| 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 | 86.9 | Confident | 94.9 | Very high | 189 Ų | 189 | 64.6 Ų | 64.6 | 93% | 0.931 | 32% | 0.324 | S | S | * | . | 0 | -63.6 | 0 | -164.5 | 179.5 | -78.9 | 0 | 0 | 111 | E3 N4 I5 | M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 2.99Å; M1-N4 PolarHBondContact O-N 3.06Å; M1-N4 VanDerWaalsContact O-N 3.16Å; M1-I5 HydrophobicContact CG-CD1 4.15Å; M1-I5 PolarHBondContact O-N 3.42Å | |||
| 2 | M | 93.7 | Very high | 95 | Very high | 44 Ų | 44 | 69.2 Ų | 69.2 | 22% | 0.217 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.3 | -41.8 | -179.9 | -173.5 | 56.1 | 61 | 0 | 0 | 114.2 | N4 I5 V6 Y58 G124 | M2-N4 VanDerWaalsContact C-N 3.35Å; M2-N4 PolarHBondContact O-N 3.26Å; M2-I5 PolarHBondContact O-N 2.7Å; M2-I5 VanDerWaalsContact O-N 3.13Å; M2-V6 HydrophobicContact CG-CG2 4.41Å; M2-V6 WeakPolarHBondContact O-CG2 3.24Å; M2-V6 PolarHBondContact O-N 3.27Å; M2-V6 HydrophobicContact SD-CG2 4.2Å; M2-Y58 HydrophobicContact CB-CD2 4.07Å; M2-Y58 HydrophobicContact CB-CE2 3.99Å; M2-Y58 HydrophobicContact CG-CD2 3.64Å; M2-Y58 HydrophobicContact CG-CE2 4.04Å; M2-Y58 HydrophobicContact CG-CG 4.45Å; M2-G124 VanDerWaalsContact CE-O 3.32Å; M2-G124 WeakPolarHBondContact CE-O 3.1Å |
| 3 | E | 93.5 | Very high | 95 | Very high | 52 Ų | 52 | 67.8 Ų | 67.8 | 24% | 0.243 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -50.1 | -51 | 174 | 179.1 | 166.4 | 163.6 | 0 | 0 | 112.6 | M1 I5 V6 V7 L21 Y58 R455 | M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 2.99Å; E3-I5 VanDerWaalsContact C-N 3.35Å; E3-I5 PolarHBondContact O-N 3.27Å; E3-V6 PolarHBondContact O-N 3.39Å; E3-V7 WeakPolarHBondContact O-CG2 3.23Å; E3-V7 PolarHBondContact O-N 2.84Å; E3-V7 VanDerWaalsContact O-N 3.1Å; E3-L21 HydrophobicContact CG-CD1 4.4Å; E3-L21 HydrophobicContact CG-CD2 3.47Å; E3-L21 VanDerWaalsContact CG-CD2 3.47Å; E3-L21 WeakPolarHBondContact OE1-CD2 3.28Å; E3-Y58 HydrophobicContact CB-CD1 4.04Å; E3-Y58 HydrophobicContact CB-CE1 3.85Å; E3-Y58 HydrophobicContact CG-CD1 4.49Å; E3-Y58 HydrophobicContact CG-CE1 4.45Å; E3-R455 IonicContact OE1-NH1 2.99Å; E3-R455 PolarHBondContact OE1-NH1 3.25Å; E3-R455 IonicContact OE2-NH1 3.56Å |
| 4 | N | 94.8 | Very high | 95 | Very high | 112 Ų | 112 | 64.9 Ų | 64.9 | 60% | 0.599 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.4 | -36.6 | 179.8 | -61.5 | -0.1 | 0 | 0 | 0 | 112.2 | M1 M2 V6 V7 Q8 | M1-N4 PolarHBondContact O-N 3.06Å; M1-N4 VanDerWaalsContact O-N 3.16Å; M2-N4 VanDerWaalsContact C-N 3.35Å; M2-N4 PolarHBondContact O-N 3.26Å; N4-V6 VanDerWaalsContact C-N 3.35Å; N4-V7 PolarHBondContact O-N 3.41Å; N4-Q8 VanDerWaalsContact O-CB 3.27Å; N4-Q8 WeakPolarHBondContact O-CB 3.33Å; N4-Q8 PolarHBondContact O-N 2.77Å |
| 5 | I | 96.7 | Very high | 95 | Very high | 65 Ų | 65 | 65.3 Ų | 65.3 | 33% | 0.333 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 177.9 | -64.8 | 169.8 | 0 | 0 | 0 | 110.1 | M1 M2 E3 K9 V75 | M1-I5 HydrophobicContact CG-CD1 4.15Å; M1-I5 PolarHBondContact O-N 3.42Å; M2-I5 PolarHBondContact O-N 2.7Å; M2-I5 VanDerWaalsContact O-N 3.13Å; E3-I5 VanDerWaalsContact C-N 3.35Å; E3-I5 PolarHBondContact O-N 3.27Å; I5-K9 VanDerWaalsContact O-CB 3.22Å; I5-K9 WeakPolarHBondContact O-CB 3.46Å; I5-K9 PolarHBondContact O-N 3.29Å; I5-V75 HydrophobicContact CG2-CG1 3.53Å; I5-V75 HydrophobicContact CG2-CG2 4.29Å |
| 6 | V | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 179.1 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | M2 E3 N4 F10 A60 V75 I121 | M2-V6 HydrophobicContact CG-CG2 4.41Å; M2-V6 WeakPolarHBondContact O-CG2 3.24Å; M2-V6 PolarHBondContact O-N 3.27Å; M2-V6 HydrophobicContact SD-CG2 4.2Å; E3-V6 PolarHBondContact O-N 3.39Å; N4-V6 VanDerWaalsContact C-N 3.35Å; V6-F10 WeakPolarHBondContact O-CB 3.19Å; V6-F10 PolarHBondContact O-N 3.04Å; V6-A60 HydrophobicContact CG1-CB 3.62Å; V6-V75 HydrophobicContact CB-CG2 4.43Å; V6-V75 HydrophobicContact CG2-CG2 3.65Å; V6-I121 HydrophobicContact CG1-CB 4.31Å; V6-I121 HydrophobicContact CG1-CG2 4.14Å; V6-I121 VanDerWaalsContact CG1-O 3.31Å; V6-I121 WeakPolarHBondContact CG1-O 3.38Å |
| 7 | V | 96.2 | Very high | 94.9 | Very high | 28 Ų | 28 | 70.8 Ų | 70.8 | 17% | 0.17 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.4 | -47 | 177 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | E3 N4 K9 F10 S11 P18 L21 I457 | E3-V7 WeakPolarHBondContact O-CG2 3.23Å; E3-V7 PolarHBondContact O-N 2.84Å; E3-V7 VanDerWaalsContact O-N 3.1Å; N4-V7 PolarHBondContact O-N 3.41Å; V7-K9 PolarHBondContact O-N 3.3Å; V7-F10 VanDerWaalsContact O-CB 3.27Å; V7-F10 WeakPolarHBondContact O-CB 3.24Å; V7-F10 PolarHBondContact O-N 3.47Å; V7-F10 VanDerWaalsContact O-N 3.13Å; V7-S11 PolarHBondContact O-N 2.99Å; V7-S11 VanDerWaalsContact O-N 3.12Å; V7-S11 PolarHBondContact O-OG 3.36Å; V7-P18 HydrophobicContact CG1-CG 4.08Å; V7-P18 HydrophobicContact CG2-CG 4.35Å; V7-L21 HydrophobicContact CG2-CD1 4.3Å; V7-I457 HydrophobicContact CG2-CD1 4.17Å |
| 8 | Q | 96 | Very high | 94.9 | Very high | 118 Ų | 118 | 67.1 Ų | 67.1 | 55% | 0.551 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.7 | -45.9 | 178.6 | -177.5 | -176.3 | -17.7 | 0 | 0 | 111.5 | N4 F10 S11 E12 | N4-Q8 VanDerWaalsContact O-CB 3.27Å; N4-Q8 WeakPolarHBondContact O-CB 3.33Å; N4-Q8 PolarHBondContact O-N 2.77Å; Q8-F10 PolarHBondContact O-N 2.92Å; Q8-S11 PolarHBondContact O-N 3.16Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.38Å; Q8-E12 PolarHBondContact NE2-OE1 2.9Å; Q8-E12 WeakPolarHBondContact O-CG 3.32Å; Q8-E12 PolarHBondContact O-N 3.15Å |
| 9 | K | 96.4 | Very high | 94.9 | Very high | 77 Ų | 77 | 65.3 Ų | 65.3 | 34% | 0.335 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.1 | -31.2 | 178.2 | -174.4 | 62.3 | 178.1 | 178 | 0 | 111.9 | I5 V7 T13 V75 I121 | I5-K9 VanDerWaalsContact O-CB 3.22Å; I5-K9 WeakPolarHBondContact O-CB 3.46Å; I5-K9 PolarHBondContact O-N 3.29Å; V7-K9 PolarHBondContact O-N 3.3Å; K9-T13 VanDerWaalsContact O-CB 3.3Å; K9-T13 WeakPolarHBondContact O-CB 3.25Å; K9-T13 PolarHBondContact O-N 2.92Å; K9-T13 PolarHBondContact O-OG1 2.79Å; K9-V75 HydrophobicContact CB-CG2 4.39Å; K9-V75 HydrophobicContact CG-CG2 4.47Å; K9-I121 HydrophobicContact CB-CG2 4.14Å; K9-I121 HydrophobicContact CG-CD1 4.28Å; K9-I121 HydrophobicContact CG-CG1 4.37Å; K9-I121 HydrophobicContact CG-CG2 4.04Å |
| 10 | F | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.9 | -53.2 | 174.6 | -173.4 | -78.1 | 0 | 0 | 0 | 110.7 | V6 V7 Q8 E12 T13 F14 R16 P18 A60 F62 Q119 I121 | V6-F10 WeakPolarHBondContact O-CB 3.19Å; V6-F10 PolarHBondContact O-N 3.04Å; V7-F10 VanDerWaalsContact O-CB 3.27Å; V7-F10 WeakPolarHBondContact O-CB 3.24Å; V7-F10 PolarHBondContact O-N 3.47Å; V7-F10 VanDerWaalsContact O-N 3.13Å; Q8-F10 PolarHBondContact O-N 2.92Å; F10-E12 VanDerWaalsContact C-N 3.29Å; F10-E12 PolarHBondContact O-N 3.33Å; F10-T13 PolarHBondContact O-N 2.85Å; F10-T13 VanDerWaalsContact O-N 3.13Å; F10-F14 HydrophobicContact CD1-CD2 4.22Å; F10-F14 AromaticContact CD2-CD2 3.71Å; F10-F14 HydrophobicContact CD2-CD2 3.71Å; F10-F14 AromaticContact CD2-CE2 3.94Å; F10-F14 HydrophobicContact CD2-CE2 3.94Å; F10-F14 HydrophobicContact CE1-CB 4.16Å; F10-F14 AromaticContact CE1-CD2 3.97Å; F10-F14 HydrophobicContact CE1-CD2 3.97Å; F10-F14 HydrophobicContact CE1-CG 4.48Å; F10-F14 AromaticContact CE2-CD2 3.42Å; F10-F14 HydrophobicContact CE2-CD2 3.42Å; F10-F14 VanDerWaalsContact CE2-CD2 3.42Å; F10-F14 AromaticContact CE2-CE2 3.68Å; F10-F14 HydrophobicContact CE2-CE2 3.68Å; F10-F14 HydrophobicContact CE2-CG 4.45Å; F10-F14 HydrophobicContact CG-CD2 4.04Å; F10-F14 HydrophobicContact CZ-CB 4.26Å; F10-F14 AromaticContact CZ-CD2 3.51Å; F10-F14 HydrophobicContact CZ-CD2 3.51Å; F10-F14 HydrophobicContact CZ-CE2 4.19Å; F10-F14 HydrophobicContact CZ-CG 4.15Å; F10-F14 PolarHBondContact O-N 2.59Å; F10-R16 VanDerWaalsContact CD1-O 3.22Å; F10-R16 WeakPolarHBondContact CD1-O 3.4Å; F10-R16 HydrophobicContact CE1-CG 4.01Å; F10-R16 VanDerWaalsContact CE1-O 3.29Å; F10-R16 WeakPolarHBondContact CE1-O 3.45Å; F10-P18 HydrophobicContact CD1-CB 3.82Å; F10-P18 HydrophobicContact CD1-CG 4.12Å; F10-P18 HydrophobicContact CD2-CB 4.27Å; F10-P18 HydrophobicContact CE1-CB 4.04Å; F10-P18 HydrophobicContact CE2-CB 4.47Å; F10-P18 HydrophobicContact CG-CB 4Å; F10-P18 HydrophobicContact CG-CG 4.3Å; F10-P18 HydrophobicContact CZ-CB 4.4Å; F10-A60 HydrophobicContact CB-CB 3.92Å; F10-A60 HydrophobicContact CD2-CB 3.8Å; F10-A60 HydrophobicContact CG-CB 4.01Å; F10-F62 HydrophobicContact CE1-CB 4.02Å; F10-F62 HydrophobicContact CE2-CB 4.17Å; F10-F62 HydrophobicContact CZ-CB 3.33Å; F10-F62 HydrophobicContact CZ-CG 4.39Å; F10-Q119 HydrophobicContact CE2-CB 4.31Å; F10-Q119 WeakPolarHBondContact CE2-O 3.43Å; F10-Q119 HydrophobicContact CZ-CB 4.27Å; F10-I121 HydrophobicContact CB-CB 4.27Å; F10-I121 HydrophobicContact CB-CG1 3.74Å; F10-I121 HydrophobicContact CD2-CB 4.3Å; F10-I121 HydrophobicContact CD2-CG1 3.88Å; F10-I121 HydrophobicContact CG-CG1 4.23Å |
| 11 | S | 96.5 | Very high | 95 | Very high | 26 Ų | 26 | 60.2 Ų | 60.2 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.9 | -36.9 | 179.2 | -52.6 | 0 | 0 | 0 | 0 | 112.6 | V7 Q8 G15 R16 E17 | V7-S11 PolarHBondContact O-N 2.99Å; V7-S11 VanDerWaalsContact O-N 3.12Å; V7-S11 PolarHBondContact O-OG 3.36Å; Q8-S11 PolarHBondContact O-N 3.16Å; S11-G15 VanDerWaalsContact O-CA 3.23Å; S11-G15 WeakPolarHBondContact O-CA 3.48Å; S11-G15 PolarHBondContact O-N 2.98Å; S11-R16 WeakPolarHBondContact CA-O 3.44Å; S11-E17 WeakPolarHBondContact CB-OE1 3.37Å; S11-E17 PolarHBondContact OG-OE1 3.23Å; S11-E17 PolarHBondContact OG-OE2 3.04Å |
| 12 | E | 96.3 | Very high | 95.4 | Very high | 119 Ų | 119 | 51.2 Ų | 51.2 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -66.1 | -37.8 | 174.5 | -72.3 | 171.4 | -173.1 | 0 | 0 | 113.2 | Q8 F10 | Q8-E12 WeakPolarHBondContact CG-OE1 3.38Å; Q8-E12 PolarHBondContact NE2-OE1 2.9Å; Q8-E12 WeakPolarHBondContact O-CG 3.32Å; Q8-E12 PolarHBondContact O-N 3.15Å; F10-E12 VanDerWaalsContact C-N 3.29Å; F10-E12 PolarHBondContact O-N 3.33Å |
| 13 | T | 95.2 | Very high | 95.5 | Very high | 51 Ų | 51 | 50.4 Ų | 50.4 | 31% | 0.313 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -83.4 | -40.6 | -173.9 | -54.1 | 0 | 0 | 0 | 0 | 111.8 | K9 F10 I121 | K9-T13 VanDerWaalsContact O-CB 3.3Å; K9-T13 WeakPolarHBondContact O-CB 3.25Å; K9-T13 PolarHBondContact O-N 2.92Å; K9-T13 PolarHBondContact O-OG1 2.79Å; F10-T13 PolarHBondContact O-N 2.85Å; F10-T13 VanDerWaalsContact O-N 3.13Å; T13-I121 HydrophobicContact CG2-CD1 4.25Å |
| 14 | F | 94.9 | Very high | 95.6 | Very high | 27 Ų | 27 | 48 Ų | 48 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -108.4 | -3.3 | -173.3 | -60.8 | -63.3 | 0 | 0 | 0 | 114.5 | F10 R16 D71 H73 Q119 I121 | F10-F14 HydrophobicContact CD1-CD2 4.22Å; F10-F14 AromaticContact CD2-CD2 3.71Å; F10-F14 HydrophobicContact CD2-CD2 3.71Å; F10-F14 AromaticContact CD2-CE2 3.94Å; F10-F14 HydrophobicContact CD2-CE2 3.94Å; F10-F14 HydrophobicContact CE1-CB 4.16Å; F10-F14 AromaticContact CE1-CD2 3.97Å; F10-F14 HydrophobicContact CE1-CD2 3.97Å; F10-F14 HydrophobicContact CE1-CG 4.48Å; F10-F14 AromaticContact CE2-CD2 3.42Å; F10-F14 HydrophobicContact CE2-CD2 3.42Å; F10-F14 VanDerWaalsContact CE2-CD2 3.42Å; F10-F14 AromaticContact CE2-CE2 3.68Å; F10-F14 HydrophobicContact CE2-CE2 3.68Å; F10-F14 HydrophobicContact CE2-CG 4.45Å; F10-F14 HydrophobicContact CG-CD2 4.04Å; F10-F14 HydrophobicContact CZ-CB 4.26Å; F10-F14 AromaticContact CZ-CD2 3.51Å; F10-F14 HydrophobicContact CZ-CD2 3.51Å; F10-F14 HydrophobicContact CZ-CE2 4.19Å; F10-F14 HydrophobicContact CZ-CG 4.15Å; F10-F14 PolarHBondContact O-N 2.59Å; F14-R16 HydrophobicContact CB-CG 4.29Å; F14-R16 PolarHBondContact O-N 2.99Å; F14-D71 HydrophobicContact CE1-CB 4.45Å; F14-D71 WeakPolarHBondContact CE1-OD2 3.1Å; F14-H73 AromaticContact CZ-CD2 3.81Å; F14-Q119 HydrophobicContact CD1-CB 4.12Å; F14-Q119 VanDerWaalsContact CD1-CD 3.48Å; F14-Q119 HydrophobicContact CD1-CG 4.23Å; F14-Q119 HydrophobicContact CD2-CB 4.18Å; F14-Q119 HydrophobicContact CE1-CB 3.9Å; F14-Q119 HydrophobicContact CE1-CG 4.11Å; F14-Q119 HydrophobicContact CE2-CB 3.94Å; F14-Q119 HydrophobicContact CG-CB 4.26Å; F14-Q119 HydrophobicContact CZ-CB 3.8Å; F14-Q119 HydrophobicContact CZ-CG 4.47Å; F14-I121 HydrophobicContact CE2-CD1 3.88Å; F14-I121 HydrophobicContact CE2-CG1 4.12Å |
| 15 | G | 94.9 | Very high | 95.7 | Very high | 71 Ų | 71 | 42.6 Ų | 42.6 | 73% | 0.732 | 22% | 0.22 | S | C | * | . | S | Bend | trans | 66.9 | 18.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | S11 | S11-G15 VanDerWaalsContact O-CA 3.23Å; S11-G15 WeakPolarHBondContact O-CA 3.48Å; S11-G15 PolarHBondContact O-N 2.98Å |
| 16 | R | 94.4 | Very high | 95.6 | Very high | 111 Ų | 111 | 39.6 Ų | 39.6 | 42% | 0.419 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -150.8 | 158.9 | -177.4 | 73.9 | -172.7 | 95.9 | -170.5 | 12.9 | 110.9 | F10 S11 F14 F62 | F10-R16 VanDerWaalsContact CD1-O 3.22Å; F10-R16 WeakPolarHBondContact CD1-O 3.4Å; F10-R16 HydrophobicContact CE1-CG 4.01Å; F10-R16 VanDerWaalsContact CE1-O 3.29Å; F10-R16 WeakPolarHBondContact CE1-O 3.45Å; S11-R16 WeakPolarHBondContact CA-O 3.44Å; F14-R16 HydrophobicContact CB-CG 4.29Å; F14-R16 PolarHBondContact O-N 2.99Å; R16-F62 HydrophobicContact CG-CD2 4.15Å; R16-F62 HydrophobicContact CG-CE2 4.37Å |
| 17 | E | 94.7 | Very high | 95.5 | Very high | 114 Ų | 114 | 39.6 Ų | 39.6 | 53% | 0.533 | 21% | 0.205 | S | C | . | . | trans | -77.7 | 147.4 | 176.3 | -66.7 | -62.2 | 127.8 | 0 | 0 | 112 | S11 | S11-E17 WeakPolarHBondContact CB-OE1 3.37Å; S11-E17 PolarHBondContact OG-OE1 3.23Å; S11-E17 PolarHBondContact OG-OE2 3.04Å | ||
| 18 | P | 95.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.019 | 20% | 0.197 | C | C | . | . | trans | -72.1 | 152.8 | 174.9 | 31 | -34.1 | 0 | 0 | 0 | 112 | V7 F10 A60 I457 | V7-P18 HydrophobicContact CG1-CG 4.08Å; V7-P18 HydrophobicContact CG2-CG 4.35Å; F10-P18 HydrophobicContact CD1-CB 3.82Å; F10-P18 HydrophobicContact CD1-CG 4.12Å; F10-P18 HydrophobicContact CD2-CB 4.27Å; F10-P18 HydrophobicContact CE1-CB 4.04Å; F10-P18 HydrophobicContact CE2-CB 4.47Å; F10-P18 HydrophobicContact CG-CB 4Å; F10-P18 HydrophobicContact CG-CG 4.3Å; F10-P18 HydrophobicContact CZ-CB 4.4Å; P18-A60 HydrophobicContact CB-CB 3.8Å; P18-A60 HydrophobicContact CG-CB 3.97Å; P18-I457 HydrophobicContact CG-CD1 4.01Å | ||
| 19 | E | 94.8 | Very high | 95.2 | Very high | 34 Ų | 34 | 32.7 Ų | 32.7 | 16% | 0.159 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -89.8 | -38.7 | 177 | -64 | -175.8 | 154 | 0 | 0 | 111.6 | V61 F62 V63 F456 I457 K458 | E19-V61 PolarHBondContact N-O 3.41Å; E19-F62 HydrophobicContact CG-CD2 3.73Å; E19-F62 HydrophobicContact CG-CE2 4.1Å; E19-F62 HydrophobicContact CG-CG 4.48Å; E19-V63 PolarHBondContact OE2-N 2.95Å; E19-F456 HydrophobicContact CB-CE2 4.4Å; E19-F456 VanDerWaalsContact O-CD2 3.27Å; E19-F456 WeakPolarHBondContact O-CD2 3.42Å; E19-I457 PolarHBondContact O-N 2.96Å; E19-K458 HydrophobicContact CG-CD 4.49Å |
| 20 | Y | 94.7 | Very high | 95.1 | Very high | 18 Ų | 18 | 29 Ų | 29 | 7% | 0.071 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 147.1 | -178.7 | -61.9 | -83.8 | 0 | 0 | 0 | 111.6 | A60 V61 V63 C148 D153 V454 R455 F456 | Y20-A60 WeakPolarHBondContact O-CA 3.34Å; Y20-V61 PolarHBondContact N-O 3.25Å; Y20-V61 PolarHBondContact O-N 3.41Å; Y20-V63 HydrophobicContact CD2-CG2 4.05Å; Y20-V63 HydrophobicContact CE2-CG2 3.75Å; Y20-C148 HydrophobicContact CD1-CB 4.14Å; Y20-C148 HydrophobicContact CD2-CB 4.02Å; Y20-C148 HydrophobicContact CE1-CB 4.32Å; Y20-C148 HydrophobicContact CE2-CB 4.21Å; Y20-C148 HydrophobicContact CG-CB 3.98Å; Y20-D153 WeakPolarHBondContact CE1-OD1 3.32Å; Y20-D153 PolarHBondContact OH-OD1 3.08Å; Y20-V454 HydrophobicContact CD1-CG1 3.96Å; Y20-R455 CarbonylContact C-O 3.6Å; Y20-R455 WeakPolarHBondContact CA-O 3.28Å; Y20-F456 HydrophobicContact CD1-CD2 4.13Å; Y20-F456 AromaticContact CE1-CD2 3.76Å; Y20-F456 HydrophobicContact CE1-CD2 3.76Å; Y20-F456 HydrophobicContact CE1-CE2 4.46Å |
| 21 | L | 95.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 120.3 | 164.8 | 178.7 | 78.5 | 0 | 0 | 0 | 109.7 | E3 V7 A59 V454 R455 I457 | E3-L21 HydrophobicContact CG-CD1 4.4Å; E3-L21 HydrophobicContact CG-CD2 3.47Å; E3-L21 VanDerWaalsContact CG-CD2 3.47Å; E3-L21 WeakPolarHBondContact OE1-CD2 3.28Å; V7-L21 HydrophobicContact CG2-CD1 4.3Å; L21-A59 WeakPolarHBondContact CA-O 3.49Å; L21-V454 CarbonylContact O-C 3.5Å; L21-V454 WeakPolarHBondContact O-CA 3.23Å; L21-R455 PolarHBondContact N-O 3.26Å; L21-R455 PolarHBondContact O-N 3.22Å; L21-I457 HydrophobicContact CB-CD1 3.59Å; L21-I457 HydrophobicContact CB-CG1 4.14Å |
| 22 | V | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 132.9 | 175 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | Y58 A59 L144 I453 V454 | V22-Y58 CarbonylContact O-C 3.6Å; V22-Y58 VanDerWaalsContact O-CA 3.22Å; V22-Y58 WeakPolarHBondContact O-CA 3.37Å; V22-A59 HydrophobicContact CB-CB 4.31Å; V22-A59 PolarHBondContact N-O 2.9Å; V22-A59 PolarHBondContact O-N 3.2Å; V22-L144 HydrophobicContact CG1-CB 3.66Å; V22-L144 HydrophobicContact CG1-CD1 3.82Å; V22-L144 HydrophobicContact CG1-CG 4.42Å; V22-L144 HydrophobicContact CG2-CB 4.36Å; V22-I453 CarbonylContact C-O 3.54Å; V22-I453 WeakPolarHBondContact CA-O 3.32Å; V22-V454 HydrophobicContact CG2-CG2 4.35Å |
| 23 | R | 96.5 | Very high | 92.2 | Very high | 28 Ų | 28 | 22.1 Ų | 22.1 | 11% | 0.106 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.2 | 170.7 | 178.3 | -170 | 171.3 | -87.4 | -5.6 | 109.1 | I53 Q54 A56 I57 Y58 S449 A450 A452 I453 | R23-I53 PolarHBondContact NH2-O 3.37Å; R23-Q54 PolarHBondContact NH2-O 2.89Å; R23-A56 HydrophobicContact CG-CB 3.63Å; R23-I57 CarbonylContact C-O 3.52Å; R23-I57 WeakPolarHBondContact CA-O 3.49Å; R23-Y58 HydrophobicContact CB-CD1 4.08Å; R23-Y58 HydrophobicContact CB-CE1 4.01Å; R23-Y58 HydrophobicContact CG-CD1 4.12Å; R23-Y58 HydrophobicContact CG-CE1 3.67Å; R23-S449 PolarHBondContact NH2-OG 3.3Å; R23-A450 PolarHBondContact NH1-O 2.92Å; R23-A452 CarbonylContact O-C 3.53Å; R23-A452 WeakPolarHBondContact O-CA 3.27Å; R23-A452 WeakPolarHBondContact O-CB 3.4Å; R23-I453 PolarHBondContact N-O 3.48Å; R23-I453 PolarHBondContact O-N 3.24Å |
| 24 | C | 96.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 110.9 | 175 | -71 | 0 | 0 | 0 | 0 | 110 | A56 I57 A137 C140 C141 | C24-A56 CarbonylContact O-C 3.49Å; C24-A56 WeakPolarHBondContact O-CA 3.38Å; C24-A56 VanDerWaalsContact O-CB 3.3Å; C24-A56 WeakPolarHBondContact O-CB 3.23Å; C24-I57 PolarHBondContact N-O 3.03Å; C24-I57 PolarHBondContact O-N 3.19Å; C24-A137 HydrophobicContact CB-CB 4.19Å; C24-A137 VanDerWaalsContact CB-O 3.26Å; C24-A137 WeakPolarHBondContact CB-O 3.45Å; C24-C140 HydrophobicContact CB-CB 4.42Å; C24-C141 HydrophobicContact CB-CB 4.18Å; C24-C141 WeakPolarHBondContact SG-CA 3.28Å; C24-C141 PolarHBondContact SG-N 3.46Å; C24-C141 VanDerWaalsContact SG-N 3.36Å |
| 25 | P | 96.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 154 | -179 | 32.7 | -37.8 | 0 | 0 | 0 | 111.8 | A52 I53 Q55 C187 A450 | P25-A52 HydrophobicContact CB-CB 4.07Å; P25-A52 HydrophobicContact CG-CB 3.87Å; P25-I53 WeakPolarHBondContact CB-O 3.45Å; P25-Q55 WeakPolarHBondContact CA-O 3.05Å; P25-C187 WeakPolarHBondContact CD-O 3.28Å; P25-C187 PolarHBondContact O-SG 3.17Å; P25-A450 WeakPolarHBondContact CG-O 3.29Å |
| 26 | G | 94.4 | Very high | 84.5 | Confident | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -173 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111 | A52 I53 Q55 L132 | G26-A52 WeakPolarHBondContact O-CA 3.39Å; G26-I53 PolarHBondContact O-N 2.91Å; G26-Q55 PolarHBondContact N-O 2.87Å; G26-L132 VanDerWaalsContact CA-O 3.24Å; G26-L132 WeakPolarHBondContact CA-O 3.33Å |
| 27 | R | 94.5 | Very high | 82 | Confident | 1 Ų | 1 | 12.3 Ų | 12.3 | 0% | 0.004 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 163 | 176.1 | 66 | 82.5 | -172.5 | 169.7 | -2.3 | 112.2 | L36 I51 L132 M182 D183 I186 | R27-L36 PolarHBondContact NH2-O 2.72Å; R27-L36 VanDerWaalsContact NH2-O 3.11Å; R27-I51 VanDerWaalsContact CA-O 3.22Å; R27-I51 WeakPolarHBondContact CA-O 3.37Å; R27-I51 VanDerWaalsContact CB-O 3.26Å; R27-I51 WeakPolarHBondContact CB-O 3.33Å; R27-L132 PolarHBondContact N-O 3.09Å; R27-L132 WeakPolarHBondContact O-CA 3.25Å; R27-M182 HydrophobicContact CG-SD 4.29Å; R27-D183 IonicContact CZ-OD1 2.84Å; R27-D183 VanDerWaalsContact CZ-OD1 3.26Å; R27-D183 IonicContact NE-OD1 2.57Å; R27-D183 PolarHBondContact NE-OD1 3.34Å; R27-D183 IonicContact NH2-OD1 3.32Å; R27-D183 PolarHBondContact NH2-OD1 2.89Å; R27-D183 IonicContact NH2-OD2 2.8Å; R27-I186 HydrophobicContact CB-CG1 4.48Å; R27-I186 HydrophobicContact CB-CG2 3.53Å; R27-I186 HydrophobicContact CG-CG2 3.7Å |
| 28 | V | 93.6 | Very high | 79.6 | Confident | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 136.7 | 163.3 | 167.9 | 0 | 0 | 0 | 0 | 106.5 | L30 P50 I51 I53 L132 V218 T401 V410 | V28-L30 HydrophobicContact CG1-CD2 4.27Å; V28-P50 WeakPolarHBondContact O-CA 3.42Å; V28-I51 HydrophobicContact CB-CG1 4.08Å; V28-I51 PolarHBondContact N-O 2.92Å; V28-I51 PolarHBondContact O-N 3.4Å; V28-I53 HydrophobicContact CB-CG2 4.12Å; V28-I53 HydrophobicContact CG2-CG2 3.58Å; V28-L132 HydrophobicContact CG2-CD2 3.7Å; V28-V218 HydrophobicContact CG2-CG2 3.46Å; V28-V218 VanDerWaalsContact CG2-CG2 3.46Å; V28-T401 HydrophobicContact CG1-CG2 4.25Å; V28-T401 HydrophobicContact CG2-CG2 4.46Å; V28-V410 HydrophobicContact CG1-CB 3.52Å; V28-V410 HydrophobicContact CG1-CG1 3.85Å; V28-V410 HydrophobicContact CG1-CG2 3.58Å |
| 29 | N | 92.4 | Very high | 77.5 | Confident | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 130.9 | 169.8 | -168.3 | 20.3 | 0 | 0 | 0 | 110.1 | M31 G32 E33 E39 L49 T401 V410 | N29-M31 PolarHBondContact ND2-O 3.29Å; N29-M31 PolarHBondContact OD1-N 3.11Å; N29-M31 PolarHBondContact OD1-O 3.03Å; N29-G32 PolarHBondContact ND2-O 3.37Å; N29-E33 HydrophobicContact CB-CB 4.12Å; N29-E33 HydrophobicContact CB-CG 3.81Å; N29-E33 WeakPolarHBondContact ND2-CA 3.35Å; N29-E33 WeakPolarHBondContact ND2-CB 3.4Å; N29-E33 PolarHBondContact ND2-N 2.91Å; N29-E39 WeakPolarHBondContact CB-OE1 3.47Å; N29-E39 VanDerWaalsContact ND2-CD 3.25Å; N29-E39 PolarHBondContact ND2-OE1 3.11Å; N29-E39 PolarHBondContact OD1-OE1 3.22Å; N29-L49 PolarHBondContact OD1-O 3.48Å; N29-L49 VanDerWaalsContact OD1-O 3.05Å; N29-T401 PolarHBondContact N-OG1 3.33Å; N29-T401 VanDerWaalsContact N-OG1 3.16Å; N29-V410 WeakPolarHBondContact O-CG1 3.34Å |
| 30 | L | 93.8 | Very high | 75.8 | Confident | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -37.4 | 176.7 | -54.6 | -179.9 | 0 | 0 | 0 | 111 | V28 L49 I51 A195 I210 F216 F335 L362 R399 V410 | V28-L30 HydrophobicContact CG1-CD2 4.27Å; L30-L49 VanDerWaalsContact CB-O 3.29Å; L30-L49 WeakPolarHBondContact CB-O 3.17Å; L30-L49 PolarHBondContact N-O 2.95Å; L30-L49 VanDerWaalsContact N-O 3.08Å; L30-I51 HydrophobicContact CD1-CG2 3.78Å; L30-I51 HydrophobicContact CD2-CD1 4Å; L30-I51 HydrophobicContact CD2-CG1 4.14Å; L30-I51 HydrophobicContact CG-CG1 4.32Å; L30-I51 HydrophobicContact CG-CG2 4.27Å; L30-A195 HydrophobicContact CD1-CB 4.01Å; L30-I210 HydrophobicContact CD1-CD1 4.05Å; L30-F216 HydrophobicContact CD1-CD2 4.5Å; L30-F216 HydrophobicContact CD1-CE1 4.32Å; L30-F216 HydrophobicContact CD1-CE2 3.67Å; L30-F216 HydrophobicContact CD1-CZ 3.57Å; L30-F216 HydrophobicContact CD2-CD1 3.83Å; L30-F216 HydrophobicContact CD2-CD2 3.98Å; L30-F216 HydrophobicContact CD2-CE1 3.72Å; L30-F216 HydrophobicContact CD2-CE2 3.87Å; L30-F216 HydrophobicContact CD2-CG 3.96Å; L30-F216 HydrophobicContact CD2-CZ 3.75Å; L30-F216 HydrophobicContact CG-CE2 4.44Å; L30-F216 HydrophobicContact CG-CZ 4.25Å; L30-F335 HydrophobicContact CB-CE2 4.42Å; L30-F335 HydrophobicContact CB-CZ 4.13Å; L30-F335 HydrophobicContact CD1-CE1 4.33Å; L30-F335 HydrophobicContact CD1-CZ 4.22Å; L30-L362 WeakPolarHBondContact O-CD2 3.38Å; L30-R399 WeakPolarHBondContact O-CD 3.3Å; L30-V410 HydrophobicContact CD2-CG2 4.13Å |
| 31 | M | 91.5 | Very high | 74.6 | Confident | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.02 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 153.8 | -176.2 | -163.7 | 54.5 | 62.2 | 0 | 0 | 111.2 | N29 E33 L49 E328 R331 V332 F335 L361 L362 | N29-M31 PolarHBondContact ND2-O 3.29Å; N29-M31 PolarHBondContact OD1-N 3.11Å; N29-M31 PolarHBondContact OD1-O 3.03Å; M31-E33 VanDerWaalsContact C-N 3.32Å; M31-L49 HydrophobicContact CB-CB 4.27Å; M31-L49 PolarHBondContact O-N 2.94Å; M31-E328 VanDerWaalsContact SD-OE1 3.41Å; M31-R331 VanDerWaalsContact CG-C 3.47Å; M31-R331 HydrophobicContact CG-CB 3.98Å; M31-R331 WeakPolarHBondContact CG-O 3.48Å; M31-R331 HydrophobicContact SD-CB 3.55Å; M31-R331 VanDerWaalsContact SD-CB 3.55Å; M31-V332 HydrophobicContact CB-CG2 4.33Å; M31-V332 HydrophobicContact CG-CB 4.43Å; M31-V332 HydrophobicContact CG-CG2 3.97Å; M31-F335 HydrophobicContact CB-CB 4.22Å; M31-F335 HydrophobicContact CB-CD2 4.11Å; M31-F335 HydrophobicContact CB-CG 4.26Å; M31-F335 HydrophobicContact CE-CD2 3.88Å; M31-F335 HydrophobicContact CE-CE2 4.49Å; M31-F335 HydrophobicContact CG-CB 4.18Å; M31-F335 HydrophobicContact CG-CD2 4.47Å; M31-L361 HydrophobicContact CE-CB 3.67Å; M31-L362 HydrophobicContact CE-CD2 3.83Å; M31-L362 HydrophobicContact CE-CG 4.47Å |
| 32 | G | 78.9 | Confident | 73.8 | Confident | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.02 | C | C | . | . | S | Bend | trans | 87.7 | 17.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N29 V41 E328 | N29-G32 PolarHBondContact ND2-O 3.37Å; G32-V41 WeakPolarHBondContact O-CG2 3.3Å; G32-E328 WeakPolarHBondContact CA-OE1 3.4Å; G32-E328 PolarHBondContact N-OE1 2.78Å |
| 33 | E | 58 | Low | 73.2 | Confident | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 2% | 0.024 | C | C | . | . | trans | -92.7 | 145.9 | -172.3 | -153 | -165.9 | 140.8 | 0 | 0 | 110.1 | N29 M31 E39 E328 R399 L400 T401 G402 | N29-E33 HydrophobicContact CB-CB 4.12Å; N29-E33 HydrophobicContact CB-CG 3.81Å; N29-E33 WeakPolarHBondContact ND2-CA 3.35Å; N29-E33 WeakPolarHBondContact ND2-CB 3.4Å; N29-E33 PolarHBondContact ND2-N 2.91Å; M31-E33 VanDerWaalsContact C-N 3.32Å; E33-E39 HydrophobicContact CG-CG 4.31Å; E33-E328 PolarHBondContact N-OE1 3.46Å; E33-R399 VanDerWaalsContact CB-NH1 3.31Å; E33-R399 IonicContact OE2-CZ 3.61Å; E33-R399 VanDerWaalsContact OE2-CZ 3.24Å; E33-R399 IonicContact OE2-NE 2.96Å; E33-R399 PolarHBondContact OE2-NE 3.28Å; E33-R399 IonicContact OE2-NH1 2.83Å; E33-R399 IonicContact OE2-NH2 3.63Å; E33-L400 VanDerWaalsContact OE1-CD1 3.24Å; E33-L400 WeakPolarHBondContact OE1-CD1 3.31Å; E33-L400 VanDerWaalsContact OE1-O 3.09Å; E33-T401 WeakPolarHBondContact OE1-CA 3.21Å; E33-T401 PolarHBondContact OE1-N 3.1Å; E33-T401 VanDerWaalsContact OE2-CA 3.28Å; E33-T401 WeakPolarHBondContact OE2-CA 3.29Å; E33-G402 PolarHBondContact OE1-N 2.9Å | ||
| 34 | H | 47.8 | Very low | 72.9 | Confident | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.019 | C | C | . | . | trans | -161 | 144.6 | 176.5 | -174.3 | -50 | 0 | 0 | 0 | 102.6 | E39 H40 Y43 H324 Y373 | H34-E39 CarbonylContact O-C 3.56Å; H34-E39 WeakPolarHBondContact O-CA 3.12Å; H34-H40 HydrophobicContact CB-CB 3.68Å; H34-H40 WeakPolarHBondContact CE1-CB 3.46Å; H34-H40 AromaticContact CE1-CD2 3.42Å; H34-H40 PolarHBondContact CE1-CD2 2.95Å; H34-H40 VanDerWaalsContact CE1-CD2 3.42Å; H34-H40 AromaticContact CE1-CE1 3.46Å; H34-H40 PolarHBondContact CE1-CE1 3.03Å; H34-H40 VanDerWaalsContact CE1-CE1 3.46Å; H34-H40 AromaticContact CE1-CG 2.89Å; H34-H40 AromaticContact CE1-ND1 2.96Å; H34-H40 PolarHBondContact CE1-ND1 3.42Å; H34-H40 AromaticContact CE1-NE2 3.65Å; H34-H40 AromaticContact CG-CD2 3.84Å; H34-H40 AromaticContact CG-CG 3.79Å; H34-H40 WeakPolarHBondContact ND1-CB 3.29Å; H34-H40 AromaticContact ND1-CD2 2.96Å; H34-H40 PolarHBondContact ND1-CD2 3.35Å; H34-H40 AromaticContact ND1-CE1 3.54Å; H34-H40 AromaticContact ND1-CG 2.96Å; H34-H40 AromaticContact ND1-ND1 3.36Å; H34-H40 PolarHBondContact ND1-ND1 3.09Å; H34-H40 AromaticContact ND1-NE2 3.25Å; H34-H40 PolarHBondContact ND1-NE2 3.13Å; H34-H40 WeakPolarHBondContact NE2-CB 3.37Å; H34-H40 AromaticContact NE2-CG 3.79Å; H34-H40 PolarHBondContact O-CD2 3.17Å; H34-H40 PolarHBondContact O-N 3.15Å; H34-Y43 PolarHBondContact CE1-OH 3.23Å; H34-H324 AromaticContact CD2-CD2 3.14Å; H34-H324 PolarHBondContact CD2-CD2 2.86Å; H34-H324 AromaticContact CD2-NE2 3.21Å; H34-H324 PolarHBondContact CD2-NE2 2.84Å; H34-H324 AromaticContact CG-CD2 3.76Å; H34-H324 AromaticContact CG-NE2 3.35Å; H34-H324 AromaticContact NE2-CD2 3.99Å; H34-Y373 AromaticContact CD2-CD2 3.61Å; H34-Y373 AromaticContact CD2-CE2 3.53Å; H34-Y373 AromaticContact CD2-CG 3.95Å; H34-Y373 AromaticContact CD2-CZ 3.86Å; H34-Y373 AromaticContact CE1-CD1 3.36Å; H34-Y373 WeakPolarHBondContact CE1-CD1 3.3Å; H34-Y373 AromaticContact CE1-CD2 3.73Å; H34-Y373 AromaticContact CE1-CE1 2.73Å; H34-Y373 WeakPolarHBondContact CE1-CE1 3.25Å; H34-Y373 AromaticContact CE1-CE2 3.15Å; H34-Y373 WeakPolarHBondContact CE1-CE2 3.44Å; H34-Y373 AromaticContact CE1-CG 3.84Å; H34-Y373 AromaticContact CE1-CZ 2.64Å; H34-Y373 PolarHBondContact CE1-OH 2.69Å; H34-Y373 AromaticContact CG-CD1 3.81Å; H34-Y373 AromaticContact CG-CE1 3.96Å; H34-Y373 AromaticContact CG-CG 3.91Å; H34-Y373 AromaticContact ND1-CD1 3.19Å; H34-Y373 WeakPolarHBondContact ND1-CD1 3.4Å; H34-Y373 AromaticContact ND1-CE1 3.03Å; H34-Y373 WeakPolarHBondContact ND1-CE1 3.22Å; H34-Y373 AromaticContact ND1-CE2 3.89Å; H34-Y373 AromaticContact ND1-CG 3.75Å; H34-Y373 AromaticContact ND1-CZ 3.45Å; H34-Y373 AromaticContact NE2-CD1 3.93Å; H34-Y373 AromaticContact NE2-CD2 3.43Å; H34-Y373 WeakPolarHBondContact NE2-CD2 3.34Å; H34-Y373 AromaticContact NE2-CE1 3.46Å; H34-Y373 WeakPolarHBondContact NE2-CE1 3.49Å; H34-Y373 AromaticContact NE2-CE2 2.84Å; H34-Y373 WeakPolarHBondContact NE2-CE2 3.32Å; H34-Y373 AromaticContact NE2-CG 3.95Å; H34-Y373 AromaticContact NE2-CZ 2.91Å; H34-Y373 PolarHBondContact NE2-OH 2.83Å; H34-Y373 VanDerWaalsContact NE2-OH 3.11Å | ||
