Å; L176-V179 PolarHBondContact O-N 2.89Å; L176-V179 VanDerWaalsContact O-N 3.13Å; L176-D180 WeakPolarHBondContact O-CB 3.48Å; L176-D180 PolarHBondContact O-N 3.4Å |
| 177 | E | 89.6 | Confident | 88.8 | Confident | 133 Ų | 133 | 96.6 Ų | 96.6 | 62% | 0.621 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.3 | -34.4 | 175.5 | -62.5 | -177.1 | 177.2 | 0 | 0 | 112.7 | E174 L175 S181 | E174-E177 PolarHBondContact O-N 2.98Å; L175-E177 VanDerWaalsContact C-N 3.25Å; L175-E177 PolarHBondContact O-N 3.47Å; E177-S181 VanDerWaalsContact O-CB 3.24Å; E177-S181 WeakPolarHBondContact O-CB 3.34Å; E177-S181 PolarHBondContact O-N 3.16Å; E177-S181 VanDerWaalsContact O-N 3.12Å; E177-S181 PolarHBondContact O-OG 2.95Å |
| 178 | Y | 90.2 | Very high | 89.4 | Confident | 48 Ų | 48 | 91.1 Ų | 91.1 | 19% | 0.188 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -68.8 | -43.1 | 175.3 | -73.8 | -106.3 | 0 | 0 | 0 | 110.8 | E174 L175 L176 S181 G182 K183 L187 Y188 D191 | E174-Y178 VanDerWaalsContact O-CD2 3.3Å; E174-Y178 WeakPolarHBondContact O-CD2 3.17Å; L175-Y178 WeakPolarHBondContact O-CB 3.22Å; L175-Y178 PolarHBondContact O-N 3.28Å; L175-Y178 VanDerWaalsContact O-N 3.09Å; L176-Y178 VanDerWaalsContact C-N 3.27Å; L176-Y178 PolarHBondContact O-N 3.42Å; Y178-S181 PolarHBondContact O-N 2.9Å; Y178-G182 PolarHBondContact O-N 2.9Å; Y178-K183 HydrophobicContact CD1-CB 4.13Å; Y178-K183 HydrophobicContact CD1-CD 4.16Å; Y178-K183 WeakPolarHBondContact O-CB 3.25Å; Y178-K183 PolarHBondContact O-N 3.27Å; Y178-L187 HydrophobicContact CD1-CB 4.37Å; Y178-L187 HydrophobicContact CE1-CB 4.25Å; Y178-Y188 HydrophobicContact CD2-CD2 4.1Å; Y178-Y188 HydrophobicContact CD2-CG 4.46Å; Y178-Y188 AromaticContact CE2-CD2 3.64Å; Y178-Y188 HydrophobicContact CE2-CD2 3.64Å; Y178-Y188 HydrophobicContact CE2-CG 4.3Å; Y178-D191 PolarHBondContact OH-OD2 3.46Å |
| 179 | V | 90.6 | Very high | 89.7 | Confident | 78 Ų | 78 | 89.5 Ų | 89.5 | 47% | 0.473 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.2 | -47.7 | 179.3 | 177.7 | 0 | 0 | 0 | 0 | 111 | L175 L176 S181 G182 P185 | L175-V179 PolarHBondContact O-N 2.87Å; L176-V179 PolarHBondContact O-N 2.89Å; L176-V179 VanDerWaalsContact O-N 3.13Å; V179-S181 VanDerWaalsContact C-N 3.26Å; V179-S181 PolarHBondContact O-N 3.02Å; V179-G182 PolarHBondContact O-N 2.95Å; V179-P185 HydrophobicContact CG2-CG 4.12Å |
| 180 | D | 91.7 | Very high | 90 | Very high | 125 Ų | 125 | 92.1 Ų | 92.1 | 67% | 0.668 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.3 | -32.7 | 179.9 | -70.4 | -13.6 | 0 | 0 | 0 | 111.9 | L176 G182 | L176-D180 WeakPolarHBondContact O-CB 3.48Å; L176-D180 PolarHBondContact O-N 3.4Å; D180-G182 PolarHBondContact O-N 2.73Å |
| 181 | S | 93 | Very high | 90.3 | Very high | 80 Ų | 80 | 84.9 Ų | 84.9 | 56% | 0.559 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -1.6 | 173.8 | -57.8 | 0 | 0 | 0 | 0 | 113.8 | E177 Y178 V179 K183 | E177-S181 VanDerWaalsContact O-CB 3.24Å; E177-S181 WeakPolarHBondContact O-CB 3.34Å; E177-S181 PolarHBondContact O-N 3.16Å; E177-S181 VanDerWaalsContact O-N 3.12Å; E177-S181 PolarHBondContact O-OG 2.95Å; Y178-S181 PolarHBondContact O-N 2.9Å; V179-S181 VanDerWaalsContact C-N 3.26Å; V179-S181 PolarHBondContact O-N 3.02Å; S181-K183 VanDerWaalsContact C-N 3.26Å; S181-K183 PolarHBondContact O-N 3.13Å |
| 182 | G | 90.9 | Very high | 90.6 | Very high | 71 Ų | 71 | 82.8 Ų | 82.8 | 73% | 0.732 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 19.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y178 V179 D180 | Y178-G182 PolarHBondContact O-N 2.9Å; V179-G182 PolarHBondContact O-N 2.95Å; D180-G182 PolarHBondContact O-N 2.73Å |
| 183 | K | 90.4 | Very high | 90.8 | Very high | 117 Ų | 117 | 84.8 Ų | 84.8 | 51% | 0.509 | 45% | 0.452 | S | S | . | . | trans | -84.5 | 152.2 | 177.1 | -64.1 | 178.7 | -176.8 | 171.4 | 0 | 110.4 | Y178 S181 P185 | Y178-K183 HydrophobicContact CD1-CB 4.13Å; Y178-K183 HydrophobicContact CD1-CD 4.16Å; Y178-K183 WeakPolarHBondContact O-CB 3.25Å; Y178-K183 PolarHBondContact O-N 3.27Å; S181-K183 VanDerWaalsContact C-N 3.26Å; S181-K183 PolarHBondContact O-N 3.13Å; K183-P185 VanDerWaalsContact O-CD 3.29Å; K183-P185 WeakPolarHBondContact O-CD 3.23Å | ||
| 184 | N | 90.6 | Very high | 91.1 | Very high | 94 Ų | 94 | 83.2 Ų | 83.2 | 50% | 0.503 | 44% | 0.442 | S | S | . | . | trans | -64.9 | 121.7 | 174.9 | -175.8 | -17.7 | 0 | 0 | 0 | 110.3 | Q186 L187 | N184-Q186 PolarHBondContact O-N 3.34Å; N184-Q186 VanDerWaalsContact O-N 3.08Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.47Å; N184-Q186 WeakPolarHBondContact OD1-CG 3.25Å; N184-Q186 PolarHBondContact OD1-N 2.97Å; N184-L187 HydrophobicContact CB-CD1 4.41Å; N184-L187 HydrophobicContact CB-CG 4.28Å; N184-L187 VanDerWaalsContact O-CB 3.29Å; N184-L187 WeakPolarHBondContact O-CB 3.45Å; N184-L187 WeakPolarHBondContact O-CG 3.44Å; N184-L187 PolarHBondContact O-N 2.84Å | ||