| 35 | P | 37.3 | Very low | 72.6 | Confident | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.025 | C | C | . | . | S | Bend | trans | -101.8 | 117.4 | -148.3 | 30.6 | -34.7 | 0 | 0 | 0 | 124.8 | H40 Y234 C375 L400 G402 A403 G404 W405 | P35-H40 VanDerWaalsContact C-CD2 3.42Å; P35-H40 WeakPolarHBondContact CA-NE2 3.49Å; P35-H40 PolarHBondContact O-NE2 2.99Å; P35-Y234 WeakPolarHBondContact O-CD2 3.46Å; P35-C375 HydrophobicContact CB-CB 4.4Å; P35-C375 WeakPolarHBondContact CD-SG 3.25Å; P35-C375 HydrophobicContact CG-CB 3.09Å; P35-C375 WeakPolarHBondContact CG-SG 3.33Å; P35-L400 HydrophobicContact CB-CD1 4.4Å; P35-G402 CarbonylContact C-O 3.58Å; P35-G402 WeakPolarHBondContact CA-O 3.43Å; P35-G402 WeakPolarHBondContact CB-O 3.31Å; P35-A403 VanDerWaalsContact CB-O 3.27Å; P35-A403 WeakPolarHBondContact CB-O 3.18Å; P35-G404 VanDerWaalsContact CB-N 3.27Å; P35-W405 HydrophobicContact CB-CZ3 4.49Å; P35-W405 HydrophobicContact CG-CH2 4.41Å; P35-W405 HydrophobicContact CG-CZ3 4.14Å |
| 36 | L | 37.5 | Very low | 72.5 | Confident | 14 Ų | 14 | 5 Ų | 5 | 7% | 0.073 | 3% | 0.026 | C | C | . | . | S | Bend | trans | -158.4 | -166.7 | 133.4 | -115.2 | 157.3 | 0 | 0 | 0 | 108.9 | R27 R38 S230 Y234 G402 A403 | R27-L36 PolarHBondContact NH2-O 2.72Å; R27-L36 VanDerWaalsContact NH2-O 3.11Å; L36-R38 CarbonylContact C-O 3.4Å; L36-R38 PolarHBondContact N-O 2.96Å; L36-R38 CarbonylContact O-C 3.59Å; L36-R38 PolarHBondContact O-N 2.91Å; L36-S230 WeakPolarHBondContact CD1-O 3.44Å; L36-Y234 HydrophobicContact CB-CD2 3.45Å; L36-Y234 VanDerWaalsContact CB-CD2 3.45Å; L36-Y234 HydrophobicContact CB-CE2 3.68Å; L36-Y234 HydrophobicContact CB-CG 4.18Å; L36-Y234 VanDerWaalsContact CD1-CB 3.41Å; L36-Y234 HydrophobicContact CD1-CD2 3.84Å; L36-Y234 HydrophobicContact CD1-CG 3.84Å; L36-Y234 HydrophobicContact CG-CD2 4.17Å; L36-G402 PolarHBondContact N-O 3.07Å; L36-G402 CarbonylContact O-C 3.52Å; L36-G402 VanDerWaalsContact O-O 3.13Å; L36-A403 HydrophobicContact CB-CB 4.12Å; L36-A403 HydrophobicContact CD2-CB 3.35Å; L36-A403 HydrophobicContact CG-CB 3.64Å |
| 37 | E | 41.9 | Very low | 72.4 | Confident | 40 Ų | 40 | 5.5 Ų | 5.5 | 19% | 0.187 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -55.6 | 6.4 | 165.5 | -73.1 | -171 | 128.3 | 0 | 0 | 113.2 | S134 S135 S136 | E37-S134 PolarHBondContact OE1-N 3.31Å; E37-S134 VanDerWaalsContact OE1-N 3.11Å; E37-S134 PolarHBondContact OE1-OG 3.13Å; E37-S135 PolarHBondContact OE1-N 3.48Å; E37-S135 PolarHBondContact OE1-OG 3.04Å; E37-S135 WeakPolarHBondContact OE2-CB 3.34Å; E37-S135 PolarHBondContact OE2-OG 3.15Å; E37-S136 PolarHBondContact O-OG 2.6Å |
| 38 | R | 44.7 | Very low | 72.4 | Confident | 1 Ų | 1 | 5.4 Ų | 5.4 | 0% | 0.004 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -142.6 | 142 | 158.4 | -50.3 | -165.2 | 179.9 | -177.6 | -0.4 | 111.2 | L36 C168 A169 E172 G180 D183 Q184 Y234 | L36-R38 CarbonylContact C-O 3.4Å; L36-R38 PolarHBondContact N-O 2.96Å; L36-R38 CarbonylContact O-C 3.59Å; L36-R38 PolarHBondContact O-N 2.91Å; R38-C168 PolarHBondContact NH2-O 2.98Å; R38-A169 PolarHBondContact NH1-O 3.49Å; R38-E172 IonicContact CZ-OE1 3.52Å; R38-E172 IonicContact CZ-OE2 3.26Å; R38-E172 IonicContact NE-OE1 3.17Å; R38-E172 IonicContact NE-OE2 3.7Å; R38-E172 PolarHBondContact NE-OE2 2.83Å; R38-E172 IonicContact NH2-OE1 3.92Å; R38-E172 PolarHBondContact NH2-OE1 3.48Å; R38-E172 IonicContact NH2-OE2 2.97Å; R38-E172 PolarHBondContact NH2-OE2 3.25Å; R38-G180 VanDerWaalsContact CD-O 3.22Å; R38-G180 WeakPolarHBondContact CD-O 3.2Å; R38-G180 PolarHBondContact NH1-O 3.42Å; R38-D183 WeakPolarHBondContact CA-OD2 3.4Å; R38-D183 WeakPolarHBondContact CB-OD2 3.36Å; R38-D183 HydrophobicContact CG-CB 4.49Å; R38-D183 VanDerWaalsContact CG-OD2 3.29Å; R38-D183 WeakPolarHBondContact CG-OD2 3.3Å; R38-Q184 VanDerWaalsContact NE-NE2 3.13Å; R38-Y234 WeakPolarHBondContact O-CE2 3.3Å |
| 39 | E | 50.5 | Low | 72.4 | Confident | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.029 | C | C | . | . | trans | -63.2 | -176.9 | -178.7 | -75.9 | 155.4 | -171.8 | 0 | 0 | 111.1 | N29 E33 H34 D42 T48 M182 Y234 | N29-E39 WeakPolarHBondContact CB-OE1 3.47Å; N29-E39 VanDerWaalsContact ND2-CD 3.25Å; N29-E39 PolarHBondContact ND2-OE1 3.11Å; N29-E39 PolarHBondContact OD1-OE1 3.22Å; E33-E39 HydrophobicContact CG-CG 4.31Å; H34-E39 CarbonylContact O-C 3.56Å; H34-E39 WeakPolarHBondContact O-CA 3.12Å; E39-D42 HydrophobicContact CB-CB 4.41Å; E39-T48 HydrophobicContact CB-CG2 4.36Å; E39-T48 WeakPolarHBondContact OE2-CB 3.32Å; E39-T48 WeakPolarHBondContact OE2-CG2 3.43Å; E39-T48 PolarHBondContact OE2-OG1 3.08Å; E39-M182 HydrophobicContact CB-CE 4.23Å; E39-M182 HydrophobicContact CG-CE 3.41Å; E39-M182 VanDerWaalsContact CG-CE 3.41Å; E39-M182 WeakPolarHBondContact OE1-CE 3.35Å; E39-M182 WeakPolarHBondContact OE2-CB 3.22Å; E39-M182 WeakPolarHBondContact OE2-CG 3.12Å; E39-Y234 PolarHBondContact O-OH 3.22Å | ||
| 40 | H | 59.2 | Low | 72.6 | Confident | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -137.9 | -6.1 | 174.9 | -60.8 | -133.1 | 0 | 0 | 0 | 114.4 | H34 P35 D42 Y43 N44 Y234 | H34-H40 HydrophobicContact CB-CB 3.68Å; H34-H40 WeakPolarHBondContact CE1-CB 3.46Å; H34-H40 AromaticContact CE1-CD2 3.42Å; H34-H40 PolarHBondContact CE1-CD2 2.95Å; H34-H40 VanDerWaalsContact CE1-CD2 3.42Å; H34-H40 AromaticContact CE1-CE1 3.46Å; H34-H40 PolarHBondContact CE1-CE1 3.03Å; H34-H40 VanDerWaalsContact CE1-CE1 3.46Å; H34-H40 AromaticContact CE1-CG 2.89Å; H34-H40 AromaticContact CE1-ND1 2.96Å; H34-H40 PolarHBondContact CE1-ND1 3.42Å; H34-H40 AromaticContact CE1-NE2 3.65Å; H34-H40 AromaticContact CG-CD2 3.84Å; H34-H40 AromaticContact CG-CG 3.79Å; H34-H40 WeakPolarHBondContact ND1-CB 3.29Å; H34-H40 AromaticContact ND1-CD2 2.96Å; H34-H40 PolarHBondContact ND1-CD2 3.35Å; H34-H40 AromaticContact ND1-CE1 3.54Å; H34-H40 AromaticContact ND1-CG 2.96Å; H34-H40 AromaticContact ND1-ND1 3.36Å; H34-H40 PolarHBondContact ND1-ND1 3.09Å; H34-H40 AromaticContact ND1-NE2 3.25Å; H34-H40 PolarHBondContact ND1-NE2 3.13Å; H34-H40 WeakPolarHBondContact NE2-CB 3.37Å; H34-H40 AromaticContact NE2-CG 3.79Å; H34-H40 PolarHBondContact O-CD2 3.17Å; H34-H40 PolarHBondContact O-N 3.15Å; P35-H40 VanDerWaalsContact C-CD2 3.42Å; P35-H40 WeakPolarHBondContact CA-NE2 3.49Å; P35-H40 PolarHBondContact O-NE2 2.99Å; H40-D42 WeakPolarHBondContact CA-OD1 3.42Å; H40-D42 PolarHBondContact N-OD1 3.39Å; H40-Y43 VanDerWaalsContact CA-CD1 3.45Å; H40-Y43 HydrophobicContact CB-CD1 3.77Å; H40-Y43 HydrophobicContact CB-CE1 3.01Å; H40-Y43 HydrophobicContact CB-CE2 4.09Å; H40-Y43 VanDerWaalsContact CB-OH 3.24Å; H40-Y43 WeakPolarHBondContact CB-OH 3.5Å; H40-Y43 AromaticContact CG-CD1 4Å; H40-Y43 AromaticContact CG-CE1 3Å; H40-Y43 AromaticContact CG-CZ 3.4Å; H40-Y43 VanDerWaalsContact CG-CZ 3.4Å; H40-Y43 VanDerWaalsContact CG-OH 3.26Å; H40-Y43 AromaticContact ND1-CE1 2.98Å; H40-Y43 WeakPolarHBondContact ND1-CE1 3.43Å; H40-Y43 AromaticContact ND1-CZ 3.17Å; H40-Y43 PolarHBondContact ND1-OH 2.81Å; H40-Y43 WeakPolarHBondContact O-CE2 3.49Å; H40-N44 WeakPolarHBondContact O-CB 3.13Å; H40-N44 PolarHBondContact O-N 3.04Å; H40-N44 PolarHBondContact O-ND2 3.11Å; H40-Y234 AromaticContact CD2-CD2 3.89Å; H40-Y234 AromaticContact CD2-CE2 3.32Å; H40-Y234 WeakPolarHBondContact CD2-CE2 3.26Å; H40-Y234 AromaticContact CE1-CD2 3.06Å; H40-Y234 WeakPolarHBondContact CE1-CD2 3.41Å; H40-Y234 AromaticContact CE1-CE2 3.19Å; H40-Y234 WeakPolarHBondContact CE1-CE2 3.12Å; H40-Y234 AromaticContact CE1-CG 3.97Å; H40-Y234 AromaticContact CG-CE2 3.66Å; H40-Y234 AromaticContact ND1-CD2 3.8Å; H40-Y234 AromaticContact ND1-CE2 3.5Å; H40-Y234 AromaticContact NE2-CD2 3.18Å; H40-Y234 WeakPolarHBondContact NE2-CD2 3.37Å; H40-Y234 AromaticContact NE2-CE2 3.13Å; H40-Y234 WeakPolarHBondContact NE2-CE2 3.49Å |
| 41 | V | 69.5 | Low | 72.6 | Confident | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -70 | -27.2 | 158.8 | -49.8 | 0 | 0 | 0 | 0 | 109.3 | G32 N44 G45 Y46 T48 V325 E328 | G32-V41 WeakPolarHBondContact O-CG2 3.3Å; V41-N44 CarbonylContact O-C 3.55Å; V41-N44 VanDerWaalsContact O-C 3.27Å; V41-N44 WeakPolarHBondContact O-CA 3.43Å; V41-N44 WeakPolarHBondContact O-CB 3.21Å; V41-N44 PolarHBondContact O-N 3.24Å; V41-N44 VanDerWaalsContact O-N 3.12Å; V41-G45 PolarHBondContact O-N 2.86Å; V41-Y46 PolarHBondContact O-N 2.8Å; V41-T48 HydrophobicContact CG2-CG2 3.25Å; V41-V325 HydrophobicContact CG1-CG1 4.33Å; V41-E328 HydrophobicContact CG1-CB 4.12Å; V41-E328 HydrophobicContact CG1-CG 3.95Å |
| 42 | D | 79.6 | Confident | 72.9 | Confident | 6 Ų | 6 | 5.4 Ų | 5.4 | 3% | 0.032 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -48.2 | 179 | 65.3 | -12.6 | 0 | 0 | 0 | 113.6 | E39 H40 N44 G45 T48 G180 G181 F200 | E39-D42 HydrophobicContact CB-CB 4.41Å; H40-D42 WeakPolarHBondContact CA-OD1 3.42Å; H40-D42 PolarHBondContact N-OD1 3.39Å; D42-N44 PolarHBondContact O-N 3.37Å; D42-G45 WeakPolarHBondContact O-CA 3.3Å; D42-G45 PolarHBondContact O-N 3.16Å; D42-T48 HydrophobicContact CB-CG2 4.18Å; D42-G180 WeakPolarHBondContact OD2-CA 3.22Å; D42-G181 PolarHBondContact OD2-N 2.96Å; D42-F200 HydrophobicContact CB-CD1 4.49Å; D42-F200 HydrophobicContact CB-CD2 3.8Å; D42-F200 HydrophobicContact CB-CE1 3.99Å; D42-F200 HydrophobicContact CB-CE2 3.22Å; D42-F200 HydrophobicContact CB-CG 4.42Å; D42-F200 HydrophobicContact CB-CZ 3.34Å |
| 43 | Y | 82 | Confident | 73.6 | Confident | 24 Ų | 24 | 5.4 Ų | 5.4 | 9% | 0.094 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -17 | 172.8 | 69.2 | -121.8 | 0 | 0 | 0 | 112.2 | H34 H40 Y234 R237 V238 C241 T261 Y373 | H34-Y43 PolarHBondContact CE1-OH 3.23Å; H40-Y43 VanDerWaalsContact CA-CD1 3.45Å; H40-Y43 HydrophobicContact CB-CD1 3.77Å; H40-Y43 HydrophobicContact CB-CE1 3.01Å; H40-Y43 HydrophobicContact CB-CE2 4.09Å; H40-Y43 VanDerWaalsContact CB-OH 3.24Å; H40-Y43 WeakPolarHBondContact CB-OH 3.5Å; H40-Y43 AromaticContact CG-CD1 4Å; H40-Y43 AromaticContact CG-CE1 3Å; H40-Y43 AromaticContact CG-CZ 3.4Å; H40-Y43 VanDerWaalsContact CG-CZ 3.4Å; H40-Y43 VanDerWaalsContact CG-OH 3.26Å; H40-Y43 AromaticContact ND1-CE1 2.98Å; H40-Y43 WeakPolarHBondContact ND1-CE1 3.43Å; H40-Y43 AromaticContact ND1-CZ 3.17Å; H40-Y43 PolarHBondContact ND1-OH 2.81Å; H40-Y43 WeakPolarHBondContact O-CE2 3.49Å; Y43-Y234 WeakPolarHBondContact CD1-OH 3.49Å; Y43-Y234 HydrophobicContact CE1-CE2 4.43Å; Y43-Y234 AromaticContact CE1-CZ 3.95Å; Y43-R237 PolarHBondContact OH-O 2.79Å; Y43-V238 HydrophobicContact CD1-CG2 3.89Å; Y43-V238 HydrophobicContact CD2-CG1 4.44Å; Y43-V238 HydrophobicContact CE1-CB 4.23Å; Y43-V238 HydrophobicContact CE1-CG2 3.29Å; Y43-V238 HydrophobicContact CE2-CB 4.39Å; Y43-V238 HydrophobicContact CE2-CG1 4.37Å; Y43-V238 HydrophobicContact CE2-CG2 4.28Å; Y43-V238 WeakPolarHBondContact OH-CA 3.07Å; Y43-V238 PolarHBondContact OH-N 2.93Å; Y43-C241 HydrophobicContact CE2-CB 3.93Å; Y43-C241 PolarHBondContact OH-SG 3.39Å; Y43-T261 VanDerWaalsContact O-CG2 3.24Å; Y43-T261 WeakPolarHBondContact O-CG2 3.26Å; Y43-Y373 PolarHBondContact OH-OH 3.46Å |
| 44 | N | 91.2 | Very high | 75.4 | Confident | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 1.2 | 167.5 | -83.2 | -63.7 | 0 | 0 | 0 | 112.2 | H40 V41 D42 Y46 C241 T261 L262 R263 V325 | H40-N44 WeakPolarHBondContact O-CB 3.13Å; H40-N44 PolarHBondContact O-N 3.04Å; H40-N44 PolarHBondContact O-ND2 3.11Å; V41-N44 CarbonylContact O-C 3.55Å; V41-N44 VanDerWaalsContact O-C 3.27Å; V41-N44 WeakPolarHBondContact O-CA 3.43Å; V41-N44 WeakPolarHBondContact O-CB 3.21Å; V41-N44 PolarHBondContact O-N 3.24Å; V41-N44 VanDerWaalsContact O-N 3.12Å; D42-N44 PolarHBondContact O-N 3.37Å; N44-Y46 HydrophobicContact CB-CD2 4.22Å; N44-C241 PolarHBondContact ND2-SG 2.77Å; N44-C241 WeakPolarHBondContact OD1-CB 3.27Å; N44-T261 WeakPolarHBondContact O-CB 3.28Å; N44-T261 PolarHBondContact O-OG1 3.25Å; N44-L262 HydrophobicContact CB-CB 4.4Å; N44-L262 WeakPolarHBondContact OD1-CD1 3.48Å; N44-L262 WeakPolarHBondContact OD1-CG 3.04Å; N44-R263 WeakPolarHBondContact O-CB 3.35Å; N44-R263 PolarHBondContact O-N 2.86Å; N44-R263 VanDerWaalsContact O-N 3.1Å; N44-V325 HydrophobicContact CB-CG1 3.8Å; N44-V325 WeakPolarHBondContact ND2-CG2 3.46Å |
| 45 | G | 90 | Very high | 77.6 | Confident | 11 Ų | 11 | 10.6 Ų | 10.6 | 11% | 0.113 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89 | -4.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V41 D42 R263 | V41-G45 PolarHBondContact O-N 2.86Å; D42-G45 WeakPolarHBondContact O-CA 3.3Å; D42-G45 PolarHBondContact O-N 3.16Å; G45-R263 WeakPolarHBondContact O-CD 3.41Å; G45-R263 PolarHBondContact O-NH1 3.45Å |
| 46 | Y | 93.7 | Very high | 80.4 | Confident | 7 Ų | 7 | 10.6 Ų | 10.6 | 3% | 0.027 | 5% | 0.053 | C | C | . | . | trans | -86.4 | 153.5 | -173.2 | -75.6 | -68.3 | 0 | 0 | 0 | 114 | V41 N44 F200 L262 R263 Q266 L273 V325 Y326 S329 | V41-Y46 PolarHBondContact O-N 2.8Å; N44-Y46 HydrophobicContact CB-CD2 4.22Å; Y46-F200 VanDerWaalsContact O-CD2 3.25Å; Y46-F200 WeakPolarHBondContact O-CD2 3.27Å; Y46-F200 VanDerWaalsContact O-CE2 3.26Å; Y46-F200 WeakPolarHBondContact O-CE2 3.3Å; Y46-L262 HydrophobicContact CE2-CB 4.28Å; Y46-R263 HydrophobicContact CD1-CB 4.48Å; Y46-R263 HydrophobicContact CD2-CB 4.21Å; Y46-R263 HydrophobicContact CE1-CB 4.12Å; Y46-R263 HydrophobicContact CE1-CG 4.16Å; Y46-R263 HydrophobicContact CE2-CB 3.83Å; Y46-R263 WeakPolarHBondContact OH-CA 3.45Å; Y46-Q266 WeakPolarHBondContact OH-CB 3.42Å; Y46-Q266 PolarHBondContact OH-OE1 3.05Å; Y46-L273 HydrophobicContact CE1-CD1 3.79Å; Y46-V325 HydrophobicContact CD2-CG1 3.82Å; Y46-V325 HydrophobicContact CE2-CG1 4.06Å; Y46-Y326 AromaticContact CE2-CD1 3.97Å; Y46-Y326 HydrophobicContact CE2-CD1 3.97Å; Y46-Y326 AromaticContact CE2-CE1 3.95Å; Y46-Y326 HydrophobicContact CE2-CE1 3.95Å; Y46-Y326 AromaticContact CZ-CD1 3.92Å; Y46-Y326 AromaticContact CZ-CE1 3.9Å; Y46-Y326 WeakPolarHBondContact OH-CD1 3.25Å; Y46-Y326 WeakPolarHBondContact OH-CE1 3.33Å; Y46-S329 WeakPolarHBondContact CD1-OG 3.47Å | ||
| 47 | P | 92.8 | Very high | 83.1 | Confident | 11 Ų | 11 | 10.8 Ų | 10.8 | 7% | 0.071 | 5% | 0.054 | C | C | . | . | trans | -68.6 | 155 | 178.7 | -18.2 | 32 | 0 | 0 | 0 | 113.3 | L197 V198 E199 | P47-L197 HydrophobicContact CB-CD1 3.78Å; P47-L197 HydrophobicContact CB-CG 4.22Å; P47-V198 CarbonylContact C-O 3.55Å; P47-V198 WeakPolarHBondContact CA-O 3.32Å; P47-V198 WeakPolarHBondContact CB-O 3.34Å; P47-E199 HydrophobicContact CB-CG 3.93Å; P47-E199 HydrophobicContact CG-CG 3.96Å | ||
| 48 | T | 93.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | B | Isolated β-bridge | trans | -133.5 | 163.6 | 179.5 | 66 | 0 | 0 | 0 | 0 | 111.6 | E39 V41 D42 P50 M182 L197 V198 F200 | E39-T48 HydrophobicContact CB-CG2 4.36Å; E39-T48 WeakPolarHBondContact OE2-CB 3.32Å; E39-T48 WeakPolarHBondContact OE2-CG2 3.43Å; E39-T48 PolarHBondContact OE2-OG1 3.08Å; V41-T48 HydrophobicContact CG2-CG2 3.25Å; D42-T48 HydrophobicContact CB-CG2 4.18Å; T48-P50 VanDerWaalsContact C-CD 3.41Å; T48-M182 VanDerWaalsContact OG1-CG 3.3Å; T48-M182 WeakPolarHBondContact OG1-CG 3.12Å; T48-L197 CarbonylContact O-C 3.3Å; T48-L197 VanDerWaalsContact O-CA 3.32Å; T48-L197 WeakPolarHBondContact O-CA 3.35Å; T48-V198 PolarHBondContact N-O 3.2Å; T48-V198 PolarHBondContact O-N 3.16Å; T48-F200 HydrophobicContact CG2-CE2 4.1Å |
| 49 | L | 94.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 67.2 | -172.9 | -164.3 | 73.4 | 0 | 0 | 0 | 114 | N29 L30 M31 A195 M196 L197 V208 V332 F335 | N29-L49 PolarHBondContact OD1-O 3.48Å; N29-L49 VanDerWaalsContact OD1-O 3.05Å; L30-L49 VanDerWaalsContact CB-O 3.29Å; L30-L49 WeakPolarHBondContact CB-O 3.17Å; L30-L49 PolarHBondContact N-O 2.95Å; L30-L49 VanDerWaalsContact N-O 3.08Å; M31-L49 HydrophobicContact CB-CB 4.27Å; M31-L49 PolarHBondContact O-N 2.94Å; L49-A195 HydrophobicContact CD1-CB 4.22Å; L49-A195 HydrophobicContact CG-CB 4.21Å; L49-M196 WeakPolarHBondContact CA-O 3.41Å; L49-L197 HydrophobicContact CD1-CB 4.13Å; L49-L197 HydrophobicContact CD1-CD1 4.35Å; L49-V208 HydrophobicContact CD1-CB 3.98Å; L49-V208 HydrophobicContact CD1-CG1 4.34Å; L49-V208 HydrophobicContact CD1-CG2 3.55Å; L49-V332 HydrophobicContact CB-CG1 4.31Å; L49-F335 HydrophobicContact CD2-CB 4.07Å; L49-F335 HydrophobicContact CD2-CD1 3.16Å; L49-F335 HydrophobicContact CD2-CE1 3.7Å; L49-F335 HydrophobicContact CD2-CG 3.77Å |
| 50 | P | 95.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 165.3 | 177.3 | 36.3 | -43.2 | 0 | 0 | 0 | 115 | V28 T48 M182 I186 M196 V198 | V28-P50 WeakPolarHBondContact O-CA 3.42Å; T48-P50 VanDerWaalsContact C-CD 3.41Å; P50-M182 HydrophobicContact CB-CG 4.34Å; P50-M182 HydrophobicContact CB-SD 3.51Å; P50-M182 VanDerWaalsContact CB-SD 3.51Å; P50-M182 HydrophobicContact CG-CG 3.73Å; P50-M182 HydrophobicContact CG-SD 3.53Å; P50-M182 VanDerWaalsContact CG-SD 3.53Å; P50-I186 HydrophobicContact CB-CB 4.26Å; P50-I186 HydrophobicContact CB-CD1 4.43Å; P50-I186 HydrophobicContact CB-CG1 4.01Å; P50-I186 HydrophobicContact CB-CG2 4.31Å; P50-I186 HydrophobicContact CG-CB 3.85Å; P50-I186 HydrophobicContact CG-CD1 3.98Å; P50-I186 HydrophobicContact CG-CG1 3.88Å; P50-I186 HydrophobicContact CG-CG2 4.3Å; P50-M196 VanDerWaalsContact CD-O 3.28Å; P50-M196 WeakPolarHBondContact CD-O 3.4Å; P50-M196 PolarHBondContact O-N 3.47Å; P50-V198 HydrophobicContact CG-CG2 3.74Å |
| 51 | I | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 141.5 | 164.9 | 55.6 | 171 | 0 | 0 | 0 | 109.6 | R27 V28 L30 A195 F216 C446 P448 | R27-I51 VanDerWaalsContact CA-O 3.22Å; R27-I51 WeakPolarHBondContact CA-O 3.37Å; R27-I51 VanDerWaalsContact CB-O 3.26Å; R27-I51 WeakPolarHBondContact CB-O 3.33Å; V28-I51 HydrophobicContact CB-CG1 4.08Å; V28-I51 PolarHBondContact N-O 2.92Å; V28-I51 PolarHBondContact O-N 3.4Å; L30-I51 HydrophobicContact CD1-CG2 3.78Å; L30-I51 HydrophobicContact CD2-CD1 4Å; L30-I51 HydrophobicContact CD2-CG1 4.14Å; L30-I51 HydrophobicContact CG-CG1 4.32Å; L30-I51 HydrophobicContact CG-CG2 4.27Å; I51-A195 HydrophobicContact CG2-CB 3.56Å; I51-F216 HydrophobicContact CD1-CD2 4.03Å; I51-C446 WeakPolarHBondContact CD1-SG 3.22Å; I51-P448 HydrophobicContact CB-CB 4.18Å; I51-P448 HydrophobicContact CB-CG 4.41Å; I51-P448 HydrophobicContact CG2-CB 3.94Å; I51-P448 HydrophobicContact CG2-CG 3.85Å |
| 52 | A | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 145.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P25 G26 I186 A190 S449 | P25-A52 HydrophobicContact CB-CB 4.07Å; P25-A52 HydrophobicContact CG-CB 3.87Å; G26-A52 WeakPolarHBondContact O-CA 3.39Å; A52-I186 HydrophobicContact CB-CG1 4.27Å; A52-A190 HydrophobicContact CB-CB 3.4Å; A52-A190 VanDerWaalsContact CB-CB 3.4Å; A52-S449 WeakPolarHBondContact O-CB 3.24Å; A52-S449 PolarHBondContact O-N 3.08Å |
| 53 | I | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 171 | 179.9 | 71.1 | -175.2 | 0 | 0 | 0 | 112.2 | R23 P25 G26 V28 Q55 L132 F444 C446 S449 | R23-I53 PolarHBondContact NH2-O 3.37Å; P25-I53 WeakPolarHBondContact CB-O 3.45Å; G26-I53 PolarHBondContact O-N 2.91Å; V28-I53 HydrophobicContact CB-CG2 4.12Å; V28-I53 HydrophobicContact CG2-CG2 3.58Å; I53-Q55 HydrophobicContact CD1-CB 3.96Å; I53-Q55 HydrophobicContact CG1-CB 4.06Å; I53-L132 HydrophobicContact CD1-CB 4.14Å; I53-L132 HydrophobicContact CD1-CD1 4.25Å; I53-L132 HydrophobicContact CD1-CD2 4.39Å; I53-L132 HydrophobicContact CD1-CG 4.5Å; I53-F444 HydrophobicContact CD1-CZ 4.24Å; I53-C446 WeakPolarHBondContact CG2-SG 3.35Å; I53-S449 VanDerWaalsContact O-CB 3.25Å; I53-S449 WeakPolarHBondContact O-CB 3.37Å; I53-S449 PolarHBondContact O-OG 3.36Å |
| 54 | Q | 93.8 | Very high | 94.2 | Very high | 73 Ų | 73 | 12.7 Ų | 12.7 | 34% | 0.341 | 6% | 0.064 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | -40.5 | 179 | -69.6 | 72.2 | 13 | 0 | 0 | 111.2 | R23 A447 | R23-Q54 PolarHBondContact NH2-O 2.89Å; Q54-A447 PolarHBondContact NE2-O 3.12Å |
| 55 | Q | 94.5 | Very high | 94.1 | Very high | 36 Ų | 36 | 17.6 Ų | 17.6 | 17% | 0.168 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 135.3 | 177.5 | -65.3 | 74.1 | 12.3 | 0 | 0 | 109.9 | P25 G26 I53 S125 I126 | P25-Q55 WeakPolarHBondContact CA-O 3.05Å; G26-Q55 PolarHBondContact N-O 2.87Å; I53-Q55 HydrophobicContact CD1-CB 3.96Å; I53-Q55 HydrophobicContact CG1-CB 4.06Å; Q55-S125 WeakPolarHBondContact CA-OG 3.4Å; Q55-S125 WeakPolarHBondContact CB-O 3.44Å; Q55-S125 VanDerWaalsContact CG-O 3.24Å; Q55-S125 WeakPolarHBondContact CG-O 3.45Å; Q55-I126 HydrophobicContact CB-CB 4.38Å; Q55-I126 HydrophobicContact CB-CG1 3.87Å |
| 56 | A | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 157 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R23 C24 Y58 G124 S125 | R23-A56 HydrophobicContact CG-CB 3.63Å; C24-A56 CarbonylContact O-C 3.49Å; C24-A56 WeakPolarHBondContact O-CA 3.38Å; C24-A56 VanDerWaalsContact O-CB 3.3Å; C24-A56 WeakPolarHBondContact O-CB 3.23Å; A56-Y58 HydrophobicContact CB-CD2 4.34Å; A56-Y58 HydrophobicContact CB-CE2 3.74Å; A56-Y58 WeakPolarHBondContact O-CD2 3.24Å; A56-G124 WeakPolarHBondContact O-CA 3.32Å; A56-S125 PolarHBondContact N-OG 3.46Å; A56-S125 VanDerWaalsContact N-OG 3.11Å; A56-S125 PolarHBondContact O-N 2.8Å; A56-S125 PolarHBondContact O-OG 2.9Å |
| 57 | I | 95.2 | Very high | 93.6 | Very high | 17 Ų | 17 | 27.3 Ų | 27.3 | 9% | 0.087 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 139.1 | 158.8 | -58.4 | -54.6 | 0 | 0 | 0 | 108.2 | R23 C24 V122 I126 A137 L138 C141 | R23-I57 CarbonylContact C-O 3.52Å; R23-I57 WeakPolarHBondContact CA-O 3.49Å; C24-I57 PolarHBondContact N-O 3.03Å; C24-I57 PolarHBondContact O-N 3.19Å; I57-V122 HydrophobicContact CG2-CG1 3.76Å; I57-I126 HydrophobicContact CD1-CD1 4.2Å; I57-I126 HydrophobicContact CG1-CD1 3.98Å; I57-A137 HydrophobicContact CB-CB 4.32Å; I57-A137 HydrophobicContact CG1-CB 3.73Å; I57-L138 HydrophobicContact CG2-CD1 4.2Å; I57-C141 HydrophobicContact CG2-CB 4Å |
| 58 | Y | 96.3 | Very high | 93.1 | Very high | 27 Ų | 27 | 27.8 Ų | 27.8 | 11% | 0.106 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.3 | 177.2 | -64.9 | -96.4 | 0 | 0 | 0 | 108.8 | M2 E3 V22 R23 A56 V122 G123 | M2-Y58 HydrophobicContact CB-CD2 4.07Å; M2-Y58 HydrophobicContact CB-CE2 3.99Å; M2-Y58 HydrophobicContact CG-CD2 3.64Å; M2-Y58 HydrophobicContact CG-CE2 4.04Å; M2-Y58 HydrophobicContact CG-CG 4.45Å; E3-Y58 HydrophobicContact CB-CD1 4.04Å; E3-Y58 HydrophobicContact CB-CE1 3.85Å; E3-Y58 HydrophobicContact CG-CD1 4.49Å; E3-Y58 HydrophobicContact CG-CE1 4.45Å; V22-Y58 CarbonylContact O-C 3.6Å; V22-Y58 VanDerWaalsContact O-CA 3.22Å; V22-Y58 WeakPolarHBondContact O-CA 3.37Å; R23-Y58 HydrophobicContact CB-CD1 4.08Å; R23-Y58 HydrophobicContact CB-CE1 4.01Å; R23-Y58 HydrophobicContact CG-CD1 4.12Å; R23-Y58 HydrophobicContact CG-CE1 3.67Å; A56-Y58 HydrophobicContact CB-CD2 4.34Å; A56-Y58 HydrophobicContact CB-CE2 3.74Å; A56-Y58 WeakPolarHBondContact O-CD2 3.24Å; Y58-V122 WeakPolarHBondContact O-CA 3.42Å; Y58-G123 PolarHBondContact N-O 3.06Å; Y58-G123 PolarHBondContact O-N 3.22Å |
| 59 | A | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 122.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110 | L21 V22 V61 I121 V122 C141 | L21-A59 WeakPolarHBondContact CA-O 3.49Å; V22-A59 HydrophobicContact CB-CB 4.31Å; V22-A59 PolarHBondContact N-O 2.9Å; V22-A59 PolarHBondContact O-N 3.2Å; A59-V61 HydrophobicContact CB-CG2 4.11Å; A59-I121 VanDerWaalsContact CA-O 3.3Å; A59-I121 WeakPolarHBondContact CA-O 3.43Å; A59-V122 HydrophobicContact CB-CG2 4.21Å; A59-C141 WeakPolarHBondContact CB-SG 3.46Å |
| 60 | A | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 132.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | V6 F10 P18 Y20 S120 I121 | V6-A60 HydrophobicContact CG1-CB 3.62Å; F10-A60 HydrophobicContact CB-CB 3.92Å; F10-A60 HydrophobicContact CD2-CB 3.8Å; F10-A60 HydrophobicContact CG-CB 4.01Å; P18-A60 HydrophobicContact CB-CB 3.8Å; P18-A60 HydrophobicContact CG-CB 3.97Å; Y20-A60 WeakPolarHBondContact O-CA 3.34Å; A60-S120 WeakPolarHBondContact O-CA 3.29Å; A60-S120 WeakPolarHBondContact O-CB 3.17Å; A60-S120 PolarHBondContact O-OG 3.49Å; A60-I121 PolarHBondContact N-O 2.83Å; A60-I121 PolarHBondContact O-N 3.32Å |
| 61 | V | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 133.6 | -171.2 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | E19 Y20 A59 F118 Q119 S145 | E19-V61 PolarHBondContact N-O 3.41Å; Y20-V61 PolarHBondContact N-O 3.25Å; Y20-V61 PolarHBondContact O-N 3.41Å; A59-V61 HydrophobicContact CB-CG2 4.11Å; V61-F118 HydrophobicContact CG1-CB 3.71Å; V61-F118 HydrophobicContact CG1-CD2 3.86Å; V61-F118 HydrophobicContact CG1-CG 3.89Å; V61-Q119 WeakPolarHBondContact CA-O 3.08Å; V61-S145 WeakPolarHBondContact CG2-OG 3.36Å |
| 62 | F | 94.9 | Very high | 91.9 | Very high | 36 Ų | 36 | 32.5 Ų | 32.5 | 16% | 0.158 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128.1 | 167.8 | -179.5 | -86 | 0 | 0 | 0 | 108.4 | F10 R16 E19 F118 Q119 | F10-F62 HydrophobicContact CE1-CB 4.02Å; F10-F62 HydrophobicContact CE2-CB 4.17Å; F10-F62 HydrophobicContact CZ-CB 3.33Å; F10-F62 HydrophobicContact CZ-CG 4.39Å; R16-F62 HydrophobicContact CG-CD2 4.15Å; R16-F62 HydrophobicContact CG-CE2 4.37Å; E19-F62 HydrophobicContact CG-CD2 3.73Å; E19-F62 HydrophobicContact CG-CE2 4.1Å; E19-F62 HydrophobicContact CG-CG 4.48Å; F62-F118 VanDerWaalsContact O-CA 3.25Å; F62-F118 WeakPolarHBondContact O-CA 2.84Å; F62-F118 VanDerWaalsContact O-CB 3.27Å; F62-F118 WeakPolarHBondContact O-CB 3.15Å; F62-Q119 PolarHBondContact N-O 2.76Å; F62-Q119 PolarHBondContact O-N 3.3Å |
| 63 | V | 92.8 | Very high | 91.7 | Very high | 12 Ų | 12 | 34.8 Ų | 34.8 | 7% | 0.073 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 126.8 | -177.7 | -176 | 0 | 0 | 0 | 0 | 109.5 | E19 Y20 T65 R116 A149 | E19-V63 PolarHBondContact OE2-N 2.95Å; Y20-V63 HydrophobicContact CD2-CG2 4.05Å; Y20-V63 HydrophobicContact CE2-CG2 3.75Å; V63-T65 HydrophobicContact CG1-CG2 4.43Å; V63-R116 HydrophobicContact CG1-CB 4.46Å; V63-A149 HydrophobicContact CG1-CB 4.19Å; V63-A149 HydrophobicContact CG2-CB 4.19Å |
| 64 | D | 90.4 | Very high | 91.6 | Very high | 37 Ų | 37 | 36.7 Ų | 36.7 | 20% | 0.198 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 117.8 | 168.9 | -170.9 | -13.9 | 0 | 0 | 0 | 108.6 | E66 T67 R116 G117 | D64-E66 PolarHBondContact OD1-N 3.17Å; D64-T67 PolarHBondContact OD1-N 3.1Å; D64-T67 PolarHBondContact OD2-OG1 2.59Å; D64-R116 WeakPolarHBondContact O-CA 3.24Å; D64-G117 PolarHBondContact N-O 3.45Å; D64-G117 PolarHBondContact O-N 2.96Å |
| 65 | T | 88.4 | Confident | 91.6 | Very high | 103 Ų | 103 | 35.1 Ų | 35.1 | 63% | 0.632 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -93.1 | -6.3 | 180 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | V63 | V63-T65 HydrophobicContact CG1-CG2 4.43Š|
| 66 | E | 86.9 | Confident | 91.3 | Very high | 173 Ų | 173 | 36.2 Ų | 36.2 | 81% | 0.808 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -99.6 | -28.8 | -177.2 | -61.2 | -176.5 | -179.5 | 0 | 0 | 112.3 | D64 | D64-E66 PolarHBondContact OD1-N 3.17Š|