| 185 | P | 89.8 | Confident | 91.4 | Very high | 50 Ų | 50 | 86.8 Ų | 86.8 | 33% | 0.325 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -52.3 | -28.1 | 175.8 | -31.7 | 39.5 | 0 | 0 | 0 | 114.6 | L175 V179 K183 L187 Y188 T189 | L175-P185 HydrophobicContact CD1-CB 3.95Å; V179-P185 HydrophobicContact CG2-CG 4.12Å; K183-P185 VanDerWaalsContact O-CD 3.29Å; K183-P185 WeakPolarHBondContact O-CD 3.23Å; P185-L187 PolarHBondContact O-N 3.08Å; P185-Y188 WeakPolarHBondContact O-CB 3.44Å; P185-Y188 PolarHBondContact O-N 2.71Å; P185-Y188 VanDerWaalsContact O-N 3.07Å; P185-T189 PolarHBondContact O-N 2.94Å |
| 186 | Q | 89.5 | Confident | 91.5 | Very high | 126 Ų | 126 | 89.3 Ų | 89.3 | 59% | 0.589 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64 | -22.6 | 177.2 | -62.3 | -61 | -22.2 | 0 | 0 | 112.9 | N184 T189 R190 | N184-Q186 PolarHBondContact O-N 3.34Å; N184-Q186 VanDerWaalsContact O-N 3.08Å; N184-Q186 WeakPolarHBondContact OD1-CB 3.47Å; N184-Q186 WeakPolarHBondContact OD1-CG 3.25Å; N184-Q186 PolarHBondContact OD1-N 2.97Å; Q186-T189 PolarHBondContact O-N 3.3Å; Q186-R190 WeakPolarHBondContact O-CB 2.94Å; Q186-R190 PolarHBondContact O-N 3.4Å |
| 187 | L | 91.6 | Very high | 91.7 | Very high | 62 Ų | 62 | 88.1 Ų | 88.1 | 33% | 0.325 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 172.9 | -62.8 | 175.5 | 0 | 0 | 0 | 111.3 | Y178 N184 P185 R190 D191 | Y178-L187 HydrophobicContact CD1-CB 4.37Å; Y178-L187 HydrophobicContact CE1-CB 4.25Å; N184-L187 HydrophobicContact CB-CD1 4.41Å; N184-L187 HydrophobicContact CB-CG 4.28Å; N184-L187 VanDerWaalsContact O-CB 3.29Å; N184-L187 WeakPolarHBondContact O-CB 3.45Å; N184-L187 WeakPolarHBondContact O-CG 3.44Å; N184-L187 PolarHBondContact O-N 2.84Å; P185-L187 PolarHBondContact O-N 3.08Å; L187-R190 PolarHBondContact O-N 2.96Å; L187-D191 WeakPolarHBondContact O-CB 3.19Å; L187-D191 PolarHBondContact O-N 3.49Å |
| 188 | Y | 91.8 | Very high | 91.9 | Very high | 34 Ų | 34 | 84.7 Ų | 84.7 | 13% | 0.133 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 173.5 | 173.7 | -98.5 | 0 | 0 | 0 | 111.1 | P172 E174 L175 Y178 P185 R190 D191 C192 | P172-Y188 HydrophobicContact CB-CE1 4.25Å; P172-Y188 HydrophobicContact CG-CE1 4.12Å; E174-Y188 HydrophobicContact CB-CD2 4.44Å; E174-Y188 HydrophobicContact CB-CE2 3.62Å; E174-Y188 WeakPolarHBondContact OE2-CE2 2.94Å; E174-Y188 PolarHBondContact OE2-OH 3.09Å; L175-Y188 HydrophobicContact CB-CD1 4.36Å; L175-Y188 VanDerWaalsContact CD1-CB 3.5Å; L175-Y188 HydrophobicContact CD1-CD1 3.69Å; L175-Y188 HydrophobicContact CD1-CG 3.7Å; Y178-Y188 HydrophobicContact CD2-CD2 4.1Å; Y178-Y188 HydrophobicContact CD2-CG 4.46Å; Y178-Y188 AromaticContact CE2-CD2 3.64Å; Y178-Y188 HydrophobicContact CE2-CD2 3.64Å; Y178-Y188 HydrophobicContact CE2-CG 4.3Å; P185-Y188 WeakPolarHBondContact O-CB 3.44Å; P185-Y188 PolarHBondContact O-N 2.71Å; P185-Y188 VanDerWaalsContact O-N 3.07Å; Y188-R190 VanDerWaalsContact C-N 3.33Å; Y188-R190 PolarHBondContact O-N 2.91Å; Y188-D191 PolarHBondContact O-N 3.23Å; Y188-C192 VanDerWaalsContact O-CB 3.22Å; Y188-C192 WeakPolarHBondContact O-CB 3.27Å; Y188-C192 PolarHBondContact O-N 2.78Å |
| 189 | T | 91.8 | Very high | 92.1 | Very high | 64 Ų | 64 | 87.2 Ų | 87.2 | 39% | 0.393 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 177.7 | -60.5 | 0 | 0 | 0 | 0 | 111 | P185 Q186 C192 I193 | P185-T189 PolarHBondContact O-N 2.94Å; Q186-T189 PolarHBondContact O-N 3.3Å; T189-C192 PolarHBondContact O-N 2.84Å; T189-I193 HydrophobicContact CG2-CD1 3.97Å; T189-I193 VanDerWaalsContact O-CG1 3.27Å; T189-I193 WeakPolarHBondContact O-CG1 3.46Å; T189-I193 PolarHBondContact O-N 2.83Å |
| 190 | R | 91.7 | Very high | 92.2 | Very high | 118 Ų | 118 | 85 Ų | 85 | 45% | 0.445 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.5 | -53.6 | 173.9 | -178.6 | -158.9 | 65.3 | -171.1 | -0 | 111.3 | Q186 L187 Y188 C192 I193 E194 | Q186-R190 WeakPolarHBondContact O-CB 2.94Å; Q186-R190 PolarHBondContact O-N 3.4Å; L187-R190 PolarHBondContact O-N 2.96Å; Y188-R190 VanDerWaalsContact C-N 3.33Å; Y188-R190 PolarHBondContact O-N 2.91Å; R190-C192 VanDerWaalsContact C-N 3.26Å; R190-C192 PolarHBondContact O-N 3.42Å; R190-I193 PolarHBondContact O-N 3.43Å; R190-I193 VanDerWaalsContact O-N 3.13Å; R190-E194 WeakPolarHBondContact CD-OE1 3.28Å; R190-E194 HydrophobicContact CG-CG 4.26Å; R190-E194 WeakPolarHBondContact CG-OE1 3.48Å; R190-E194 IonicContact NE-OE1 2.91Å; R190-E194 WeakPolarHBondContact O-CB 3.35Å; R190-E194 WeakPolarHBondContact O-CG 3.26Å; R190-E194 PolarHBondContact O-N 3.19Å |
| 191 | D | 91.9 | Very high | 92.3 | Very high | 42 Ų | 42 | 86.9 Ų | 86.9 | 23% | 0.225 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63 | -35.6 | -175.9 | -68 | -2.8 | 0 | 0 | 0 | 111.6 | Y178 L187 Y188 R195 | Y178-D191 PolarHBondContact OH-OD2 3.46Å; L187-D191 WeakPolarHBondContact O-CB 3.19Å; L187-D191 PolarHBondContact O-N 3.49Å; Y188-D191 PolarHBondContact O-N 3.23Å; D191-R195 WeakPolarHBondContact O-CB 3.35Å; D191-R195 PolarHBondContact O-N 3.48Å |
| 192 | C | 92.5 | Very high | 92.2 | Very high | 57 Ų | 57 | 86.1 Ų | 86.1 | 39% | 0.385 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.2 | -50.2 | 173.3 | -174 | 0 | 0 | 0 | 0 | 111.1 | Y188 T189 R190 R195 T196 | Y188-C192 VanDerWaalsContact O-CB 3.22Å; Y188-C192 WeakPolarHBondContact O-CB 3.27Å; Y188-C192 PolarHBondContact O-N 2.78Å; T189-C192 PolarHBondContact O-N 2.84Å; R190-C192 VanDerWaalsContact C-N 3.26Å; R190-C192 PolarHBondContact O-N 3.42Å; C192-R195 PolarHBondContact O-N 3.35Å; C192-T196 PolarHBondContact O-N 3.02Å; C192-T196 PolarHBondContact O-OG1 2.91Å |
| 193 | I | 93.3 | Very high | 92.2 | Very high | 99 Ų | 99 | 85.4 Ų | 85.4 | 51% | 0.508 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 177.4 | -68.8 | 167.1 | 0 | 0 | 0 | 110.9 | T189 R190 R195 T196 V197 | T189-I193 HydrophobicContact CG2-CD1 3.97Å; T189-I193 VanDerWaalsContact O-CG1 3.27Å; T189-I193 WeakPolarHBondContact O-CG1 3.46Å; T189-I193 PolarHBondContact O-N 2.83Å; R190-I193 PolarHBondContact O-N 3.43Å; R190-I193 VanDerWaalsContact O-N 3.13Å; I193-R195 VanDerWaalsContact C-N 3.33Å; I193-R195 PolarHBondContact O-N 2.94Å; I193-T196 WeakPolarHBondContact O-CB 3.19Å; I193-T196 PolarHBondContact O-N 3.36Å; I193-T196 VanDerWaalsContact O-N 3.16Å; I193-V197 HydrophobicContact CG2-CG2 4.4Å; I193-V197 WeakPolarHBondContact O-CG2 3.45Å; I193-V197 PolarHBondContact O-N 3.37Å |
| 194 | E | 93.9 | Very high | 92.3 | Very high | 111 Ų | 111 | 82.6 Ų | 82.6 | 52% | 0.519 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 179.1 | -74.6 | 179 | -179.7 | 0 | 0 | 111.5 | R190 V197 A198 | R190-E194 WeakPolarHBondContact CD-OE1 3.28Å; R190-E194 HydrophobicContact CG-CG 4.26Å; R190-E194 WeakPolarHBondContact CG-OE1 3.48Å; R190-E194 IonicContact NE-OE1 2.91Å; R190-E194 WeakPolarHBondContact O-CB 3.35Å; R190-E194 WeakPolarHBondContact O-CG 3.26Å; R190-E194 PolarHBondContact O-N 3.19Å; E194-V197 PolarHBondContact O-N 3.43Å; E194-A198 WeakPolarHBondContact O-CB 3.39Å; E194-A198 PolarHBondContact O-N 3.46Å |
| 195 | R | 93.2 | Very high | 92.2 | Very high | 188 Ų | 188 | 81.1 Ų | 81.1 | 71% | 0.709 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | 174.8 | -172.3 | -178.1 | -59.4 | -154.5 | 1.1 | 111.7 | D191 C192 I193 A198 K199 | D191-R195 WeakPolarHBondContact O-CB 3.35Å; D191-R195 PolarHBondContact O-N 3.48Å; C192-R195 PolarHBondContact O-N 3.35Å; I193-R195 VanDerWaalsContact C-N 3.33Å; I193-R195 PolarHBondContact O-N 2.94Å; R195-A198 PolarHBondContact O-N 3.08Å; R195-K199 VanDerWaalsContact O-CB 3.32Å; R195-K199 WeakPolarHBondContact O-CB 3.32Å; R195-K199 PolarHBondContact O-N 3.49Å |
| 196 | T | 93.5 | Very high | 92.4 | Very high | 87 Ų | 87 | 81 Ų | 81 | 53% | 0.534 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 175.5 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | C192 I193 K199 N200 | C192-T196 PolarHBondContact O-N 3.02Å; C192-T196 PolarHBondContact O-OG1 2.91Å; I193-T196 WeakPolarHBondContact O-CB 3.19Å; I193-T196 PolarHBondContact O-N 3.36Å; I193-T196 VanDerWaalsContact O-N 3.16Å; T196-K199 PolarHBondContact O-N 2.71Å; T196-N200 VanDerWaalsContact O-CB 3.26Å; T196-N200 WeakPolarHBondContact O-CB 3.33Å; T196-N200 PolarHBondContact O-N 2.82Å |
| 197 | V | 93.9 | Very high | 92.5 | Very high | 66 Ų | 66 | 78.1 Ų | 78.1 | 40% | 0.4 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | I89 I193 E194 K199 N200 K201 | I89-V197 HydrophobicContact CD1-CG1 4.02Å; I89-V197 HydrophobicContact CD1-CG2 4.11Å; I193-V197 HydrophobicContact CG2-CG2 4.4Å; I193-V197 WeakPolarHBondContact O-CG2 3.45Å; I193-V197 PolarHBondContact O-N 3.37Å; E194-V197 PolarHBondContact O-N 3.43Å; V197-K199 VanDerWaalsContact C-N 3.32Å; V197-K199 PolarHBondContact O-N 3.02Å; V197-N200 PolarHBondContact O-N 3.12Å; V197-K201 PolarHBondContact O-N 3.15Å |
| 198 | A | 94.5 | Very high | 92.4 | Very high | 61 Ų | 61 | 80 Ų | 80 | 50% | 0.504 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.4 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E194 R195 K201 E202 | E194-A198 WeakPolarHBondContact O-CB 3.39Å; E194-A198 PolarHBondContact O-N 3.46Å; R195-A198 PolarHBondContact O-N 3.08Å; A198-K201 PolarHBondContact O-N 2.87Å; A198-E202 PolarHBondContact O-N 2.98Å |
| 199 | K | 94.8 | Very high | 92.4 | Very high | 102 Ų | 102 | 84.4 Ų | 84.4 | 44% | 0.443 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67 | -39 | 178.8 | -164.5 | 57.9 | 169.6 | -175.8 | 0 | 112.4 | R195 T196 V197 E202 L203 | R195-K199 VanDerWaalsContact O-CB 3.32Å; R195-K199 WeakPolarHBondContact O-CB 3.32Å; R195-K199 PolarHBondContact O-N 3.49Å; T196-K199 PolarHBondContact O-N 2.71Å; V197-K199 VanDerWaalsContact C-N 3.32Å; V197-K199 PolarHBondContact O-N 3.02Å; K199-E202 VanDerWaalsContact CD-OE2 3.26Å; K199-E202 WeakPolarHBondContact CD-OE2 3.46Å; K199-E202 IonicContact NZ-OE1 3.54Å; K199-E202 IonicContact NZ-OE2 2.67Å; K199-E202 PolarHBondContact NZ-OE2 3.35Å; K199-E202 PolarHBondContact O-N 2.84Å; K199-L203 HydrophobicContact CG-CD1 4.46Å; K199-L203 WeakPolarHBondContact O-CB 3.46Å; K199-L203 VanDerWaalsContact O-CG 3.27Å; K199-L203 WeakPolarHBondContact O-CG 3.26Å; K199-L203 PolarHBondContact O-N 3.27Å |