| 67 | T | 85.3 | Confident | 90.9 | Very high | 49 Ų | 49 | 42 Ų | 42 | 30% | 0.301 | 23% | 0.231 | S | C | . | . | trans | -134.3 | 156.4 | -177.2 | 78.1 | 0 | 0 | 0 | 0 | 111.8 | D64 D69 E115 R116 G117 | D64-T67 PolarHBondContact OD1-N 3.1Å; D64-T67 PolarHBondContact OD2-OG1 2.59Å; T67-D69 PolarHBondContact O-N 3.05Å; T67-D69 WeakPolarHBondContact OG1-CB 3.4Å; T67-D69 PolarHBondContact OG1-N 3.19Å; T67-E115 CarbonylContact C-O 3.57Å; T67-R116 CarbonylContact O-C 3.45Å; T67-G117 VanDerWaalsContact O-CA 3.31Å; T67-G117 WeakPolarHBondContact O-CA 3.36Å; T67-G117 PolarHBondContact O-N 3.07Å | ||
| 68 | A | 84.2 | Confident | 90.3 | Very high | 20 Ų | 20 | 47.9 Ų | 47.9 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | trans | -87 | 11.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R101 V114 | A68-R101 PolarHBondContact O-NH2 3.1Å; A68-V114 HydrophobicContact CB-CG1 4.27Å; A68-V114 VanDerWaalsContact CB-O 3.27Å; A68-V114 WeakPolarHBondContact CB-O 3.47Å | ||
| 69 | D | 86.2 | Confident | 89.7 | Confident | 47 Ų | 47 | 50.4 Ų | 50.4 | 25% | 0.251 | 27% | 0.27 | S | S | . | . | trans | -75.6 | 152 | -171.6 | -70 | -0.3 | 0 | 0 | 0 | 111 | T67 F84 Q85 G86 G117 F118 | T67-D69 PolarHBondContact O-N 3.05Å; T67-D69 WeakPolarHBondContact OG1-CB 3.4Å; T67-D69 PolarHBondContact OG1-N 3.19Å; D69-F84 WeakPolarHBondContact CA-O 3.46Å; D69-Q85 WeakPolarHBondContact OD1-CA 3.38Å; D69-Q85 PolarHBondContact OD2-NE2 3.47Å; D69-G86 PolarHBondContact OD1-N 2.97Å; D69-G117 CarbonylContact O-C 3.56Å; D69-G117 WeakPolarHBondContact O-CA 2.91Å; D69-F118 PolarHBondContact O-N 2.97Å | ||
| 70 | L | 86.2 | Confident | 89 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 133.1 | 171.6 | -60.2 | -177.3 | 0 | 0 | 0 | 110.2 | V72 Y82 M83 F84 R101 F118 | L70-V72 HydrophobicContact CB-CG2 4.33Å; L70-Y82 HydrophobicContact CB-CE1 4.41Å; L70-Y82 HydrophobicContact CD1-CE1 3.92Å; L70-M83 WeakPolarHBondContact O-CA 3.33Å; L70-F84 HydrophobicContact CB-CB 4.28Å; L70-F84 PolarHBondContact N-O 3.04Å; L70-F84 PolarHBondContact O-N 2.87Å; L70-R101 VanDerWaalsContact CD1-CD 3.41Å; L70-F118 HydrophobicContact CD2-CD1 3.49Å; L70-F118 VanDerWaalsContact CD2-CD1 3.49Å; L70-F118 HydrophobicContact CD2-CD2 4.29Å; L70-F118 HydrophobicContact CD2-CE1 3.35Å; L70-F118 HydrophobicContact CD2-CE2 4.17Å; L70-F118 HydrophobicContact CD2-CG 3.99Å; L70-F118 HydrophobicContact CD2-CZ 3.73Å |
| 71 | D | 90.1 | Very high | 88.4 | Confident | 38 Ų | 38 | 58 Ų | 58 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 94.4 | 171.7 | -166.7 | -3.6 | 0 | 0 | 0 | 109.5 | F14 H73 F118 Q119 S120 | F14-D71 HydrophobicContact CE1-CB 4.45Å; F14-D71 WeakPolarHBondContact CE1-OD2 3.1Å; D71-H73 IonicContact OD1-CD2 3.08Å; D71-H73 PolarHBondContact OD1-CD2 3.12Å; D71-H73 IonicContact OD1-NE2 3.06Å; D71-H73 PolarHBondContact OD1-NE2 2.81Å; D71-F118 PolarHBondContact N-O 2.85Å; D71-Q119 HydrophobicContact CB-CG 4.24Å; D71-Q119 CarbonylContact O-C 3.36Å; D71-Q119 WeakPolarHBondContact O-CA 3.03Å; D71-S120 PolarHBondContact O-N 2.81Å |
| 72 | V | 90.8 | Very high | 87.8 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 111.5 | -172 | -173.7 | 0 | 0 | 0 | 0 | 110.1 | L70 Y82 F97 F118 S120 V122 | L70-V72 HydrophobicContact CB-CG2 4.33Å; V72-Y82 HydrophobicContact CB-CD1 4.32Å; V72-Y82 HydrophobicContact CG2-CD1 4.28Å; V72-Y82 PolarHBondContact N-O 3.44Å; V72-Y82 PolarHBondContact O-N 2.91Å; V72-F97 HydrophobicContact CG1-CD2 4.45Å; V72-F97 HydrophobicContact CG1-CE1 4.45Å; V72-F97 HydrophobicContact CG1-CE2 4.13Å; V72-F97 HydrophobicContact CG1-CZ 4.13Å; V72-F97 HydrophobicContact CG2-CD1 4.28Å; V72-F97 HydrophobicContact CG2-CE1 3.7Å; V72-F97 HydrophobicContact CG2-CZ 3.97Å; V72-F118 HydrophobicContact CG2-CE2 4.01Å; V72-S120 WeakPolarHBondContact CA-O 3.4Å; V72-V122 HydrophobicContact CG1-CG2 3.88Å |
| 73 | H | 92.5 | Very high | 87.2 | Confident | 48 Ų | 48 | 64.9 Ų | 64.9 | 22% | 0.222 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 164.3 | 176.7 | -76 | -117.6 | 0 | 0 | 0 | 110.9 | F14 D71 V81 S120 I121 V122 | F14-H73 AromaticContact CZ-CD2 3.81Å; D71-H73 IonicContact OD1-CD2 3.08Å; D71-H73 PolarHBondContact OD1-CD2 3.12Å; D71-H73 IonicContact OD1-NE2 3.06Å; D71-H73 PolarHBondContact OD1-NE2 2.81Å; H73-V81 WeakPolarHBondContact ND1-CG2 3.44Å; H73-V81 WeakPolarHBondContact NE2-CG1 3.5Å; H73-S120 PolarHBondContact N-O 2.8Å; H73-I121 HydrophobicContact CB-CD1 3.36Å; H73-I121 CarbonylContact O-C 3.43Å; H73-I121 WeakPolarHBondContact O-CA 3.48Å; H73-V122 PolarHBondContact O-N 3.28Å |
| 74 | N | 92.6 | Very high | 86.6 | Confident | 41 Ų | 41 | 65.6 Ų | 65.6 | 22% | 0.219 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 148.1 | 173.7 | -158.1 | -64.5 | 0 | 0 | 0 | 110.8 | D76 F79 V122 | N74-D76 PolarHBondContact O-N 3.25Å; N74-D76 PolarHBondContact OD1-N 2.96Å; N74-F79 HydrophobicContact CB-CB 3.81Å; N74-F79 HydrophobicContact CB-CD2 4.42Å; N74-F79 WeakPolarHBondContact ND2-CD2 3.41Å; N74-V122 CarbonylContact C-O 3.39Å; N74-V122 VanDerWaalsContact CA-O 3.29Å; N74-V122 WeakPolarHBondContact CA-O 3.16Å; N74-V122 PolarHBondContact OD1-O 3.2Å |
| 75 | V | 93.4 | Very high | 85.9 | Confident | 39 Ų | 39 | 71.3 Ų | 71.3 | 24% | 0.236 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -59.9 | -38.9 | 169.4 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | I5 V6 K9 I121 V122 | I5-V75 HydrophobicContact CG2-CG1 3.53Å; I5-V75 HydrophobicContact CG2-CG2 4.29Å; V6-V75 HydrophobicContact CB-CG2 4.43Å; V6-V75 HydrophobicContact CG2-CG2 3.65Å; K9-V75 HydrophobicContact CB-CG2 4.39Å; K9-V75 HydrophobicContact CG-CG2 4.47Å; V75-I121 HydrophobicContact CG2-CG2 3.57Å; V75-V122 PolarHBondContact N-O 3.43Å |
| 76 | D | 88.8 | Confident | 84.7 | Confident | 59 Ų | 59 | 68.4 Ų | 68.4 | 32% | 0.316 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -91.1 | 116.4 | 179.2 | -173.9 | -22.8 | 0 | 0 | 0 | 110.4 | N74 Q78 F79 | N74-D76 PolarHBondContact O-N 3.25Å; N74-D76 PolarHBondContact OD1-N 2.96Å; D76-Q78 PolarHBondContact O-N 3.18Å; D76-Q78 VanDerWaalsContact O-N 3.08Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.34Å; D76-Q78 VanDerWaalsContact OD1-CG 3.23Å; D76-Q78 WeakPolarHBondContact OD1-CG 3.43Å; D76-Q78 PolarHBondContact OD1-N 3.5Å; D76-Q78 PolarHBondContact OD2-NE2 3.26Å; D76-F79 HydrophobicContact CB-CD2 3.92Å; D76-F79 HydrophobicContact CB-CE2 4.12Å; D76-F79 PolarHBondContact O-N 2.89Å; D76-F79 VanDerWaalsContact O-N 3.15Å |
| 77 | P | 86.8 | Confident | 83.5 | Confident | 123 Ų | 123 | 64.6 Ų | 64.6 | 80% | 0.799 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -9.9 | -176 | 29.5 | -36.8 | 0 | 0 | 0 | 113.8 | F79 | P77-F79 PolarHBondContact O-N 3.37Š|
| 78 | Q | 83.6 | Confident | 82 | Confident | 140 Ų | 140 | 63 Ų | 63 | 65% | 0.654 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -23.6 | 173.3 | 82.1 | 179.8 | -54.5 | 0 | 0 | 112.5 | D76 | D76-Q78 PolarHBondContact O-N 3.18Å; D76-Q78 VanDerWaalsContact O-N 3.08Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.34Å; D76-Q78 VanDerWaalsContact OD1-CG 3.23Å; D76-Q78 WeakPolarHBondContact OD1-CG 3.43Å; D76-Q78 PolarHBondContact OD1-N 3.5Å; D76-Q78 PolarHBondContact OD2-NE2 3.26Å |
| 79 | F | 83.5 | Confident | 80.4 | Confident | 80 Ų | 80 | 69.2 Ų | 69.2 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -93.2 | 124.6 | 176.5 | -58.8 | -73.5 | 0 | 0 | 0 | 109.6 | N74 D76 P77 | N74-F79 HydrophobicContact CB-CB 3.81Å; N74-F79 HydrophobicContact CB-CD2 4.42Å; N74-F79 WeakPolarHBondContact ND2-CD2 3.41Å; D76-F79 HydrophobicContact CB-CD2 3.92Å; D76-F79 HydrophobicContact CB-CE2 4.12Å; D76-F79 PolarHBondContact O-N 2.89Å; D76-F79 VanDerWaalsContact O-N 3.15Å; P77-F79 PolarHBondContact O-N 3.37Å |
| 80 | A | 80.5 | Confident | 78.8 | Confident | 93 Ų | 93 | 68.8 Ų | 68.8 | 77% | 0.769 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 145.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y82 | A80-Y82 PolarHBondContact O-N 2.93Š|
| 81 | V | 84.3 | Confident | 76.9 | Confident | 67 Ų | 67 | 77 Ų | 77 | 41% | 0.406 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 134.6 | 169.2 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | H73 M83 | H73-V81 WeakPolarHBondContact ND1-CG2 3.44Å; H73-V81 WeakPolarHBondContact NE2-CG1 3.5Å; V81-M83 HydrophobicContact CG1-CG 4.01Å |
| 82 | Y | 82.1 | Confident | 74.8 | Confident | 43 Ų | 43 | 78.6 Ų | 78.6 | 17% | 0.169 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 106.7 | 175 | 177.3 | -94 | 0 | 0 | 0 | 109 | L70 V72 A80 F84 Q98 | L70-Y82 HydrophobicContact CB-CE1 4.41Å; L70-Y82 HydrophobicContact CD1-CE1 3.92Å; V72-Y82 HydrophobicContact CB-CD1 4.32Å; V72-Y82 HydrophobicContact CG2-CD1 4.28Å; V72-Y82 PolarHBondContact N-O 3.44Å; V72-Y82 PolarHBondContact O-N 2.91Å; A80-Y82 PolarHBondContact O-N 2.93Å; Y82-F84 HydrophobicContact CE1-CB 3.74Å; Y82-F84 WeakPolarHBondContact OH-CB 3.45Å; Y82-Q98 HydrophobicContact CE2-CB 4.21Å; Y82-Q98 WeakPolarHBondContact OH-CB 3.12Å; Y82-Q98 VanDerWaalsContact OH-CD 3.28Å; Y82-Q98 WeakPolarHBondContact OH-CG 3.27Å |
| 83 | M | 82.9 | Confident | 73 | Confident | 137 Ų | 137 | 79.5 Ų | 79.5 | 68% | 0.675 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 137.4 | 171.4 | -68.6 | -178.3 | -73.6 | 0 | 0 | 109.3 | L70 V81 | L70-M83 WeakPolarHBondContact O-CA 3.33Å; V81-M83 HydrophobicContact CG1-CG 4.01Å |
| 84 | F | 78.9 | Confident | 71.2 | Confident | 27 Ų | 27 | 81.7 Ų | 81.7 | 12% | 0.118 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 133.3 | 177.7 | 171.8 | -92.5 | 0 | 0 | 0 | 111 | D69 L70 Y82 G86 C88 | D69-F84 WeakPolarHBondContact CA-O 3.46Å; L70-F84 HydrophobicContact CB-CB 4.28Å; L70-F84 PolarHBondContact N-O 3.04Å; L70-F84 PolarHBondContact O-N 2.87Å; Y82-F84 HydrophobicContact CE1-CB 3.74Å; Y82-F84 WeakPolarHBondContact OH-CB 3.45Å; F84-G86 WeakPolarHBondContact CE1-O 2.93Å; F84-G86 WeakPolarHBondContact CZ-O 3.31Å; F84-C88 HydrophobicContact CE2-CB 3.71Å; F84-C88 HydrophobicContact CZ-CB 3.67Å |
| 85 | Q | 75.9 | Confident | 69.9 | Low | 157 Ų | 157 | 81.3 Ų | 81.3 | 73% | 0.734 | 48% | 0.475 | S | S | * | . | trans | -121.6 | 131.2 | -179.1 | -52.7 | -169.7 | -71.9 | 0 | 0 | 110.3 | D69 | D69-Q85 WeakPolarHBondContact OD1-CA 3.38Å; D69-Q85 PolarHBondContact OD2-NE2 3.47Å | ||
| 86 | G | 64 | Low | 68.6 | Low | 41 Ų | 41 | 80.7 Ų | 80.7 | 42% | 0.423 | 47% | 0.473 | S | S | . | . | S | Bend | trans | 87.2 | -145.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | D69 F84 | D69-G86 PolarHBondContact OD1-N 2.97Å; F84-G86 WeakPolarHBondContact CE1-O 2.93Å; F84-G86 WeakPolarHBondContact CZ-O 3.31Å |
| 87 | S | 60.7 | Low | 67.6 | Low | 93 Ų | 93 | 78.4 Ų | 78.4 | 65% | 0.65 | 46% | 0.46 | S | S | * | . | trans | -114.1 | 135.3 | 179.8 | 58.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 88 | C | 53.6 | Low | 66.8 | Low | 16 Ų | 16 | 73.2 Ų | 73.2 | 11% | 0.108 | 43% | 0.425 | C | S | . | . | trans | -96 | 158.7 | -176.1 | -171.4 | 0 | 0 | 0 | 0 | 111 | F84 Q98 E102 R111 | F84-C88 HydrophobicContact CE2-CB 3.71Å; F84-C88 HydrophobicContact CZ-CB 3.67Å; C88-Q98 PolarHBondContact SG-NE2 3.33Å; C88-E102 HydrophobicContact CB-CG 4.17Å; C88-R111 VanDerWaalsContact O-CZ 3.28Å; C88-R111 PolarHBondContact O-NH2 2.81Å | ||
| 89 | H | 51.1 | Low | 66.1 | Low | 151 Ų | 151 | 66.5 Ų | 66.5 | 70% | 0.699 | 39% | 0.394 | S | S | * | . | trans | -97.9 | 130.4 | 159.3 | -71 | -38.8 | 0 | 0 | 0 | 110.1 | L91 A92 | H89-L91 PolarHBondContact O-N 2.85Å; H89-A92 PolarHBondContact O-N 3.03Å; H89-A92 VanDerWaalsContact O-N 3.12Å | ||
| 90 | L | 52.2 | Low | 65.4 | Low | 38 Ų | 38 | 62.9 Ų | 62.9 | 20% | 0.199 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -48.9 | -21.3 | -178.9 | -97.1 | 141.6 | 0 | 0 | 0 | 115.3 | A92 L93 L103 L106 F174 | L90-A92 VanDerWaalsContact C-N 3.26Å; L90-A92 PolarHBondContact O-N 3.02Å; L90-L93 HydrophobicContact CD2-CD1 3.79Å; L90-L93 WeakPolarHBondContact O-CG 3.44Å; L90-L103 HydrophobicContact CD2-CD2 3.57Å; L90-L103 HydrophobicContact CD2-CG 4.3Å; L90-L106 HydrophobicContact CD1-CD2 3.87Å; L90-F174 HydrophobicContact CD2-CD1 4.01Å; L90-F174 HydrophobicContact CD2-CE1 3.68Å; L90-F174 HydrophobicContact CD2-CZ 4.06Å |
| 91 | L | 46.1 | Very low | 65.1 | Low | 177 Ų | 177 | 58.8 Ų | 58.8 | 93% | 0.927 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -73.5 | -11.7 | -177.8 | -66 | 169.6 | 0 | 0 | 0 | 113.9 | H89 | H89-L91 PolarHBondContact O-N 2.85Š|
| 92 | A | 46.8 | Very low | 64.5 | Low | 71 Ų | 71 | 55.8 Ų | 55.8 | 59% | 0.587 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -126.1 | 39.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H89 L90 A94 | H89-A92 PolarHBondContact O-N 3.03Å; H89-A92 VanDerWaalsContact O-N 3.12Å; L90-A92 VanDerWaalsContact C-N 3.26Å; L90-A92 PolarHBondContact O-N 3.02Å; A92-A94 PolarHBondContact O-N 3.41Å |
| 93 | L | 51.8 | Low | 63.9 | Low | 28 Ų | 28 | 54.2 Ų | 54.2 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | trans | -75.5 | 109.7 | 178.5 | -63.7 | 171 | 0 | 0 | 0 | 110.6 | L90 Q98 S99 E102 F174 | L90-L93 HydrophobicContact CD2-CD1 3.79Å; L90-L93 WeakPolarHBondContact O-CG 3.44Å; L93-Q98 HydrophobicContact CD2-CB 4.25Å; L93-Q98 HydrophobicContact CD2-CG 3.55Å; L93-S99 WeakPolarHBondContact CB-OG 3.34Å; L93-E102 HydrophobicContact CD2-CB 4.03Å; L93-E102 HydrophobicContact CD2-CG 3.8Å; L93-F174 HydrophobicContact CD1-CB 3.95Å; L93-F174 HydrophobicContact CD1-CD1 4.19Å; L93-F174 HydrophobicContact CD1-CG 4.18Å | ||
| 94 | A | 55.9 | Low | 63.3 | Low | 95 Ų | 95 | 47.8 Ų | 47.8 | 79% | 0.785 | 29% | 0.287 | S | S | * | . | trans | -89.4 | -20.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A92 | A92-A94 PolarHBondContact O-N 3.41Š| ||
| 95 | S | 65.6 | Low | 63 | Low | 32 Ų | 32 | 46.6 Ų | 46.6 | 22% | 0.224 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -138 | 154.9 | -175.7 | 77.9 | 0 | 0 | 0 | 0 | 113.3 | F97 Q98 S99 | S95-F97 PolarHBondContact O-N 3.41Å; S95-Q98 PolarHBondContact O-N 2.89Å; S95-Q98 WeakPolarHBondContact OG-CB 3.32Å; S95-Q98 PolarHBondContact OG-N 2.79Å; S95-Q98 VanDerWaalsContact OG-N 3.14Å; S95-S99 PolarHBondContact O-N 3.3Å; S95-S99 PolarHBondContact O-OG 3.03Å |
| 96 | S | 66.7 | Low | 62.9 | Low | 27 Ų | 27 | 43.2 Ų | 43.2 | 19% | 0.189 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.8 | -34 | 172.5 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | A100 | S96-A100 WeakPolarHBondContact O-CB 3.39Å; S96-A100 PolarHBondContact O-N 3.45Å; S96-A100 VanDerWaalsContact O-N 3.09Å |
| 97 | F | 67.7 | Low | 63.3 | Low | 11 Ų | 11 | 44.5 Ų | 44.5 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68 | -45.3 | 179.6 | -158.6 | -79.1 | 0 | 0 | 0 | 111.4 | V72 S95 A100 R101 F118 V122 L138 A142 | V72-F97 HydrophobicContact CG1-CD2 4.45Å; V72-F97 HydrophobicContact CG1-CE1 4.45Å; V72-F97 HydrophobicContact CG1-CE2 4.13Å; V72-F97 HydrophobicContact CG1-CZ 4.13Å; V72-F97 HydrophobicContact CG2-CD1 4.28Å; V72-F97 HydrophobicContact CG2-CE1 3.7Å; V72-F97 HydrophobicContact CG2-CZ 3.97Å; S95-F97 PolarHBondContact O-N 3.41Å; F97-A100 PolarHBondContact O-N 3.49Å; F97-R101 PolarHBondContact O-N 2.73Å; F97-R101 VanDerWaalsContact O-N 3.17Å; F97-F118 AromaticContact CE1-CE2 3.92Å; F97-F118 HydrophobicContact CE1-CE2 3.92Å; F97-F118 AromaticContact CE1-CZ 3.63Å; F97-F118 HydrophobicContact CE1-CZ 3.63Å; F97-F118 AromaticContact CZ-CE2 3.8Å; F97-F118 HydrophobicContact CZ-CE2 3.8Å; F97-F118 AromaticContact CZ-CZ 3.77Å; F97-F118 HydrophobicContact CZ-CZ 3.77Å; F97-V122 HydrophobicContact CE2-CG2 4.2Å; F97-L138 HydrophobicContact CD2-CD1 4.19Å; F97-A142 HydrophobicContact CB-CB 4.23Å; F97-A142 HydrophobicContact CD1-CB 3.91Å; F97-A142 HydrophobicContact CD2-CB 3.34Å; F97-A142 HydrophobicContact CE1-CB 4.03Å; F97-A142 HydrophobicContact CE2-CB 3.48Å; F97-A142 VanDerWaalsContact CE2-CB 3.48Å; F97-A142 HydrophobicContact CG-CB 3.56Å; F97-A142 HydrophobicContact CZ-CB 3.82Å |
| 98 | Q | 69.7 | Low | 63.8 | Low | 13 Ų | 13 | 42.1 Ų | 42.1 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.8 | -44.7 | 176.4 | -170.6 | -175.7 | 14.1 | 0 | 0 | 111.7 | Y82 C88 L93 S95 A100 R101 E102 | Y82-Q98 HydrophobicContact CE2-CB 4.21Å; Y82-Q98 WeakPolarHBondContact OH-CB 3.12Å; Y82-Q98 VanDerWaalsContact OH-CD 3.28Å; Y82-Q98 WeakPolarHBondContact OH-CG 3.27Å; C88-Q98 PolarHBondContact SG-NE2 3.33Å; L93-Q98 HydrophobicContact CD2-CB 4.25Å; L93-Q98 HydrophobicContact CD2-CG 3.55Å; S95-Q98 PolarHBondContact O-N 2.89Å; S95-Q98 WeakPolarHBondContact OG-CB 3.32Å; S95-Q98 PolarHBondContact OG-N 2.79Å; S95-Q98 VanDerWaalsContact OG-N 3.14Å; Q98-A100 VanDerWaalsContact C-N 3.3Å; Q98-A100 PolarHBondContact O-N 2.98Å; Q98-R101 PolarHBondContact O-N 3.4Å; Q98-E102 HydrophobicContact CG-CG 4.32Å; Q98-E102 WeakPolarHBondContact O-CB 3.41Å; Q98-E102 WeakPolarHBondContact O-CG 3.34Å; Q98-E102 PolarHBondContact O-N 3.28Å |
| 99 | S | 67.7 | Low | 64.7 | Low | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 179.8 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | L93 S95 L103 A171 | L93-S99 WeakPolarHBondContact CB-OG 3.34Å; S95-S99 PolarHBondContact O-N 3.3Å; S95-S99 PolarHBondContact O-OG 3.03Å; S99-L103 WeakPolarHBondContact O-CB 3.35Å; S99-L103 PolarHBondContact O-N 3.1Å; S99-L103 VanDerWaalsContact O-N 3.14Å; S99-A171 WeakPolarHBondContact CB-O 3.36Å |
| 100 | A | 68.7 | Low | 65.8 | Low | 3 Ų | 3 | 39.3 Ų | 39.3 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -49.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S96 F97 Q98 F104 V139 A142 A171 | S96-A100 WeakPolarHBondContact O-CB 3.39Å; S96-A100 PolarHBondContact O-N 3.45Å; S96-A100 VanDerWaalsContact O-N 3.09Å; F97-A100 PolarHBondContact O-N 3.49Å; Q98-A100 VanDerWaalsContact C-N 3.3Å; Q98-A100 PolarHBondContact O-N 2.98Å; A100-F104 WeakPolarHBondContact O-CB 3.14Å; A100-F104 PolarHBondContact O-N 2.97Å; A100-V139 HydrophobicContact CB-CG1 3.9Å; A100-A142 HydrophobicContact CB-CB 3.79Å; A100-A171 HydrophobicContact CB-CB 4.34Å |
| 101 | R | 73.9 | Confident | 66.5 | Low | 8 Ų | 8 | 39.7 Ų | 39.7 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.1 | -55.2 | 176.9 | 169.1 | 171.5 | 179.8 | -143.8 | 16.1 | 111.5 | A68 L70 F97 Q98 L103 F104 L105 T146 | A68-R101 PolarHBondContact O-NH2 3.1Å; L70-R101 VanDerWaalsContact CD1-CD 3.41Å; F97-R101 PolarHBondContact O-N 2.73Å; F97-R101 VanDerWaalsContact O-N 3.17Å; Q98-R101 PolarHBondContact O-N 3.4Å; R101-L103 VanDerWaalsContact C-N 3.34Å; R101-L103 PolarHBondContact O-N 3.44Å; R101-F104 PolarHBondContact O-N 3.33Å; R101-F104 VanDerWaalsContact O-N 3.17Å; R101-L105 HydrophobicContact CG-CD1 3.64Å; R101-L105 HydrophobicContact CG-CG 4.1Å; R101-L105 WeakPolarHBondContact O-CB 3.18Å; R101-L105 VanDerWaalsContact O-CG 3.28Å; R101-L105 WeakPolarHBondContact O-CG 3.34Å; R101-L105 PolarHBondContact O-N 3.47Å; R101-T146 HydrophobicContact CB-CG2 4.39Å; R101-T146 HydrophobicContact CG-CG2 3.88Å |
| 102 | E | 72.4 | Confident | 67.7 | Low | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.1 | -40.3 | -171.5 | -72.9 | -66.3 | 141.8 | 0 | 0 | 112.2 | C88 L93 Q98 L106 R111 | C88-E102 HydrophobicContact CB-CG 4.17Å; L93-E102 HydrophobicContact CD2-CB 4.03Å; L93-E102 HydrophobicContact CD2-CG 3.8Å; Q98-E102 HydrophobicContact CG-CG 4.32Å; Q98-E102 WeakPolarHBondContact O-CB 3.41Å; Q98-E102 WeakPolarHBondContact O-CG 3.34Å; Q98-E102 PolarHBondContact O-N 3.28Å; E102-L106 VanDerWaalsContact O-CB 3.3Å; E102-L106 WeakPolarHBondContact O-CB 3.42Å; E102-L106 PolarHBondContact O-N 2.82Å; E102-R111 IonicContact OE2-CZ 3.69Å; E102-R111 IonicContact OE2-NE 3.03Å; E102-R111 PolarHBondContact OE2-NE 3.04Å; E102-R111 IonicContact OE2-NH2 2.75Å; E102-R111 PolarHBondContact OE2-NH2 2.89Å |
| 103 | L | 69.2 | Low | 68.9 | Low | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.9 | -38.1 | 174.5 | -78.1 | -165.2 | 0 | 0 | 0 | 113.3 | L90 S99 R101 L106 H107 R170 A171 F174 | L90-L103 HydrophobicContact CD2-CD2 3.57Å; L90-L103 HydrophobicContact CD2-CG 4.3Å; S99-L103 WeakPolarHBondContact O-CB 3.35Å; S99-L103 PolarHBondContact O-N 3.1Å; S99-L103 VanDerWaalsContact O-N 3.14Å; R101-L103 VanDerWaalsContact C-N 3.34Å; R101-L103 PolarHBondContact O-N 3.44Å; L103-L106 HydrophobicContact CD2-CD2 4.19Å; L103-L106 PolarHBondContact O-N 2.75Å; L103-H107 WeakPolarHBondContact O-CB 3.41Å; L103-H107 PolarHBondContact O-N 3.29Å; L103-R170 HydrophobicContact CD1-CB 3.9Å; L103-A171 HydrophobicContact CB-CB 4.48Å; L103-A171 HydrophobicContact CD1-CB 3.88Å; L103-F174 HydrophobicContact CD1-CD2 3.58Å; L103-F174 HydrophobicContact CD1-CE2 3.35Å; L103-F174 HydrophobicContact CD1-CZ 4.33Å; L103-F174 HydrophobicContact CD2-CD2 4.38Å; L103-F174 HydrophobicContact CD2-CE2 3.72Å; L103-F174 HydrophobicContact CD2-CZ 3.89Å; L103-F174 HydrophobicContact CG-CD2 4.2Å; L103-F174 HydrophobicContact CG-CE2 3.97Å |
| 104 | F | 70.1 | Confident | 70.2 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -46.2 | 175.4 | 172.4 | -99.4 | 0 | 0 | 0 | 111.1 | A100 R101 L106 H107 L108 T146 I147 L151 I159 L164 | A100-F104 WeakPolarHBondContact O-CB 3.14Å; A100-F104 PolarHBondContact O-N 2.97Å; R101-F104 PolarHBondContact O-N 3.33Å; R101-F104 VanDerWaalsContact O-N 3.17Å; F104-L106 VanDerWaalsContact C-N 3.31Å; F104-L106 PolarHBondContact O-N 3.39Å; F104-H107 WeakPolarHBondContact O-CB 3.42Å; F104-H107 PolarHBondContact O-N 3.47Å; F104-L108 HydrophobicContact CD1-CD1 4.36Å; F104-L108 HydrophobicContact CE1-CD1 3.46Å; F104-L108 VanDerWaalsContact CE1-CD1 3.46Å; F104-L108 HydrophobicContact CE1-CG 4.27Å; F104-L108 HydrophobicContact CE2-CD1 3.78Å; F104-L108 HydrophobicContact CE2-CD2 4.44Å; F104-L108 HydrophobicContact CE2-CG 4.01Å; F104-L108 HydrophobicContact CZ-CD1 3.09Å; F104-L108 HydrophobicContact CZ-CD2 4.48Å; F104-L108 HydrophobicContact CZ-CG 3.82Å; F104-L108 PolarHBondContact O-N 3.11Å; F104-L108 VanDerWaalsContact O-N 3.08Å; F104-T146 HydrophobicContact CD1-CG2 3.77Å; F104-T146 HydrophobicContact CE1-CG2 4.19Å; F104-I147 HydrophobicContact CD1-CG1 4.3Å; F104-I147 HydrophobicContact CD2-CD1 4.23Å; F104-I147 HydrophobicContact CD2-CG1 4.09Å; F104-I147 HydrophobicContact CE1-CB 4.44Å; F104-I147 HydrophobicContact CE1-CG1 3.56Å; F104-I147 HydrophobicContact CE2-CD1 3.63Å; F104-I147 HydrophobicContact CE2-CG1 3.32Å; F104-I147 HydrophobicContact CZ-CB 4.14Å; F104-I147 HydrophobicContact CZ-CD1 3.87Å; F104-I147 HydrophobicContact CZ-CG1 3Å; F104-L151 HydrophobicContact CZ-CD1 4.22Å; F104-I159 HydrophobicContact CD2-CD1 4.34Å; F104-I159 HydrophobicContact CE2-CD1 3.88Å; F104-I159 HydrophobicContact CE2-CG2 4.36Å; F104-L164 HydrophobicContact CD2-CD1 4.07Å; F104-L164 HydrophobicContact CE2-CD1 4.35Å |
| 105 | L | 73.6 | Confident | 71.4 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.9 | -37.9 | 175.9 | -67.7 | 178.8 | 0 | 0 | 0 | 112.2 | R101 G109 L110 R111 V114 T146 V150 | R101-L105 HydrophobicContact CG-CD1 3.64Å; R101-L105 HydrophobicContact CG-CG 4.1Å; R101-L105 WeakPolarHBondContact O-CB 3.18Å; R101-L105 VanDerWaalsContact O-CG 3.28Å; R101-L105 WeakPolarHBondContact O-CG 3.34Å; R101-L105 PolarHBondContact O-N 3.47Å; L105-G109 PolarHBondContact O-N 3.36Å; L105-L110 HydrophobicContact CD2-CB 4.36Å; L105-L110 PolarHBondContact O-N 3.43Å; L105-R111 HydrophobicContact CB-CB 4.24Å; L105-R111 PolarHBondContact O-N 2.66Å; L105-V114 HydrophobicContact CD1-CG2 3.62Å; L105-V114 HydrophobicContact CD2-CG2 3.45Å; L105-V114 VanDerWaalsContact CD2-CG2 3.45Å; L105-V114 HydrophobicContact CG-CG2 4.07Å; L105-T146 HydrophobicContact CD2-CG2 4.05Å; L105-T146 HydrophobicContact CG-CG2 4.28Å; L105-V150 HydrophobicContact CD2-CG2 4.17Å |
| 106 | L | 73.1 | Confident | 72.4 | Confident | 87 Ų | 87 | 46.1 Ų | 46.1 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.5 | -45.5 | 173 | -178.3 | 70 | 0 | 0 | 0 | 111.6 | L90 E102 L103 F104 L108 G109 | L90-L106 HydrophobicContact CD1-CD2 3.87Å; E102-L106 VanDerWaalsContact O-CB 3.3Å; E102-L106 WeakPolarHBondContact O-CB 3.42Å; E102-L106 PolarHBondContact O-N 2.82Å; L103-L106 HydrophobicContact CD2-CD2 4.19Å; L103-L106 PolarHBondContact O-N 2.75Å; F104-L106 VanDerWaalsContact C-N 3.31Å; F104-L106 PolarHBondContact O-N 3.39Å; L106-L108 VanDerWaalsContact C-N 3.28Å; L106-L108 PolarHBondContact O-N 3.22Å; L106-G109 PolarHBondContact O-N 2.94Å |
| 107 | H | 73.3 | Confident | 73.4 | Confident | 68 Ų | 68 | 44.9 Ų | 44.9 | 32% | 0.315 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.9 | -40.6 | 179.6 | 178.1 | 85.6 | 0 | 0 | 0 | 112 | L103 F104 G109 E167 | L103-H107 WeakPolarHBondContact O-CB 3.41Å; L103-H107 PolarHBondContact O-N 3.29Å; F104-H107 WeakPolarHBondContact O-CB 3.42Å; F104-H107 PolarHBondContact O-N 3.47Å; H107-G109 VanDerWaalsContact C-N 3.27Å; H107-G109 PolarHBondContact O-N 3.18Å; H107-E167 HydrophobicContact CB-CG 4.01Å; H107-E167 IonicContact CE1-OE1 3.21Å; H107-E167 PolarHBondContact CE1-OE1 3.31Å; H107-E167 VanDerWaalsContact CE1-OE1 3.25Å; H107-E167 VanDerWaalsContact CG-CD 3.47Å; H107-E167 IonicContact CG-OE1 3.63Å; H107-E167 IonicContact CG-OE2 3.01Å; H107-E167 IonicContact ND1-OE1 3.48Å; H107-E167 PolarHBondContact ND1-OE1 3.15Å; H107-E167 IonicContact ND1-OE2 2.63Å |
| 108 | L | 71.4 | Confident | 74.5 | Confident | 43 Ų | 43 | 44.5 Ų | 44.5 | 23% | 0.225 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -5.9 | 176.6 | -64.4 | -172.3 | 0 | 0 | 0 | 114.4 | F104 L106 L110 L151 | F104-L108 HydrophobicContact CD1-CD1 4.36Å; F104-L108 HydrophobicContact CE1-CD1 3.46Å; F104-L108 VanDerWaalsContact CE1-CD1 3.46Å; F104-L108 HydrophobicContact CE1-CG 4.27Å; F104-L108 HydrophobicContact CE2-CD1 3.78Å; F104-L108 HydrophobicContact CE2-CD2 4.44Å; F104-L108 HydrophobicContact CE2-CG 4.01Å; F104-L108 HydrophobicContact CZ-CD1 3.09Å; F104-L108 HydrophobicContact CZ-CD2 4.48Å; F104-L108 HydrophobicContact CZ-CG 3.82Å; F104-L108 PolarHBondContact O-N 3.11Å; F104-L108 VanDerWaalsContact O-N 3.08Å; L106-L108 VanDerWaalsContact C-N 3.28Å; L106-L108 PolarHBondContact O-N 3.22Å; L108-L110 HydrophobicContact CB-CB 4.25Å; L108-L110 HydrophobicContact CB-CD1 3.89Å; L108-L110 HydrophobicContact CB-CG 3.77Å; L108-L110 HydrophobicContact CD1-CD1 3.76Å; L108-L110 PolarHBondContact O-N 2.75Å; L108-L151 HydrophobicContact CD1-CD1 3.73Å; L108-L151 HydrophobicContact CD1-CD2 4.15Å; L108-L151 HydrophobicContact CD1-CG 4.19Å |
| 109 | G | 71.7 | Confident | 75.6 | Confident | 58 Ų | 58 | 45.2 Ų | 45.2 | 60% | 0.598 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 20.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L105 L106 H107 | L105-G109 PolarHBondContact O-N 3.36Å; L106-G109 PolarHBondContact O-N 2.94Å; H107-G109 VanDerWaalsContact C-N 3.27Å; H107-G109 PolarHBondContact O-N 3.18Å |
| 110 | L | 73.3 | Confident | 76.9 | Confident | 50 Ų | 50 | 45.2 Ų | 45.2 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | trans | -97.8 | -4.9 | -176.7 | -66.1 | -178.9 | 0 | 0 | 0 | 113.5 | L105 L108 D112 C113 V114 V150 L151 | L105-L110 HydrophobicContact CD2-CB 4.36Å; L105-L110 PolarHBondContact O-N 3.43Å; L108-L110 HydrophobicContact CB-CB 4.25Å; L108-L110 HydrophobicContact CB-CD1 3.89Å; L108-L110 HydrophobicContact CB-CG 3.77Å; L108-L110 HydrophobicContact CD1-CD1 3.76Å; L108-L110 PolarHBondContact O-N 2.75Å; L110-D112 VanDerWaalsContact C-N 3.25Å; L110-D112 PolarHBondContact O-N 3.27Å; L110-D112 VanDerWaalsContact O-N 3.12Å; L110-C113 CarbonylContact O-C 3.41Å; L110-C113 PolarHBondContact O-N 3.29Å; L110-V114 HydrophobicContact CB-CG2 4.46Å; L110-V114 WeakPolarHBondContact O-CG2 3.35Å; L110-V114 PolarHBondContact O-N 2.97Å; L110-V114 VanDerWaalsContact O-N 3.16Å; L110-V150 HydrophobicContact CD1-CG1 3.67Å; L110-L151 HydrophobicContact CD1-CD2 3.81Å | ||
| 111 | R | 68.8 | Low | 78.2 | Confident | 46 Ų | 46 | 45.1 Ų | 45.1 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | -42.2 | -173.2 | -166.5 | -177.6 | -169.9 | -155.2 | 3.8 | 114.7 | C88 E102 L105 | C88-R111 VanDerWaalsContact O-CZ 3.28Å; C88-R111 PolarHBondContact O-NH2 2.81Å; E102-R111 IonicContact OE2-CZ 3.69Å; E102-R111 IonicContact OE2-NE 3.03Å; E102-R111 PolarHBondContact OE2-NE 3.04Å; E102-R111 IonicContact OE2-NH2 2.75Å; E102-R111 PolarHBondContact OE2-NH2 2.89Å; L105-R111 HydrophobicContact CB-CB 4.24Å; L105-R111 PolarHBondContact O-N 2.66Å |
| 112 | D | 70.9 | Confident | 79.1 | Confident | 143 Ų | 143 | 45 Ų | 45 | 77% | 0.765 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -1.2 | -177.3 | -57 | -38.4 | 0 | 0 | 0 | 113.1 | L110 | L110-D112 VanDerWaalsContact C-N 3.25Å; L110-D112 PolarHBondContact O-N 3.27Å; L110-D112 VanDerWaalsContact O-N 3.12Å |
| 113 | C | 71.9 | Confident | 80.2 | Confident | 91 Ų | 91 | 44.9 Ų | 44.9 | 62% | 0.615 | 24% | 0.239 | S | C | * | . | trans | -121 | 10.2 | -174.2 | -56.6 | 0 | 0 | 0 | 0 | 112.9 | L110 E115 | L110-C113 CarbonylContact O-C 3.41Å; L110-C113 PolarHBondContact O-N 3.29Å; C113-E115 PolarHBondContact O-N 3.18Å | ||