| 200 | N | 92.2 | Very high | 92.4 | Very high | 31 Ų | 31 | 89.2 Ų | 89.2 | 17% | 0.166 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | 175 | -172.3 | -23.8 | 0 | 0 | 0 | 111.1 | V86 T196 V197 E202 L203 N204 | V86-N200 WeakPolarHBondContact CB-ND2 3.37Å; T196-N200 VanDerWaalsContact O-CB 3.26Å; T196-N200 WeakPolarHBondContact O-CB 3.33Å; T196-N200 PolarHBondContact O-N 2.82Å; V197-N200 PolarHBondContact O-N 3.12Å; N200-E202 PolarHBondContact O-N 3.38Å; N200-L203 PolarHBondContact O-N 3.43Å; N200-N204 WeakPolarHBondContact O-CB 3.15Å; N200-N204 VanDerWaalsContact O-CG 3.31Å; N200-N204 PolarHBondContact O-N 3.46Å; N200-N204 PolarHBondContact O-ND2 3.04Å; N200-N204 PolarHBondContact OD1-ND2 3.26Å |
| 201 | K | 93.2 | Very high | 92.3 | Very high | 165 Ų | 165 | 89.5 Ų | 89.5 | 72% | 0.717 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.2 | -44.5 | 174.3 | -172.9 | 177.8 | -179.9 | 178.6 | 0 | 112.1 | V197 A198 N204 S205 | V197-K201 PolarHBondContact O-N 3.15Å; A198-K201 PolarHBondContact O-N 2.87Å; K201-N204 PolarHBondContact O-N 3.02Å; K201-S205 WeakPolarHBondContact O-CB 3.27Å; K201-S205 PolarHBondContact O-N 3.48Å |
| 202 | E | 92 | Very high | 92.3 | Very high | 64 Ų | 64 | 93.9 Ų | 93.9 | 30% | 0.299 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | 175.6 | -169.1 | -158.2 | 151.2 | 0 | 0 | 111.5 | A198 K199 N200 S205 K206 | A198-E202 PolarHBondContact O-N 2.98Å; K199-E202 VanDerWaalsContact CD-OE2 3.26Å; K199-E202 WeakPolarHBondContact CD-OE2 3.46Å; K199-E202 IonicContact NZ-OE1 3.54Å; K199-E202 IonicContact NZ-OE2 2.67Å; K199-E202 PolarHBondContact NZ-OE2 3.35Å; K199-E202 PolarHBondContact O-N 2.84Å; N200-E202 PolarHBondContact O-N 3.38Å; E202-S205 PolarHBondContact O-N 2.93Å; E202-K206 WeakPolarHBondContact O-CG 3.44Å; E202-K206 PolarHBondContact O-N 3.37Å; E202-K206 WeakPolarHBondContact OE1-CE 3.39Å; E202-K206 IonicContact OE1-NZ 2.71Å; E202-K206 PolarHBondContact OE1-NZ 2.9Å |
| 203 | L | 90.6 | Very high | 92.4 | Very high | 56 Ų | 56 | 97 Ų | 97 | 29% | 0.293 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 178.9 | -71.9 | 178.2 | 0 | 0 | 0 | 112 | L83 K199 N200 S205 K206 I207 | L83-L203 HydrophobicContact CD1-CD1 4.04Å; K199-L203 HydrophobicContact CG-CD1 4.46Å; K199-L203 WeakPolarHBondContact O-CB 3.46Å; K199-L203 VanDerWaalsContact O-CG 3.27Å; K199-L203 WeakPolarHBondContact O-CG 3.26Å; K199-L203 PolarHBondContact O-N 3.27Å; N200-L203 PolarHBondContact O-N 3.43Å; L203-S205 VanDerWaalsContact C-N 3.34Å; L203-S205 PolarHBondContact O-N 3.43Å; L203-K206 PolarHBondContact O-N 3.44Å; L203-I207 WeakPolarHBondContact O-CG1 3.39Å; L203-I207 PolarHBondContact O-N 3.48Å |
| 204 | N | 91.6 | Very high | 92.1 | Very high | 58 Ų | 58 | 97.4 Ų | 97.4 | 31% | 0.31 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 176.5 | -72.9 | -23.7 | 0 | 0 | 0 | 111.8 | N200 K201 K206 I207 D208 | N200-N204 WeakPolarHBondContact O-CB 3.15Å; N200-N204 VanDerWaalsContact O-CG 3.31Å; N200-N204 PolarHBondContact O-N 3.46Å; N200-N204 PolarHBondContact O-ND2 3.04Å; N200-N204 PolarHBondContact OD1-ND2 3.26Å; K201-N204 PolarHBondContact O-N 3.02Å; N204-K206 VanDerWaalsContact C-N 3.35Å; N204-K206 PolarHBondContact O-N 2.88Å; N204-I207 PolarHBondContact O-N 3.34Å; N204-D208 PolarHBondContact O-N 2.67Å |
| 205 | S | 89.4 | Confident | 91.7 | Very high | 62 Ų | 62 | 96.1 Ų | 96.1 | 43% | 0.434 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 173.8 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | K201 E202 L203 D208 Q209 | K201-S205 WeakPolarHBondContact O-CB 3.27Å; K201-S205 PolarHBondContact O-N 3.48Å; E202-S205 PolarHBondContact O-N 2.93Å; L203-S205 VanDerWaalsContact C-N 3.34Å; L203-S205 PolarHBondContact O-N 3.43Å; S205-D208 PolarHBondContact O-N 2.84Å; S205-Q209 WeakPolarHBondContact O-CG 2.99Å; S205-Q209 PolarHBondContact O-N 3.17Å |
| 206 | K | 94.2 | Very high | 91.6 | Very high | 47 Ų | 47 | 92 Ų | 92 | 20% | 0.204 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 174.4 | -72 | 178.5 | -173.9 | 169.5 | 0 | 112.4 | E202 L203 N204 D208 Q209 Y210 | E202-K206 WeakPolarHBondContact O-CG 3.44Å; E202-K206 PolarHBondContact O-N 3.37Å; E202-K206 WeakPolarHBondContact OE1-CE 3.39Å; E202-K206 IonicContact OE1-NZ 2.71Å; E202-K206 PolarHBondContact OE1-NZ 2.9Å; L203-K206 PolarHBondContact O-N 3.44Å; N204-K206 VanDerWaalsContact C-N 3.35Å; N204-K206 PolarHBondContact O-N 2.88Å; K206-D208 VanDerWaalsContact C-N 3.25Å; K206-D208 PolarHBondContact O-N 3.3Å; K206-Q209 PolarHBondContact O-N 2.86Å; K206-Y210 HydrophobicContact CB-CD2 4.43Å; K206-Y210 HydrophobicContact CB-CE2 4.2Å; K206-Y210 WeakPolarHBondContact O-CD2 3.39Å; K206-Y210 PolarHBondContact O-N 3.24Å |
| 207 | I | 90.2 | Very high | 91.4 | Very high | 66 Ų | 66 | 91.7 Ų | 91.7 | 34% | 0.338 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 176.6 | -70.6 | 166.5 | 0 | 0 | 0 | 110.2 | L203 N204 Y210 K211 | L203-I207 WeakPolarHBondContact O-CG1 3.39Å; L203-I207 PolarHBondContact O-N 3.48Å; N204-I207 PolarHBondContact O-N 3.34Å; I207-Y210 PolarHBondContact O-N 2.96Å; I207-K211 HydrophobicContact CG2-CD 4.2Å; I207-K211 VanDerWaalsContact O-CG 3.28Å; I207-K211 WeakPolarHBondContact O-CG 3.48Å; I207-K211 PolarHBondContact O-N 3.36Å |
| 208 | D | 90.5 | Very high | 91 | Very high | 103 Ų | 103 | 89.3 Ų | 89.3 | 55% | 0.551 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.7 | -43.9 | 177.4 | -167.9 | 57.5 | 0 | 0 | 0 | 112.4 | N204 S205 K206 Y210 K211 K212 | N204-D208 PolarHBondContact O-N 2.67Å; S205-D208 PolarHBondContact O-N 2.84Å; K206-D208 VanDerWaalsContact C-N 3.25Å; K206-D208 PolarHBondContact O-N 3.3Å; D208-Y210 PolarHBondContact O-N 3.09Å; D208-K211 WeakPolarHBondContact O-CB 3.44Å; D208-K211 PolarHBondContact O-N 2.92Å; D208-K211 VanDerWaalsContact O-N 3.17Å; D208-K212 PolarHBondContact O-N 3.27Å |
| 209 | Q | 91.9 | Very high | 90.6 | Very high | 126 Ų | 126 | 89.3 Ų | 89.3 | 59% | 0.589 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -58.8 | -44.8 | 173.5 | -72.2 | 177.3 | 1.4 | 0 | 0 | 112.1 | S205 K206 K211 K212 F213 | S205-Q209 WeakPolarHBondContact O-CG 2.99Å; S205-Q209 PolarHBondContact O-N 3.17Å; K206-Q209 PolarHBondContact O-N 2.86Å; Q209-K211 VanDerWaalsContact C-N 3.35Å; Q209-K211 PolarHBondContact O-N 3.25Å; Q209-K212 PolarHBondContact O-N 3.38Å; Q209-F213 WeakPolarHBondContact O-CB 3.33Å; Q209-F213 PolarHBondContact O-N 2.9Å |
| 210 | Y | 91.8 | Very high | 90.4 | Very high | 165 Ų | 165 | 90.2 Ų | 90.2 | 65% | 0.647 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.3 | -36.6 | 176 | -72.3 | -57.4 | 0 | 0 | 0 | 112.5 | K206 I207 D208 R214 | K206-Y210 HydrophobicContact CB-CD2 4.43Å; K206-Y210 HydrophobicContact CB-CE2 4.2Å; K206-Y210 WeakPolarHBondContact O-CD2 3.39Å; K206-Y210 PolarHBondContact O-N 3.24Å; I207-Y210 PolarHBondContact O-N 2.96Å; D208-Y210 PolarHBondContact O-N 3.09Å; Y210-R214 VanDerWaalsContact O-CB 3.29Å; Y210-R214 WeakPolarHBondContact O-CB 3.28Å; Y210-R214 PolarHBondContact O-N 2.92Å |
| 211 | K | 89.4 | Confident | 90.2 | Very high | 123 Ų | 123 | 92 Ų | 92 | 54% | 0.535 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 173.3 | -76 | 172.9 | 179.9 | 178.6 | 0 | 111 | I207 D208 Q209 R214 C215 | I207-K211 HydrophobicContact CG2-CD 4.2Å; I207-K211 VanDerWaalsContact O-CG 3.28Å; I207-K211 WeakPolarHBondContact O-CG 3.48Å; I207-K211 PolarHBondContact O-N 3.36Å; D208-K211 WeakPolarHBondContact O-CB 3.44Å; D208-K211 PolarHBondContact O-N 2.92Å; D208-K211 VanDerWaalsContact O-N 3.17Å; Q209-K211 VanDerWaalsContact C-N 3.35Å; Q209-K211 PolarHBondContact O-N 3.25Å; K211-R214 WeakPolarHBondContact O-CB 3.45Å; K211-R214 PolarHBondContact O-N 3.15Å; K211-C215 PolarHBondContact O-N 2.95Å; K211-C215 PolarHBondContact O-SG 2.99Å |
| 212 | K | 92.6 | Very high | 89.8 | Confident | 134 Ų | 134 | 86.6 Ų | 86.6 | 58% | 0.583 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.6 | -45.3 | 177.5 | -170.9 | 176.8 | 179.9 | 177.9 | 0 | 111.9 | D208 Q209 R214 C215 M216 | D208-K212 PolarHBondContact O-N 3.27Å; Q209-K212 PolarHBondContact O-N 3.38Å; K212-R214 VanDerWaalsContact C-N 3.34Å; K212-R214 PolarHBondContact O-N 2.96Å; K212-C215 PolarHBondContact O-N 3.46Å; K212-C215 VanDerWaalsContact O-N 3.15Å; K212-M216 HydrophobicContact CG-CE 4.17Å; K212-M216 HydrophobicContact CG-SD 4.41Å; K212-M216 WeakPolarHBondContact O-CG 3.31Å; K212-M216 PolarHBondContact O-N 3Å |
| 213 | F | 92.9 | Very high | 89.6 | Confident | 123 Ų | 123 | 90.1 Ų | 90.1 | 54% | 0.539 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.4 | -45.6 | 174.8 | 178.8 | -106.5 | 0 | 0 | 0 | 111.5 | Q209 C215 M216 L217 | Q209-F213 WeakPolarHBondContact O-CB 3.33Å; Q209-F213 PolarHBondContact O-N 2.9Å; F213-C215 VanDerWaalsContact C-N 3.33Å; F213-C215 PolarHBondContact O-N 2.88Å; F213-M216 PolarHBondContact O-N 3.41Å; F213-L217 HydrophobicContact CE1-CD2 4.09Å; F213-L217 HydrophobicContact CZ-CD2 4.31Å; F213-L217 VanDerWaalsContact O-CB 3.27Å; F213-L217 WeakPolarHBondContact O-CB 3.29Å; F213-L217 PolarHBondContact O-N 3.34Å |
| 214 | R | 88.1 | Confident | 89.5 | Confident | 108 Ų | 108 | 94.2 Ų | 94.2 | 41% | 0.408 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 174 | 177 | -173.4 | 169.9 | -136.6 | -1.9 | 111.7 | Y210 K211 K212 L218 | Y210-R214 VanDerWaalsContact O-CB 3.29Å; Y210-R214 WeakPolarHBondContact O-CB 3.28Å; Y210-R214 PolarHBondContact O-N 2.92Å; K211-R214 WeakPolarHBondContact O-CB 3.45Å; K211-R214 PolarHBondContact O-N 3.15Å; K212-R214 VanDerWaalsContact C-N 3.34Å; K212-R214 PolarHBondContact O-N 2.96Å; R214-L218 HydrophobicContact CG-CD1 3.84Å; R214-L218 HydrophobicContact CG-CG 4.4Å; R214-L218 VanDerWaalsContact O-CB 3.29Å; R214-L218 WeakPolarHBondContact O-CB 3.22Å; R214-L218 VanDerWaalsContact O-CG 3.22Å; R214-L218 WeakPolarHBondContact O-CG 3.27Å; R214-L218 PolarHBondContact O-N 2.93Å |