| 114 | V | 78.3 | Confident | 81.3 | Confident | 23 Ų | 23 | 46 Ų | 46 | 14% | 0.139 | 25% | 0.253 | C | S | . | . | trans | -74.8 | 113.5 | 179.7 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | A68 L105 L110 R116 V150 | A68-V114 HydrophobicContact CB-CG1 4.27Å; A68-V114 VanDerWaalsContact CB-O 3.27Å; A68-V114 WeakPolarHBondContact CB-O 3.47Å; L105-V114 HydrophobicContact CD1-CG2 3.62Å; L105-V114 HydrophobicContact CD2-CG2 3.45Å; L105-V114 VanDerWaalsContact CD2-CG2 3.45Å; L105-V114 HydrophobicContact CG-CG2 4.07Å; L110-V114 HydrophobicContact CB-CG2 4.46Å; L110-V114 WeakPolarHBondContact O-CG2 3.35Å; L110-V114 PolarHBondContact O-N 2.97Å; L110-V114 VanDerWaalsContact O-N 3.16Å; V114-R116 WeakPolarHBondContact CG1-O 3.33Å; V114-V150 HydrophobicContact CG1-CG2 4.1Å | ||
| 115 | E | 81.5 | Confident | 82.4 | Confident | 159 Ų | 159 | 48.2 Ų | 48.2 | 74% | 0.743 | 27% | 0.268 | S | S | * | . | trans | -100.8 | -9.3 | 173.8 | -63.1 | 179.1 | 166.8 | 0 | 0 | 112.6 | T67 C113 | T67-E115 CarbonylContact C-O 3.57Å; C113-E115 PolarHBondContact O-N 3.18Å | ||
| 116 | R | 86.1 | Confident | 83.2 | Confident | 122 Ų | 122 | 48.5 Ų | 48.5 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | trans | -117.2 | 131.6 | -173.8 | -60.7 | -175.9 | -171.6 | 176.1 | 2.2 | 112.7 | V63 D64 T67 V114 A149 | V63-R116 HydrophobicContact CG1-CB 4.46Å; D64-R116 WeakPolarHBondContact O-CA 3.24Å; T67-R116 CarbonylContact O-C 3.45Å; V114-R116 WeakPolarHBondContact CG1-O 3.33Å; R116-A149 WeakPolarHBondContact CD-O 3.39Å | ||
| 117 | G | 87.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -169.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | D64 T67 D69 | D64-G117 PolarHBondContact N-O 3.45Å; D64-G117 PolarHBondContact O-N 2.96Å; T67-G117 VanDerWaalsContact O-CA 3.31Å; T67-G117 WeakPolarHBondContact O-CA 3.36Å; T67-G117 PolarHBondContact O-N 3.07Å; D69-G117 CarbonylContact O-C 3.56Å; D69-G117 WeakPolarHBondContact O-CA 2.91Å |
| 118 | F | 91.2 | Very high | 84.1 | Confident | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 151.1 | 170.6 | 60.5 | -94.8 | 0 | 0 | 0 | 113.1 | V61 F62 D69 L70 D71 V72 F97 A149 | V61-F118 HydrophobicContact CG1-CB 3.71Å; V61-F118 HydrophobicContact CG1-CD2 3.86Å; V61-F118 HydrophobicContact CG1-CG 3.89Å; F62-F118 VanDerWaalsContact O-CA 3.25Å; F62-F118 WeakPolarHBondContact O-CA 2.84Å; F62-F118 VanDerWaalsContact O-CB 3.27Å; F62-F118 WeakPolarHBondContact O-CB 3.15Å; D69-F118 PolarHBondContact O-N 2.97Å; L70-F118 HydrophobicContact CD2-CD1 3.49Å; L70-F118 VanDerWaalsContact CD2-CD1 3.49Å; L70-F118 HydrophobicContact CD2-CD2 4.29Å; L70-F118 HydrophobicContact CD2-CE1 3.35Å; L70-F118 HydrophobicContact CD2-CE2 4.17Å; L70-F118 HydrophobicContact CD2-CG 3.99Å; L70-F118 HydrophobicContact CD2-CZ 3.73Å; D71-F118 PolarHBondContact N-O 2.85Å; V72-F118 HydrophobicContact CG2-CE2 4.01Å; F97-F118 AromaticContact CE1-CE2 3.92Å; F97-F118 HydrophobicContact CE1-CE2 3.92Å; F97-F118 AromaticContact CE1-CZ 3.63Å; F97-F118 HydrophobicContact CE1-CZ 3.63Å; F97-F118 AromaticContact CZ-CE2 3.8Å; F97-F118 HydrophobicContact CZ-CE2 3.8Å; F97-F118 AromaticContact CZ-CZ 3.77Å; F97-F118 HydrophobicContact CZ-CZ 3.77Å; F118-A149 HydrophobicContact CB-CB 4.09Å; F118-A149 HydrophobicContact CD1-CB 3.61Å; F118-A149 HydrophobicContact CE1-CB 4.46Å; F118-A149 HydrophobicContact CG-CB 4.25Å |
| 119 | Q | 93.5 | Very high | 84.3 | Confident | 29 Ų | 29 | 44.8 Ų | 44.8 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 137.4 | 165.9 | -57.6 | -172 | -45.2 | 0 | 0 | 108.4 | F10 F14 V61 F62 D71 | F10-Q119 HydrophobicContact CE2-CB 4.31Å; F10-Q119 WeakPolarHBondContact CE2-O 3.43Å; F10-Q119 HydrophobicContact CZ-CB 4.27Å; F14-Q119 HydrophobicContact CD1-CB 4.12Å; F14-Q119 VanDerWaalsContact CD1-CD 3.48Å; F14-Q119 HydrophobicContact CD1-CG 4.23Å; F14-Q119 HydrophobicContact CD2-CB 4.18Å; F14-Q119 HydrophobicContact CE1-CB 3.9Å; F14-Q119 HydrophobicContact CE1-CG 4.11Å; F14-Q119 HydrophobicContact CE2-CB 3.94Å; F14-Q119 HydrophobicContact CG-CB 4.26Å; F14-Q119 HydrophobicContact CZ-CB 3.8Å; F14-Q119 HydrophobicContact CZ-CG 4.47Å; V61-Q119 WeakPolarHBondContact CA-O 3.08Å; F62-Q119 PolarHBondContact N-O 2.76Å; F62-Q119 PolarHBondContact O-N 3.3Å; D71-Q119 HydrophobicContact CB-CG 4.24Å; D71-Q119 CarbonylContact O-C 3.36Å; D71-Q119 WeakPolarHBondContact O-CA 3.03Å |
| 120 | S | 94.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 142.5 | 179 | -173.6 | 0 | 0 | 0 | 0 | 114 | A60 D71 V72 H73 | A60-S120 WeakPolarHBondContact O-CA 3.29Å; A60-S120 WeakPolarHBondContact O-CB 3.17Å; A60-S120 PolarHBondContact O-OG 3.49Å; D71-S120 PolarHBondContact O-N 2.81Å; V72-S120 WeakPolarHBondContact CA-O 3.4Å; H73-S120 PolarHBondContact N-O 2.8Å |
| 121 | I | 95.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 129.3 | 159.4 | -61.4 | -57.9 | 0 | 0 | 0 | 108.8 | V6 K9 F10 T13 F14 A59 A60 H73 V75 | V6-I121 HydrophobicContact CG1-CB 4.31Å; V6-I121 HydrophobicContact CG1-CG2 4.14Å; V6-I121 VanDerWaalsContact CG1-O 3.31Å; V6-I121 WeakPolarHBondContact CG1-O 3.38Å; K9-I121 HydrophobicContact CB-CG2 4.14Å; K9-I121 HydrophobicContact CG-CD1 4.28Å; K9-I121 HydrophobicContact CG-CG1 4.37Å; K9-I121 HydrophobicContact CG-CG2 4.04Å; F10-I121 HydrophobicContact CB-CB 4.27Å; F10-I121 HydrophobicContact CB-CG1 3.74Å; F10-I121 HydrophobicContact CD2-CB 4.3Å; F10-I121 HydrophobicContact CD2-CG1 3.88Å; F10-I121 HydrophobicContact CG-CG1 4.23Å; T13-I121 HydrophobicContact CG2-CD1 4.25Å; F14-I121 HydrophobicContact CE2-CD1 3.88Å; F14-I121 HydrophobicContact CE2-CG1 4.12Å; A59-I121 VanDerWaalsContact CA-O 3.3Å; A59-I121 WeakPolarHBondContact CA-O 3.43Å; A60-I121 PolarHBondContact N-O 2.83Å; A60-I121 PolarHBondContact O-N 3.32Å; H73-I121 HydrophobicContact CB-CD1 3.36Å; H73-I121 CarbonylContact O-C 3.43Å; H73-I121 WeakPolarHBondContact O-CA 3.48Å; V75-I121 HydrophobicContact CG2-CG2 3.57Å |
| 122 | V | 94.3 | Very high | 86.2 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 4% | 0.036 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 139.1 | 173.5 | -177.7 | 0 | 0 | 0 | 0 | 110.6 | I57 Y58 A59 V72 H73 N74 V75 F97 L138 | I57-V122 HydrophobicContact CG2-CG1 3.76Å; Y58-V122 WeakPolarHBondContact O-CA 3.42Å; A59-V122 HydrophobicContact CB-CG2 4.21Å; V72-V122 HydrophobicContact CG1-CG2 3.88Å; H73-V122 PolarHBondContact O-N 3.28Å; N74-V122 CarbonylContact C-O 3.39Å; N74-V122 VanDerWaalsContact CA-O 3.29Å; N74-V122 WeakPolarHBondContact CA-O 3.16Å; N74-V122 PolarHBondContact OD1-O 3.2Å; V75-V122 PolarHBondContact N-O 3.43Å; F97-V122 HydrophobicContact CE2-CG2 4.2Å; V122-L138 HydrophobicContact CG1-CD1 3.76Å |
| 123 | G | 93.9 | Very high | 87.1 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 157.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | Y58 | Y58-G123 PolarHBondContact N-O 3.06Å; Y58-G123 PolarHBondContact O-N 3.22Å |
| 124 | G | 93.4 | Very high | 87.9 | Confident | 32 Ų | 32 | 27.4 Ų | 27.4 | 33% | 0.33 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 142.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | M2 A56 | M2-G124 VanDerWaalsContact CE-O 3.32Å; M2-G124 WeakPolarHBondContact CE-O 3.1Å; A56-G124 WeakPolarHBondContact O-CA 3.32Å |
| 125 | S | 93.3 | Very high | 88.2 | Confident | 48 Ų | 48 | 27.5 Ų | 27.5 | 34% | 0.336 | 15% | 0.154 | S | C | . | . | trans | -104 | 2.5 | 169.5 | 59.1 | 0 | 0 | 0 | 0 | 113.4 | Q55 A56 P127 | Q55-S125 WeakPolarHBondContact CA-OG 3.4Å; Q55-S125 WeakPolarHBondContact CB-O 3.44Å; Q55-S125 VanDerWaalsContact CG-O 3.24Å; Q55-S125 WeakPolarHBondContact CG-O 3.45Å; A56-S125 PolarHBondContact N-OG 3.46Å; A56-S125 VanDerWaalsContact N-OG 3.11Å; A56-S125 PolarHBondContact O-N 2.8Å; A56-S125 PolarHBondContact O-OG 2.9Å; S125-P127 WeakPolarHBondContact O-CD 3.35Å | ||
| 126 | I | 90.9 | Very high | 88.6 | Confident | 8 Ų | 8 | 19.9 Ų | 19.9 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -76.9 | 124 | 175 | -53 | 171.6 | 0 | 0 | 0 | 108.2 | Q55 I57 V128 L132 A137 | Q55-I126 HydrophobicContact CB-CB 4.38Å; Q55-I126 HydrophobicContact CB-CG1 3.87Å; I57-I126 HydrophobicContact CD1-CD1 4.2Å; I57-I126 HydrophobicContact CG1-CD1 3.98Å; I126-V128 PolarHBondContact O-N 2.97Å; I126-L132 HydrophobicContact CG2-CB 3.68Å; I126-A137 HydrophobicContact CD1-CB 3.78Å |
| 127 | P | 85.3 | Confident | 88.8 | Confident | 29 Ų | 29 | 14.1 Ų | 14.1 | 19% | 0.188 | 10% | 0.097 | C | C | . | . | P | Polyproline II helix | trans | -53.8 | 122.5 | 171.5 | -27 | 35 | 0 | 0 | 0 | 111.5 | S125 A130 L132 | S125-P127 WeakPolarHBondContact O-CD 3.35Å; P127-A130 HydrophobicContact CB-CB 3.66Å; P127-A130 WeakPolarHBondContact O-CB 3.32Å; P127-L132 HydrophobicContact CB-CD1 4.41Å; P127-L132 HydrophobicContact CG-CD1 4.06Å |
| 128 | V | 79 | Confident | 89 | Confident | 74 Ų | 74 | 16.5 Ų | 16.5 | 45% | 0.448 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | 136.9 | -176.4 | -179.6 | 0 | 0 | 0 | 0 | 110 | I126 A130 | I126-V128 PolarHBondContact O-N 2.97Å; V128-A130 PolarHBondContact O-N 2.77Å |
| 129 | A | 75.5 | Confident | 88.9 | Confident | 17 Ų | 17 | 16.3 Ų | 16.3 | 14% | 0.14 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 27.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | K224 | A129-K224 HydrophobicContact CB-CG 4.49Š|
| 130 | A | 81.9 | Confident | 88.8 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -98.2 | 6.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | P127 V128 L132 G407 C408 | P127-A130 HydrophobicContact CB-CB 3.66Å; P127-A130 WeakPolarHBondContact O-CB 3.32Å; V128-A130 PolarHBondContact O-N 2.77Å; A130-L132 VanDerWaalsContact C-N 3.3Å; A130-L132 HydrophobicContact CB-CD1 4.2Å; A130-L132 HydrophobicContact CB-CG 4.19Å; A130-L132 PolarHBondContact O-N 3.46Å; A130-G407 WeakPolarHBondContact O-CA 3.33Å; A130-C408 WeakPolarHBondContact O-CB 3.26Å; A130-C408 PolarHBondContact O-N 3.12Å; A130-C408 PolarHBondContact O-SG 2.84Å |
| 131 | G | 82.4 | Confident | 88.8 | Confident | 2 Ų | 2 | 15 Ų | 15 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 75.3 | 16.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G402 | G131-G402 WeakPolarHBondContact O-CA 3.36Š|
| 132 | L | 90.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -101 | 20.5 | -176 | -60.5 | 177.4 | 0 | 0 | 0 | 114 | G26 R27 V28 I53 I126 P127 A130 V218 T401 C408 F444 | G26-L132 VanDerWaalsContact CA-O 3.24Å; G26-L132 WeakPolarHBondContact CA-O 3.33Å; R27-L132 PolarHBondContact N-O 3.09Å; R27-L132 WeakPolarHBondContact O-CA 3.25Å; V28-L132 HydrophobicContact CG2-CD2 3.7Å; I53-L132 HydrophobicContact CD1-CB 4.14Å; I53-L132 HydrophobicContact CD1-CD1 4.25Å; I53-L132 HydrophobicContact CD1-CD2 4.39Å; I53-L132 HydrophobicContact CD1-CG 4.5Å; I126-L132 HydrophobicContact CG2-CB 3.68Å; P127-L132 HydrophobicContact CB-CD1 4.41Å; P127-L132 HydrophobicContact CG-CD1 4.06Å; A130-L132 VanDerWaalsContact C-N 3.3Å; A130-L132 HydrophobicContact CB-CD1 4.2Å; A130-L132 HydrophobicContact CB-CG 4.19Å; A130-L132 PolarHBondContact O-N 3.46Å; L132-V218 HydrophobicContact CD1-CG1 4.31Å; L132-V218 HydrophobicContact CD2-CG1 3.97Å; L132-T401 HydrophobicContact CD2-CG2 4.19Å; L132-C408 HydrophobicContact CD2-CB 4.4Å; L132-F444 HydrophobicContact CD1-CE1 4.02Å; L132-F444 HydrophobicContact CD1-CZ 3.84Å |
| 133 | S | 89.6 | Confident | 88.3 | Confident | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.007 | 10% | 0.101 | C | C | . | . | trans | 65.9 | 43.6 | 173.3 | -159.4 | 0 | 0 | 0 | 0 | 114.6 | S136 A137 D183 | S133-S136 WeakPolarHBondContact OG-CB 3.1Å; S133-A137 VanDerWaalsContact O-CB 3.27Å; S133-A137 WeakPolarHBondContact O-CB 3.47Å; S133-A137 PolarHBondContact O-N 3.39Å; S133-A137 VanDerWaalsContact O-N 3.11Å; S133-D183 WeakPolarHBondContact CB-OD1 3.31Å; S133-D183 VanDerWaalsContact OG-CB 3.26Å; S133-D183 WeakPolarHBondContact OG-CB 3.47Å; S133-D183 VanDerWaalsContact OG-CG 3.24Å; S133-D183 PolarHBondContact OG-OD1 3.33Å | ||
| 134 | S | 88.5 | Confident | 88.3 | Confident | 19 Ų | 19 | 14.6 Ų | 14.6 | 13% | 0.133 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69.6 | -40.3 | -178.8 | 64 | 0 | 0 | 0 | 0 | 112.6 | E37 L138 | E37-S134 PolarHBondContact OE1-N 3.31Å; E37-S134 VanDerWaalsContact OE1-N 3.11Å; E37-S134 PolarHBondContact OE1-OG 3.13Å; S134-L138 PolarHBondContact O-N 3.47Å; S134-L138 VanDerWaalsContact O-N 3.12Å |
| 135 | S | 85.2 | Confident | 88.2 | Confident | 24 Ų | 24 | 13.1 Ų | 13.1 | 17% | 0.168 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.9 | -46.5 | 179.6 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | E37 A137 L138 V139 | E37-S135 PolarHBondContact OE1-N 3.48Å; E37-S135 PolarHBondContact OE1-OG 3.04Å; E37-S135 WeakPolarHBondContact OE2-CB 3.34Å; E37-S135 PolarHBondContact OE2-OG 3.15Å; S135-A137 VanDerWaalsContact C-N 3.34Å; S135-A137 PolarHBondContact O-N 3.35Å; S135-L138 CarbonylContact O-C 3.55Å; S135-L138 WeakPolarHBondContact O-CA 3.44Å; S135-L138 VanDerWaalsContact O-CB 3.3Å; S135-L138 WeakPolarHBondContact O-CB 3.28Å; S135-L138 PolarHBondContact O-N 3.46Å; S135-V139 WeakPolarHBondContact O-CG2 3.34Å; S135-V139 PolarHBondContact O-N 2.95Å |
| 136 | S | 88.3 | Confident | 88 | Confident | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.3 | -42.9 | 175.3 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | E37 S133 L138 V139 C140 E172 D183 Q184 | E37-S136 PolarHBondContact O-OG 2.6Å; S133-S136 WeakPolarHBondContact OG-CB 3.1Å; S136-L138 VanDerWaalsContact C-N 3.28Å; S136-L138 PolarHBondContact O-N 3.25Å; S136-V139 PolarHBondContact O-N 2.84Å; S136-C140 PolarHBondContact O-N 3.11Å; S136-C140 PolarHBondContact O-SG 3.44Å; S136-C140 VanDerWaalsContact O-SG 3.38Å; S136-E172 PolarHBondContact OG-OE1 2.86Å; S136-D183 VanDerWaalsContact OG-CB 3.32Å; S136-D183 WeakPolarHBondContact OG-CB 3.49Å; S136-Q184 PolarHBondContact OG-NE2 2.59Å |
| 137 | A | 92.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.3 | -36.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C24 I57 I126 S133 S135 C141 | C24-A137 HydrophobicContact CB-CB 4.19Å; C24-A137 VanDerWaalsContact CB-O 3.26Å; C24-A137 WeakPolarHBondContact CB-O 3.45Å; I57-A137 HydrophobicContact CB-CB 4.32Å; I57-A137 HydrophobicContact CG1-CB 3.73Å; I126-A137 HydrophobicContact CD1-CB 3.78Å; S133-A137 VanDerWaalsContact O-CB 3.27Å; S133-A137 WeakPolarHBondContact O-CB 3.47Å; S133-A137 PolarHBondContact O-N 3.39Å; S133-A137 VanDerWaalsContact O-N 3.11Å; S135-A137 VanDerWaalsContact C-N 3.34Å; S135-A137 PolarHBondContact O-N 3.35Å; A137-C141 VanDerWaalsContact O-CB 3.22Å; A137-C141 WeakPolarHBondContact O-CB 3.23Å; A137-C141 PolarHBondContact O-N 3.12Å |
| 138 | L | 90 | Very high | 87.9 | Confident | 50 Ų | 50 | 9.2 Ų | 9.2 | 26% | 0.262 | 6% | 0.058 | S | C | . | . | H | α-helix | trans | -67.2 | -41.3 | 174.1 | -179.8 | 64.8 | 0 | 0 | 0 | 112.2 | I57 F97 V122 S134 S135 S136 C141 A142 | I57-L138 HydrophobicContact CG2-CD1 4.2Å; F97-L138 HydrophobicContact CD2-CD1 4.19Å; V122-L138 HydrophobicContact CG1-CD1 3.76Å; S134-L138 PolarHBondContact O-N 3.47Å; S134-L138 VanDerWaalsContact O-N 3.12Å; S135-L138 CarbonylContact O-C 3.55Å; S135-L138 WeakPolarHBondContact O-CA 3.44Å; S135-L138 VanDerWaalsContact O-CB 3.3Å; S135-L138 WeakPolarHBondContact O-CB 3.28Å; S135-L138 PolarHBondContact O-N 3.46Å; S136-L138 VanDerWaalsContact C-N 3.28Å; S136-L138 PolarHBondContact O-N 3.25Å; L138-C141 WeakPolarHBondContact O-CB 3.42Å; L138-C141 PolarHBondContact O-N 2.73Å; L138-A142 WeakPolarHBondContact O-CB 3.28Å; L138-A142 PolarHBondContact O-N 3.3Å |
| 139 | V | 89 | Confident | 88.3 | Confident | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -59.9 | -49.2 | 174.3 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | A100 S135 S136 C141 A142 A143 C168 A171 E172 | A100-V139 HydrophobicContact CB-CG1 3.9Å; S135-V139 WeakPolarHBondContact O-CG2 3.34Å; S135-V139 PolarHBondContact O-N 2.95Å; S136-V139 PolarHBondContact O-N 2.84Å; V139-C141 VanDerWaalsContact C-N 3.29Å; V139-C141 PolarHBondContact O-N 3.5Å; V139-A142 WeakPolarHBondContact O-CB 3.38Å; V139-A142 PolarHBondContact O-N 2.95Å; V139-A143 PolarHBondContact O-N 2.76Å; V139-C168 HydrophobicContact CG1-CB 3.8Å; V139-A171 HydrophobicContact CG1-CB 4.08Å; V139-E172 HydrophobicContact CG2-CB 4.5Å |
| 140 | C | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -60.9 | -39.1 | 175.7 | -69.8 | 0 | 0 | 0 | 0 | 112.1 | C24 S136 A143 L144 L188 | C24-C140 HydrophobicContact CB-CB 4.42Å; S136-C140 PolarHBondContact O-N 3.11Å; S136-C140 PolarHBondContact O-SG 3.44Å; S136-C140 VanDerWaalsContact O-SG 3.38Å; C140-A143 PolarHBondContact O-N 3.31Å; C140-L144 WeakPolarHBondContact O-CB 3.33Å; C140-L144 WeakPolarHBondContact O-CG 3.45Å; C140-L144 PolarHBondContact O-N 3.48Å; C140-L188 HydrophobicContact CB-CD2 4.06Å; C140-L188 HydrophobicContact CB-CG 4.27Å |
| 141 | C | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | 177.5 | -160.5 | 0 | 0 | 0 | 0 | 111.1 | C24 I57 A59 A137 L138 V139 A143 L144 S145 | C24-C141 HydrophobicContact CB-CB 4.18Å; C24-C141 WeakPolarHBondContact SG-CA 3.28Å; C24-C141 PolarHBondContact SG-N 3.46Å; C24-C141 VanDerWaalsContact SG-N 3.36Å; I57-C141 HydrophobicContact CG2-CB 4Å; A59-C141 WeakPolarHBondContact CB-SG 3.46Å; A137-C141 VanDerWaalsContact O-CB 3.22Å; A137-C141 WeakPolarHBondContact O-CB 3.23Å; A137-C141 PolarHBondContact O-N 3.12Å; L138-C141 WeakPolarHBondContact O-CB 3.42Å; L138-C141 PolarHBondContact O-N 2.73Å; V139-C141 VanDerWaalsContact C-N 3.29Å; V139-C141 PolarHBondContact O-N 3.5Å; C141-A143 VanDerWaalsContact C-N 3.35Å; C141-A143 PolarHBondContact O-N 2.66Å; C141-L144 PolarHBondContact O-N 2.81Å; C141-S145 WeakPolarHBondContact O-CB 3.4Å; C141-S145 PolarHBondContact O-N 3.14Å; C141-S145 PolarHBondContact O-OG 2.79Å |
| 142 | A | 90.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F97 A100 L138 V139 S145 T146 | F97-A142 HydrophobicContact CB-CB 4.23Å; F97-A142 HydrophobicContact CD1-CB 3.91Å; F97-A142 HydrophobicContact CD2-CB 3.34Å; F97-A142 HydrophobicContact CE1-CB 4.03Å; F97-A142 HydrophobicContact CE2-CB 3.48Å; F97-A142 VanDerWaalsContact CE2-CB 3.48Å; F97-A142 HydrophobicContact CG-CB 3.56Å; F97-A142 HydrophobicContact CZ-CB 3.82Å; A100-A142 HydrophobicContact CB-CB 3.79Å; L138-A142 WeakPolarHBondContact O-CB 3.28Å; L138-A142 PolarHBondContact O-N 3.3Å; V139-A142 WeakPolarHBondContact O-CB 3.38Å; V139-A142 PolarHBondContact O-N 2.95Å; A142-S145 PolarHBondContact O-N 3.12Å; A142-T146 WeakPolarHBondContact O-CB 3.28Å; A142-T146 PolarHBondContact O-N 2.75Å; A142-T146 PolarHBondContact O-OG1 3.31Å |
| 143 | A | 90.5 | Very high | 88.7 | Confident | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.008 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.5 | -46 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V139 C140 C141 T146 I147 L164 C168 | V139-A143 PolarHBondContact O-N 2.76Å; C140-A143 PolarHBondContact O-N 3.31Å; C141-A143 VanDerWaalsContact C-N 3.35Å; C141-A143 PolarHBondContact O-N 2.66Å; A143-T146 PolarHBondContact O-N 3.49Å; A143-I147 WeakPolarHBondContact O-CB 3.47Å; A143-I147 WeakPolarHBondContact O-CD1 3.42Å; A143-I147 VanDerWaalsContact O-CG1 3.25Å; A143-I147 WeakPolarHBondContact O-CG1 3.4Å; A143-I147 PolarHBondContact O-N 3.09Å; A143-L164 HydrophobicContact CB-CD1 3.83Å; A143-C168 WeakPolarHBondContact CB-SG 3.06Å |
| 144 | L | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65 | -39.7 | 176.5 | -75.4 | 174.5 | 0 | 0 | 0 | 112.8 | V22 C140 C141 T146 I147 C148 W155 L164 L188 A452 V454 | V22-L144 HydrophobicContact CG1-CB 3.66Å; V22-L144 HydrophobicContact CG1-CD1 3.82Å; V22-L144 HydrophobicContact CG1-CG 4.42Å; V22-L144 HydrophobicContact CG2-CB 4.36Å; C140-L144 WeakPolarHBondContact O-CB 3.33Å; C140-L144 WeakPolarHBondContact O-CG 3.45Å; C140-L144 PolarHBondContact O-N 3.48Å; C141-L144 PolarHBondContact O-N 2.81Å; L144-T146 VanDerWaalsContact C-N 3.33Å; L144-T146 PolarHBondContact O-N 2.75Å; L144-I147 HydrophobicContact CD2-CD1 4.14Å; L144-I147 WeakPolarHBondContact O-CB 3.47Å; L144-I147 PolarHBondContact O-N 2.92Å; L144-C148 PolarHBondContact O-N 2.92Å; L144-C148 PolarHBondContact O-SG 3.06Å; L144-W155 HydrophobicContact CD2-CH2 3.97Å; L144-W155 HydrophobicContact CD2-CZ2 3.92Å; L144-L164 HydrophobicContact CD2-CD2 3.54Å; L144-L164 HydrophobicContact CG-CD2 4.07Å; L144-L188 HydrophobicContact CD1-CD2 3.81Å; L144-L188 HydrophobicContact CG-CD2 4.21Å; L144-A452 HydrophobicContact CD1-CB 3.63Å; L144-V454 HydrophobicContact CB-CG2 4.29Å; L144-V454 HydrophobicContact CD1-CG2 4.26Å; L144-V454 HydrophobicContact CD2-CG2 4.06Å; L144-V454 HydrophobicContact CG-CG2 4.45Å |
| 145 | S | 91.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 174.4 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | V61 C141 A142 C148 A149 | V61-S145 WeakPolarHBondContact CG2-OG 3.36Å; C141-S145 WeakPolarHBondContact O-CB 3.4Å; C141-S145 PolarHBondContact O-N 3.14Å; C141-S145 PolarHBondContact O-OG 2.79Å; A142-S145 PolarHBondContact O-N 3.12Å; S145-C148 PolarHBondContact O-N 2.86Å; S145-A149 PolarHBondContact O-N 3.06Å |
| 146 | T | 88.8 | Confident | 88.1 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.5 | -44 | 175.9 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | R101 F104 L105 A142 A143 L144 C148 A149 V150 | R101-T146 HydrophobicContact CB-CG2 4.39Å; R101-T146 HydrophobicContact CG-CG2 3.88Å; F104-T146 HydrophobicContact CD1-CG2 3.77Å; F104-T146 HydrophobicContact CE1-CG2 4.19Å; L105-T146 HydrophobicContact CD2-CG2 4.05Å; L105-T146 HydrophobicContact CG-CG2 4.28Å; A142-T146 WeakPolarHBondContact O-CB 3.28Å; A142-T146 PolarHBondContact O-N 2.75Å; A142-T146 PolarHBondContact O-OG1 3.31Å; A143-T146 PolarHBondContact O-N 3.49Å; L144-T146 VanDerWaalsContact C-N 3.33Å; L144-T146 PolarHBondContact O-N 2.75Å; T146-C148 VanDerWaalsContact C-N 3.34Å; T146-C148 PolarHBondContact O-N 2.62Å; T146-A149 PolarHBondContact O-N 2.77Å; T146-V150 HydrophobicContact CG2-CG2 4.22Å; T146-V150 WeakPolarHBondContact O-CB 3.29Å; T146-V150 WeakPolarHBondContact O-CG2 2.73Å; T146-V150 PolarHBondContact O-N 3.06Å |
| 147 | I | 87.1 | Confident | 88 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.4 | -49.7 | 174.4 | -78.2 | 162.5 | 0 | 0 | 0 | 111 | F104 A143 L144 A149 V150 L151 G152 W155 L164 | F104-I147 HydrophobicContact CD1-CG1 4.3Å; F104-I147 HydrophobicContact CD2-CD1 4.23Å; F104-I147 HydrophobicContact CD2-CG1 4.09Å; F104-I147 HydrophobicContact CE1-CB 4.44Å; F104-I147 HydrophobicContact CE1-CG1 3.56Å; F104-I147 HydrophobicContact CE2-CD1 3.63Å; F104-I147 HydrophobicContact CE2-CG1 3.32Å; F104-I147 HydrophobicContact CZ-CB 4.14Å; F104-I147 HydrophobicContact CZ-CD1 3.87Å; F104-I147 HydrophobicContact CZ-CG1 3Å; A143-I147 WeakPolarHBondContact O-CB 3.47Å; A143-I147 WeakPolarHBondContact O-CD1 3.42Å; A143-I147 VanDerWaalsContact O-CG1 3.25Å; A143-I147 WeakPolarHBondContact O-CG1 3.4Å; A143-I147 PolarHBondContact O-N 3.09Å; L144-I147 HydrophobicContact CD2-CD1 4.14Å; L144-I147 WeakPolarHBondContact O-CB 3.47Å; L144-I147 PolarHBondContact O-N 2.92Å; I147-A149 VanDerWaalsContact C-N 3.32Å; I147-A149 PolarHBondContact O-N 3.09Å; I147-V150 PolarHBondContact O-N 3.17Å; I147-L151 WeakPolarHBondContact O-CA 3.03Å; I147-L151 WeakPolarHBondContact O-CB 3.46Å; I147-L151 PolarHBondContact O-N 2.81Å; I147-G152 PolarHBondContact O-N 2.69Å; I147-W155 HydrophobicContact CD1-CE3 4.36Å; I147-W155 HydrophobicContact CD1-CZ3 4.48Å; I147-W155 HydrophobicContact CG2-CB 3.18Å; I147-W155 HydrophobicContact CG2-CD2 3.43Å; I147-W155 VanDerWaalsContact CG2-CD2 3.43Å; I147-W155 HydrophobicContact CG2-CE3 3.9Å; I147-W155 HydrophobicContact CG2-CG 3.12Å; I147-L164 HydrophobicContact CD1-CD1 3.49Å; I147-L164 VanDerWaalsContact CD1-CD1 3.49Å; I147-L164 HydrophobicContact CD1-CD2 3.47Å; I147-L164 VanDerWaalsContact CD1-CD2 3.47Å; I147-L164 HydrophobicContact CD1-CG 4.08Å |
| 148 | C | 87.7 | Confident | 87.7 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.1 | -42.3 | -178.2 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | Y20 L144 S145 T146 G152 V454 | Y20-C148 HydrophobicContact CD1-CB 4.14Å; Y20-C148 HydrophobicContact CD2-CB 4.02Å; Y20-C148 HydrophobicContact CE1-CB 4.32Å; Y20-C148 HydrophobicContact CE2-CB 4.21Å; Y20-C148 HydrophobicContact CG-CB 3.98Å; L144-C148 PolarHBondContact O-N 2.92Å; L144-C148 PolarHBondContact O-SG 3.06Å; S145-C148 PolarHBondContact O-N 2.86Å; T146-C148 VanDerWaalsContact C-N 3.34Å; T146-C148 PolarHBondContact O-N 2.62Å; C148-G152 VanDerWaalsContact O-CA 3.24Å; C148-G152 WeakPolarHBondContact O-CA 3.33Å; C148-G152 PolarHBondContact O-N 2.9Å; C148-G152 VanDerWaalsContact O-N 3.07Å; C148-V454 WeakPolarHBondContact SG-CG1 3.46Å |
| 149 | A | 87.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.6 | -42.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V63 R116 F118 S145 T146 I147 | V63-A149 HydrophobicContact CG1-CB 4.19Å; V63-A149 HydrophobicContact CG2-CB 4.19Å; R116-A149 WeakPolarHBondContact CD-O 3.39Å; F118-A149 HydrophobicContact CB-CB 4.09Å; F118-A149 HydrophobicContact CD1-CB 3.61Å; F118-A149 HydrophobicContact CE1-CB 4.46Å; F118-A149 HydrophobicContact CG-CB 4.25Å; S145-A149 PolarHBondContact O-N 3.06Å; T146-A149 PolarHBondContact O-N 2.77Å; I147-A149 VanDerWaalsContact C-N 3.32Å; I147-A149 PolarHBondContact O-N 3.09Å |
| 150 | V | 85.3 | Confident | 87.7 | Confident | 30 Ų | 30 | 33.9 Ų | 33.9 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -89.1 | -41.2 | -171.6 | 179.5 | 0 | 0 | 0 | 0 | 112.3 | L105 L110 V114 T146 I147 | L105-V150 HydrophobicContact CD2-CG2 4.17Å; L110-V150 HydrophobicContact CD1-CG1 3.67Å; V114-V150 HydrophobicContact CG1-CG2 4.1Å; T146-V150 HydrophobicContact CG2-CG2 4.22Å; T146-V150 WeakPolarHBondContact O-CB 3.29Å; T146-V150 WeakPolarHBondContact O-CG2 2.73Å; T146-V150 PolarHBondContact O-N 3.06Å; I147-V150 PolarHBondContact O-N 3.17Å |
| 151 | L | 85.5 | Confident | 87.7 | Confident | 24 Ų | 24 | 37.7 Ų | 37.7 | 13% | 0.126 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -105 | -15.8 | -174 | -58 | -171.7 | 0 | 0 | 0 | 114 | F104 L108 L110 I147 W155 M158 | F104-L151 HydrophobicContact CZ-CD1 4.22Å; L108-L151 HydrophobicContact CD1-CD1 3.73Å; L108-L151 HydrophobicContact CD1-CD2 4.15Å; L108-L151 HydrophobicContact CD1-CG 4.19Å; L110-L151 HydrophobicContact CD1-CD2 3.81Å; I147-L151 WeakPolarHBondContact O-CA 3.03Å; I147-L151 WeakPolarHBondContact O-CB 3.46Å; I147-L151 PolarHBondContact O-N 2.81Å; L151-W155 HydrophobicContact CB-CB 3.72Å; L151-W155 HydrophobicContact CD1-CB 3.88Å; L151-W155 HydrophobicContact CG-CB 4.45Å; L151-M158 HydrophobicContact CB-CE 4.16Å; L151-M158 HydrophobicContact CD1-CB 4.2Å; L151-M158 HydrophobicContact CD1-CE 4.35Å; L151-M158 HydrophobicContact CD1-SD 4.1Å; L151-M158 HydrophobicContact CD2-CE 3.77Å; L151-M158 HydrophobicContact CD2-SD 3.75Å; L151-M158 HydrophobicContact CG-CE 4.32Å; L151-M158 HydrophobicContact CG-SD 4.45Å |
| 152 | G | 85.4 | Confident | 87.7 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | 62.8 | -157.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I147 C148 K154 W155 | I147-G152 PolarHBondContact O-N 2.69Å; C148-G152 VanDerWaalsContact O-CA 3.24Å; C148-G152 WeakPolarHBondContact O-CA 3.33Å; C148-G152 PolarHBondContact O-N 2.9Å; C148-G152 VanDerWaalsContact O-N 3.07Å; G152-K154 PolarHBondContact O-N 3.37Å; G152-K154 VanDerWaalsContact O-N 3.13Å; G152-W155 PolarHBondContact O-N 3.48Å |
| 153 | D | 81.6 | Confident | 87.7 | Confident | 102 Ų | 102 | 45.3 Ų | 45.3 | 55% | 0.545 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -65.9 | -19.5 | -169.2 | -59.5 | -17.5 | 0 | 0 | 0 | 114.8 | Y20 | Y20-D153 WeakPolarHBondContact CE1-OD1 3.32Å; Y20-D153 PolarHBondContact OH-OD1 3.08Å |
| 154 | K | 82.6 | Confident | 87.8 | Confident | 148 Ų | 148 | 45.3 Ų | 45.3 | 64% | 0.643 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -95.4 | 15.3 | -176.9 | -63.6 | -171.2 | -179.9 | -177.9 | 0 | 113.9 | G152 S156 D157 | G152-K154 PolarHBondContact O-N 3.37Å; G152-K154 VanDerWaalsContact O-N 3.13Å; K154-S156 PolarHBondContact O-N 2.86Å; K154-S156 VanDerWaalsContact O-N 3.09Å; K154-D157 WeakPolarHBondContact O-CB 3.4Å; K154-D157 PolarHBondContact O-N 3.34Å |