| 215 | C | 86.4 | Confident | 89.3 | Confident | 84 Ų | 84 | 96.8 Ų | 96.8 | 57% | 0.568 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.7 | -44.9 | 179.5 | -68.9 | 0 | 0 | 0 | 0 | 112.3 | K211 K212 F213 L218 S219 | K211-C215 PolarHBondContact O-N 2.95Å; K211-C215 PolarHBondContact O-SG 2.99Å; K212-C215 PolarHBondContact O-N 3.46Å; K212-C215 VanDerWaalsContact O-N 3.15Å; F213-C215 VanDerWaalsContact C-N 3.33Å; F213-C215 PolarHBondContact O-N 2.88Å; C215-L218 PolarHBondContact O-N 3.29Å; C215-S219 PolarHBondContact O-N 3.08Å |
| 216 | M | 89.9 | Confident | 89 | Confident | 100 Ų | 100 | 97.1 Ų | 97.1 | 49% | 0.493 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.1 | -47.8 | 177.6 | -66.4 | -177.6 | -57.6 | 0 | 0 | 111.2 | K212 F213 L218 S219 E220 | K212-M216 HydrophobicContact CG-CE 4.17Å; K212-M216 HydrophobicContact CG-SD 4.41Å; K212-M216 WeakPolarHBondContact O-CG 3.31Å; K212-M216 PolarHBondContact O-N 3Å; F213-M216 PolarHBondContact O-N 3.41Å; M216-L218 VanDerWaalsContact C-N 3.29Å; M216-L218 PolarHBondContact O-N 3.42Å; M216-S219 WeakPolarHBondContact O-CA 3.22Å; M216-S219 VanDerWaalsContact O-CB 3.31Å; M216-S219 WeakPolarHBondContact O-CB 3.3Å; M216-S219 PolarHBondContact O-N 3Å; M216-E220 PolarHBondContact O-N 3.38Å; M216-E220 VanDerWaalsContact O-N 3.08Å |
| 217 | L | 89.6 | Confident | 88.5 | Confident | 81 Ų | 81 | 102.5 Ų | 102.5 | 42% | 0.424 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 177.6 | -175.4 | 65.2 | 0 | 0 | 0 | 111.9 | F213 S219 L221 | F213-L217 HydrophobicContact CE1-CD2 4.09Å; F213-L217 HydrophobicContact CZ-CD2 4.31Å; F213-L217 VanDerWaalsContact O-CB 3.27Å; F213-L217 WeakPolarHBondContact O-CB 3.29Å; F213-L217 PolarHBondContact O-N 3.34Å; L217-S219 VanDerWaalsContact C-N 3.31Å; L217-L221 HydrophobicContact CD1-CD1 4.26Å; L217-L221 HydrophobicContact CD1-CG 4.44Å; L217-L221 HydrophobicContact CG-CD1 3.91Å; L217-L221 HydrophobicContact CG-CG 4.49Å; L217-L221 VanDerWaalsContact O-CB 3.3Å; L217-L221 WeakPolarHBondContact O-CB 3.49Å; L217-L221 VanDerWaalsContact O-CG 3.22Å; L217-L221 WeakPolarHBondContact O-CG 3.29Å; L217-L221 PolarHBondContact O-N 2.94Å |
| 218 | L | 86.2 | Confident | 88.2 | Confident | 17 Ų | 17 | 104.2 Ų | 104.2 | 9% | 0.089 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -69 | -28.7 | 174.8 | -75.3 | 173.5 | 0 | 0 | 0 | 112.9 | R214 C215 M216 T222 T229 Y232 | R214-L218 HydrophobicContact CG-CD1 3.84Å; R214-L218 HydrophobicContact CG-CG 4.4Å; R214-L218 VanDerWaalsContact O-CB 3.29Å; R214-L218 WeakPolarHBondContact O-CB 3.22Å; R214-L218 VanDerWaalsContact O-CG 3.22Å; R214-L218 WeakPolarHBondContact O-CG 3.27Å; R214-L218 PolarHBondContact O-N 2.93Å; C215-L218 PolarHBondContact O-N 3.29Å; M216-L218 VanDerWaalsContact C-N 3.29Å; M216-L218 PolarHBondContact O-N 3.42Å; L218-T222 WeakPolarHBondContact O-CB 3.34Å; L218-T222 PolarHBondContact O-N 3.21Å; L218-T222 VanDerWaalsContact O-N 3.1Å; L218-T222 PolarHBondContact O-OG1 3.17Å; L218-T229 HydrophobicContact CD2-CG2 4.12Å; L218-Y232 HydrophobicContact CD1-CE1 4.38Å; L218-Y232 HydrophobicContact CD2-CD1 3.66Å; L218-Y232 HydrophobicContact CD2-CE1 3.64Å |
| 219 | S | 86.3 | Confident | 87.6 | Confident | 61 Ų | 61 | 99.7 Ų | 99.7 | 43% | 0.427 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.3 | -55 | 174.7 | -161.2 | 0 | 0 | 0 | 0 | 110.3 | C215 M216 L217 L221 T222 E223 | C215-S219 PolarHBondContact O-N 3.08Å; M216-S219 WeakPolarHBondContact O-CA 3.22Å; M216-S219 VanDerWaalsContact O-CB 3.31Å; M216-S219 WeakPolarHBondContact O-CB 3.3Å; M216-S219 PolarHBondContact O-N 3Å; L217-S219 VanDerWaalsContact C-N 3.31Å; S219-L221 PolarHBondContact O-N 3.34Å; S219-T222 WeakPolarHBondContact O-CB 3.38Å; S219-T222 PolarHBondContact O-N 3.36Å; S219-E223 PolarHBondContact O-N 3.21Å |
| 220 | E | 89.6 | Confident | 87 | Confident | 120 Ų | 120 | 99 Ų | 99 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.4 | -43.2 | 178.7 | -60.3 | -62.9 | 139.8 | 0 | 0 | 112.1 | M216 T222 E223 E224 | M216-E220 PolarHBondContact O-N 3.38Å; M216-E220 VanDerWaalsContact O-N 3.08Å; E220-T222 VanDerWaalsContact C-N 3.27Å; E220-T222 PolarHBondContact O-N 2.6Å; E220-E223 PolarHBondContact O-N 3.21Å; E220-E224 PolarHBondContact O-N 3.36Å |
| 221 | L | 87.7 | Confident | 86.6 | Confident | 68 Ų | 68 | 97.3 Ų | 97.3 | 36% | 0.356 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.3 | -28.6 | 176.2 | -74.2 | 171.3 | 0 | 0 | 0 | 112.9 | L217 S219 E223 F225 T229 | L217-L221 HydrophobicContact CD1-CD1 4.26Å; L217-L221 HydrophobicContact CD1-CG 4.44Å; L217-L221 HydrophobicContact CG-CD1 3.91Å; L217-L221 HydrophobicContact CG-CG 4.49Å; L217-L221 VanDerWaalsContact O-CB 3.3Å; L217-L221 WeakPolarHBondContact O-CB 3.49Å; L217-L221 VanDerWaalsContact O-CG 3.22Å; L217-L221 WeakPolarHBondContact O-CG 3.29Å; L217-L221 PolarHBondContact O-N 2.94Å; S219-L221 PolarHBondContact O-N 3.34Å; L221-E223 VanDerWaalsContact C-N 3.34Å; L221-F225 CarbonylContact O-C 3.46Å; L221-F225 VanDerWaalsContact O-C 3.27Å; L221-F225 WeakPolarHBondContact O-CA 3.42Å; L221-F225 PolarHBondContact O-N 3.1Å; L221-F225 VanDerWaalsContact O-O 3.1Å; L221-T229 VanDerWaalsContact C-OG1 3.27Å; L221-T229 PolarHBondContact O-OG1 3.13Å |