| 155 | W | 83.7 | Confident | 87.8 | Confident | 23 Ų | 23 | 45.3 Ų | 45.3 | 9% | 0.087 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -57 | -28.7 | -178.2 | 69.9 | -95.6 | 0 | 0 | 0 | 114.2 | L144 I147 L151 G152 D157 M158 I159 R161 L164 | L144-W155 HydrophobicContact CD2-CH2 3.97Å; L144-W155 HydrophobicContact CD2-CZ2 3.92Å; I147-W155 HydrophobicContact CD1-CE3 4.36Å; I147-W155 HydrophobicContact CD1-CZ3 4.48Å; I147-W155 HydrophobicContact CG2-CB 3.18Å; I147-W155 HydrophobicContact CG2-CD2 3.43Å; I147-W155 VanDerWaalsContact CG2-CD2 3.43Å; I147-W155 HydrophobicContact CG2-CE3 3.9Å; I147-W155 HydrophobicContact CG2-CG 3.12Å; L151-W155 HydrophobicContact CB-CB 3.72Å; L151-W155 HydrophobicContact CD1-CB 3.88Å; L151-W155 HydrophobicContact CG-CB 4.45Å; G152-W155 PolarHBondContact O-N 3.48Å; W155-D157 PolarHBondContact O-N 3.03Å; W155-D157 VanDerWaalsContact O-N 3.15Å; W155-M158 PolarHBondContact O-N 3.31Å; W155-I159 HydrophobicContact CE3-CG2 3.7Å; W155-I159 HydrophobicContact CZ3-CG2 4.09Å; W155-I159 PolarHBondContact O-N 3.05Å; W155-I159 VanDerWaalsContact O-N 3.14Å; W155-R161 HydrophobicContact CH2-CG 4.02Å; W155-L164 HydrophobicContact CH2-CD2 4.42Å; W155-L164 HydrophobicContact CZ3-CD2 4.35Å |
| 156 | S | 85 | Confident | 87.7 | Confident | 76 Ų | 76 | 49.2 Ų | 49.2 | 53% | 0.531 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -62.8 | -18.2 | 178.3 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | K154 M158 | K154-S156 PolarHBondContact O-N 2.86Å; K154-S156 VanDerWaalsContact O-N 3.09Å; S156-M158 VanDerWaalsContact C-N 3.32Å |
| 157 | D | 85.9 | Confident | 87.6 | Confident | 132 Ų | 132 | 49.7 Ų | 49.7 | 71% | 0.706 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -79.2 | -19.5 | 175.5 | -60.6 | -18.3 | 0 | 0 | 0 | 111.8 | K154 W155 | K154-D157 WeakPolarHBondContact O-CB 3.4Å; K154-D157 PolarHBondContact O-N 3.34Å; W155-D157 PolarHBondContact O-N 3.03Å; W155-D157 VanDerWaalsContact O-N 3.15Å |
| 158 | M | 85.4 | Confident | 87.7 | Confident | 114 Ų | 114 | 49.7 Ų | 49.7 | 56% | 0.562 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -31.2 | -175.7 | -60.4 | -166.8 | -129 | 0 | 0 | 113.5 | L151 W155 S156 | L151-M158 HydrophobicContact CB-CE 4.16Å; L151-M158 HydrophobicContact CD1-CB 4.2Å; L151-M158 HydrophobicContact CD1-CE 4.35Å; L151-M158 HydrophobicContact CD1-SD 4.1Å; L151-M158 HydrophobicContact CD2-CE 3.77Å; L151-M158 HydrophobicContact CD2-SD 3.75Å; L151-M158 HydrophobicContact CG-CE 4.32Å; L151-M158 HydrophobicContact CG-SD 4.45Å; W155-M158 PolarHBondContact O-N 3.31Å; S156-M158 VanDerWaalsContact C-N 3.32Å |
| 159 | I | 88.7 | Confident | 87.8 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | trans | -143.3 | 130.7 | -179.2 | -168.4 | 174.4 | 0 | 0 | 0 | 111.2 | F104 W155 Q163 L164 | F104-I159 HydrophobicContact CD2-CD1 4.34Å; F104-I159 HydrophobicContact CE2-CD1 3.88Å; F104-I159 HydrophobicContact CE2-CG2 4.36Å; W155-I159 HydrophobicContact CE3-CG2 3.7Å; W155-I159 HydrophobicContact CZ3-CG2 4.09Å; W155-I159 PolarHBondContact O-N 3.05Å; W155-I159 VanDerWaalsContact O-N 3.14Å; I159-Q163 HydrophobicContact CD1-CB 4.12Å; I159-Q163 HydrophobicContact CG1-CB 3.65Å; I159-L164 HydrophobicContact CD1-CB 4.26Å | ||
| 160 | S | 91.4 | Very high | 87.6 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | trans | -74.2 | 155.8 | 172.5 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | Q162 Q163 L164 | S160-Q162 PolarHBondContact O-N 3.21Å; S160-Q163 PolarHBondContact O-N 3.39Å; S160-Q163 WeakPolarHBondContact OG-CB 3.23Å; S160-Q163 VanDerWaalsContact OG-CG 3.27Å; S160-Q163 WeakPolarHBondContact OG-CG 2.98Å; S160-Q163 PolarHBondContact OG-N 3.33Å; S160-Q163 VanDerWaalsContact OG-N 3.13Å; S160-Q163 PolarHBondContact OG-OE1 2.97Å; S160-L164 PolarHBondContact O-N 3.44Å | ||
| 161 | R | 92.1 | Very high | 87.5 | Confident | 80 Ų | 80 | 53.7 Ų | 53.7 | 30% | 0.302 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.2 | -29.6 | 173.3 | -73.9 | 176.8 | 170.8 | -105.3 | -0.3 | 112.5 | W155 A165 L188 L189 A452 | W155-R161 HydrophobicContact CH2-CG 4.02Å; R161-A165 WeakPolarHBondContact O-CB 3.13Å; R161-A165 PolarHBondContact O-N 2.82Å; R161-L188 PolarHBondContact NH1-O 3.25Å; R161-L189 HydrophobicContact CB-CD1 4.39Å; R161-L189 HydrophobicContact CB-CD2 3.9Å; R161-L189 HydrophobicContact CB-CG 3.91Å; R161-A452 PolarHBondContact NH1-O 3.48Å; R161-A452 PolarHBondContact NH2-O 3.48Å |
| 162 | Q | 93 | Very high | 87.2 | Confident | 83 Ų | 83 | 52.9 Ų | 52.9 | 39% | 0.388 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.9 | -51.9 | 175.2 | -69.3 | 82.5 | -16.6 | 0 | 0 | 110.9 | S160 L164 A165 E166 L189 L203 | S160-Q162 PolarHBondContact O-N 3.21Å; Q162-L164 VanDerWaalsContact C-N 3.28Å; Q162-L164 PolarHBondContact O-N 2.95Å; Q162-A165 WeakPolarHBondContact O-CB 3.41Å; Q162-A165 PolarHBondContact O-N 2.93Å; Q162-A165 VanDerWaalsContact O-N 3.09Å; Q162-E166 PolarHBondContact O-N 3.33Å; Q162-L189 HydrophobicContact CG-CD2 3.65Å; Q162-L203 HydrophobicContact CB-CD2 4.36Å |
| 163 | Q | 90.9 | Very high | 86.9 | Confident | 78 Ų | 78 | 56.9 Ų | 56.9 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 175.2 | -73.6 | 163.9 | -53.2 | 0 | 0 | 110.6 | I159 S160 A165 E166 E167 | I159-Q163 HydrophobicContact CD1-CB 4.12Å; I159-Q163 HydrophobicContact CG1-CB 3.65Å; S160-Q163 PolarHBondContact O-N 3.39Å; S160-Q163 WeakPolarHBondContact OG-CB 3.23Å; S160-Q163 VanDerWaalsContact OG-CG 3.27Å; S160-Q163 WeakPolarHBondContact OG-CG 2.98Å; S160-Q163 PolarHBondContact OG-N 3.33Å; S160-Q163 VanDerWaalsContact OG-N 3.13Å; S160-Q163 PolarHBondContact OG-OE1 2.97Å; Q163-A165 VanDerWaalsContact C-N 3.29Å; Q163-A165 PolarHBondContact O-N 3.22Å; Q163-E166 PolarHBondContact O-N 3.41Å; Q163-E166 VanDerWaalsContact O-N 3.16Å; Q163-E167 WeakPolarHBondContact O-CG 3.41Å; Q163-E167 PolarHBondContact O-N 3.21Å |
| 164 | L | 91.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 175.8 | -176.3 | 58.4 | 0 | 0 | 0 | 112.6 | F104 A143 L144 I147 W155 I159 S160 Q162 E167 C168 L188 | F104-L164 HydrophobicContact CD2-CD1 4.07Å; F104-L164 HydrophobicContact CE2-CD1 4.35Å; A143-L164 HydrophobicContact CB-CD1 3.83Å; L144-L164 HydrophobicContact CD2-CD2 3.54Å; L144-L164 HydrophobicContact CG-CD2 4.07Å; I147-L164 HydrophobicContact CD1-CD1 3.49Å; I147-L164 VanDerWaalsContact CD1-CD1 3.49Å; I147-L164 HydrophobicContact CD1-CD2 3.47Å; I147-L164 VanDerWaalsContact CD1-CD2 3.47Å; I147-L164 HydrophobicContact CD1-CG 4.08Å; W155-L164 HydrophobicContact CH2-CD2 4.42Å; W155-L164 HydrophobicContact CZ3-CD2 4.35Å; I159-L164 HydrophobicContact CD1-CB 4.26Å; S160-L164 PolarHBondContact O-N 3.44Å; Q162-L164 VanDerWaalsContact C-N 3.28Å; Q162-L164 PolarHBondContact O-N 2.95Å; L164-E167 PolarHBondContact O-N 3.36Å; L164-C168 WeakPolarHBondContact O-CB 3.19Å; L164-C168 PolarHBondContact O-N 2.98Å; L164-C168 PolarHBondContact O-SG 3.5Å; L164-L188 HydrophobicContact CB-CD1 4.16Å; L164-L188 HydrophobicContact CD2-CD1 4.07Å; L164-L188 HydrophobicContact CD2-CD2 4.03Å; L164-L188 HydrophobicContact CG-CD1 3.77Å |
| 165 | A | 92.6 | Very high | 85.8 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | R161 Q162 Q163 E167 C168 A169 Q184 A185 L188 L189 L203 | R161-A165 WeakPolarHBondContact O-CB 3.13Å; R161-A165 PolarHBondContact O-N 2.82Å; Q162-A165 WeakPolarHBondContact O-CB 3.41Å; Q162-A165 PolarHBondContact O-N 2.93Å; Q162-A165 VanDerWaalsContact O-N 3.09Å; Q163-A165 VanDerWaalsContact C-N 3.29Å; Q163-A165 PolarHBondContact O-N 3.22Å; A165-E167 VanDerWaalsContact C-N 3.34Å; A165-C168 PolarHBondContact O-N 3.34Å; A165-A169 VanDerWaalsContact O-CB 3.31Å; A165-A169 WeakPolarHBondContact O-CB 3.32Å; A165-A169 PolarHBondContact O-N 2.91Å; A165-Q184 HydrophobicContact CB-CB 4.11Å; A165-Q184 VanDerWaalsContact O-CB 3.31Å; A165-Q184 WeakPolarHBondContact O-CB 3.08Å; A165-A185 HydrophobicContact CB-CB 4.45Å; A165-L188 HydrophobicContact CB-CD1 3.81Å; A165-L189 HydrophobicContact CB-CD1 3.85Å; A165-L203 HydrophobicContact CB-CD2 3.73Å |
| 166 | E | 90.4 | Very high | 85.1 | Confident | 82 Ų | 82 | 53 Ų | 53 | 38% | 0.383 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 174.7 | -67.1 | 174.6 | 155 | 0 | 0 | 111.3 | Q162 Q163 A169 R170 L203 | Q162-E166 PolarHBondContact O-N 3.33Å; Q163-E166 PolarHBondContact O-N 3.41Å; Q163-E166 VanDerWaalsContact O-N 3.16Å; E166-A169 WeakPolarHBondContact O-CB 3.18Å; E166-A169 PolarHBondContact O-N 3.32Å; E166-R170 WeakPolarHBondContact O-CG 3.04Å; E166-R170 PolarHBondContact O-N 2.98Å; E166-L203 HydrophobicContact CG-CB 4.17Å; E166-L203 HydrophobicContact CG-CD2 3.99Å; E166-L203 WeakPolarHBondContact OE1-CB 3.41Å |
| 167 | E | 87.3 | Confident | 84.4 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.2 | -48.1 | 175.8 | -68 | -43 | 129.7 | 0 | 0 | 113.1 | H107 Q163 L164 A165 A169 R170 A171 | H107-E167 HydrophobicContact CB-CG 4.01Å; H107-E167 IonicContact CE1-OE1 3.21Å; H107-E167 PolarHBondContact CE1-OE1 3.31Å; H107-E167 VanDerWaalsContact CE1-OE1 3.25Å; H107-E167 VanDerWaalsContact CG-CD 3.47Å; H107-E167 IonicContact CG-OE1 3.63Å; H107-E167 IonicContact CG-OE2 3.01Å; H107-E167 IonicContact ND1-OE1 3.48Å; H107-E167 PolarHBondContact ND1-OE1 3.15Å; H107-E167 IonicContact ND1-OE2 2.63Å; Q163-E167 WeakPolarHBondContact O-CG 3.41Å; Q163-E167 PolarHBondContact O-N 3.21Å; L164-E167 PolarHBondContact O-N 3.36Å; A165-E167 VanDerWaalsContact C-N 3.34Å; E167-A169 PolarHBondContact O-N 3.31Å; E167-R170 PolarHBondContact O-N 2.7Å; E167-R170 VanDerWaalsContact O-N 3.15Å; E167-R170 IonicContact OE1-CZ 2.81Å; E167-R170 VanDerWaalsContact OE1-CZ 3.27Å; E167-R170 IonicContact OE1-NE 2.83Å; E167-R170 PolarHBondContact OE1-NE 2.97Å; E167-R170 IonicContact OE1-NH2 2.97Å; E167-R170 PolarHBondContact OE1-NH2 3.37Å; E167-R170 IonicContact OE2-CZ 3.76Å; E167-R170 IonicContact OE2-NE 3.03Å; E167-R170 PolarHBondContact OE2-NE 3.19Å; E167-R170 VanDerWaalsContact OE2-NE 3.15Å; E167-R170 IonicContact OE2-NH2 3.75Å; E167-R170 PolarHBondContact OE2-NH2 3.07Å; E167-A171 WeakPolarHBondContact O-CB 3.41Å; E167-A171 PolarHBondContact O-N 3.38Å |
| 168 | C | 89.2 | Confident | 83.8 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.5 | -34 | 172.9 | -71 | 0 | 0 | 0 | 0 | 111.1 | R38 V139 A143 L164 A165 A171 E172 Q184 | R38-C168 PolarHBondContact NH2-O 2.98Å; V139-C168 HydrophobicContact CG1-CB 3.8Å; A143-C168 WeakPolarHBondContact CB-SG 3.06Å; L164-C168 WeakPolarHBondContact O-CB 3.19Å; L164-C168 PolarHBondContact O-N 2.98Å; L164-C168 PolarHBondContact O-SG 3.5Å; A165-C168 PolarHBondContact O-N 3.34Å; C168-A171 PolarHBondContact O-N 3.07Å; C168-E172 PolarHBondContact O-N 3.42Å; C168-Q184 HydrophobicContact CB-CB 3.91Å; C168-Q184 HydrophobicContact CB-CG 3.39Å |
| 169 | A | 88.1 | Confident | 83.2 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.3 | -42.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | R38 A165 E166 E167 Q184 | R38-A169 PolarHBondContact NH1-O 3.49Å; A165-A169 VanDerWaalsContact O-CB 3.31Å; A165-A169 WeakPolarHBondContact O-CB 3.32Å; A165-A169 PolarHBondContact O-N 2.91Å; E166-A169 WeakPolarHBondContact O-CB 3.18Å; E166-A169 PolarHBondContact O-N 3.32Å; E167-A169 PolarHBondContact O-N 3.31Å; A169-Q184 HydrophobicContact CB-CG 4.36Å |
| 170 | R | 85.1 | Confident | 82.8 | Confident | 112 Ų | 112 | 41.6 Ų | 41.6 | 42% | 0.423 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 173.4 | -65.8 | -166.1 | -62 | 172.9 | 0.2 | 112.3 | L103 E166 E167 E172 R173 F174 | L103-R170 HydrophobicContact CD1-CB 3.9Å; E166-R170 WeakPolarHBondContact O-CG 3.04Å; E166-R170 PolarHBondContact O-N 2.98Å; E167-R170 PolarHBondContact O-N 2.7Å; E167-R170 VanDerWaalsContact O-N 3.15Å; E167-R170 IonicContact OE1-CZ 2.81Å; E167-R170 VanDerWaalsContact OE1-CZ 3.27Å; E167-R170 IonicContact OE1-NE 2.83Å; E167-R170 PolarHBondContact OE1-NE 2.97Å; E167-R170 IonicContact OE1-NH2 2.97Å; E167-R170 PolarHBondContact OE1-NH2 3.37Å; E167-R170 IonicContact OE2-CZ 3.76Å; E167-R170 IonicContact OE2-NE 3.03Å; E167-R170 PolarHBondContact OE2-NE 3.19Å; E167-R170 VanDerWaalsContact OE2-NE 3.15Å; E167-R170 IonicContact OE2-NH2 3.75Å; E167-R170 PolarHBondContact OE2-NH2 3.07Å; R170-E172 VanDerWaalsContact C-N 3.33Å; R170-E172 PolarHBondContact O-N 2.83Å; R170-R173 WeakPolarHBondContact O-CB 2.82Å; R170-R173 PolarHBondContact O-N 2.88Å; R170-R173 VanDerWaalsContact O-N 3.1Å; R170-F174 VanDerWaalsContact O-CD2 3.31Å; R170-F174 WeakPolarHBondContact O-CD2 3.36Å |
| 171 | A | 82.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.3 | -44.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S99 A100 L103 V139 E167 C168 R173 F174 | S99-A171 WeakPolarHBondContact CB-O 3.36Å; A100-A171 HydrophobicContact CB-CB 4.34Å; L103-A171 HydrophobicContact CB-CB 4.48Å; L103-A171 HydrophobicContact CD1-CB 3.88Å; V139-A171 HydrophobicContact CG1-CB 4.08Å; E167-A171 WeakPolarHBondContact O-CB 3.41Å; E167-A171 PolarHBondContact O-N 3.38Å; C168-A171 PolarHBondContact O-N 3.07Å; A171-R173 VanDerWaalsContact C-N 3.28Å; A171-R173 PolarHBondContact O-N 2.99Å; A171-F174 WeakPolarHBondContact O-CB 3.19Å; A171-F174 PolarHBondContact O-N 3.25Å |
| 172 | E | 80.3 | Confident | 82.7 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 3% | 0.033 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -73.9 | -20.5 | -177.3 | -162.8 | 174.8 | -73.6 | 0 | 0 | 113.5 | R38 S136 V139 C168 R170 F174 V175 | R38-E172 IonicContact CZ-OE1 3.52Å; R38-E172 IonicContact CZ-OE2 3.26Å; R38-E172 IonicContact NE-OE1 3.17Å; R38-E172 IonicContact NE-OE2 3.7Å; R38-E172 PolarHBondContact NE-OE2 2.83Å; R38-E172 IonicContact NH2-OE1 3.92Å; R38-E172 PolarHBondContact NH2-OE1 3.48Å; R38-E172 IonicContact NH2-OE2 2.97Å; R38-E172 PolarHBondContact NH2-OE2 3.25Å; S136-E172 PolarHBondContact OG-OE1 2.86Å; V139-E172 HydrophobicContact CG2-CB 4.5Å; C168-E172 PolarHBondContact O-N 3.42Å; R170-E172 VanDerWaalsContact C-N 3.33Å; R170-E172 PolarHBondContact O-N 2.83Å; E172-F174 PolarHBondContact O-N 3.46Å; E172-V175 WeakPolarHBondContact O-CA 3.13Å; E172-V175 WeakPolarHBondContact O-CB 3.4Å; E172-V175 PolarHBondContact O-N 2.96Å |
| 173 | R | 78.6 | Confident | 82.6 | Confident | 98 Ų | 98 | 32.3 Ų | 32.3 | 37% | 0.37 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.2 | -26 | 174.3 | -61.7 | -174.9 | -169.4 | 129.3 | 5.7 | 112 | R170 A171 V175 G176 T177 G179 | R170-R173 WeakPolarHBondContact O-CB 2.82Å; R170-R173 PolarHBondContact O-N 2.88Å; R170-R173 VanDerWaalsContact O-N 3.1Å; A171-R173 VanDerWaalsContact C-N 3.28Å; A171-R173 PolarHBondContact O-N 2.99Å; R173-V175 PolarHBondContact O-N 3.05Å; R173-G176 PolarHBondContact O-N 3.36Å; R173-G176 VanDerWaalsContact O-N 3.11Å; R173-T177 WeakPolarHBondContact CA-O 3.39Å; R173-G179 PolarHBondContact NE-O 2.94Å; R173-G179 PolarHBondContact NH2-O 2.79Å |
| 174 | F | 72.2 | Confident | 82.8 | Confident | 106 Ų | 106 | 28.6 Ų | 28.6 | 47% | 0.465 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16.2 | 172.2 | -68.9 | -96.1 | 0 | 0 | 0 | 112.9 | L90 L93 L103 R170 A171 E172 G176 | L90-F174 HydrophobicContact CD2-CD1 4.01Å; L90-F174 HydrophobicContact CD2-CE1 3.68Å; L90-F174 HydrophobicContact CD2-CZ 4.06Å; L93-F174 HydrophobicContact CD1-CB 3.95Å; L93-F174 HydrophobicContact CD1-CD1 4.19Å; L93-F174 HydrophobicContact CD1-CG 4.18Å; L103-F174 HydrophobicContact CD1-CD2 3.58Å; L103-F174 HydrophobicContact CD1-CE2 3.35Å; L103-F174 HydrophobicContact CD1-CZ 4.33Å; L103-F174 HydrophobicContact CD2-CD2 4.38Å; L103-F174 HydrophobicContact CD2-CE2 3.72Å; L103-F174 HydrophobicContact CD2-CZ 3.89Å; L103-F174 HydrophobicContact CG-CD2 4.2Å; L103-F174 HydrophobicContact CG-CE2 3.97Å; R170-F174 VanDerWaalsContact O-CD2 3.31Å; R170-F174 WeakPolarHBondContact O-CD2 3.36Å; A171-F174 WeakPolarHBondContact O-CB 3.19Å; A171-F174 PolarHBondContact O-N 3.25Å; E172-F174 PolarHBondContact O-N 3.46Å; F174-G176 VanDerWaalsContact C-N 3.28Å |
| 175 | V | 68.6 | Low | 83 | Confident | 46 Ų | 46 | 28.6 Ų | 28.6 | 28% | 0.279 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 2.5 | 173.5 | -166 | 0 | 0 | 0 | 0 | 111.6 | E172 R173 | E172-V175 WeakPolarHBondContact O-CA 3.13Å; E172-V175 WeakPolarHBondContact O-CB 3.4Å; E172-V175 PolarHBondContact O-N 2.96Å; R173-V175 PolarHBondContact O-N 3.05Å |
| 176 | G | 68.7 | Low | 83.1 | Confident | 38 Ų | 38 | 28.6 Ų | 28.6 | 39% | 0.392 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.3 | -4.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | R173 F174 N235 | R173-G176 PolarHBondContact O-N 3.36Å; R173-G176 VanDerWaalsContact O-N 3.11Å; F174-G176 VanDerWaalsContact C-N 3.28Å; G176-N235 PolarHBondContact O-ND2 2.77Å |
| 177 | T | 70.5 | Confident | 83.4 | Confident | 16 Ų | 16 | 24.7 Ų | 24.7 | 10% | 0.098 | 13% | 0.125 | C | C | . | . | trans | -89.4 | 124.2 | 177.1 | -52 | 0 | 0 | 0 | 0 | 110.2 | R173 G179 Y234 | R173-T177 WeakPolarHBondContact CA-O 3.39Å; T177-G179 PolarHBondContact O-N 3.17Å; T177-Y234 HydrophobicContact CG2-CD1 4.01Å; T177-Y234 HydrophobicContact CG2-CE1 3.97Å | ||
| 178 | Q | 72.3 | Confident | 83.8 | Confident | 64 Ų | 64 | 24.3 Ų | 24.3 | 30% | 0.299 | 12% | 0.123 | S | C | . | . | trans | -82.4 | 41.4 | -179.5 | -68.9 | -62.8 | -39.6 | 0 | 0 | 113.7 | N235 V238 | Q178-N235 WeakPolarHBondContact CB-OD1 3.39Å; Q178-N235 PolarHBondContact N-OD1 2.85Å; Q178-V238 HydrophobicContact CB-CG1 4.39Å; Q178-V238 HydrophobicContact CB-CG2 4.35Å | ||
| 179 | G | 72.8 | Confident | 84.1 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | trans | -77.3 | 164.4 | -171 | 0 | 0 | 0 | 0 | 0 | 115.9 | R173 T177 Y234 | R173-G179 PolarHBondContact NE-O 2.94Å; R173-G179 PolarHBondContact NH2-O 2.79Å; T177-G179 PolarHBondContact O-N 3.17Å; G179-Y234 VanDerWaalsContact CA-OH 3.23Å; G179-Y234 WeakPolarHBondContact CA-OH 3.31Å | ||
| 180 | G | 81 | Confident | 84.5 | Confident | 4 Ų | 4 | 26 Ų | 26 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | trans | -75.9 | -149 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | R38 D42 | R38-G180 VanDerWaalsContact CD-O 3.22Å; R38-G180 WeakPolarHBondContact CD-O 3.2Å; R38-G180 PolarHBondContact NH1-O 3.42Å; D42-G180 WeakPolarHBondContact OD2-CA 3.22Å | ||
| 181 | G | 89.2 | Confident | 84.9 | Confident | 11 Ų | 11 | 23 Ų | 23 | 11% | 0.113 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -128.3 | 5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | D42 D183 A185 | D42-G181 PolarHBondContact OD2-N 2.96Å; G181-D183 PolarHBondContact O-N 3.21Å; G181-A185 VanDerWaalsContact O-CB 3.31Å; G181-A185 WeakPolarHBondContact O-CB 3.49Å; G181-A185 PolarHBondContact O-N 3.01Å; G181-A185 VanDerWaalsContact O-N 3.13Å |
| 182 | M | 92 | Very high | 85.3 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | -174.2 | 178.7 | -93.7 | -43.6 | 0 | 0 | 112.7 | R27 E39 T48 P50 Q184 A185 I186 F200 | R27-M182 HydrophobicContact CG-SD 4.29Å; E39-M182 HydrophobicContact CB-CE 4.23Å; E39-M182 HydrophobicContact CG-CE 3.41Å; E39-M182 VanDerWaalsContact CG-CE 3.41Å; E39-M182 WeakPolarHBondContact OE1-CE 3.35Å; E39-M182 WeakPolarHBondContact OE2-CB 3.22Å; E39-M182 WeakPolarHBondContact OE2-CG 3.12Å; T48-M182 VanDerWaalsContact OG1-CG 3.3Å; T48-M182 WeakPolarHBondContact OG1-CG 3.12Å; P50-M182 HydrophobicContact CB-CG 4.34Å; P50-M182 HydrophobicContact CB-SD 3.51Å; P50-M182 VanDerWaalsContact CB-SD 3.51Å; P50-M182 HydrophobicContact CG-CG 3.73Å; P50-M182 HydrophobicContact CG-SD 3.53Å; P50-M182 VanDerWaalsContact CG-SD 3.53Å; M182-Q184 VanDerWaalsContact C-N 3.33Å; M182-Q184 PolarHBondContact O-N 3.16Å; M182-A185 WeakPolarHBondContact O-CB 3.37Å; M182-A185 PolarHBondContact O-N 3.15Å; M182-A185 VanDerWaalsContact O-N 3.16Å; M182-I186 WeakPolarHBondContact O-CG2 3.47Å; M182-I186 PolarHBondContact O-N 2.85Å; M182-I186 HydrophobicContact SD-CG2 3.91Å; M182-F200 HydrophobicContact CB-CE1 4.35Å; M182-F200 HydrophobicContact CB-CZ 3.87Å |
| 183 | D | 92.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | -175 | -66.7 | -91.6 | 0 | 0 | 0 | 113 | R27 R38 S133 S136 G181 A185 I186 C187 | R27-D183 IonicContact CZ-OD1 2.84Å; R27-D183 VanDerWaalsContact CZ-OD1 3.26Å; R27-D183 IonicContact NE-OD1 2.57Å; R27-D183 PolarHBondContact NE-OD1 3.34Å; R27-D183 IonicContact NH2-OD1 3.32Å; R27-D183 PolarHBondContact NH2-OD1 2.89Å; R27-D183 IonicContact NH2-OD2 2.8Å; R38-D183 WeakPolarHBondContact CA-OD2 3.4Å; R38-D183 WeakPolarHBondContact CB-OD2 3.36Å; R38-D183 HydrophobicContact CG-CB 4.49Å; R38-D183 VanDerWaalsContact CG-OD2 3.29Å; R38-D183 WeakPolarHBondContact CG-OD2 3.3Å; S133-D183 WeakPolarHBondContact CB-OD1 3.31Å; S133-D183 VanDerWaalsContact OG-CB 3.26Å; S133-D183 WeakPolarHBondContact OG-CB 3.47Å; S133-D183 VanDerWaalsContact OG-CG 3.24Å; S133-D183 PolarHBondContact OG-OD1 3.33Å; S136-D183 VanDerWaalsContact OG-CB 3.32Å; S136-D183 WeakPolarHBondContact OG-CB 3.49Å; G181-D183 PolarHBondContact O-N 3.21Å; D183-A185 VanDerWaalsContact C-N 3.34Å; D183-I186 WeakPolarHBondContact O-CG2 3.32Å; D183-C187 WeakPolarHBondContact O-CA 3.36Å; D183-C187 WeakPolarHBondContact O-CB 3.42Å; D183-C187 PolarHBondContact O-N 3.07Å |
| 184 | Q | 93.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.9 | -41.3 | 179.2 | -63.4 | 65.5 | 48.2 | 0 | 0 | 109.4 | R38 S136 A165 C168 A169 M182 C187 L188 | R38-Q184 VanDerWaalsContact NE-NE2 3.13Å; S136-Q184 PolarHBondContact OG-NE2 2.59Å; A165-Q184 HydrophobicContact CB-CB 4.11Å; A165-Q184 VanDerWaalsContact O-CB 3.31Å; A165-Q184 WeakPolarHBondContact O-CB 3.08Å; C168-Q184 HydrophobicContact CB-CB 3.91Å; C168-Q184 HydrophobicContact CB-CG 3.39Å; A169-Q184 HydrophobicContact CB-CG 4.36Å; M182-Q184 VanDerWaalsContact C-N 3.33Å; M182-Q184 PolarHBondContact O-N 3.16Å; Q184-C187 PolarHBondContact O-N 3.03Å; Q184-L188 VanDerWaalsContact O-CB 3.3Å; Q184-L188 WeakPolarHBondContact O-CB 2.74Å; Q184-L188 WeakPolarHBondContact O-CG 2.81Å; Q184-L188 PolarHBondContact O-N 2.6Å |
| 185 | A | 95.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60 | -53.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A165 G181 M182 D183 C187 L188 L189 V198 L203 L205 | A165-A185 HydrophobicContact CB-CB 4.45Å; G181-A185 VanDerWaalsContact O-CB 3.31Å; G181-A185 WeakPolarHBondContact O-CB 3.49Å; G181-A185 PolarHBondContact O-N 3.01Å; G181-A185 VanDerWaalsContact O-N 3.13Å; M182-A185 WeakPolarHBondContact O-CB 3.37Å; M182-A185 PolarHBondContact O-N 3.15Å; M182-A185 VanDerWaalsContact O-N 3.16Å; D183-A185 VanDerWaalsContact C-N 3.34Å; A185-C187 PolarHBondContact O-N 2.95Å; A185-L188 PolarHBondContact O-N 3.25Å; A185-L189 WeakPolarHBondContact O-CA 3.13Å; A185-L189 VanDerWaalsContact O-CB 3.26Å; A185-L189 WeakPolarHBondContact O-CB 3.29Å; A185-L189 VanDerWaalsContact O-CD1 3.28Å; A185-L189 WeakPolarHBondContact O-CD1 3.47Å; A185-L189 PolarHBondContact O-N 2.98Å; A185-V198 HydrophobicContact CB-CG1 3.83Å; A185-L203 HydrophobicContact CB-CD1 3.77Å; A185-L203 HydrophobicContact CB-CD2 4.17Å; A185-L205 HydrophobicContact CB-CD1 4.33Å; A185-L205 HydrophobicContact CB-CD2 4.43Å |
| 186 | I | 95.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.4 | -37.7 | 179.7 | -166.7 | 66.1 | 0 | 0 | 0 | 111.5 | R27 P50 A52 M182 D183 L188 A190 M196 | R27-I186 HydrophobicContact CB-CG1 4.48Å; R27-I186 HydrophobicContact CB-CG2 3.53Å; R27-I186 HydrophobicContact CG-CG2 3.7Å; P50-I186 HydrophobicContact CB-CB 4.26Å; P50-I186 HydrophobicContact CB-CD1 4.43Å; P50-I186 HydrophobicContact CB-CG1 4.01Å; P50-I186 HydrophobicContact CB-CG2 4.31Å; P50-I186 HydrophobicContact CG-CB 3.85Å; P50-I186 HydrophobicContact CG-CD1 3.98Å; P50-I186 HydrophobicContact CG-CG1 3.88Å; P50-I186 HydrophobicContact CG-CG2 4.3Å; A52-I186 HydrophobicContact CB-CG1 4.27Å; M182-I186 WeakPolarHBondContact O-CG2 3.47Å; M182-I186 PolarHBondContact O-N 2.85Å; M182-I186 HydrophobicContact SD-CG2 3.91Å; D183-I186 WeakPolarHBondContact O-CG2 3.32Å; I186-L188 VanDerWaalsContact C-N 3.31Å; I186-L188 PolarHBondContact O-N 2.81Å; I186-A190 HydrophobicContact CD1-CB 3.61Å; I186-A190 HydrophobicContact CG1-CB 4.04Å; I186-A190 WeakPolarHBondContact O-CB 3.27Å; I186-A190 PolarHBondContact O-N 3.41Å; I186-M196 HydrophobicContact CD1-CB 3.77Å; I186-M196 HydrophobicContact CD1-CG 3.46Å; I186-M196 VanDerWaalsContact CD1-CG 3.46Å |
| 187 | C | 96.1 | Very high | 90 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 176.8 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | P25 D183 Q184 A185 G451 A452 | P25-C187 WeakPolarHBondContact CD-O 3.28Å; P25-C187 PolarHBondContact O-SG 3.17Å; D183-C187 WeakPolarHBondContact O-CA 3.36Å; D183-C187 WeakPolarHBondContact O-CB 3.42Å; D183-C187 PolarHBondContact O-N 3.07Å; Q184-C187 PolarHBondContact O-N 3.03Å; A185-C187 PolarHBondContact O-N 2.95Å; C187-G451 CarbonylContact O-C 3.6Å; C187-G451 VanDerWaalsContact O-C 3.3Å; C187-G451 WeakPolarHBondContact O-CA 3.47Å; C187-A452 WeakPolarHBondContact O-CB 3.27Å; C187-A452 PolarHBondContact O-N 2.89Å |
| 188 | L | 96.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -91.5 | -28.8 | -174.9 | -67 | 168.4 | 0 | 0 | 0 | 114.1 | C140 L144 R161 L164 A165 Q184 A185 I186 A452 | C140-L188 HydrophobicContact CB-CD2 4.06Å; C140-L188 HydrophobicContact CB-CG 4.27Å; L144-L188 HydrophobicContact CD1-CD2 3.81Å; L144-L188 HydrophobicContact CG-CD2 4.21Å; R161-L188 PolarHBondContact NH1-O 3.25Å; L164-L188 HydrophobicContact CB-CD1 4.16Å; L164-L188 HydrophobicContact CD2-CD1 4.07Å; L164-L188 HydrophobicContact CD2-CD2 4.03Å; L164-L188 HydrophobicContact CG-CD1 3.77Å; A165-L188 HydrophobicContact CB-CD1 3.81Å; Q184-L188 VanDerWaalsContact O-CB 3.3Å; Q184-L188 WeakPolarHBondContact O-CB 2.74Å; Q184-L188 WeakPolarHBondContact O-CG 2.81Å; Q184-L188 PolarHBondContact O-N 2.6Å; A185-L188 PolarHBondContact O-N 3.25Å; I186-L188 VanDerWaalsContact C-N 3.31Å; I186-L188 PolarHBondContact O-N 2.81Å; L188-A452 HydrophobicContact CD2-CB 3.78Å |
| 189 | L | 96.2 | Very high | 92.1 | Very high | 30 Ų | 30 | 22.6 Ų | 22.6 | 16% | 0.157 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -120.2 | 2.1 | -168.9 | -61.6 | 110.2 | 0 | 0 | 0 | 114.7 | R161 Q162 A165 A185 L205 | R161-L189 HydrophobicContact CB-CD1 4.39Å; R161-L189 HydrophobicContact CB-CD2 3.9Å; R161-L189 HydrophobicContact CB-CG 3.91Å; Q162-L189 HydrophobicContact CG-CD2 3.65Å; A165-L189 HydrophobicContact CB-CD1 3.85Å; A185-L189 WeakPolarHBondContact O-CA 3.13Å; A185-L189 VanDerWaalsContact O-CB 3.26Å; A185-L189 WeakPolarHBondContact O-CB 3.29Å; A185-L189 VanDerWaalsContact O-CD1 3.28Å; A185-L189 WeakPolarHBondContact O-CD1 3.47Å; A185-L189 PolarHBondContact O-N 2.98Å; L189-L205 HydrophobicContact CB-CD1 4.02Å; L189-L205 HydrophobicContact CB-CD2 3.61Å; L189-L205 HydrophobicContact CB-CG 4.41Å; L189-L205 HydrophobicContact CD1-CD1 4.06Å; L189-L205 HydrophobicContact CD2-CD1 4.13Å; L189-L205 HydrophobicContact CG-CD1 4.29Å |
| 190 | A | 96.3 | Very high | 92.9 | Very high | 11 Ų | 11 | 23.7 Ų | 23.7 | 9% | 0.091 | 12% | 0.116 | C | C | . | . | trans | -57.4 | 146.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A52 I186 G451 | A52-A190 HydrophobicContact CB-CB 3.4Å; A52-A190 VanDerWaalsContact CB-CB 3.4Å; I186-A190 HydrophobicContact CD1-CB 3.61Å; I186-A190 HydrophobicContact CG1-CB 4.04Å; I186-A190 WeakPolarHBondContact O-CB 3.27Å; I186-A190 PolarHBondContact O-N 3.41Å; A190-G451 PolarHBondContact O-N 3.26Å | ||
| 191 | D | 93.1 | Very high | 93.1 | Very high | 50 Ų | 50 | 30.1 Ų | 30.1 | 27% | 0.267 | 15% | 0.15 | S | C | . | . | trans | -114.6 | 147.8 | 172.2 | -168.1 | 21.1 | 0 | 0 | 0 | 111.1 | T194 M196 R207 | D191-T194 PolarHBondContact O-OG1 3.48Å; D191-M196 HydrophobicContact CB-SD 4.35Å; D191-R207 IonicContact OD2-CZ 2.77Å; D191-R207 IonicContact OD2-NE 3.59Å; D191-R207 PolarHBondContact OD2-NE 3.46Å; D191-R207 IonicContact OD2-NH1 3.51Å; D191-R207 PolarHBondContact OD2-NH1 3.03Å; D191-R207 IonicContact OD2-NH2 2.75Å; D191-R207 PolarHBondContact OD2-NH2 3.35Å | ||
| 192 | K | 90.5 | Very high | 93.1 | Very high | 115 Ų | 115 | 33.1 Ų | 33.1 | 50% | 0.5 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 144.4 | -178.6 | -66.8 | -171.7 | 177 | 178.8 | 0 | 110.3 | T194 A450 | K192-T194 PolarHBondContact O-N 3.05Å; K192-T194 VanDerWaalsContact O-N 3.13Å; K192-A450 HydrophobicContact CD-CB 4.4Å; K192-A450 HydrophobicContact CG-CB 3.65Å |
| 193 | F | 87.9 | Confident | 93.2 | Very high | 160 Ų | 160 | 34 Ų | 34 | 70% | 0.702 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 10.4 | 173 | -41.9 | -64.4 | 0 | 0 | 0 | 115.3 | P448 | F193-P448 PolarHBondContact N-O 3.24Š|
| 194 | T | 92.5 | Very high | 93.2 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 9% | 0.092 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 145.2 | 178 | 59.7 | 0 | 0 | 0 | 0 | 111.6 | D191 K192 P448 | D191-T194 PolarHBondContact O-OG1 3.48Å; K192-T194 PolarHBondContact O-N 3.05Å; K192-T194 VanDerWaalsContact O-N 3.13Å; T194-P448 WeakPolarHBondContact O-CB 3.46Å |