| 222 | T | 85.8 | Confident | 86.3 | Confident | 52 Ų | 52 | 95.6 Ų | 95.6 | 32% | 0.319 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -71 | -33.6 | 176 | -56.9 | 0 | 0 | 0 | 0 | 111 | L218 S219 E220 T229 R233 | L218-T222 WeakPolarHBondContact O-CB 3.34Å; L218-T222 PolarHBondContact O-N 3.21Å; L218-T222 VanDerWaalsContact O-N 3.1Å; L218-T222 PolarHBondContact O-OG1 3.17Å; S219-T222 WeakPolarHBondContact O-CB 3.38Å; S219-T222 PolarHBondContact O-N 3.36Å; E220-T222 VanDerWaalsContact C-N 3.27Å; E220-T222 PolarHBondContact O-N 2.6Å; T222-T229 WeakPolarHBondContact OG1-CG2 3.5Å; T222-R233 PolarHBondContact OG1-NH2 3.38Å |
| 223 | E | 87.1 | Confident | 85.6 | Confident | 138 Ų | 138 | 94.5 Ų | 94.5 | 65% | 0.645 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -70.5 | -46 | 177.9 | -67 | -174.4 | -172.1 | 0 | 0 | 112 | S219 E220 L221 | S219-E223 PolarHBondContact O-N 3.21Å; E220-E223 PolarHBondContact O-N 3.21Å; L221-E223 VanDerWaalsContact C-N 3.34Å |
| 224 | E | 87.8 | Confident | 85 | Confident | 143 Ų | 143 | 92.5 Ų | 92.5 | 67% | 0.668 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -81 | -38 | -179.2 | -67.4 | -65.7 | 141.4 | 0 | 0 | 113.3 | E220 | E220-E224 PolarHBondContact O-N 3.36Å |
| 225 | F | 87.5 | Confident | 84.7 | Confident | 112 Ų | 112 | 93.4 Ų | 93.4 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | trans | -136.8 | 76.5 | -171.8 | -61.6 | -73.8 | 0 | 0 | 0 | 112.3 | L221 K227 E228 T229 | L221-F225 CarbonylContact O-C 3.46Å; L221-F225 VanDerWaalsContact O-C 3.27Å; L221-F225 WeakPolarHBondContact O-CA 3.42Å; L221-F225 PolarHBondContact O-N 3.1Å; L221-F225 VanDerWaalsContact O-O 3.1Å; F225-K227 PolarHBondContact O-N 3.02Å; F225-E228 HydrophobicContact CB-CB 4.28Å; F225-T229 WeakPolarHBondContact O-CB 3.36Å; F225-T229 PolarHBondContact O-N 3.39Å; F225-T229 VanDerWaalsContact O-N 3.16Å; F225-T229 PolarHBondContact O-OG1 2.88Å | ||
| 226 | P | 84.5 | Confident | 84.1 | Confident | 69 Ų | 69 | 95.9 Ų | 95.9 | 45% | 0.448 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.3 | -34.7 | -174.6 | 23.8 | -33.3 | 0 | 0 | 0 | 113.3 | I230 | P226-I230 WeakPolarHBondContact O-CD1 3.41Å; P226-I230 VanDerWaalsContact O-CG1 3.24Å; P226-I230 WeakPolarHBondContact O-CG1 2.97Å; P226-I230 PolarHBondContact O-N 2.95Å |
| 227 | K | 83 | Confident | 82.8 | Confident | 159 Ų | 159 | 98.3 Ų | 98.3 | 69% | 0.691 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -73.1 | -44.5 | -175.3 | -68.3 | -179.5 | -179.5 | 176.1 | 0 | 111.7 | F225 Q231 | F225-K227 PolarHBondContact O-N 3.02Å; K227-Q231 PolarHBondContact O-N 3.21Å |
| 228 | E | 83.1 | Confident | 80.8 | Confident | 103 Ų | 103 | 103.7 Ų | 103.7 | 48% | 0.481 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.5 | -39.4 | -179.1 | -64.5 | 71.9 | -162.4 | 0 | 0 | 110.7 | F225 I230 Q231 Y232 | F225-E228 HydrophobicContact CB-CB 4.28Å; E228-I230 VanDerWaalsContact C-N 3.34Å; E228-I230 PolarHBondContact O-N 2.76Å; E228-Q231 WeakPolarHBondContact O-CB 3.22Å; E228-Q231 PolarHBondContact O-N 3.04Å; E228-Y232 PolarHBondContact O-N 3.48Å |
| 229 | T | 78.9 | Confident | 79 | Confident | 8 Ų | 8 | 107.7 Ų | 107.7 | 5% | 0.049 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -66.3 | -35.8 | 179.1 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | L218 L221 T222 F225 Y232 R233 | L218-T229 HydrophobicContact CD2-CG2 4.12Å; L221-T229 VanDerWaalsContact C-OG1 3.27Å; L221-T229 PolarHBondContact O-OG1 3.13Å; T222-T229 WeakPolarHBondContact OG1-CG2 3.5Å; F225-T229 WeakPolarHBondContact O-CB 3.36Å; F225-T229 PolarHBondContact O-N 3.39Å; F225-T229 VanDerWaalsContact O-N 3.16Å; F225-T229 PolarHBondContact O-OG1 2.88Å; T229-Y232 PolarHBondContact O-N 2.96Å; T229-R233 WeakPolarHBondContact O-CG 3.48Å; T229-R233 PolarHBondContact O-N 3.1Å |
| 230 | I | 79.3 | Confident | 76.6 | Confident | 110 Ų | 110 | 110.3 Ų | 110.3 | 56% | 0.564 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.4 | -44.7 | 173.4 | -68.1 | 165.4 | 0 | 0 | 0 | 110.5 | P226 E228 Y232 R233 T234 | P226-I230 WeakPolarHBondContact O-CD1 3.41Å; P226-I230 VanDerWaalsContact O-CG1 3.24Å; P226-I230 WeakPolarHBondContact O-CG1 2.97Å; P226-I230 PolarHBondContact O-N 2.95Å; E228-I230 VanDerWaalsContact C-N 3.34Å; E228-I230 PolarHBondContact O-N 2.76Å; I230-Y232 VanDerWaalsContact C-N 3.31Å; I230-Y232 PolarHBondContact O-N 3.04Å; I230-R233 PolarHBondContact O-N 3.4Å; I230-T234 PolarHBondContact O-N 3.34Å; I230-T234 VanDerWaalsContact O-N 3.11Å; I230-T234 PolarHBondContact O-OG1 3.44Å; I230-T234 VanDerWaalsContact O-OG1 3.1Å |
| 231 | Q | 82.9 | Confident | 74.1 | Confident | 131 Ų | 131 | 114.8 Ų | 114.8 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.5 | -42.3 | 175.8 | -67.9 | 178.6 | 5.3 | 0 | 0 | 111.8 | K227 E228 R233 T234 I235 | K227-Q231 PolarHBondContact O-N 3.21Å; E228-Q231 WeakPolarHBondContact O-CB 3.22Å; E228-Q231 PolarHBondContact O-N 3.04Å; Q231-R233 PolarHBondContact O-N 3.11Å; Q231-T234 PolarHBondContact O-N 3.22Å; Q231-I235 WeakPolarHBondContact O-CG1 3.24Å; Q231-I235 PolarHBondContact O-N 3.06Å; Q231-I235 VanDerWaalsContact O-N 3.16Å |
| 232 | Y | 82.6 | Confident | 71.5 | Confident | 87 Ų | 87 | 120.6 Ų | 120.6 | 34% | 0.341 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.7 | -43.2 | 175.8 | 174 | -92.1 | 0 | 0 | 0 | 112.8 | L218 E228 T229 I230 I235 R236 | L218-Y232 HydrophobicContact CD1-CE1 4.38Å; L218-Y232 HydrophobicContact CD2-CD1 3.66Å; L218-Y232 HydrophobicContact CD2-CE1 3.64Å; E228-Y232 PolarHBondContact O-N 3.48Å; T229-Y232 PolarHBondContact O-N 2.96Å; I230-Y232 VanDerWaalsContact C-N 3.31Å; I230-Y232 PolarHBondContact O-N 3.04Å; Y232-I235 PolarHBondContact O-N 3.35Å; Y232-R236 HydrophobicContact CE1-CG 4.16Å; Y232-R236 HydrophobicContact CE2-CG 4.17Å; Y232-R236 PolarHBondContact O-N 3.16Å; Y232-R236 WeakPolarHBondContact OH-CD 3.43Å; Y232-R236 VanDerWaalsContact OH-CZ 3.23Å; Y232-R236 PolarHBondContact OH-NE 3.16Å; Y232-R236 VanDerWaalsContact OH-NE 3.13Å; Y232-R236 PolarHBondContact OH-NH1 3.42Å |
| 233 | R | 79.5 | Confident | 70.8 | Confident | 111 Ų | 111 | 124 Ų | 124 | 42% | 0.419 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.4 | -44.4 | 178 | -72.1 | -177.9 | -168.8 | -142.5 | 7.7 | 111.2 | T222 T229 I230 Q231 I235 R236 E237 | T222-R233 PolarHBondContact OG1-NH2 3.38Å; T229-R233 WeakPolarHBondContact O-CG 3.48Å; T229-R233 PolarHBondContact O-N 3.1Å; I230-R233 PolarHBondContact O-N 3.4Å; Q231-R233 PolarHBondContact O-N 3.11Å; R233-I235 VanDerWaalsContact C-N 3.31Å; R233-I235 PolarHBondContact O-N 3.31Å; R233-R236 PolarHBondContact O-N 3.36Å; R233-E237 WeakPolarHBondContact O-CG 3.33Å; R233-E237 PolarHBondContact O-N 2.96Å |
| 234 | T | 79.8 | Confident | 69.9 | Low | 81 Ų | 81 | 123.3 Ų | 123.3 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -59.4 | -40 | 177.3 | -51.3 | 0 | 0 | 0 | 0 | 112.4 | I230 Q231 | I230-T234 PolarHBondContact O-N 3.34Å; I230-T234 VanDerWaalsContact O-N 3.11Å; I230-T234 PolarHBondContact O-OG1 3.44Å; I230-T234 VanDerWaalsContact O-OG1 3.1Å; Q231-T234 PolarHBondContact O-N 3.22Å |
| 235 | I | 80.8 | Confident | 68.9 | Low | 127 Ų | 127 | 122.2 Ų | 122.2 | 65% | 0.651 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.4 | -39.9 | 179 | -64.7 | 166.3 | 0 | 0 | 0 | 111.3 | Q231 Y232 R233 | Q231-I235 WeakPolarHBondContact O-CG1 3.24Å; Q231-I235 PolarHBondContact O-N 3.06Å; Q231-I235 VanDerWaalsContact O-N 3.16Å; Y232-I235 PolarHBondContact O-N 3.35Å; R233-I235 VanDerWaalsContact C-N 3.31Å; R233-I235 PolarHBondContact O-N 3.31Å |
| 236 | R | 73.6 | Confident | 67.9 | Low | 135 Ų | 135 | 122.8 Ų | 122.8 | 51% | 0.509 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -80.4 | -25 | -176.8 | -90.7 | -141.5 | 163.6 | 178.6 | -7.8 | 115.3 | Y232 R233 Y238 P239 | Y232-R236 HydrophobicContact CE1-CG 4.16Å; Y232-R236 HydrophobicContact CE2-CG 4.17Å; Y232-R236 PolarHBondContact O-N 3.16Å; Y232-R236 WeakPolarHBondContact OH-CD 3.43Å; Y232-R236 VanDerWaalsContact OH-CZ 3.23Å; Y232-R236 PolarHBondContact OH-NE 3.16Å; Y232-R236 VanDerWaalsContact OH-NE 3.13Å; Y232-R236 PolarHBondContact OH-NH1 3.42Å; R233-R236 PolarHBondContact O-N 3.36Å; R236-Y238 PolarHBondContact O-N 2.83Å; R236-P239 WeakPolarHBondContact O-CD 3.33Å |
| 237 | E | 63.4 | Low | 66.8 | Low | 151 Ų | 151 | 126.1 Ų | 126.1 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -11.1 | 173 | -76.9 | 177 | -176.6 | 0 | 0 | 112.9 | R233 P239 | R233-E237 WeakPolarHBondContact O-CG 3.33Å; R233-E237 PolarHBondContact O-N 2.96Å; E237-P239 WeakPolarHBondContact O-CD 3.5Å |
| 238 | Y | 47.7 | Very low | 65.7 | Low | 195 Ų | 195 | 123.9 Ų | 123.9 | 77% | 0.765 | 61% | 0.606 | S | S | * | * | trans | -99.2 | 72.7 | 161 | -76.7 | -90.7 | 0 | 0 | 0 | 111.4 | R236 S240 | R236-Y238 PolarHBondContact O-N 2.83Å; Y238-S240 VanDerWaalsContact C-N 3.3Å; Y238-S240 PolarHBondContact O-N 3.23Å | ||
| 239 | P | 49.2 | Very low | 64.5 | Low | 101 Ų | 101 | 125.4 Ų | 125.4 | 66% | 0.656 | 62% | 0.615 | S | S | * | * | trans | -72.2 | 99 | 155 | 31.3 | -24.3 | 0 | 0 | 0 | 105.9 | R236 E237 R241 | R236-P239 WeakPolarHBondContact O-CD 3.33Å; E237-P239 WeakPolarHBondContact O-CD 3.5Å; P239-R241 PolarHBondContact O-N 3.32Å | ||
| 240 | S | 34.7 | Very low | 63.4 | Low | 116 Ų | 116 | 134.5 Ų | 134.5 | 81% | 0.811 | 66% | 0.659 | S | S | * | * | trans | -56.2 | 90.6 | 162 | 52.8 | 0 | 0 | 0 | 0 | 108.2 | Y238 P242 | Y238-S240 VanDerWaalsContact C-N 3.3Å; Y238-S240 PolarHBondContact O-N 3.23Å; S240-P242 WeakPolarHBondContact O-CD 3.4Å | ||
| 241 | R | 38.5 | Very low | 62.1 | Low | 214 Ų | 214 | 136.5 Ų | 136.5 | 81% | 0.808 | 67% | 0.667 | S | S | * | * | trans | -91.4 | 112.6 | 164.9 | -179.9 | -178.8 | -76.8 | -150.1 | 1.1 | 105.8 | P239 | P239-R241 PolarHBondContact O-N 3.32Š| ||
| 242 | P | 32.2 | Very low | 60.2 | Low | 189 Ų | 189 | 137 Ų | 137 | 100% | 1.227 | 67% | 0.672 | S | S | * | * | trans | -63.4 | 0 | 160.4 | 27.9 | -31.7 | 0 | 0 | 0 | 110.7 | S240 | S240-P242 WeakPolarHBondContact O-CD 3.4Š|
Retrieved 242 of 242 residues in 491.6 ms
(Link to these results)