| 195 | A | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 159.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L30 L49 I51 V208 I210 | L30-A195 HydrophobicContact CD1-CB 4.01Å; L49-A195 HydrophobicContact CD1-CB 4.22Å; L49-A195 HydrophobicContact CG-CB 4.21Å; I51-A195 HydrophobicContact CG2-CB 3.56Å; A195-V208 HydrophobicContact CB-CB 4.29Å; A195-V208 PolarHBondContact N-O 3.42Å; A195-V208 PolarHBondContact O-N 2.86Å; A195-I210 HydrophobicContact CB-CD1 3.79Å; A195-I210 HydrophobicContact CB-CG1 4.14Å |
| 196 | M | 95.2 | Very high | 93.1 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.039 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124.3 | 177.5 | -53.7 | -59.7 | -70.3 | 0 | 0 | 108.9 | L49 P50 I186 D191 V198 L205 R207 | L49-M196 WeakPolarHBondContact CA-O 3.41Å; P50-M196 VanDerWaalsContact CD-O 3.28Å; P50-M196 WeakPolarHBondContact CD-O 3.4Å; P50-M196 PolarHBondContact O-N 3.47Å; I186-M196 HydrophobicContact CD1-CB 3.77Å; I186-M196 HydrophobicContact CD1-CG 3.46Å; I186-M196 VanDerWaalsContact CD1-CG 3.46Å; D191-M196 HydrophobicContact CB-SD 4.35Å; M196-V198 HydrophobicContact CB-CG2 4.19Å; M196-V198 PolarHBondContact O-N 3.05Å; M196-L205 HydrophobicContact CB-CB 4.49Å; M196-L205 HydrophobicContact CB-CD2 4.05Å; M196-L205 HydrophobicContact CE-CB 3.6Å; M196-L205 HydrophobicContact CE-CD2 4.18Å; M196-L205 HydrophobicContact CG-CD2 4.24Å; M196-R207 HydrophobicContact CE-CG 3.95Å; M196-R207 HydrophobicContact SD-CG 4Å |
| 197 | L | 95.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 103 | 162.8 | -176.7 | 73.1 | 0 | 0 | 0 | 106.9 | P47 T48 L49 E199 L205 N206 V208 V332 | P47-L197 HydrophobicContact CB-CD1 3.78Å; P47-L197 HydrophobicContact CB-CG 4.22Å; T48-L197 CarbonylContact O-C 3.3Å; T48-L197 VanDerWaalsContact O-CA 3.32Å; T48-L197 WeakPolarHBondContact O-CA 3.35Å; L49-L197 HydrophobicContact CD1-CB 4.13Å; L49-L197 HydrophobicContact CD1-CD1 4.35Å; L197-E199 HydrophobicContact CG-CG 4.36Å; L197-L205 WeakPolarHBondContact O-CA 3.36Å; L197-N206 HydrophobicContact CB-CB 4.19Å; L197-N206 PolarHBondContact N-O 2.98Å; L197-N206 PolarHBondContact O-N 3.49Å; L197-V208 HydrophobicContact CB-CG2 3.98Å; L197-V332 HydrophobicContact CD1-CG1 3.51Å |
| 198 | V | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 120 | 179.6 | -172.8 | 0 | 0 | 0 | 0 | 108 | P47 T48 P50 A185 M196 F200 L203 L205 | P47-V198 CarbonylContact C-O 3.55Å; P47-V198 WeakPolarHBondContact CA-O 3.32Å; P47-V198 WeakPolarHBondContact CB-O 3.34Å; T48-V198 PolarHBondContact N-O 3.2Å; T48-V198 PolarHBondContact O-N 3.16Å; P50-V198 HydrophobicContact CG-CG2 3.74Å; A185-V198 HydrophobicContact CB-CG1 3.83Å; M196-V198 HydrophobicContact CB-CG2 4.19Å; M196-V198 PolarHBondContact O-N 3.05Å; V198-F200 HydrophobicContact CB-CZ 4.12Å; V198-F200 HydrophobicContact CG1-CE1 3.66Å; V198-F200 HydrophobicContact CG1-CE2 4.33Å; V198-F200 HydrophobicContact CG1-CZ 3.53Å; V198-L203 HydrophobicContact CG1-CD1 3.87Å; V198-L205 HydrophobicContact CG1-CG 4.37Å; V198-L205 HydrophobicContact CG2-CD2 4.03Å; V198-L205 HydrophobicContact CG2-CG 4.15Å |
| 199 | E | 93.1 | Very high | 92.9 | Very high | 61 Ų | 61 | 57.3 Ų | 57.3 | 29% | 0.285 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 144.9 | 178 | -63.2 | 174.2 | 93.1 | 0 | 0 | 109.1 | P47 L197 L203 R204 N206 | P47-E199 HydrophobicContact CB-CG 3.93Å; P47-E199 HydrophobicContact CG-CG 3.96Å; L197-E199 HydrophobicContact CG-CG 4.36Å; E199-L203 CarbonylContact O-C 3.27Å; E199-L203 WeakPolarHBondContact O-CA 3.16Å; E199-R204 HydrophobicContact CB-CB 4.35Å; E199-R204 PolarHBondContact N-O 2.95Å; E199-R204 PolarHBondContact O-N 2.81Å; E199-N206 PolarHBondContact OE2-ND2 2.71Å |
| 200 | F | 89.6 | Confident | 92.6 | Very high | 24 Ų | 24 | 56.8 Ų | 56.8 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 152 | -175.8 | -51.2 | -79.8 | 0 | 0 | 0 | 110.5 | D42 Y46 T48 M182 V198 P202 L203 R263 | D42-F200 HydrophobicContact CB-CD1 4.49Å; D42-F200 HydrophobicContact CB-CD2 3.8Å; D42-F200 HydrophobicContact CB-CE1 3.99Å; D42-F200 HydrophobicContact CB-CE2 3.22Å; D42-F200 HydrophobicContact CB-CG 4.42Å; D42-F200 HydrophobicContact CB-CZ 3.34Å; Y46-F200 VanDerWaalsContact O-CD2 3.25Å; Y46-F200 WeakPolarHBondContact O-CD2 3.27Å; Y46-F200 VanDerWaalsContact O-CE2 3.26Å; Y46-F200 WeakPolarHBondContact O-CE2 3.3Å; T48-F200 HydrophobicContact CG2-CE2 4.1Å; M182-F200 HydrophobicContact CB-CE1 4.35Å; M182-F200 HydrophobicContact CB-CZ 3.87Å; V198-F200 HydrophobicContact CB-CZ 4.12Å; V198-F200 HydrophobicContact CG1-CE1 3.66Å; V198-F200 HydrophobicContact CG1-CE2 4.33Å; V198-F200 HydrophobicContact CG1-CZ 3.53Å; F200-P202 CarbonylContact C-O 3.53Å; F200-L203 HydrophobicContact CD1-CD1 4.35Å; F200-L203 HydrophobicContact CE1-CD1 4.41Å; F200-R263 PolarHBondContact O-NH1 3Å |
| 201 | D | 85.6 | Confident | 92.3 | Very high | 139 Ų | 139 | 56.7 Ų | 56.7 | 74% | 0.743 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 74.1 | 176.9 | -163.2 | 23.4 | 0 | 0 | 0 | 114.6 | ||
| 202 | P | 89.4 | Confident | 92.1 | Very high | 73 Ų | 73 | 62.6 Ų | 62.6 | 47% | 0.474 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -83.4 | 160.1 | -1.1 | 34.5 | -36.2 | 0 | 0 | 0 | 112.8 | F200 R204 | F200-P202 CarbonylContact C-O 3.53Å; P202-R204 HydrophobicContact CG-CG 4.47Å; P202-R204 PolarHBondContact O-N 2.75Å |
| 203 | L | 92.6 | Very high | 92 | Very high | 20 Ų | 20 | 57.2 Ų | 57.2 | 11% | 0.105 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 118.2 | 176.9 | -179.9 | 63 | 0 | 0 | 0 | 111.8 | Q162 A165 E166 A185 V198 E199 F200 L205 | Q162-L203 HydrophobicContact CB-CD2 4.36Å; A165-L203 HydrophobicContact CB-CD2 3.73Å; E166-L203 HydrophobicContact CG-CB 4.17Å; E166-L203 HydrophobicContact CG-CD2 3.99Å; E166-L203 WeakPolarHBondContact OE1-CB 3.41Å; A185-L203 HydrophobicContact CB-CD1 3.77Å; A185-L203 HydrophobicContact CB-CD2 4.17Å; V198-L203 HydrophobicContact CG1-CD1 3.87Å; E199-L203 CarbonylContact O-C 3.27Å; E199-L203 WeakPolarHBondContact O-CA 3.16Å; F200-L203 HydrophobicContact CD1-CD1 4.35Å; F200-L203 HydrophobicContact CE1-CD1 4.41Å; L203-L205 HydrophobicContact CD1-CD1 4.17Å; L203-L205 HydrophobicContact CG-CD1 4.19Å |
| 204 | R | 92.8 | Very high | 92.2 | Very high | 154 Ų | 154 | 50.2 Ų | 50.2 | 58% | 0.581 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -137 | 146.6 | 176 | -63.7 | 179.9 | -176.2 | -168.4 | 3.1 | 110.5 | E199 P202 | E199-R204 HydrophobicContact CB-CB 4.35Å; E199-R204 PolarHBondContact N-O 2.95Å; E199-R204 PolarHBondContact O-N 2.81Å; P202-R204 HydrophobicContact CG-CG 4.47Å; P202-R204 PolarHBondContact O-N 2.75Å |
| 205 | L | 94 | Very high | 92.3 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 17% | 0.173 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 119.9 | 175.5 | -67.1 | 87.4 | 0 | 0 | 0 | 109.8 | A185 L189 M196 L197 V198 L203 | A185-L205 HydrophobicContact CB-CD1 4.33Å; A185-L205 HydrophobicContact CB-CD2 4.43Å; L189-L205 HydrophobicContact CB-CD1 4.02Å; L189-L205 HydrophobicContact CB-CD2 3.61Å; L189-L205 HydrophobicContact CB-CG 4.41Å; L189-L205 HydrophobicContact CD1-CD1 4.06Å; L189-L205 HydrophobicContact CD2-CD1 4.13Å; L189-L205 HydrophobicContact CG-CD1 4.29Å; M196-L205 HydrophobicContact CB-CB 4.49Å; M196-L205 HydrophobicContact CB-CD2 4.05Å; M196-L205 HydrophobicContact CE-CB 3.6Å; M196-L205 HydrophobicContact CE-CD2 4.18Å; M196-L205 HydrophobicContact CG-CD2 4.24Å; L197-L205 WeakPolarHBondContact O-CA 3.36Å; V198-L205 HydrophobicContact CG1-CG 4.37Å; V198-L205 HydrophobicContact CG2-CD2 4.03Å; V198-L205 HydrophobicContact CG2-CG 4.15Å; L203-L205 HydrophobicContact CD1-CD1 4.17Å; L203-L205 HydrophobicContact CG-CD1 4.19Å |
| 206 | N | 93.9 | Very high | 92.3 | Very high | 70 Ų | 70 | 50.7 Ų | 50.7 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.8 | 178.1 | -79.5 | -59.7 | 0 | 0 | 0 | 110 | L197 E199 | L197-N206 HydrophobicContact CB-CB 4.19Å; L197-N206 PolarHBondContact N-O 2.98Å; L197-N206 PolarHBondContact O-N 3.49Å; E199-N206 PolarHBondContact OE2-ND2 2.71Å |
| 207 | R | 95.3 | Very high | 92.3 | Very high | 162 Ų | 162 | 50.4 Ų | 50.4 | 61% | 0.611 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 138.2 | -179.3 | -65.9 | 178.6 | -177.2 | 173.1 | -4.7 | 111.2 | D191 M196 | D191-R207 IonicContact OD2-CZ 2.77Å; D191-R207 IonicContact OD2-NE 3.59Å; D191-R207 PolarHBondContact OD2-NE 3.46Å; D191-R207 IonicContact OD2-NH1 3.51Å; D191-R207 PolarHBondContact OD2-NH1 3.03Å; D191-R207 IonicContact OD2-NH2 2.75Å; D191-R207 PolarHBondContact OD2-NH2 3.35Å; M196-R207 HydrophobicContact CE-CG 3.95Å; M196-R207 HydrophobicContact SD-CG 4Å |
| 208 | V | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 110.4 | 171.9 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | L49 A195 L197 I210 C339 | L49-V208 HydrophobicContact CD1-CB 3.98Å; L49-V208 HydrophobicContact CD1-CG1 4.34Å; L49-V208 HydrophobicContact CD1-CG2 3.55Å; A195-V208 HydrophobicContact CB-CB 4.29Å; A195-V208 PolarHBondContact N-O 3.42Å; A195-V208 PolarHBondContact O-N 2.86Å; L197-V208 HydrophobicContact CB-CG2 3.98Å; V208-I210 PolarHBondContact O-N 3.17Å; V208-C339 HydrophobicContact CG1-CB 3.93Å |
| 209 | T | 92.7 | Very high | 92.3 | Very high | 71 Ų | 71 | 50.2 Ų | 50.2 | 44% | 0.436 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 116.8 | 179.3 | -57.9 | 0 | 0 | 0 | 0 | 109.4 | V343 | T209-V343 HydrophobicContact CG2-CG2 3.9Å |
| 210 | I | 91 | Very high | 92.2 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 10% | 0.097 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 127.9 | 173.5 | -59.8 | -56.9 | 0 | 0 | 0 | 108.6 | L30 A195 V208 V214 F216 F335 P448 | L30-I210 HydrophobicContact CD1-CD1 4.05Å; A195-I210 HydrophobicContact CB-CD1 3.79Å; A195-I210 HydrophobicContact CB-CG1 4.14Å; V208-I210 PolarHBondContact O-N 3.17Å; I210-V214 HydrophobicContact CG2-CB 3.73Å; I210-V214 HydrophobicContact CG2-CG1 3.91Å; I210-F216 HydrophobicContact CD1-CE2 4.42Å; I210-F216 HydrophobicContact CG1-CE2 4.41Å; I210-F216 HydrophobicContact CG2-CE2 4.05Å; I210-F216 HydrophobicContact CG2-CZ 4.46Å; I210-F335 HydrophobicContact CD1-CE1 4.26Å; I210-P448 HydrophobicContact CG1-CG 4.41Å |
| 211 | P | 90.1 | Very high | 92.2 | Very high | 10 Ų | 10 | 47.3 Ų | 47.3 | 7% | 0.065 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -58.4 | 142.8 | 177 | -24.9 | 34.8 | 0 | 0 | 0 | 111.8 | S213 V214 C339 A342 V343 | P211-S213 PolarHBondContact O-N 2.91Å; P211-V214 HydrophobicContact CB-CG2 4.01Å; P211-V214 HydrophobicContact CG-CG2 4.21Å; P211-V214 WeakPolarHBondContact O-CB 3.47Å; P211-V214 PolarHBondContact O-N 2.89Å; P211-C339 HydrophobicContact CG-CB 4.47Å; P211-A342 HydrophobicContact CB-CB 4.1Å; P211-A342 HydrophobicContact CG-CB 3.63Å; P211-V343 HydrophobicContact CG-CG2 4.45Å |
| 212 | Q | 88.2 | Confident | 92.1 | Very high | 174 Ų | 174 | 44.3 Ų | 44.3 | 81% | 0.813 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -22.4 | -175.8 | -71 | -177.9 | -16.9 | 0 | 0 | 114.5 | V214 S415 | Q212-V214 VanDerWaalsContact C-N 3.27Å; Q212-S415 WeakPolarHBondContact O-CB 3.29Å; Q212-S415 PolarHBondContact O-OG 3.43Å |
| 213 | S | 88.4 | Confident | 91.8 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -11.9 | 176.8 | 59.4 | 0 | 0 | 0 | 0 | 114.3 | P211 N355 S415 | P211-S213 PolarHBondContact O-N 2.91Å; S213-N355 PolarHBondContact O-ND2 3.26Å; S213-S415 VanDerWaalsContact CA-OG 3.29Å; S213-S415 WeakPolarHBondContact CA-OG 3.44Å; S213-S415 PolarHBondContact O-N 2.68Å; S213-S415 PolarHBondContact O-OG 3.29Å |
| 214 | V | 92.2 | Very high | 91 | Very high | 12 Ų | 12 | 49.5 Ų | 49.5 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125 | -174.1 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | I210 P211 Q212 F216 N355 L358 | I210-V214 HydrophobicContact CG2-CB 3.73Å; I210-V214 HydrophobicContact CG2-CG1 3.91Å; P211-V214 HydrophobicContact CB-CG2 4.01Å; P211-V214 HydrophobicContact CG-CG2 4.21Å; P211-V214 WeakPolarHBondContact O-CB 3.47Å; P211-V214 PolarHBondContact O-N 2.89Å; Q212-V214 VanDerWaalsContact C-N 3.27Å; V214-F216 HydrophobicContact CG1-CE1 3.91Å; V214-F216 HydrophobicContact CG1-CE2 4.05Å; V214-F216 HydrophobicContact CG1-CZ 3.55Å; V214-N355 VanDerWaalsContact CG2-OD1 3.25Å; V214-N355 WeakPolarHBondContact CG2-OD1 3.49Å; V214-L358 HydrophobicContact CG1-CD1 4.25Å; V214-L358 HydrophobicContact CG2-CD1 3.71Å |
| 215 | C | 94.2 | Very high | 89.7 | Confident | 24 Ų | 24 | 42.9 Ų | 42.9 | 16% | 0.162 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 160.5 | 167 | -167.1 | 0 | 0 | 0 | 0 | 109.3 | I413 A418 | C215-I413 HydrophobicContact CB-CG1 3.95Å; C215-I413 PolarHBondContact N-O 2.83Å; C215-I413 PolarHBondContact O-N 3.5Å; C215-I413 VanDerWaalsContact O-O 3.13Å; C215-A418 HydrophobicContact CB-CB 4.38Å |
| 216 | F | 95.8 | Very high | 88 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.2 | 178.3 | -58.3 | -71.6 | 0 | 0 | 0 | 110.4 | L30 I51 I210 V214 F335 V410 A411 N412 C446 | L30-F216 HydrophobicContact CD1-CD2 4.5Å; L30-F216 HydrophobicContact CD1-CE1 4.32Å; L30-F216 HydrophobicContact CD1-CE2 3.67Å; L30-F216 HydrophobicContact CD1-CZ 3.57Å; L30-F216 HydrophobicContact CD2-CD1 3.83Å; L30-F216 HydrophobicContact CD2-CD2 3.98Å; L30-F216 HydrophobicContact CD2-CE1 3.72Å; L30-F216 HydrophobicContact CD2-CE2 3.87Å; L30-F216 HydrophobicContact CD2-CG 3.96Å; L30-F216 HydrophobicContact CD2-CZ 3.75Å; L30-F216 HydrophobicContact CG-CE2 4.44Å; L30-F216 HydrophobicContact CG-CZ 4.25Å; I51-F216 HydrophobicContact CD1-CD2 4.03Å; I210-F216 HydrophobicContact CD1-CE2 4.42Å; I210-F216 HydrophobicContact CG1-CE2 4.41Å; I210-F216 HydrophobicContact CG2-CE2 4.05Å; I210-F216 HydrophobicContact CG2-CZ 4.46Å; V214-F216 HydrophobicContact CG1-CE1 3.91Å; V214-F216 HydrophobicContact CG1-CE2 4.05Å; V214-F216 HydrophobicContact CG1-CZ 3.55Å; F216-F335 HydrophobicContact CE1-CZ 4.48Å; F216-F335 HydrophobicContact CZ-CZ 4.19Å; F216-V410 HydrophobicContact CB-CG2 3.99Å; F216-V410 HydrophobicContact CD1-CG2 4Å; F216-V410 HydrophobicContact CG-CG2 4.26Å; F216-A411 VanDerWaalsContact CA-O 3.3Å; F216-A411 WeakPolarHBondContact CA-O 3.34Å; F216-N412 HydrophobicContact CE1-CB 4.47Å; F216-C446 HydrophobicContact CB-CB 4.36Å; F216-C446 PolarHBondContact O-N 2.63Å |
| 217 | V | 96.2 | Very high | 85.9 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 132.7 | 166 | 58.7 | 0 | 0 | 0 | 0 | 108.7 | V410 A411 I413 V422 I425 L443 F444 | V217-V410 WeakPolarHBondContact O-CA 3.38Å; V217-A411 HydrophobicContact CG1-CB 3.74Å; V217-A411 PolarHBondContact N-O 3.35Å; V217-A411 PolarHBondContact O-N 3.16Å; V217-I413 HydrophobicContact CB-CD1 4.2Å; V217-I413 HydrophobicContact CG1-CD1 4.28Å; V217-I413 HydrophobicContact CG1-CG2 3.85Å; V217-V422 HydrophobicContact CB-CG2 4.1Å; V217-V422 HydrophobicContact CG2-CG2 3.75Å; V217-I425 HydrophobicContact CG1-CD1 4.35Å; V217-L443 HydrophobicContact CG2-CB 4.49Å; V217-F444 WeakPolarHBondContact CA-O 3.29Å |
| 218 | V | 95.4 | Very high | 83.8 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 131.3 | 170.1 | 178.5 | 0 | 0 | 0 | 0 | 107.7 | V28 L132 C408 L409 L443 F444 C446 | V28-V218 HydrophobicContact CG2-CG2 3.46Å; V28-V218 VanDerWaalsContact CG2-CG2 3.46Å; L132-V218 HydrophobicContact CD1-CG1 4.31Å; L132-V218 HydrophobicContact CD2-CG1 3.97Å; V218-C408 HydrophobicContact CG1-CB 3.65Å; V218-L409 CarbonylContact C-O 3.48Å; V218-L409 VanDerWaalsContact CA-O 3.31Å; V218-L409 WeakPolarHBondContact CA-O 3.23Å; V218-L443 CarbonylContact O-C 3.56Å; V218-L443 WeakPolarHBondContact O-CA 3.48Å; V218-L443 VanDerWaalsContact O-CB 3.3Å; V218-L443 WeakPolarHBondContact O-CB 3.43Å; V218-F444 HydrophobicContact CB-CD1 4.31Å; V218-F444 HydrophobicContact CB-CD2 4.33Å; V218-F444 HydrophobicContact CB-CE1 3.84Å; V218-F444 HydrophobicContact CB-CE2 3.87Å; V218-F444 HydrophobicContact CB-CZ 3.61Å; V218-F444 HydrophobicContact CG1-CE1 3.8Å; V218-F444 HydrophobicContact CG1-CE2 4.48Å; V218-F444 HydrophobicContact CG1-CZ 3.73Å; V218-F444 HydrophobicContact CG2-CE2 3.8Å; V218-F444 HydrophobicContact CG2-CZ 3.82Å; V218-F444 PolarHBondContact N-O 3.46Å; V218-F444 PolarHBondContact O-N 3.02Å; V218-C446 HydrophobicContact CG2-CB 3.92Å |
| 219 | C | 94.3 | Very high | 82 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.014 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 118.8 | -179.3 | -167.7 | 0 | 0 | 0 | 0 | 110.3 | L383 L387 C408 L409 L429 L443 | C219-L383 HydrophobicContact CB-CD2 4.4Å; C219-L387 HydrophobicContact CB-CD1 4.14Å; C219-C408 CarbonylContact O-C 3.39Å; C219-C408 VanDerWaalsContact O-CA 3.31Å; C219-C408 WeakPolarHBondContact O-CA 3.48Å; C219-L409 PolarHBondContact N-O 3.47Å; C219-L409 PolarHBondContact O-N 3.39Å; C219-L429 VanDerWaalsContact SG-CD1 3.59Å; C219-L443 HydrophobicContact CB-CB 4.44Å |
| 220 | N | 91.3 | Very high | 80.7 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 10% | 0.102 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 129.1 | -177.9 | -163.9 | -25.3 | 0 | 0 | 0 | 111.1 | M222 G407 D442 | N220-M222 HydrophobicContact CB-SD 4.04Å; N220-M222 PolarHBondContact O-N 3.39Å; N220-M222 WeakPolarHBondContact OD1-CA 3.45Å; N220-M222 PolarHBondContact OD1-N 3.5Å; N220-G407 PolarHBondContact OD1-O 3.24Å; N220-D442 HydrophobicContact CB-CB 3.75Å; N220-D442 WeakPolarHBondContact CB-O 3.29Å; N220-D442 PolarHBondContact N-O 3.33Å; N220-D442 PolarHBondContact ND2-OD2 3.39Å |
| 221 | S | 88 | Confident | 79.8 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | trans | -64.1 | -18.7 | 172.2 | 63.7 | 0 | 0 | 0 | 0 | 112.8 | V223 G407 | S221-V223 PolarHBondContact O-N 3.13Å; S221-V223 PolarHBondContact OG-N 2.78Å; S221-G407 VanDerWaalsContact CB-O 3.29Å; S221-G407 WeakPolarHBondContact CB-O 3.21Å; S221-G407 PolarHBondContact N-O 2.94Å; S221-G407 PolarHBondContact OG-N 3.44Å; S221-G407 PolarHBondContact OG-O 3.09Å | ||
| 222 | M | 85.1 | Confident | 79.4 | Confident | 76 Ų | 76 | 50.9 Ų | 50.9 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 68.7 | 3.3 | -170.6 | -52.1 | -59.5 | -72.3 | 0 | 0 | 114 | N220 T439 D442 | N220-M222 HydrophobicContact CB-SD 4.04Å; N220-M222 PolarHBondContact O-N 3.39Å; N220-M222 WeakPolarHBondContact OD1-CA 3.45Å; N220-M222 PolarHBondContact OD1-N 3.5Å; M222-T439 HydrophobicContact CE-CG2 3.58Å; M222-T439 HydrophobicContact CG-CG2 4.35Å; M222-D442 HydrophobicContact SD-CB 3.9Å |
| 223 | V | 82.5 | Confident | 79.2 | Confident | 41 Ų | 41 | 45.6 Ų | 45.6 | 25% | 0.248 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -86.3 | 118 | 168.5 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | S221 E379 G406 G407 | S221-V223 PolarHBondContact O-N 3.13Å; S221-V223 PolarHBondContact OG-N 2.78Å; V223-E379 HydrophobicContact CG2-CB 3.62Å; V223-E379 HydrophobicContact CG2-CG 3.49Å; V223-E379 VanDerWaalsContact CG2-CG 3.49Å; V223-G406 CarbonylContact O-C 3.6Å; V223-G406 WeakPolarHBondContact O-CA 3.13Å; V223-G407 PolarHBondContact O-N 2.93Å |
| 224 | K | 76.4 | Confident | 78.9 | Confident | 161 Ų | 161 | 45.5 Ų | 45.5 | 70% | 0.7 | 25% | 0.245 | S | C | * | . | P | Polyproline II helix | trans | -81.1 | 130.8 | 169.4 | -67.1 | -179.4 | -179.8 | 176.6 | 0 | 108.2 | A129 E226 | A129-K224 HydrophobicContact CB-CG 4.49Å; K224-E226 PolarHBondContact O-N 2.91Å |
| 225 | S | 65.6 | Low | 78.6 | Confident | 15 Ų | 15 | 47 Ų | 47 | 11% | 0.105 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 128.6 | 165.5 | 59.4 | 0 | 0 | 0 | 0 | 108.9 | K227 | S225-K227 PolarHBondContact O-N 2.94Å; S225-K227 VanDerWaalsContact O-N 3.16Å |
| 226 | E | 58.3 | Low | 78.4 | Confident | 146 Ų | 146 | 47.1 Ų | 47.1 | 68% | 0.682 | 25% | 0.253 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 119.1 | 174.1 | -87.1 | -178.3 | 177.4 | 0 | 0 | 108.3 | K224 G228 S229 S230 | K224-E226 PolarHBondContact O-N 2.91Å; E226-G228 PolarHBondContact O-N 3.07Å; E226-S229 WeakPolarHBondContact CB-OG 3.31Å; E226-S229 PolarHBondContact O-N 3.05Å; E226-S229 PolarHBondContact O-OG 2.75Å; E226-S229 PolarHBondContact OE2-OG 3.46Å; E226-S230 WeakPolarHBondContact O-CB 3.48Å; E226-S230 PolarHBondContact O-N 3.44Å; E226-S230 PolarHBondContact O-OG 3.04Å |
| 227 | K | 48.1 | Very low | 78.2 | Confident | 144 Ų | 144 | 47.6 Ų | 47.6 | 63% | 0.626 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -23.5 | -172.2 | -72.6 | -177.7 | 177.2 | 178 | 0 | 114.7 | S225 K231 | S225-K227 PolarHBondContact O-N 2.94Å; S225-K227 VanDerWaalsContact O-N 3.16Å; K227-K231 VanDerWaalsContact O-CD 3.27Å; K227-K231 WeakPolarHBondContact O-CD 3.27Å; K227-K231 VanDerWaalsContact O-CG 3.24Å; K227-K231 WeakPolarHBondContact O-CG 3.38Å |
| 228 | G | 51.4 | Low | 78 | Confident | 53 Ų | 53 | 47.6 Ų | 47.6 | 55% | 0.546 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -50.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E226 K231 S232 | E226-G228 PolarHBondContact O-N 3.07Å; G228-K231 PolarHBondContact O-N 3.3Å; G228-S232 PolarHBondContact O-N 3.07Å |
| 229 | S | 57.1 | Low | 77.9 | Confident | 52 Ų | 52 | 48.1 Ų | 48.1 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.6 | -42.4 | -178 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | E226 K231 S232 L233 | E226-S229 WeakPolarHBondContact CB-OG 3.31Å; E226-S229 PolarHBondContact O-N 3.05Å; E226-S229 PolarHBondContact O-OG 2.75Å; E226-S229 PolarHBondContact OE2-OG 3.46Å; S229-K231 PolarHBondContact O-N 3.22Å; S229-S232 PolarHBondContact O-N 3.18Å; S229-L233 WeakPolarHBondContact O-CG 3.05Å; S229-L233 PolarHBondContact O-N 3.36Å |
| 230 | S | 64.9 | Low | 77.9 | Confident | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.035 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.9 | -45 | 175 | 55 | 0 | 0 | 0 | 0 | 113 | L36 E226 S232 L233 Y234 | L36-S230 WeakPolarHBondContact CD1-O 3.44Å; E226-S230 WeakPolarHBondContact O-CB 3.48Å; E226-S230 PolarHBondContact O-N 3.44Å; E226-S230 PolarHBondContact O-OG 3.04Å; S230-S232 PolarHBondContact O-N 3.12Å; S230-L233 PolarHBondContact O-N 2.81Å; S230-Y234 VanDerWaalsContact O-CB 3.29Å; S230-Y234 WeakPolarHBondContact O-CB 2.88Å; S230-Y234 PolarHBondContact O-N 3.26Å |
| 231 | K | 72.8 | Confident | 78.1 | Confident | 73 Ų | 73 | 47.1 Ų | 47.1 | 32% | 0.317 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 176.4 | -73.8 | -178.9 | -177.2 | -168.9 | 0 | 112.7 | K227 G228 S229 Y234 N235 | K227-K231 VanDerWaalsContact O-CD 3.27Å; K227-K231 WeakPolarHBondContact O-CD 3.27Å; K227-K231 VanDerWaalsContact O-CG 3.24Å; K227-K231 WeakPolarHBondContact O-CG 3.38Å; G228-K231 PolarHBondContact O-N 3.3Å; S229-K231 PolarHBondContact O-N 3.22Å; K231-Y234 WeakPolarHBondContact O-CB 3.48Å; K231-N235 PolarHBondContact O-N 2.96Å |
| 232 | S | 80.2 | Confident | 78.5 | Confident | 60 Ų | 60 | 49.4 Ų | 49.4 | 42% | 0.42 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.6 | -50.6 | 177 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | G228 S229 S230 Y234 N235 V236 | G228-S232 PolarHBondContact O-N 3.07Å; S229-S232 PolarHBondContact O-N 3.18Å; S230-S232 PolarHBondContact O-N 3.12Å; S232-Y234 VanDerWaalsContact C-N 3.27Å; S232-Y234 PolarHBondContact O-N 3.35Å; S232-N235 PolarHBondContact O-N 3.36Å; S232-V236 WeakPolarHBondContact O-CG2 3.29Å; S232-V236 PolarHBondContact O-N 3.29Å |
| 233 | L | 85.6 | Confident | 79.1 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 33% | 0.33 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.4 | -42.3 | 177.7 | -67.5 | 171.5 | 0 | 0 | 0 | 110.8 | S229 S230 N235 V236 R237 W405 | S229-L233 WeakPolarHBondContact O-CG 3.05Å; S229-L233 PolarHBondContact O-N 3.36Å; S230-L233 PolarHBondContact O-N 2.81Å; L233-N235 PolarHBondContact O-N 3.13Å; L233-V236 WeakPolarHBondContact O-CB 3.41Å; L233-V236 PolarHBondContact O-N 3.44Å; L233-R237 VanDerWaalsContact O-CG 3.28Å; L233-R237 WeakPolarHBondContact O-CG 3.33Å; L233-R237 PolarHBondContact O-N 3.26Å; L233-W405 HydrophobicContact CB-CH2 4.08Å; L233-W405 HydrophobicContact CB-CZ2 3.85Å; L233-W405 HydrophobicContact CD1-CD2 4.2Å; L233-W405 HydrophobicContact CD1-CG 4.27Å; L233-W405 HydrophobicContact CD1-CZ2 4.4Å |
| 234 | Y | 81.5 | Confident | 79.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58 | -48.9 | 173.9 | -177.3 | -94.9 | 0 | 0 | 0 | 114.1 | P35 L36 R38 E39 H40 Y43 T177 G179 S230 K231 S232 V236 R237 V238 | P35-Y234 WeakPolarHBondContact O-CD2 3.46Å; L36-Y234 HydrophobicContact CB-CD2 3.45Å; L36-Y234 VanDerWaalsContact CB-CD2 3.45Å; L36-Y234 HydrophobicContact CB-CE2 3.68Å; L36-Y234 HydrophobicContact CB-CG 4.18Å; L36-Y234 VanDerWaalsContact CD1-CB 3.41Å; L36-Y234 HydrophobicContact CD1-CD2 3.84Å; L36-Y234 HydrophobicContact CD1-CG 3.84Å; L36-Y234 HydrophobicContact CG-CD2 4.17Å; R38-Y234 WeakPolarHBondContact O-CE2 3.3Å; E39-Y234 PolarHBondContact O-OH 3.22Å; H40-Y234 AromaticContact CD2-CD2 3.89Å; H40-Y234 AromaticContact CD2-CE2 3.32Å; H40-Y234 WeakPolarHBondContact CD2-CE2 3.26Å; H40-Y234 AromaticContact CE1-CD2 3.06Å; H40-Y234 WeakPolarHBondContact CE1-CD2 3.41Å; H40-Y234 AromaticContact CE1-CE2 3.19Å; H40-Y234 WeakPolarHBondContact CE1-CE2 3.12Å; H40-Y234 AromaticContact CE1-CG 3.97Å; H40-Y234 AromaticContact CG-CE2 3.66Å; H40-Y234 AromaticContact ND1-CD2 3.8Å; H40-Y234 AromaticContact ND1-CE2 3.5Å; H40-Y234 AromaticContact NE2-CD2 3.18Å; H40-Y234 WeakPolarHBondContact NE2-CD2 3.37Å; H40-Y234 AromaticContact NE2-CE2 3.13Å; H40-Y234 WeakPolarHBondContact NE2-CE2 3.49Å; Y43-Y234 WeakPolarHBondContact CD1-OH 3.49Å; Y43-Y234 HydrophobicContact CE1-CE2 4.43Å; Y43-Y234 AromaticContact CE1-CZ 3.95Å; T177-Y234 HydrophobicContact CG2-CD1 4.01Å; T177-Y234 HydrophobicContact CG2-CE1 3.97Å; G179-Y234 VanDerWaalsContact CA-OH 3.23Å; G179-Y234 WeakPolarHBondContact CA-OH 3.31Å; S230-Y234 VanDerWaalsContact O-CB 3.29Å; S230-Y234 WeakPolarHBondContact O-CB 2.88Å; S230-Y234 PolarHBondContact O-N 3.26Å; K231-Y234 WeakPolarHBondContact O-CB 3.48Å; S232-Y234 VanDerWaalsContact C-N 3.27Å; S232-Y234 PolarHBondContact O-N 3.35Å; Y234-V236 PolarHBondContact O-N 2.92Å; Y234-R237 WeakPolarHBondContact O-CA 3.5Å; Y234-R237 VanDerWaalsContact O-CB 3.29Å; Y234-R237 WeakPolarHBondContact O-CB 3.17Å; Y234-R237 PolarHBondContact O-N 2.93Å; Y234-V238 HydrophobicContact CD1-CG2 3.86Å; Y234-V238 HydrophobicContact CE1-CG2 3.51Å; Y234-V238 WeakPolarHBondContact O-CG2 3.32Å; Y234-V238 PolarHBondContact O-N 3.17Å |
| 235 | N | 86.4 | Confident | 80.9 | Confident | 45 Ų | 45 | 36.2 Ų | 36.2 | 24% | 0.241 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.4 | -31.2 | 179.6 | -72.5 | -17.3 | 0 | 0 | 0 | 110.8 | G176 Q178 K231 S232 L233 T239 | G176-N235 PolarHBondContact O-ND2 2.77Å; Q178-N235 WeakPolarHBondContact CB-OD1 3.39Å; Q178-N235 PolarHBondContact N-OD1 2.85Å; K231-N235 PolarHBondContact O-N 2.96Å; S232-N235 PolarHBondContact O-N 3.36Å; L233-N235 PolarHBondContact O-N 3.13Å; N235-T239 WeakPolarHBondContact O-CB 3.17Å; N235-T239 PolarHBondContact O-N 2.85Å; N235-T239 PolarHBondContact O-OG1 2.99Å |
| 236 | V | 90.5 | Very high | 82.4 | Confident | 25 Ų | 25 | 36.6 Ų | 36.6 | 15% | 0.152 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.1 | -46.6 | 169.3 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | S232 L233 Y234 V238 T239 E240 | S232-V236 WeakPolarHBondContact O-CG2 3.29Å; S232-V236 PolarHBondContact O-N 3.29Å; L233-V236 WeakPolarHBondContact O-CB 3.41Å; L233-V236 PolarHBondContact O-N 3.44Å; Y234-V236 PolarHBondContact O-N 2.92Å; V236-V238 PolarHBondContact O-N 3.44Å; V236-T239 CarbonylContact O-C 3.56Å; V236-T239 WeakPolarHBondContact O-CA 3.26Å; V236-T239 VanDerWaalsContact O-CB 3.31Å; V236-T239 WeakPolarHBondContact O-CB 3.28Å; V236-T239 PolarHBondContact O-N 3.45Å; V236-E240 HydrophobicContact CG1-CG 4.29Å; V236-E240 WeakPolarHBondContact O-CG 3.47Å; V236-E240 PolarHBondContact O-N 2.92Å |
| 237 | R | 91.2 | Very high | 84.3 | Confident | 12 Ų | 12 | 29.6 Ų | 29.6 | 5% | 0.045 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.7 | -42.9 | 176.3 | -72.1 | -45.8 | 175.3 | -111.6 | -10.8 | 113.2 | Y43 L233 Y234 T239 E240 C241 Y373 D374 W405 | Y43-R237 PolarHBondContact OH-O 2.79Å; L233-R237 VanDerWaalsContact O-CG 3.28Å; L233-R237 WeakPolarHBondContact O-CG 3.33Å; L233-R237 PolarHBondContact O-N 3.26Å; Y234-R237 WeakPolarHBondContact O-CA 3.5Å; Y234-R237 VanDerWaalsContact O-CB 3.29Å; Y234-R237 WeakPolarHBondContact O-CB 3.17Å; Y234-R237 PolarHBondContact O-N 2.93Å; R237-T239 VanDerWaalsContact C-N 3.32Å; R237-T239 PolarHBondContact O-N 2.98Å; R237-E240 WeakPolarHBondContact CD-OE2 3.24Å; R237-E240 IonicContact CZ-OE2 3.15Å; R237-E240 IonicContact NE-OE2 2.81Å; R237-E240 IonicContact NH1-OE1 3.24Å; R237-E240 IonicContact NH1-OE2 3.25Å; R237-E240 PolarHBondContact NH1-OE2 3.5Å; R237-E240 PolarHBondContact O-N 3.17Å; R237-C241 PolarHBondContact O-N 3.46Å; R237-C241 VanDerWaalsContact O-N 3.13Å; R237-C241 PolarHBondContact O-SG 2.95Å; R237-Y373 WeakPolarHBondContact CA-OH 3.2Å; R237-Y373 HydrophobicContact CB-CE1 3.63Å; R237-Y373 WeakPolarHBondContact CB-OH 3.48Å; R237-Y373 HydrophobicContact CG-CD1 4.42Å; R237-Y373 HydrophobicContact CG-CE1 3.41Å; R237-Y373 VanDerWaalsContact CG-CE1 3.41Å; R237-Y373 PolarHBondContact NE-O 3.24Å; R237-Y373 VanDerWaalsContact NE-O 3.07Å; R237-Y373 PolarHBondContact O-OH 3.27Å; R237-Y373 VanDerWaalsContact O-OH 3.04Å; R237-D374 IonicContact CZ-OD2 3.74Å; R237-D374 PolarHBondContact NE-O 3.43Å; R237-D374 VanDerWaalsContact NH2-CG 3.29Å; R237-D374 PolarHBondContact NH2-O 3.08Å; R237-D374 IonicContact NH2-OD2 3.61Å; R237-D374 PolarHBondContact NH2-OD2 2.9Å; R237-W405 HydrophobicContact CG-CH2 3.99Å; R237-W405 HydrophobicContact CG-CZ2 4.33Å |
| 238 | V | 90.7 | Very high | 86.7 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.6 | -46.5 | 171.2 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | Y43 Q178 Y234 V236 C241 R242 | Y43-V238 HydrophobicContact CD1-CG2 3.89Å; Y43-V238 HydrophobicContact CD2-CG1 4.44Å; Y43-V238 HydrophobicContact CE1-CB 4.23Å; Y43-V238 HydrophobicContact CE1-CG2 3.29Å; Y43-V238 HydrophobicContact CE2-CB 4.39Å; Y43-V238 HydrophobicContact CE2-CG1 4.37Å; Y43-V238 HydrophobicContact CE2-CG2 4.28Å; Y43-V238 WeakPolarHBondContact OH-CA 3.07Å; Y43-V238 PolarHBondContact OH-N 2.93Å; Q178-V238 HydrophobicContact CB-CG1 4.39Å; Q178-V238 HydrophobicContact CB-CG2 4.35Å; Y234-V238 HydrophobicContact CD1-CG2 3.86Å; Y234-V238 HydrophobicContact CE1-CG2 3.51Å; Y234-V238 WeakPolarHBondContact O-CG2 3.32Å; Y234-V238 PolarHBondContact O-N 3.17Å; V236-V238 PolarHBondContact O-N 3.44Å; V238-C241 PolarHBondContact O-N 3.15Å; V238-R242 HydrophobicContact CG1-CG 4.49Å; V238-R242 WeakPolarHBondContact O-CG 3.36Å; V238-R242 PolarHBondContact O-N 3.42Å |
| 239 | T | 93.2 | Very high | 89 | Confident | 13 Ų | 13 | 20.2 Ų | 20.2 | 8% | 0.08 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63 | -47.7 | -179.2 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | N235 V236 R237 C241 R242 L243 L308 L310 Y316 | N235-T239 WeakPolarHBondContact O-CB 3.17Å; N235-T239 PolarHBondContact O-N 2.85Å; N235-T239 PolarHBondContact O-OG1 2.99Å; V236-T239 CarbonylContact O-C 3.56Å; V236-T239 WeakPolarHBondContact O-CA 3.26Å; V236-T239 VanDerWaalsContact O-CB 3.31Å; V236-T239 WeakPolarHBondContact O-CB 3.28Å; V236-T239 PolarHBondContact O-N 3.45Å; R237-T239 VanDerWaalsContact C-N 3.32Å; R237-T239 PolarHBondContact O-N 2.98Å; T239-C241 VanDerWaalsContact C-N 3.29Å; T239-C241 PolarHBondContact O-N 3.3Å; T239-R242 PolarHBondContact O-N 3.45Å; T239-L243 HydrophobicContact CG2-CD1 3.7Å; T239-L243 HydrophobicContact CG2-CG 4.18Å; T239-L243 WeakPolarHBondContact O-CB 3.31Å; T239-L243 VanDerWaalsContact O-CG 3.25Å; T239-L243 WeakPolarHBondContact O-CG 3.41Å; T239-L243 PolarHBondContact O-N 2.99Å; T239-L308 HydrophobicContact CG2-CB 4.19Å; T239-L308 PolarHBondContact OG1-O 3.14Å; T239-L310 HydrophobicContact CG2-CD2 3.5Å; T239-Y316 HydrophobicContact CG2-CD1 4.3Å; T239-Y316 HydrophobicContact CG2-CE1 3.91Å |
| 240 | E | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.5 | -41.7 | 175.8 | -71.4 | 175.5 | 136.3 | 0 | 0 | 111.7 | V236 R237 A244 Y316 H317 L318 R321 | V236-E240 HydrophobicContact CG1-CG 4.29Å; V236-E240 WeakPolarHBondContact O-CG 3.47Å; V236-E240 PolarHBondContact O-N 2.92Å; R237-E240 WeakPolarHBondContact CD-OE2 3.24Å; R237-E240 IonicContact CZ-OE2 3.15Å; R237-E240 IonicContact NE-OE2 2.81Å; R237-E240 IonicContact NH1-OE1 3.24Å; R237-E240 IonicContact NH1-OE2 3.25Å; R237-E240 PolarHBondContact NH1-OE2 3.5Å; R237-E240 PolarHBondContact O-N 3.17Å; E240-A244 VanDerWaalsContact O-CB 3.24Å; E240-A244 WeakPolarHBondContact O-CB 2.91Å; E240-A244 PolarHBondContact O-N 3.19Å; E240-Y316 HydrophobicContact CG-CD1 4.01Å; E240-H317 IonicContact OE1-CD2 2.82Å; E240-H317 IonicContact OE1-CG 3.45Å; E240-H317 PolarHBondContact OE1-N 3.01Å; E240-L318 HydrophobicContact CB-CD2 4.48Å; E240-L318 VanDerWaalsContact O-CD2 3.32Å; E240-L318 WeakPolarHBondContact O-CD2 3.45Å; E240-R321 HydrophobicContact CB-CB 4.24Å; E240-R321 HydrophobicContact CB-CG 3.55Å; E240-R321 HydrophobicContact CG-CG 4.28Å; E240-R321 IonicContact OE1-NE 2.75Å; E240-R321 IonicContact OE1-NH2 3.56Å; E240-R321 VanDerWaalsContact OE2-CG 3.32Å; E240-R321 WeakPolarHBondContact OE2-CG 3.47Å; E240-R321 IonicContact OE2-CZ 3.41Å; E240-R321 IonicContact OE2-NE 3.81Å; E240-R321 PolarHBondContact OE2-NE 3Å; E240-R321 IonicContact OE2-NH2 3.59Å |
| 241 | C | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.9 | -44.4 | 177.6 | -62.5 | 0 | 0 | 0 | 0 | 112.5 | Y43 N44 R237 V238 T239 A244 A245 L262 Y373 | Y43-C241 HydrophobicContact CE2-CB 3.93Å; Y43-C241 PolarHBondContact OH-SG 3.39Å; N44-C241 PolarHBondContact ND2-SG 2.77Å; N44-C241 WeakPolarHBondContact OD1-CB 3.27Å; R237-C241 PolarHBondContact O-N 3.46Å; R237-C241 VanDerWaalsContact O-N 3.13Å; R237-C241 PolarHBondContact O-SG 2.95Å; V238-C241 PolarHBondContact O-N 3.15Å; T239-C241 VanDerWaalsContact C-N 3.29Å; T239-C241 PolarHBondContact O-N 3.3Å; C241-A244 PolarHBondContact O-N 3.09Å; C241-A245 PolarHBondContact O-N 3.22Å; C241-L262 HydrophobicContact CB-CD1 4.32Å; C241-Y373 PolarHBondContact SG-OH 3.24Å |
| 242 | R | 95.9 | Very high | 93.7 | Very high | 53 Ų | 53 | 20.7 Ų | 20.7 | 20% | 0.2 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.7 | -40.9 | 178.1 | -69.8 | 175 | -179.9 | 169.3 | 1 | 111.3 | V238 T239 A245 K246 L308 | V238-R242 HydrophobicContact CG1-CG 4.49Å; V238-R242 WeakPolarHBondContact O-CG 3.36Å; V238-R242 PolarHBondContact O-N 3.42Å; T239-R242 PolarHBondContact O-N 3.45Å; R242-A245 PolarHBondContact O-N 3.46Å; R242-K246 WeakPolarHBondContact O-CG 3.31Å; R242-K246 PolarHBondContact O-N 3.17Å; R242-K246 VanDerWaalsContact O-N 3.08Å; R242-L308 HydrophobicContact CB-CD1 4.42Å; R242-L308 HydrophobicContact CB-CD2 3.86Å; R242-L308 HydrophobicContact CG-CD2 4.25Å |
| 243 | L | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64 | -45.6 | 174.1 | -73.4 | 172.2 | 0 | 0 | 0 | 111.2 | T239 A245 K246 V247 I294 L305 L308 L310 Y316 L318 | T239-L243 HydrophobicContact CG2-CD1 3.7Å; T239-L243 HydrophobicContact CG2-CG 4.18Å; T239-L243 WeakPolarHBondContact O-CB 3.31Å; T239-L243 VanDerWaalsContact O-CG 3.25Å; T239-L243 WeakPolarHBondContact O-CG 3.41Å; T239-L243 PolarHBondContact O-N 2.99Å; L243-A245 VanDerWaalsContact C-N 3.3Å; L243-A245 PolarHBondContact O-N 3.34Å; L243-K246 PolarHBondContact O-N 2.6Å; L243-K246 VanDerWaalsContact O-N 3.11Å; L243-V247 WeakPolarHBondContact O-CB 3.44Å; L243-V247 WeakPolarHBondContact O-CG2 3.39Å; L243-V247 PolarHBondContact O-N 3.35Å; L243-I294 HydrophobicContact CD1-CD1 3.98Å; L243-I294 HydrophobicContact CD2-CG2 3.95Å; L243-L305 HydrophobicContact CD2-CD1 4.16Å; L243-L308 HydrophobicContact CD2-CD1 3.68Å; L243-L308 HydrophobicContact CG-CD1 4.03Å; L243-L310 HydrophobicContact CD1-CD2 3.85Å; L243-L310 HydrophobicContact CD2-CD2 4.25Å; L243-L310 HydrophobicContact CG-CD2 4.38Å; L243-Y316 HydrophobicContact CD1-CD1 3.65Å; L243-Y316 HydrophobicContact CD1-CD2 4.24Å; L243-Y316 HydrophobicContact CD1-CE1 4.02Å; L243-Y316 HydrophobicContact CD1-CG 3.78Å; L243-L318 HydrophobicContact CB-CD1 4.42Å; L243-L318 HydrophobicContact CB-CD2 3.52Å; L243-L318 HydrophobicContact CD1-CD2 4.35Å |
| 244 | A | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.8 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | E240 C241 K246 L248 L262 L284 L318 A322 | E240-A244 VanDerWaalsContact O-CB 3.24Å; E240-A244 WeakPolarHBondContact O-CB 2.91Å; E240-A244 PolarHBondContact O-N 3.19Å; C241-A244 PolarHBondContact O-N 3.09Å; A244-K246 PolarHBondContact O-N 3.24Å; A244-L248 WeakPolarHBondContact O-CB 3.34Å; A244-L248 PolarHBondContact O-N 3.22Å; A244-L262 HydrophobicContact CB-CD2 4.36Å; A244-L284 HydrophobicContact CB-CD1 4.29Å; A244-L318 HydrophobicContact CB-CB 3.84Å; A244-L318 HydrophobicContact CB-CD2 4.29Å; A244-A322 HydrophobicContact CB-CB 3.9Å |
| 245 | A | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C241 R242 L243 S249 V259 L262 | C241-A245 PolarHBondContact O-N 3.22Å; R242-A245 PolarHBondContact O-N 3.46Å; L243-A245 VanDerWaalsContact C-N 3.3Å; L243-A245 PolarHBondContact O-N 3.34Å; A245-S249 WeakPolarHBondContact O-CB 2.94Å; A245-S249 PolarHBondContact O-N 3.45Å; A245-S249 PolarHBondContact O-OG 3.01Å; A245-V259 HydrophobicContact CB-CG1 4.06Å; A245-L262 HydrophobicContact CB-CD2 3.86Å; A245-L262 HydrophobicContact CB-CG 4.2Å |
| 246 | K | 98.2 | Very high | 96.2 | Very high | 23 Ų | 23 | 26 Ų | 26 | 10% | 0.1 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.5 | -49.2 | 179.8 | -71 | 177.8 | -176.7 | -54.2 | 0 | 112.7 | R242 L243 A244 S249 K250 W256 V259 L298 L305 | R242-K246 WeakPolarHBondContact O-CG 3.31Å; R242-K246 PolarHBondContact O-N 3.17Å; R242-K246 VanDerWaalsContact O-N 3.08Å; L243-K246 PolarHBondContact O-N 2.6Å; L243-K246 VanDerWaalsContact O-N 3.11Å; A244-K246 PolarHBondContact O-N 3.24Å; K246-S249 VanDerWaalsContact O-CB 3.31Å; K246-S249 WeakPolarHBondContact O-CB 3.3Å; K246-S249 PolarHBondContact O-N 2.91Å; K246-K250 PolarHBondContact O-N 3.41Å; K246-W256 HydrophobicContact CB-CB 4.34Å; K246-W256 HydrophobicContact CB-CE3 4.24Å; K246-W256 HydrophobicContact CD-CE3 3.87Å; K246-W256 HydrophobicContact CD-CZ3 4.09Å; K246-W256 HydrophobicContact CG-CE3 4.04Å; K246-W256 WeakPolarHBondContact O-CB 3.47Å; K246-V259 PolarHBondContact NZ-O 2.63Å; K246-L298 HydrophobicContact CB-CD1 4.3Å; K246-L298 HydrophobicContact CB-CD2 4.2Å; K246-L305 HydrophobicContact CD-CD2 4.02Å |
| 247 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.9 | -49.2 | 179.8 | 170.1 | 0 | 0 | 0 | 0 | 110.2 | L243 S249 K250 L251 L284 I294 I297 L298 L318 | L243-V247 WeakPolarHBondContact O-CB 3.44Å; L243-V247 WeakPolarHBondContact O-CG2 3.39Å; L243-V247 PolarHBondContact O-N 3.35Å; V247-S249 VanDerWaalsContact C-N 3.3Å; V247-S249 PolarHBondContact O-N 3.19Å; V247-K250 PolarHBondContact O-N 3.17Å; V247-K250 VanDerWaalsContact O-N 3.16Å; V247-L251 HydrophobicContact CG1-CD1 3.94Å; V247-L251 HydrophobicContact CG1-CG 4.45Å; V247-L251 WeakPolarHBondContact O-CG 3.45Å; V247-L251 PolarHBondContact O-N 3.11Å; V247-L284 HydrophobicContact CB-CD2 4.49Å; V247-L284 HydrophobicContact CG1-CD2 3.74Å; V247-I294 HydrophobicContact CG2-CG2 4.13Å; V247-I297 HydrophobicContact CG1-CD1 4.05Å; V247-I297 HydrophobicContact CG1-CG2 4.1Å; V247-L298 HydrophobicContact CG2-CD2 4.31Å; V247-L298 HydrophobicContact CG2-CG 4.38Å; V247-L318 HydrophobicContact CB-CD1 4.09Å; V247-L318 HydrophobicContact CG1-CD1 4.32Å; V247-L318 HydrophobicContact CG2-CD1 3.78Å |
| 248 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64 | -35.4 | 178.2 | -172.1 | 56.9 | 0 | 0 | 0 | 112 | A244 L252 L265 V280 Y283 L284 | A244-L248 WeakPolarHBondContact O-CB 3.34Å; A244-L248 PolarHBondContact O-N 3.22Å; L248-L252 HydrophobicContact CD1-CD1 3.86Å; L248-L252 HydrophobicContact CD1-CG 4.21Å; L248-L252 HydrophobicContact CG-CD1 3.85Å; L248-L252 WeakPolarHBondContact O-CB 3.29Å; L248-L252 VanDerWaalsContact O-CG 3.28Å; L248-L252 WeakPolarHBondContact O-CG 3.32Å; L248-L252 PolarHBondContact O-N 3.35Å; L248-L265 HydrophobicContact CB-CD2 3.74Å; L248-L265 HydrophobicContact CD2-CD2 3.67Å; L248-L265 HydrophobicContact CG-CD2 3.72Å; L248-V280 HydrophobicContact CD2-CG2 4Å; L248-Y283 HydrophobicContact CD1-CD2 4.45Å; L248-Y283 HydrophobicContact CD1-CG 4.17Å; L248-L284 HydrophobicContact CB-CD2 4.35Å; L248-L284 HydrophobicContact CD1-CD2 4.49Å; L248-L284 HydrophobicContact CD1-CG 4.36Å |
| 249 | S | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.1 | -49.1 | 172.2 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | A245 K246 V247 L252 N253 L254 V259 L265 | A245-S249 WeakPolarHBondContact O-CB 2.94Å; A245-S249 PolarHBondContact O-N 3.45Å; A245-S249 PolarHBondContact O-OG 3.01Å; K246-S249 VanDerWaalsContact O-CB 3.31Å; K246-S249 WeakPolarHBondContact O-CB 3.3Å; K246-S249 PolarHBondContact O-N 2.91Å; V247-S249 VanDerWaalsContact C-N 3.3Å; V247-S249 PolarHBondContact O-N 3.19Å; S249-L252 CarbonylContact O-C 3.59Å; S249-L252 PolarHBondContact O-N 3.22Å; S249-N253 PolarHBondContact O-N 2.86Å; S249-L254 WeakPolarHBondContact O-CB 3.45Å; S249-L254 PolarHBondContact O-N 3.15Å; S249-V259 WeakPolarHBondContact OG-CB 3.48Å; S249-V259 WeakPolarHBondContact OG-CG1 2.86Å; S249-V259 VanDerWaalsContact OG-CG2 3.28Å; S249-V259 WeakPolarHBondContact OG-CG2 3.07Å; S249-L265 WeakPolarHBondContact OG-CD1 3.47Å |
| 250 | K | 98.2 | Very high | 96.8 | Very high | 52 Ų | 52 | 36.1 Ų | 36.1 | 23% | 0.226 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -45.1 | -178.4 | 176.7 | 68.7 | 178.4 | -169.5 | 0 | 111.5 | K246 V247 L252 N253 W256 I297 L298 E299 | K246-K250 PolarHBondContact O-N 3.41Å; V247-K250 PolarHBondContact O-N 3.17Å; V247-K250 VanDerWaalsContact O-N 3.16Å; K250-L252 PolarHBondContact O-N 3.26Å; K250-N253 PolarHBondContact O-N 3.27Å; K250-W256 HydrophobicContact CB-CB 4.38Å; K250-W256 HydrophobicContact CB-CG 4.47Å; K250-I297 VanDerWaalsContact CE-O 3.24Å; K250-I297 WeakPolarHBondContact CE-O 3.24Å; K250-I297 HydrophobicContact CG-CG2 4.18Å; K250-I297 WeakPolarHBondContact CG-O 3.39Å; K250-L298 HydrophobicContact CB-CD2 3.82Å; K250-L298 HydrophobicContact CG-CD2 4.35Å; K250-E299 IonicContact NZ-OE1 2.7Å; K250-E299 PolarHBondContact NZ-OE1 2.99Å; K250-E299 IonicContact NZ-OE2 3.68Å; K250-E299 PolarHBondContact NZ-OE2 3.32Å |
| 251 | L | 98.1 | Very high | 96.8 | Very high | 60 Ų | 60 | 37 Ų | 37 | 31% | 0.314 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.2 | -28.1 | 177 | -67.4 | 174.7 | 0 | 0 | 0 | 112.7 | V247 N253 Y283 L284 I297 | V247-L251 HydrophobicContact CG1-CD1 3.94Å; V247-L251 HydrophobicContact CG1-CG 4.45Å; V247-L251 WeakPolarHBondContact O-CG 3.45Å; V247-L251 PolarHBondContact O-N 3.11Å; L251-N253 VanDerWaalsContact C-N 3.34Å; L251-Y283 HydrophobicContact CB-CD1 4.14Å; L251-Y283 VanDerWaalsContact CD1-O 3.25Å; L251-Y283 WeakPolarHBondContact CD1-O 3.38Å; L251-L284 HydrophobicContact CD1-CD2 4.07Å; L251-I297 HydrophobicContact CD2-CG2 3.91Å; L251-I297 HydrophobicContact CG-CG2 4.08Å |
| 252 | L | 97.8 | Very high | 96.9 | Very high | 28 Ų | 28 | 37 Ų | 37 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 14.6 | 175 | -66 | 171 | 0 | 0 | 0 | 113.6 | L248 S249 K250 L254 L269 L279 Y283 | L248-L252 HydrophobicContact CD1-CD1 3.86Å; L248-L252 HydrophobicContact CD1-CG 4.21Å; L248-L252 HydrophobicContact CG-CD1 3.85Å; L248-L252 WeakPolarHBondContact O-CB 3.29Å; L248-L252 VanDerWaalsContact O-CG 3.28Å; L248-L252 WeakPolarHBondContact O-CG 3.32Å; L248-L252 PolarHBondContact O-N 3.35Å; S249-L252 CarbonylContact O-C 3.59Å; S249-L252 PolarHBondContact O-N 3.22Å; K250-L252 PolarHBondContact O-N 3.26Å; L252-L254 VanDerWaalsContact C-N 3.32Å; L252-L254 PolarHBondContact O-N 2.83Å; L252-L269 HydrophobicContact CB-CD2 4.06Å; L252-L269 HydrophobicContact CD1-CD1 3.58Å; L252-L269 HydrophobicContact CD1-CD2 3.93Å; L252-L269 HydrophobicContact CD1-CG 4.39Å; L252-L279 HydrophobicContact CD1-CD1 4.15Å; L252-L279 HydrophobicContact CD2-CD2 4.45Å; L252-Y283 HydrophobicContact CD2-CD1 4.31Å; L252-Y283 HydrophobicContact CD2-CD2 3.9Å; L252-Y283 HydrophobicContact CD2-CE1 3.93Å; L252-Y283 HydrophobicContact CD2-CE2 3.52Å; L252-Y283 HydrophobicContact CD2-CG 4.29Å |
| 253 | N | 96.8 | Very high | 96.9 | Very high | 154 Ų | 154 | 37 Ų | 37 | 82% | 0.824 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 32.4 | 178 | -55.6 | -71.1 | 0 | 0 | 0 | 114.8 | S249 K250 L251 | S249-N253 PolarHBondContact O-N 2.86Å; K250-N253 PolarHBondContact O-N 3.27Å; L251-N253 VanDerWaalsContact C-N 3.34Å |
| 254 | L | 97 | Very high | 96.8 | Very high | 43 Ų | 43 | 38.8 Ų | 38.8 | 23% | 0.225 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -101.8 | 150.2 | 170.9 | -70.6 | -178.2 | 0 | 0 | 0 | 111.8 | S249 L252 W256 L265 K268 L269 | S249-L254 WeakPolarHBondContact O-CB 3.45Å; S249-L254 PolarHBondContact O-N 3.15Å; L252-L254 VanDerWaalsContact C-N 3.32Å; L252-L254 PolarHBondContact O-N 2.83Å; L254-W256 PolarHBondContact O-N 2.85Å; L254-L265 HydrophobicContact CD1-CD1 4.02Å; L254-K268 HydrophobicContact CD1-CB 4.02Å; L254-L269 HydrophobicContact CD1-CD2 3.44Å; L254-L269 VanDerWaalsContact CD1-CD2 3.44Å; L254-L269 HydrophobicContact CD1-CG 3.61Å; L254-L269 HydrophobicContact CG-CD2 4.12Å |
| 255 | P | 96.4 | Very high | 96.7 | Very high | 72 Ų | 72 | 38.8 Ų | 38.8 | 47% | 0.468 | 21% | 0.205 | S | C | . | . | trans | -68.6 | 94.4 | 174.6 | 28.7 | -34.2 | 0 | 0 | 0 | 110.6 | Q257 T258 | P255-Q257 PolarHBondContact O-N 3.4Å; P255-Q257 VanDerWaalsContact O-N 3.15Å; P255-T258 HydrophobicContact CB-CG2 4.3Å; P255-T258 HydrophobicContact CG-CG2 4.33Å; P255-T258 PolarHBondContact O-N 3.1Å; P255-T258 PolarHBondContact O-OG1 3.37Å | ||
| 256 | W | 96.5 | Very high | 96.7 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -60 | -24.7 | -174.2 | 66.6 | -102.2 | 0 | 0 | 0 | 113.8 | K246 K250 L254 T258 V259 L298 C300 A304 L305 | K246-W256 HydrophobicContact CB-CB 4.34Å; K246-W256 HydrophobicContact CB-CE3 4.24Å; K246-W256 HydrophobicContact CD-CE3 3.87Å; K246-W256 HydrophobicContact CD-CZ3 4.09Å; K246-W256 HydrophobicContact CG-CE3 4.04Å; K246-W256 WeakPolarHBondContact O-CB 3.47Å; K250-W256 HydrophobicContact CB-CB 4.38Å; K250-W256 HydrophobicContact CB-CG 4.47Å; L254-W256 PolarHBondContact O-N 2.85Å; W256-T258 PolarHBondContact O-N 3.31Å; W256-V259 PolarHBondContact O-N 3.43Å; W256-V259 VanDerWaalsContact O-N 3.08Å; W256-L298 HydrophobicContact CB-CD2 4.27Å; W256-L298 HydrophobicContact CD2-CD2 3.97Å; W256-L298 HydrophobicContact CE3-CD1 4.48Å; W256-L298 HydrophobicContact CG-CD2 3.82Å; W256-L298 HydrophobicContact CZ2-CB 4.22Å; W256-L298 PolarHBondContact NE1-O 3.49Å; W256-C300 HydrophobicContact CH2-CB 4.3Å; W256-C300 HydrophobicContact CZ2-CB 3.81Å; W256-A304 HydrophobicContact CH2-CB 4.07Å; W256-L305 HydrophobicContact CH2-CD2 4.26Å; W256-L305 HydrophobicContact CZ3-CD2 3.96Å |
| 257 | Q | 95.2 | Very high | 96.6 | Very high | 117 Ų | 117 | 44.1 Ų | 44.1 | 55% | 0.547 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -61.9 | -27.5 | 176.9 | -60.3 | 84.2 | -7.5 | 0 | 0 | 111.8 | P255 V259 | P255-Q257 PolarHBondContact O-N 3.4Å; P255-Q257 VanDerWaalsContact O-N 3.15Å; Q257-V259 VanDerWaalsContact C-N 3.32Å |
| 258 | T | 94.6 | Very high | 96.5 | Very high | 71 Ų | 71 | 48.5 Ų | 48.5 | 44% | 0.436 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -88.2 | -0.1 | 179.7 | 73 | 0 | 0 | 0 | 0 | 113.4 | P255 W256 K268 | P255-T258 HydrophobicContact CB-CG2 4.3Å; P255-T258 HydrophobicContact CG-CG2 4.33Å; P255-T258 PolarHBondContact O-N 3.1Å; P255-T258 PolarHBondContact O-OG1 3.37Å; W256-T258 PolarHBondContact O-N 3.31Å; T258-K268 VanDerWaalsContact CB-NZ 3.32Å; T258-K268 WeakPolarHBondContact O-CE 3.44Å; T258-K268 PolarHBondContact O-NZ 2.87Å; T258-K268 VanDerWaalsContact O-NZ 3.09Å; T258-K268 PolarHBondContact OG1-NZ 3.37Å |
| 259 | V | 95.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -111.6 | 121.4 | -176.8 | -175 | 0 | 0 | 0 | 0 | 109 | A245 K246 S249 W256 Q257 D264 L265 K268 | A245-V259 HydrophobicContact CB-CG1 4.06Å; K246-V259 PolarHBondContact NZ-O 2.63Å; S249-V259 WeakPolarHBondContact OG-CB 3.48Å; S249-V259 WeakPolarHBondContact OG-CG1 2.86Å; S249-V259 VanDerWaalsContact OG-CG2 3.28Å; S249-V259 WeakPolarHBondContact OG-CG2 3.07Å; W256-V259 PolarHBondContact O-N 3.43Å; W256-V259 VanDerWaalsContact O-N 3.08Å; Q257-V259 VanDerWaalsContact C-N 3.32Å; V259-D264 HydrophobicContact CG1-CB 4.04Å; V259-L265 HydrophobicContact CG1-CB 3.83Å; V259-K268 HydrophobicContact CG2-CD 3.57Å | ||
| 260 | T | 93.1 | Very high | 96.4 | Very high | 75 Ų | 75 | 61.3 Ų | 61.3 | 46% | 0.46 | 30% | 0.3 | S | S | . | . | trans | -106.8 | -43.2 | 178.4 | -50.9 | 0 | 0 | 0 | 0 | 110.8 | D264 | T260-D264 WeakPolarHBondContact CA-OD2 3.05Å; T260-D264 VanDerWaalsContact CB-OD2 3.29Å; T260-D264 WeakPolarHBondContact CB-OD2 3.41Å; T260-D264 PolarHBondContact N-OD2 3.22Å | ||
| 261 | T | 95.1 | Very high | 96.4 | Very high | 17 Ų | 17 | 62.9 Ų | 62.9 | 10% | 0.104 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -116.9 | 162.8 | -173.7 | 76.9 | 0 | 0 | 0 | 0 | 113 | Y43 N44 R263 D264 L265 | Y43-T261 VanDerWaalsContact O-CG2 3.24Å; Y43-T261 WeakPolarHBondContact O-CG2 3.26Å; N44-T261 WeakPolarHBondContact O-CB 3.28Å; N44-T261 PolarHBondContact O-OG1 3.25Å; T261-R263 PolarHBondContact O-N 3.03Å; T261-R263 PolarHBondContact OG1-N 2.52Å; T261-D264 PolarHBondContact N-OD2 3.21Å; T261-D264 WeakPolarHBondContact O-CB 3.34Å; T261-D264 PolarHBondContact O-N 3.01Å; T261-D264 PolarHBondContact OG1-N 3.21Å; T261-D264 PolarHBondContact OG1-OD1 3.48Å; T261-D264 PolarHBondContact OG1-OD2 2.83Å; T261-L265 PolarHBondContact O-N 3.37Å |
| 262 | L | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.4 | -28.7 | 173.5 | -72 | 170.7 | 0 | 0 | 0 | 112.7 | N44 Y46 C241 A244 A245 Q266 A322 V325 Y326 | N44-L262 HydrophobicContact CB-CB 4.4Å; N44-L262 WeakPolarHBondContact OD1-CD1 3.48Å; N44-L262 WeakPolarHBondContact OD1-CG 3.04Å; Y46-L262 HydrophobicContact CE2-CB 4.28Å; C241-L262 HydrophobicContact CB-CD1 4.32Å; A244-L262 HydrophobicContact CB-CD2 4.36Å; A245-L262 HydrophobicContact CB-CD2 3.86Å; A245-L262 HydrophobicContact CB-CG 4.2Å; L262-Q266 PolarHBondContact O-N 3.18Å; L262-A322 HydrophobicContact CD1-CB 4.11Å; L262-A322 HydrophobicContact CD2-CB 3.96Å; L262-V325 HydrophobicContact CB-CG1 4.39Å; L262-V325 HydrophobicContact CD1-CB 3.7Å; L262-V325 HydrophobicContact CD1-CG1 3.73Å; L262-V325 HydrophobicContact CD1-CG2 3.95Å; L262-Y326 HydrophobicContact CB-CE1 3.96Å; L262-Y326 HydrophobicContact CD2-CE2 4.03Å; L262-Y326 WeakPolarHBondContact CD2-OH 3.1Å; L262-Y326 PolarHBondContact O-OH 3.31Å |
| 263 | R | 95.4 | Very high | 96.2 | Very high | 53 Ų | 53 | 64 Ų | 64 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70 | -43.6 | 170.8 | -178.6 | 177.4 | 166.8 | -157.3 | -13.3 | 112 | N44 G45 Y46 F200 T261 L265 Q266 E267 | N44-R263 WeakPolarHBondContact O-CB 3.35Å; N44-R263 PolarHBondContact O-N 2.86Å; N44-R263 VanDerWaalsContact O-N 3.1Å; G45-R263 WeakPolarHBondContact O-CD 3.41Å; G45-R263 PolarHBondContact O-NH1 3.45Å; Y46-R263 HydrophobicContact CD1-CB 4.48Å; Y46-R263 HydrophobicContact CD2-CB 4.21Å; Y46-R263 HydrophobicContact CE1-CB 4.12Å; Y46-R263 HydrophobicContact CE1-CG 4.16Å; Y46-R263 HydrophobicContact CE2-CB 3.83Å; Y46-R263 WeakPolarHBondContact OH-CA 3.45Å; F200-R263 PolarHBondContact O-NH1 3Å; T261-R263 PolarHBondContact O-N 3.03Å; T261-R263 PolarHBondContact OG1-N 2.52Å; R263-L265 PolarHBondContact O-N 3.43Å; R263-Q266 WeakPolarHBondContact O-CB 3.29Å; R263-Q266 PolarHBondContact O-N 3.17Å; R263-E267 HydrophobicContact CG-CG 4.27Å; R263-E267 IonicContact CZ-OE1 3.27Å; R263-E267 IonicContact NE-OE1 2.59Å; R263-E267 PolarHBondContact NE-OE1 3.48Å; R263-E267 IonicContact NH2-OE1 2.6Å; R263-E267 PolarHBondContact NH2-OE1 3.28Å; R263-E267 WeakPolarHBondContact O-CG 3.16Å; R263-E267 PolarHBondContact O-N 3.39Å |
| 264 | D | 95.4 | Very high | 96.2 | Very high | 39 Ų | 39 | 64.4 Ų | 64.4 | 21% | 0.209 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.7 | -41.9 | 176.4 | -58.4 | -9 | 0 | 0 | 0 | 110.5 | V259 T260 T261 E267 K268 | V259-D264 HydrophobicContact CG1-CB 4.04Å; T260-D264 WeakPolarHBondContact CA-OD2 3.05Å; T260-D264 VanDerWaalsContact CB-OD2 3.29Å; T260-D264 WeakPolarHBondContact CB-OD2 3.41Å; T260-D264 PolarHBondContact N-OD2 3.22Å; T261-D264 PolarHBondContact N-OD2 3.21Å; T261-D264 WeakPolarHBondContact O-CB 3.34Å; T261-D264 PolarHBondContact O-N 3.01Å; T261-D264 PolarHBondContact OG1-N 3.21Å; T261-D264 PolarHBondContact OG1-OD1 3.48Å; T261-D264 PolarHBondContact OG1-OD2 2.83Å; D264-E267 PolarHBondContact O-N 3.15Å; D264-K268 WeakPolarHBondContact O-CB 3.4Å; D264-K268 WeakPolarHBondContact O-CD 3.34Å; D264-K268 VanDerWaalsContact O-CG 3.29Å; D264-K268 WeakPolarHBondContact O-CG 3.43Å; D264-K268 PolarHBondContact O-N 2.88Å |
| 265 | L | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.9 | -50.9 | 176.3 | 174.7 | 55 | 0 | 0 | 0 | 111.3 | L248 S249 L254 V259 T261 R263 E267 K268 L269 M276 | L248-L265 HydrophobicContact CB-CD2 3.74Å; L248-L265 HydrophobicContact CD2-CD2 3.67Å; L248-L265 HydrophobicContact CG-CD2 3.72Å; S249-L265 WeakPolarHBondContact OG-CD1 3.47Å; L254-L265 HydrophobicContact CD1-CD1 4.02Å; V259-L265 HydrophobicContact CG1-CB 3.83Å; T261-L265 PolarHBondContact O-N 3.37Å; R263-L265 PolarHBondContact O-N 3.43Å; L265-E267 VanDerWaalsContact C-N 3.31Å; L265-E267 PolarHBondContact O-N 2.92Å; L265-K268 PolarHBondContact O-N 3.32Å; L265-L269 HydrophobicContact CD1-CD1 3.52Å; L265-L269 HydrophobicContact CD1-CG 3.82Å; L265-L269 HydrophobicContact CG-CD1 3.8Å; L265-L269 HydrophobicContact CG-CG 4.49Å; L265-L269 WeakPolarHBondContact O-CB 3.25Å; L265-L269 WeakPolarHBondContact O-CG 3.27Å; L265-L269 PolarHBondContact O-N 3.08Å; L265-M276 HydrophobicContact CD2-CE 4.37Å; L265-M276 HydrophobicContact CG-CE 4.18Å |
| 266 | Q | 97.1 | Very high | 96.3 | Very high | 31 Ų | 31 | 61.6 Ų | 61.6 | 15% | 0.145 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.7 | -48 | 177.7 | -177.6 | -158.1 | -17.9 | 0 | 0 | 111.2 | Y46 L262 R263 L269 R270 K271 M276 | Y46-Q266 WeakPolarHBondContact OH-CB 3.42Å; Y46-Q266 PolarHBondContact OH-OE1 3.05Å; L262-Q266 PolarHBondContact O-N 3.18Å; R263-Q266 WeakPolarHBondContact O-CB 3.29Å; R263-Q266 PolarHBondContact O-N 3.17Å; Q266-L269 PolarHBondContact O-N 2.83Å; Q266-R270 PolarHBondContact O-N 2.97Å; Q266-K271 VanDerWaalsContact CG-O 3.3Å; Q266-K271 WeakPolarHBondContact CG-O 3.31Å; Q266-K271 PolarHBondContact NE2-O 2.56Å; Q266-K271 PolarHBondContact O-N 2.66Å; Q266-M276 HydrophobicContact CB-CE 4.29Å; Q266-M276 HydrophobicContact CB-CG 4.14Å; Q266-M276 HydrophobicContact CB-SD 4.08Å; Q266-M276 HydrophobicContact CG-CG 3.81Å; Q266-M276 HydrophobicContact CG-SD 3.95Å |
| 267 | E | 96.1 | Very high | 96.4 | Very high | 104 Ų | 104 | 61.4 Ų | 61.4 | 49% | 0.486 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | -178 | -70.4 | -176.4 | 176.6 | 0 | 0 | 111.7 | R263 D264 L265 R270 | R263-E267 HydrophobicContact CG-CG 4.27Å; R263-E267 IonicContact CZ-OE1 3.27Å; R263-E267 IonicContact NE-OE1 2.59Å; R263-E267 PolarHBondContact NE-OE1 3.48Å; R263-E267 IonicContact NH2-OE1 2.6Å; R263-E267 PolarHBondContact NH2-OE1 3.28Å; R263-E267 WeakPolarHBondContact O-CG 3.16Å; R263-E267 PolarHBondContact O-N 3.39Å; D264-E267 PolarHBondContact O-N 3.15Å; L265-E267 VanDerWaalsContact C-N 3.31Å; L265-E267 PolarHBondContact O-N 2.92Å; E267-R270 PolarHBondContact O-N 2.9Å; E267-R270 VanDerWaalsContact O-N 3.11Å |
| 268 | K | 97.2 | Very high | 96.5 | Very high | 91 Ų | 91 | 60.9 Ų | 60.9 | 40% | 0.396 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.4 | -35.9 | 177.1 | -74.8 | 165.5 | -174.1 | -86.9 | 0 | 113.1 | L254 T258 V259 D264 L265 R270 | L254-K268 HydrophobicContact CD1-CB 4.02Å; T258-K268 VanDerWaalsContact CB-NZ 3.32Å; T258-K268 WeakPolarHBondContact O-CE 3.44Å; T258-K268 PolarHBondContact O-NZ 2.87Å; T258-K268 VanDerWaalsContact O-NZ 3.09Å; T258-K268 PolarHBondContact OG1-NZ 3.37Å; V259-K268 HydrophobicContact CG2-CD 3.57Å; D264-K268 WeakPolarHBondContact O-CB 3.4Å; D264-K268 WeakPolarHBondContact O-CD 3.34Å; D264-K268 VanDerWaalsContact O-CG 3.29Å; D264-K268 WeakPolarHBondContact O-CG 3.43Å; D264-K268 PolarHBondContact O-N 2.88Å; L265-K268 PolarHBondContact O-N 3.32Å; K268-R270 PolarHBondContact O-N 2.84Å |
| 269 | L | 97.3 | Very high | 96.7 | Very high | 39 Ų | 39 | 58.6 Ų | 58.6 | 20% | 0.204 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.6 | -17.6 | 172.1 | -72.4 | 168.1 | 0 | 0 | 0 | 112.6 | L252 L254 L265 Q266 K271 M276 L279 | L252-L269 HydrophobicContact CB-CD2 4.06Å; L252-L269 HydrophobicContact CD1-CD1 3.58Å; L252-L269 HydrophobicContact CD1-CD2 3.93Å; L252-L269 HydrophobicContact CD1-CG 4.39Å; L254-L269 HydrophobicContact CD1-CD2 3.44Å; L254-L269 VanDerWaalsContact CD1-CD2 3.44Å; L254-L269 HydrophobicContact CD1-CG 3.61Å; L254-L269 HydrophobicContact CG-CD2 4.12Å; L265-L269 HydrophobicContact CD1-CD1 3.52Å; L265-L269 HydrophobicContact CD1-CG 3.82Å; L265-L269 HydrophobicContact CG-CD1 3.8Å; L265-L269 HydrophobicContact CG-CG 4.49Å; L265-L269 WeakPolarHBondContact O-CB 3.25Å; L265-L269 WeakPolarHBondContact O-CG 3.27Å; L265-L269 PolarHBondContact O-N 3.08Å; Q266-L269 PolarHBondContact O-N 2.83Å; L269-K271 HydrophobicContact CB-CB 4.2Å; L269-K271 HydrophobicContact CB-CG 3.75Å; L269-K271 PolarHBondContact O-N 3.42Å; L269-M276 HydrophobicContact CD1-CE 3.83Å; L269-M276 HydrophobicContact CD1-SD 4.27Å; L269-L279 HydrophobicContact CD1-CD1 4.07Å |
| 270 | R | 97 | Very high | 96.8 | Very high | 231 Ų | 231 | 58.6 Ų | 58.6 | 87% | 0.872 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 42.7 | -173.3 | -55.7 | 178.8 | 179 | 178.4 | -0.7 | 111.8 | Q266 E267 K268 | Q266-R270 PolarHBondContact O-N 2.97Å; E267-R270 PolarHBondContact O-N 2.9Å; E267-R270 VanDerWaalsContact O-N 3.11Å; K268-R270 PolarHBondContact O-N 2.84Å |
| 271 | K | 97 | Very high | 97.1 | Very high | 84 Ų | 84 | 61.4 Ų | 61.4 | 37% | 0.365 | 27% | 0.267 | S | S | . | . | trans | -104.2 | 150.4 | -178.7 | -74 | -72.9 | -176.1 | -177.8 | 0 | 111.4 | Q266 L269 E275 M276 L279 | Q266-K271 VanDerWaalsContact CG-O 3.3Å; Q266-K271 WeakPolarHBondContact CG-O 3.31Å; Q266-K271 PolarHBondContact NE2-O 2.56Å; Q266-K271 PolarHBondContact O-N 2.66Å; L269-K271 HydrophobicContact CB-CB 4.2Å; L269-K271 HydrophobicContact CB-CG 3.75Å; L269-K271 PolarHBondContact O-N 3.42Å; K271-E275 HydrophobicContact CD-CB 4.28Å; K271-E275 VanDerWaalsContact CD-CD 3.41Å; K271-E275 HydrophobicContact CD-CG 4.5Å; K271-E275 VanDerWaalsContact CD-OE1 3.23Å; K271-E275 WeakPolarHBondContact CD-OE1 3.24Å; K271-E275 VanDerWaalsContact CD-OE2 3.24Å; K271-E275 WeakPolarHBondContact CD-OE2 3.39Å; K271-E275 IonicContact NZ-OE1 3.27Å; K271-E275 PolarHBondContact NZ-OE1 2.73Å; K271-M276 HydrophobicContact CB-SD 3.82Å; K271-L279 HydrophobicContact CG-CD1 4.42Å | ||
| 272 | E | 96.9 | Very high | 97.2 | Very high | 92 Ų | 92 | 66.6 Ų | 66.6 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | trans | -72.8 | 147.9 | 170.3 | -63.9 | 178 | 136.8 | 0 | 0 | 110 | R274 E275 | E272-R274 HydrophobicContact CB-CG 4.04Å; E272-R274 PolarHBondContact O-N 3.11Å; E272-R274 VanDerWaalsContact O-N 3.1Å; E272-R274 IonicContact OE1-CZ 3.98Å; E272-R274 IonicContact OE1-NH2 2.82Å; E272-R274 PolarHBondContact OE1-NH2 2.69Å; E272-R274 IonicContact OE2-CZ 3.64Å; E272-R274 IonicContact OE2-NE 2.77Å; E272-R274 PolarHBondContact OE2-NE 3.32Å; E272-R274 IonicContact OE2-NH2 3.5Å; E272-R274 PolarHBondContact OE2-NH2 3.36Å; E272-E275 HydrophobicContact CB-CG 4.3Å; E272-E275 PolarHBondContact N-OE2 2.89Å; E272-E275 WeakPolarHBondContact O-CB 3.41Å; E272-E275 PolarHBondContact O-N 2.8Å | ||
| 273 | L | 95.2 | Very high | 97.3 | Very high | 20 Ų | 20 | 70.8 Ų | 70.8 | 11% | 0.105 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -55.3 | -35 | -178.7 | 179.1 | 59.8 | 0 | 0 | 0 | 112.4 | Y46 E275 M276 P277 Y326 S329 L330 | Y46-L273 HydrophobicContact CE1-CD1 3.79Å; L273-E275 PolarHBondContact O-N 2.99Å; L273-M276 PolarHBondContact O-N 2.92Å; L273-P277 WeakPolarHBondContact O-CD 3.49Å; L273-Y326 HydrophobicContact CD1-CD1 3.76Å; L273-Y326 HydrophobicContact CD1-CG 4.5Å; L273-S329 WeakPolarHBondContact CD2-OG 3.3Å; L273-L330 HydrophobicContact CB-CD2 4.19Å; L273-L330 HydrophobicContact CD2-CD2 3.72Å; L273-L330 HydrophobicContact CD2-CG 3.92Å; L273-L330 HydrophobicContact CG-CD2 3.7Å; L273-L330 HydrophobicContact CG-CG 3.87Å |
| 274 | R | 96.7 | Very high | 97.5 | Very high | 162 Ų | 162 | 68.5 Ų | 68.5 | 61% | 0.611 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -65.4 | -21 | 177.2 | 65.9 | 177.9 | 171.6 | -136.5 | 1.5 | 114.5 | E272 L330 | E272-R274 HydrophobicContact CB-CG 4.04Å; E272-R274 PolarHBondContact O-N 3.11Å; E272-R274 VanDerWaalsContact O-N 3.1Å; E272-R274 IonicContact OE1-CZ 3.98Å; E272-R274 IonicContact OE1-NH2 2.82Å; E272-R274 PolarHBondContact OE1-NH2 2.69Å; E272-R274 IonicContact OE2-CZ 3.64Å; E272-R274 IonicContact OE2-NE 2.77Å; E272-R274 PolarHBondContact OE2-NE 3.32Å; E272-R274 IonicContact OE2-NH2 3.5Å; E272-R274 PolarHBondContact OE2-NH2 3.36Å; R274-L330 HydrophobicContact CB-CD2 4.47Å |
| 275 | E | 98.1 | Very high | 97.6 | Very high | 56 Ų | 56 | 70.1 Ų | 70.1 | 26% | 0.262 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -82.7 | -24.3 | 177.5 | -61.6 | 177.6 | 86.9 | 0 | 0 | 111.5 | K271 E272 L273 I278 L279 | K271-E275 HydrophobicContact CD-CB 4.28Å; K271-E275 VanDerWaalsContact CD-CD 3.41Å; K271-E275 HydrophobicContact CD-CG 4.5Å; K271-E275 VanDerWaalsContact CD-OE1 3.23Å; K271-E275 WeakPolarHBondContact CD-OE1 3.24Å; K271-E275 VanDerWaalsContact CD-OE2 3.24Å; K271-E275 WeakPolarHBondContact CD-OE2 3.39Å; K271-E275 IonicContact NZ-OE1 3.27Å; K271-E275 PolarHBondContact NZ-OE1 2.73Å; E272-E275 HydrophobicContact CB-CG 4.3Å; E272-E275 PolarHBondContact N-OE2 2.89Å; E272-E275 WeakPolarHBondContact O-CB 3.41Å; E272-E275 PolarHBondContact O-N 2.8Å; L273-E275 PolarHBondContact O-N 2.99Å; E275-I278 WeakPolarHBondContact O-CB 3.37Å; E275-I278 PolarHBondContact O-N 2.96Å; E275-I278 VanDerWaalsContact O-N 3.1Å; E275-L279 PolarHBondContact O-N 3.47Å |
| 276 | M | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.9 | -43.3 | -173.5 | -59.9 | -53.3 | -62.2 | 0 | 0 | 113.8 | L265 Q266 L269 K271 L273 I278 L279 V280 Y326 | L265-M276 HydrophobicContact CD2-CE 4.37Å; L265-M276 HydrophobicContact CG-CE 4.18Å; Q266-M276 HydrophobicContact CB-CE 4.29Å; Q266-M276 HydrophobicContact CB-CG 4.14Å; Q266-M276 HydrophobicContact CB-SD 4.08Å; Q266-M276 HydrophobicContact CG-CG 3.81Å; Q266-M276 HydrophobicContact CG-SD 3.95Å; L269-M276 HydrophobicContact CD1-CE 3.83Å; L269-M276 HydrophobicContact CD1-SD 4.27Å; K271-M276 HydrophobicContact CB-SD 3.82Å; L273-M276 PolarHBondContact O-N 2.92Å; M276-I278 PolarHBondContact O-N 3.16Å; M276-I278 VanDerWaalsContact O-N 3.17Å; M276-L279 HydrophobicContact CE-CD1 4.27Å; M276-L279 PolarHBondContact O-N 3.36Å; M276-L279 VanDerWaalsContact O-N 3.11Å; M276-L279 HydrophobicContact SD-CD1 3.98Å; M276-V280 WeakPolarHBondContact O-CG2 3.4Å; M276-V280 PolarHBondContact O-N 3.08Å; M276-Y326 HydrophobicContact CB-CD1 3.57Å; M276-Y326 HydrophobicContact CB-CD2 3.68Å; M276-Y326 HydrophobicContact CB-CE1 3.72Å; M276-Y326 HydrophobicContact CB-CE2 3.83Å; M276-Y326 HydrophobicContact CB-CG 3.56Å; M276-Y326 HydrophobicContact CE-CE1 4.07Å; M276-Y326 HydrophobicContact CE-CE2 4.11Å; M276-Y326 VanDerWaalsContact CE-OH 3.26Å; M276-Y326 WeakPolarHBondContact CE-OH 3.48Å; M276-Y326 HydrophobicContact CG-CD1 4.02Å; M276-Y326 HydrophobicContact CG-CE1 3.85Å; M276-Y326 HydrophobicContact CG-CG 4.49Å |
| 277 | P | 98 | Very high | 97.6 | Very high | 8 Ų | 8 | 81.5 Ų | 81.5 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.2 | -25.2 | 173.2 | -27.7 | 36.7 | 0 | 0 | 0 | 114.4 | L273 R281 L323 E327 L330 | L273-P277 WeakPolarHBondContact O-CD 3.49Å; P277-R281 WeakPolarHBondContact O-CG 3.48Å; P277-R281 PolarHBondContact O-N 3.16Å; P277-R281 PolarHBondContact O-NH1 3.26Å; P277-L323 HydrophobicContact CB-CD1 3.71Å; P277-E327 HydrophobicContact CB-CG 4.34Å; P277-E327 HydrophobicContact CG-CG 4.07Å; P277-L330 HydrophobicContact CG-CD1 4.32Å |
| 278 | I | 98.4 | Very high | 97.6 | Very high | 106 Ų | 106 | 78.5 Ų | 78.5 | 54% | 0.544 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -74.2 | -45.4 | 176.4 | -55.9 | 172.9 | 0 | 0 | 0 | 109.1 | E275 M276 V280 R281 Q282 | E275-I278 WeakPolarHBondContact O-CB 3.37Å; E275-I278 PolarHBondContact O-N 2.96Å; E275-I278 VanDerWaalsContact O-N 3.1Å; M276-I278 PolarHBondContact O-N 3.16Å; M276-I278 VanDerWaalsContact O-N 3.17Å; I278-V280 VanDerWaalsContact C-N 3.34Å; I278-V280 PolarHBondContact O-N 2.94Å; I278-R281 PolarHBondContact O-N 2.89Å; I278-Q282 WeakPolarHBondContact O-CB 3.3Å; I278-Q282 PolarHBondContact O-N 3.01Å |
| 279 | L | 98.5 | Very high | 97.7 | Very high | 23 Ų | 23 | 74.3 Ų | 74.3 | 12% | 0.12 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.5 | -41 | 176.7 | -62.6 | 178.2 | 0 | 0 | 0 | 111.8 | L252 L269 K271 E275 M276 R281 Q282 Y283 | L252-L279 HydrophobicContact CD1-CD1 4.15Å; L252-L279 HydrophobicContact CD2-CD2 4.45Å; L269-L279 HydrophobicContact CD1-CD1 4.07Å; K271-L279 HydrophobicContact CG-CD1 4.42Å; E275-L279 PolarHBondContact O-N 3.47Å; M276-L279 HydrophobicContact CE-CD1 4.27Å; M276-L279 PolarHBondContact O-N 3.36Å; M276-L279 VanDerWaalsContact O-N 3.11Å; M276-L279 HydrophobicContact SD-CD1 3.98Å; L279-R281 PolarHBondContact O-N 2.84Å; L279-Q282 PolarHBondContact O-N 2.81Å; L279-Y283 HydrophobicContact CB-CD2 4.46Å; L279-Y283 HydrophobicContact CD2-CD2 4.34Å; L279-Y283 HydrophobicContact CD2-CE2 3.93Å; L279-Y283 WeakPolarHBondContact O-CB 3.47Å; L279-Y283 VanDerWaalsContact O-CD2 3.32Å; L279-Y283 WeakPolarHBondContact O-CD2 3.35Å; L279-Y283 PolarHBondContact O-N 3.14Å |
| 280 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.3 | -51.9 | 176 | 170.3 | 0 | 0 | 0 | 0 | 111 | L248 M276 I278 Q282 Y283 L284 H319 A322 L323 Y326 | L248-V280 HydrophobicContact CD2-CG2 4Å; M276-V280 WeakPolarHBondContact O-CG2 3.4Å; M276-V280 PolarHBondContact O-N 3.08Å; I278-V280 VanDerWaalsContact C-N 3.34Å; I278-V280 PolarHBondContact O-N 2.94Å; V280-Q282 VanDerWaalsContact C-N 3.25Å; V280-Q282 PolarHBondContact O-N 2.84Å; V280-Y283 PolarHBondContact O-N 2.81Å; V280-L284 HydrophobicContact CG1-CD1 4.31Å; V280-L284 WeakPolarHBondContact O-CB 3.11Å; V280-L284 PolarHBondContact O-N 3.5Å; V280-H319 WeakPolarHBondContact CG1-O 3.19Å; V280-A322 HydrophobicContact CG1-CB 4.21Å; V280-A322 HydrophobicContact CG2-CB 3.79Å; V280-L323 HydrophobicContact CG1-CB 3.95Å; V280-Y326 HydrophobicContact CG2-CD2 3.69Å; V280-Y326 HydrophobicContact CG2-CE2 3.61Å |
| 281 | R | 98.5 | Very high | 97.4 | Very high | 133 Ų | 133 | 66 Ų | 66 | 50% | 0.502 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.1 | -28.5 | 179.5 | -69.6 | 179.5 | -176.3 | 96.3 | -3.7 | 113.7 | P277 I278 L279 E327 | P277-R281 WeakPolarHBondContact O-CG 3.48Å; P277-R281 PolarHBondContact O-N 3.16Å; P277-R281 PolarHBondContact O-NH1 3.26Å; I278-R281 PolarHBondContact O-N 2.89Å; L279-R281 PolarHBondContact O-N 2.84Å; R281-E327 IonicContact CZ-OE1 2.72Å; R281-E327 IonicContact NH1-OE1 2.91Å; R281-E327 IonicContact NH2-OE1 2.6Å; R281-E327 PolarHBondContact NH2-OE1 2.95Å |
| 282 | Q | 98.2 | Very high | 97.3 | Very high | 127 Ų | 127 | 66.3 Ų | 66.3 | 59% | 0.593 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -81 | -35.8 | -178.7 | -178.5 | 178.2 | -2.1 | 0 | 0 | 112.7 | I278 L279 V280 | I278-Q282 WeakPolarHBondContact O-CB 3.3Å; I278-Q282 PolarHBondContact O-N 3.01Å; L279-Q282 PolarHBondContact O-N 2.81Å; V280-Q282 VanDerWaalsContact C-N 3.25Å; V280-Q282 PolarHBondContact O-N 2.84Å |
| 283 | Y | 98.4 | Very high | 97.3 | Very high | 87 Ų | 87 | 65.2 Ų | 65.2 | 34% | 0.341 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -112.7 | -23.4 | -167.9 | -71.1 | -86.5 | 0 | 0 | 0 | 114.2 | L248 L251 L252 L279 V280 | L248-Y283 HydrophobicContact CD1-CD2 4.45Å; L248-Y283 HydrophobicContact CD1-CG 4.17Å; L251-Y283 HydrophobicContact CB-CD1 4.14Å; L251-Y283 VanDerWaalsContact CD1-O 3.25Å; L251-Y283 WeakPolarHBondContact CD1-O 3.38Å; L252-Y283 HydrophobicContact CD2-CD1 4.31Å; L252-Y283 HydrophobicContact CD2-CD2 3.9Å; L252-Y283 HydrophobicContact CD2-CE1 3.93Å; L252-Y283 HydrophobicContact CD2-CE2 3.52Å; L252-Y283 HydrophobicContact CD2-CG 4.29Å; L279-Y283 HydrophobicContact CB-CD2 4.46Å; L279-Y283 HydrophobicContact CD2-CD2 4.34Å; L279-Y283 HydrophobicContact CD2-CE2 3.93Å; L279-Y283 WeakPolarHBondContact O-CB 3.47Å; L279-Y283 VanDerWaalsContact O-CD2 3.32Å; L279-Y283 WeakPolarHBondContact O-CD2 3.35Å; L279-Y283 PolarHBondContact O-N 3.14Å; V280-Y283 PolarHBondContact O-N 2.81Å |
| 284 | L | 98.5 | Very high | 97.4 | Very high | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -105.6 | 123.7 | 176.2 | -56.2 | -177.2 | 0 | 0 | 0 | 109.6 | A244 V247 L248 L251 V280 Y289 L318 H319 A322 | A244-L284 HydrophobicContact CB-CD1 4.29Å; V247-L284 HydrophobicContact CB-CD2 4.49Å; V247-L284 HydrophobicContact CG1-CD2 3.74Å; L248-L284 HydrophobicContact CB-CD2 4.35Å; L248-L284 HydrophobicContact CD1-CD2 4.49Å; L248-L284 HydrophobicContact CD1-CG 4.36Å; L251-L284 HydrophobicContact CD1-CD2 4.07Å; V280-L284 HydrophobicContact CG1-CD1 4.31Å; V280-L284 WeakPolarHBondContact O-CB 3.11Å; V280-L284 PolarHBondContact O-N 3.5Å; L284-Y289 VanDerWaalsContact CA-OH 3.25Å; L284-Y289 WeakPolarHBondContact CA-OH 3.18Å; L284-L318 HydrophobicContact CD1-CB 4.26Å; L284-H319 HydrophobicContact CB-CB 3.9Å; L284-H319 PolarHBondContact O-CD2 3.04Å; L284-A322 HydrophobicContact CD1-CB 4.32Å |
| 285 | H | 98 | Very high | 97.3 | Very high | 73 Ų | 73 | 58.1 Ų | 58.1 | 34% | 0.338 | 29% | 0.285 | S | S | . | . | trans | -70.1 | 155.4 | 168.9 | 66.5 | 70.9 | 0 | 0 | 0 | 112.2 | E287 Y289 E293 H319 | H285-E287 PolarHBondContact CE1-O 2.95Å; H285-E287 PolarHBondContact ND1-N 3.38Å; H285-E287 PolarHBondContact ND1-O 3.01Å; H285-Y289 AromaticContact CD2-CE1 3.77Å; H285-Y289 AromaticContact CD2-CZ 3.44Å; H285-Y289 VanDerWaalsContact CD2-CZ 3.44Å; H285-Y289 PolarHBondContact CD2-OH 3.36Å; H285-Y289 VanDerWaalsContact CD2-OH 3.23Å; H285-Y289 AromaticContact CE1-CD1 3.96Å; H285-Y289 AromaticContact CE1-CD2 3.56Å; H285-Y289 AromaticContact CE1-CE1 3.75Å; H285-Y289 AromaticContact CE1-CE2 3.29Å; H285-Y289 WeakPolarHBondContact CE1-CE2 3.48Å; H285-Y289 AromaticContact CE1-CG 3.88Å; H285-Y289 AromaticContact CE1-CZ 3.38Å; H285-Y289 AromaticContact CG-CZ 3.77Å; H285-Y289 PolarHBondContact N-OH 3.09Å; H285-Y289 AromaticContact ND1-CE2 3.53Å; H285-Y289 AromaticContact ND1-CZ 3.72Å; H285-Y289 AromaticContact NE2-CD1 3.66Å; H285-Y289 AromaticContact NE2-CE1 3.21Å; H285-Y289 WeakPolarHBondContact NE2-CE1 3.49Å; H285-Y289 AromaticContact NE2-CE2 3.62Å; H285-Y289 AromaticContact NE2-CZ 3.17Å; H285-Y289 WeakPolarHBondContact O-CE2 3.46Å; H285-E293 IonicContact CD2-OE1 3.21Å; H285-E293 IonicContact CE1-OE2 3.72Å; H285-E293 IonicContact NE2-OE1 2.7Å; H285-E293 PolarHBondContact NE2-OE1 3.13Å; H285-E293 IonicContact NE2-OE2 3.72Å; H285-H319 WeakPolarHBondContact O-CB 3.28Å | ||
| 286 | E | 97.5 | Very high | 97.3 | Very high | 134 Ų | 134 | 58 Ų | 58 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -75.4 | -26.4 | -175.2 | -60.6 | -171.2 | -179.4 | 0 | 0 | 113.8 | ||
| 287 | E | 97.3 | Very high | 97.3 | Very high | 136 Ų | 136 | 59.8 Ų | 59.8 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -63.8 | 150.7 | 179.5 | -62.7 | -55.8 | 143.3 | 0 | 0 | 111.8 | H285 Y289 | H285-E287 PolarHBondContact CE1-O 2.95Å; H285-E287 PolarHBondContact ND1-N 3.38Å; H285-E287 PolarHBondContact ND1-O 3.01Å; E287-Y289 WeakPolarHBondContact O-CD2 3.21Å; E287-Y289 PolarHBondContact O-N 2.97Å |
| 288 | P | 96.9 | Very high | 97.2 | Very high | 42 Ų | 42 | 59.5 Ų | 59.5 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 135.3 | 174.8 | -6.2 | 16.5 | 0 | 0 | 0 | 111.4 | S315 | P288-S315 WeakPolarHBondContact CB-OG 3.26Š|
| 289 | Y | 97.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 138.1 | 177.2 | -70.4 | -110.6 | 0 | 0 | 0 | 109.5 | L284 H285 E287 E293 I294 I297 Y316 L318 | L284-Y289 VanDerWaalsContact CA-OH 3.25Å; L284-Y289 WeakPolarHBondContact CA-OH 3.18Å; H285-Y289 AromaticContact CD2-CE1 3.77Å; H285-Y289 AromaticContact CD2-CZ 3.44Å; H285-Y289 VanDerWaalsContact CD2-CZ 3.44Å; H285-Y289 PolarHBondContact CD2-OH 3.36Å; H285-Y289 VanDerWaalsContact CD2-OH 3.23Å; H285-Y289 AromaticContact CE1-CD1 3.96Å; H285-Y289 AromaticContact CE1-CD2 3.56Å; H285-Y289 AromaticContact CE1-CE1 3.75Å; H285-Y289 AromaticContact CE1-CE2 3.29Å; H285-Y289 WeakPolarHBondContact CE1-CE2 3.48Å; H285-Y289 AromaticContact CE1-CG 3.88Å; H285-Y289 AromaticContact CE1-CZ 3.38Å; H285-Y289 AromaticContact CG-CZ 3.77Å; H285-Y289 PolarHBondContact N-OH 3.09Å; H285-Y289 AromaticContact ND1-CE2 3.53Å; H285-Y289 AromaticContact ND1-CZ 3.72Å; H285-Y289 AromaticContact NE2-CD1 3.66Å; H285-Y289 AromaticContact NE2-CE1 3.21Å; H285-Y289 WeakPolarHBondContact NE2-CE1 3.49Å; H285-Y289 AromaticContact NE2-CE2 3.62Å; H285-Y289 AromaticContact NE2-CZ 3.17Å; H285-Y289 WeakPolarHBondContact O-CE2 3.46Å; E287-Y289 WeakPolarHBondContact O-CD2 3.21Å; E287-Y289 PolarHBondContact O-N 2.97Å; Y289-E293 HydrophobicContact CD1-CG 4.09Å; Y289-I294 HydrophobicContact CD1-CG1 4.33Å; Y289-I297 HydrophobicContact CD1-CD1 4.39Å; Y289-I297 HydrophobicContact CE1-CD1 4.04Å; Y289-Y316 PolarHBondContact N-O 3.04Å; Y289-Y316 PolarHBondContact O-N 3.15Å; Y289-L318 HydrophobicContact CD1-CD1 3.87Å; Y289-L318 HydrophobicContact CD2-CB 3.87Å; Y289-L318 HydrophobicContact CD2-CD1 3.83Å; Y289-L318 HydrophobicContact CD2-CG 3.59Å; Y289-L318 HydrophobicContact CE1-CD1 4.19Å; Y289-L318 HydrophobicContact CE2-CB 3.88Å; Y289-L318 HydrophobicContact CE2-CD1 4.18Å; Y289-L318 HydrophobicContact CE2-CG 4.07Å; Y289-L318 HydrophobicContact CG-CD1 3.68Å; Y289-L318 HydrophobicContact CG-CG 3.86Å |
| 290 | V | 95.6 | Very high | 97 | Very high | 74 Ų | 74 | 61.7 Ų | 61.7 | 45% | 0.448 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 156.8 | 168.2 | -64.6 | 0 | 0 | 0 | 0 | 110.5 | S292 E293 I294 | V290-S292 VanDerWaalsContact C-N 3.31Å; V290-S292 WeakPolarHBondContact CG2-OG 3.27Å; V290-S292 PolarHBondContact O-N 3.37Å; V290-E293 HydrophobicContact CG2-CB 3.92Å; V290-E293 WeakPolarHBondContact O-CB 3.12Å; V290-E293 PolarHBondContact O-N 2.98Å; V290-I294 PolarHBondContact O-N 2.75Å |
| 291 | Q | 94.2 | Very high | 96.7 | Very high | 21 Ų | 21 | 68 Ų | 68 | 10% | 0.098 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.9 | -41.3 | -177.7 | -178.8 | 172.2 | -24.6 | 0 | 0 | 113.3 | E293 I294 L295 E302 L310 Q311 | Q291-E293 VanDerWaalsContact C-N 3.29Å; Q291-E293 PolarHBondContact O-N 2.84Å; Q291-I294 PolarHBondContact O-N 2.85Å; Q291-L295 HydrophobicContact CG-CD1 3.99Å; Q291-L295 HydrophobicContact CG-CG 4.28Å; Q291-L295 VanDerWaalsContact O-CG 3.3Å; Q291-L295 WeakPolarHBondContact O-CG 3.37Å; Q291-L295 PolarHBondContact O-N 3.22Å; Q291-E302 PolarHBondContact NE2-OE1 3.12Å; Q291-L310 HydrophobicContact CG-CD1 4.25Å; Q291-Q311 PolarHBondContact OE1-O 3.29Å |
| 292 | S | 94 | Very high | 96.2 | Very high | 90 Ų | 90 | 66.5 Ų | 66.5 | 63% | 0.629 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.1 | -35.8 | 179.9 | 53 | 0 | 0 | 0 | 0 | 113.1 | V290 G296 | V290-S292 VanDerWaalsContact C-N 3.31Å; V290-S292 WeakPolarHBondContact CG2-OG 3.27Å; V290-S292 PolarHBondContact O-N 3.37Å; S292-G296 PolarHBondContact O-N 3.03Å |
| 293 | E | 96.8 | Very high | 95.8 | Very high | 70 Ų | 70 | 64.4 Ų | 64.4 | 33% | 0.327 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.6 | -46.2 | 175.3 | 173.5 | 171.9 | -150.8 | 0 | 0 | 111.3 | H285 Y289 V290 Q291 L295 G296 I297 | H285-E293 IonicContact CD2-OE1 3.21Å; H285-E293 IonicContact CE1-OE2 3.72Å; H285-E293 IonicContact NE2-OE1 2.7Å; H285-E293 PolarHBondContact NE2-OE1 3.13Å; H285-E293 IonicContact NE2-OE2 3.72Å; Y289-E293 HydrophobicContact CD1-CG 4.09Å; V290-E293 HydrophobicContact CG2-CB 3.92Å; V290-E293 WeakPolarHBondContact O-CB 3.12Å; V290-E293 PolarHBondContact O-N 2.98Å; Q291-E293 VanDerWaalsContact C-N 3.29Å; Q291-E293 PolarHBondContact O-N 2.84Å; E293-L295 VanDerWaalsContact C-N 3.33Å; E293-L295 PolarHBondContact O-N 2.94Å; E293-G296 PolarHBondContact O-N 3.37Å; E293-G296 VanDerWaalsContact O-N 3.15Å; E293-I297 HydrophobicContact CG-CD1 3.92Å; E293-I297 HydrophobicContact CG-CG1 4.49Å; E293-I297 WeakPolarHBondContact O-CG1 3.41Å; E293-I297 PolarHBondContact O-N 3.05Å |
| 294 | I | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57.7 | -48.1 | 177.3 | -66.9 | 168.5 | 0 | 0 | 0 | 110.5 | L243 V247 Y289 V290 Q291 G296 I297 L298 L305 Y316 L318 | L243-I294 HydrophobicContact CD1-CD1 3.98Å; L243-I294 HydrophobicContact CD2-CG2 3.95Å; V247-I294 HydrophobicContact CG2-CG2 4.13Å; Y289-I294 HydrophobicContact CD1-CG1 4.33Å; V290-I294 PolarHBondContact O-N 2.75Å; Q291-I294 PolarHBondContact O-N 2.85Å; I294-G296 VanDerWaalsContact C-N 3.32Å; I294-G296 PolarHBondContact O-N 3.12Å; I294-I297 PolarHBondContact O-N 3.4Å; I294-L298 HydrophobicContact CG2-CD1 3.92Å; I294-L298 HydrophobicContact CG2-CG 4.43Å; I294-L298 WeakPolarHBondContact O-CB 3.38Å; I294-L298 VanDerWaalsContact O-CG 3.31Å; I294-L298 WeakPolarHBondContact O-CG 3.08Å; I294-L298 PolarHBondContact O-N 3.3Å; I294-L305 HydrophobicContact CG2-CD1 4.05Å; I294-Y316 HydrophobicContact CD1-CD2 3.73Å; I294-Y316 HydrophobicContact CD1-CE2 4.42Å; I294-Y316 HydrophobicContact CD1-CG 4.25Å; I294-L318 HydrophobicContact CD1-CD1 4.47Å; I294-L318 HydrophobicContact CG1-CD1 4.4Å |
| 295 | L | 95.9 | Very high | 95 | Very high | 32 Ų | 32 | 62.8 Ų | 62.8 | 17% | 0.168 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63 | -39.7 | 177.5 | -66.1 | 177.4 | 0 | 0 | 0 | 111.7 | Q291 E293 L298 E299 C300 E302 L305 | Q291-L295 HydrophobicContact CG-CD1 3.99Å; Q291-L295 HydrophobicContact CG-CG 4.28Å; Q291-L295 VanDerWaalsContact O-CG 3.3Å; Q291-L295 WeakPolarHBondContact O-CG 3.37Å; Q291-L295 PolarHBondContact O-N 3.22Å; E293-L295 VanDerWaalsContact C-N 3.33Å; E293-L295 PolarHBondContact O-N 2.94Å; L295-L298 PolarHBondContact O-N 3.45Å; L295-E299 WeakPolarHBondContact O-CA 3.13Å; L295-E299 PolarHBondContact O-N 3.31Å; L295-C300 PolarHBondContact O-N 2.87Å; L295-E302 HydrophobicContact CD1-CB 4.31Å; L295-L305 HydrophobicContact CD2-CD1 3.76Å; L295-L305 HydrophobicContact CD2-CG 4.47Å |
| 296 | G | 97.1 | Very high | 94.4 | Very high | 54 Ų | 54 | 64.6 Ų | 64.6 | 56% | 0.557 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.6 | -44.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | S292 E293 I294 | S292-G296 PolarHBondContact O-N 3.03Å; E293-G296 PolarHBondContact O-N 3.37Å; E293-G296 VanDerWaalsContact O-N 3.15Å; I294-G296 VanDerWaalsContact C-N 3.32Å; I294-G296 PolarHBondContact O-N 3.12Å |
| 297 | I | 97.7 | Very high | 93.8 | Very high | 38 Ų | 38 | 62.9 Ų | 62.9 | 20% | 0.195 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.2 | -48.6 | 176.6 | -65.5 | 164.8 | 0 | 0 | 0 | 110.4 | V247 K250 L251 Y289 E293 I294 E299 | V247-I297 HydrophobicContact CG1-CD1 4.05Å; V247-I297 HydrophobicContact CG1-CG2 4.1Å; K250-I297 VanDerWaalsContact CE-O 3.24Å; K250-I297 WeakPolarHBondContact CE-O 3.24Å; K250-I297 HydrophobicContact CG-CG2 4.18Å; K250-I297 WeakPolarHBondContact CG-O 3.39Å; L251-I297 HydrophobicContact CD2-CG2 3.91Å; L251-I297 HydrophobicContact CG-CG2 4.08Å; Y289-I297 HydrophobicContact CD1-CD1 4.39Å; Y289-I297 HydrophobicContact CE1-CD1 4.04Å; E293-I297 HydrophobicContact CG-CD1 3.92Å; E293-I297 HydrophobicContact CG-CG1 4.49Å; E293-I297 WeakPolarHBondContact O-CG1 3.41Å; E293-I297 PolarHBondContact O-N 3.05Å; I294-I297 PolarHBondContact O-N 3.4Å; I297-E299 PolarHBondContact O-N 2.65Å |
| 298 | L | 97.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -71.8 | -14.8 | -176.5 | -65.9 | -177 | 0 | 0 | 0 | 113.6 | K246 V247 K250 W256 I294 L295 L305 | K246-L298 HydrophobicContact CB-CD1 4.3Å; K246-L298 HydrophobicContact CB-CD2 4.2Å; V247-L298 HydrophobicContact CG2-CD2 4.31Å; V247-L298 HydrophobicContact CG2-CG 4.38Å; K250-L298 HydrophobicContact CB-CD2 3.82Å; K250-L298 HydrophobicContact CG-CD2 4.35Å; W256-L298 HydrophobicContact CB-CD2 4.27Å; W256-L298 HydrophobicContact CD2-CD2 3.97Å; W256-L298 HydrophobicContact CE3-CD1 4.48Å; W256-L298 HydrophobicContact CG-CD2 3.82Å; W256-L298 HydrophobicContact CZ2-CB 4.22Å; W256-L298 PolarHBondContact NE1-O 3.49Å; I294-L298 HydrophobicContact CG2-CD1 3.92Å; I294-L298 HydrophobicContact CG2-CG 4.43Å; I294-L298 WeakPolarHBondContact O-CB 3.38Å; I294-L298 VanDerWaalsContact O-CG 3.31Å; I294-L298 WeakPolarHBondContact O-CG 3.08Å; I294-L298 PolarHBondContact O-N 3.3Å; L295-L298 PolarHBondContact O-N 3.45Å; L298-L305 HydrophobicContact CD1-CD1 4Å; L298-L305 HydrophobicContact CD1-CD2 4.02Å |
| 299 | E | 96.8 | Very high | 92.6 | Very high | 149 Ų | 149 | 62.1 Ų | 62.1 | 70% | 0.696 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 51.4 | -175 | -63.4 | 165.3 | -161.5 | 0 | 0 | 111 | K250 L295 I297 | K250-E299 IonicContact NZ-OE1 2.7Å; K250-E299 PolarHBondContact NZ-OE1 2.99Å; K250-E299 IonicContact NZ-OE2 3.68Å; K250-E299 PolarHBondContact NZ-OE2 3.32Å; L295-E299 WeakPolarHBondContact O-CA 3.13Å; L295-E299 PolarHBondContact O-N 3.31Å; I297-E299 PolarHBondContact O-N 2.65Å |
| 300 | C | 95.2 | Very high | 91.9 | Very high | 26 Ų | 26 | 63.1 Ų | 63.1 | 18% | 0.176 | 37% | 0.369 | C | S | . | . | trans | -143 | 165.8 | -179 | 69.2 | 0 | 0 | 0 | 0 | 113.1 | W256 L295 A304 | W256-C300 HydrophobicContact CH2-CB 4.3Å; W256-C300 HydrophobicContact CZ2-CB 3.81Å; L295-C300 PolarHBondContact O-N 2.87Å; C300-A304 HydrophobicContact CB-CB 3.99Å | ||
| 301 | D | 91.8 | Very high | 91.3 | Very high | 132 Ų | 132 | 64 Ų | 64 | 71% | 0.706 | 37% | 0.368 | S | S | * | . | trans | -86.7 | 159.5 | 172.2 | -58.7 | -33.5 | 0 | 0 | 0 | 111 | A303 A304 | D301-A303 PolarHBondContact O-N 2.9Å; D301-A303 VanDerWaalsContact O-N 3.12Å; D301-A304 WeakPolarHBondContact O-CB 3.44Å; D301-A304 PolarHBondContact O-N 2.69Å | ||
| 302 | E | 88.3 | Confident | 90.4 | Very high | 103 Ų | 103 | 67.5 Ų | 67.5 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -51.8 | -36.3 | 178.7 | -178.9 | 171.1 | -155.7 | 0 | 0 | 113.3 | Q291 L295 A304 L305 D306 | Q291-E302 PolarHBondContact NE2-OE1 3.12Å; L295-E302 HydrophobicContact CD1-CB 4.31Å; E302-A304 PolarHBondContact O-N 2.9Å; E302-A304 VanDerWaalsContact O-N 3.09Å; E302-L305 PolarHBondContact O-N 3.2Å; E302-D306 PolarHBondContact O-N 3.05Å |
| 303 | A | 89.4 | Confident | 89.8 | Confident | 83 Ų | 83 | 70.3 Ų | 70.3 | 69% | 0.686 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -57 | -27.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D301 L305 D306 | D301-A303 PolarHBondContact O-N 2.9Å; D301-A303 VanDerWaalsContact O-N 3.12Å; A303-L305 PolarHBondContact O-N 3.18Å; A303-D306 WeakPolarHBondContact O-CB 3.25Å; A303-D306 PolarHBondContact O-N 2.57Å |
| 304 | A | 90.1 | Very high | 89.2 | Confident | 54 Ų | 54 | 67.2 Ų | 67.2 | 45% | 0.446 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -73.3 | -15.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | W256 C300 D301 E302 | W256-A304 HydrophobicContact CH2-CB 4.07Å; C300-A304 HydrophobicContact CB-CB 3.99Å; D301-A304 WeakPolarHBondContact O-CB 3.44Å; D301-A304 PolarHBondContact O-N 2.69Å; E302-A304 PolarHBondContact O-N 2.9Å; E302-A304 VanDerWaalsContact O-N 3.09Å |
| 305 | L | 90.5 | Very high | 89 | Confident | 3 Ų | 3 | 70.1 Ų | 70.1 | 2% | 0.016 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -113.8 | 4.9 | 179.1 | -58.8 | -179.8 | 0 | 0 | 0 | 113 | L243 K246 W256 I294 L295 L298 E302 A303 P307 L308 L310 | L243-L305 HydrophobicContact CD2-CD1 4.16Å; K246-L305 HydrophobicContact CD-CD2 4.02Å; W256-L305 HydrophobicContact CH2-CD2 4.26Å; W256-L305 HydrophobicContact CZ3-CD2 3.96Å; I294-L305 HydrophobicContact CG2-CD1 4.05Å; L295-L305 HydrophobicContact CD2-CD1 3.76Å; L295-L305 HydrophobicContact CD2-CG 4.47Å; L298-L305 HydrophobicContact CD1-CD1 4Å; L298-L305 HydrophobicContact CD1-CD2 4.02Å; E302-L305 PolarHBondContact O-N 3.2Å; A303-L305 PolarHBondContact O-N 3.18Å; L305-P307 VanDerWaalsContact C-N 3.31Å; L305-P307 VanDerWaalsContact O-N 3.15Å; L305-L308 HydrophobicContact CD2-CD1 4.29Å; L305-L308 VanDerWaalsContact O-CB 3.3Å; L305-L308 WeakPolarHBondContact O-CB 3.49Å; L305-L308 PolarHBondContact O-N 2.99Å; L305-L310 HydrophobicContact CB-CD1 3.96Å; L305-L310 HydrophobicContact CB-CG 4.5Å; L305-L310 HydrophobicContact CD1-CD1 3.83Å |
| 306 | D | 85.4 | Confident | 89.1 | Confident | 112 Ų | 112 | 68.8 Ų | 68.8 | 60% | 0.599 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -47.8 | -40.7 | -178.2 | -171.4 | 50.1 | 0 | 0 | 0 | 114.4 | E302 A303 L308 H309 | E302-D306 PolarHBondContact O-N 3.05Å; A303-D306 WeakPolarHBondContact O-CB 3.25Å; A303-D306 PolarHBondContact O-N 2.57Å; D306-L308 PolarHBondContact O-N 2.83Å; D306-H309 PolarHBondContact O-N 2.96Å |
| 307 | P | 84.7 | Confident | 89 | Confident | 97 Ų | 97 | 68.8 Ų | 68.8 | 63% | 0.63 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -61.8 | -13.4 | 176.9 | -23.9 | 35.4 | 0 | 0 | 0 | 115.5 | L305 | L305-P307 VanDerWaalsContact C-N 3.31Å; L305-P307 VanDerWaalsContact O-N 3.15Å |
| 308 | L | 85.5 | Confident | 89.1 | Confident | 11 Ų | 11 | 67 Ų | 67 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -88.3 | -9.3 | 176.9 | -58.2 | -177.6 | 0 | 0 | 0 | 113.1 | T239 R242 L243 L305 D306 L310 | T239-L308 HydrophobicContact CG2-CB 4.19Å; T239-L308 PolarHBondContact OG1-O 3.14Å; R242-L308 HydrophobicContact CB-CD1 4.42Å; R242-L308 HydrophobicContact CB-CD2 3.86Å; R242-L308 HydrophobicContact CG-CD2 4.25Å; L243-L308 HydrophobicContact CD2-CD1 3.68Å; L243-L308 HydrophobicContact CG-CD1 4.03Å; L305-L308 HydrophobicContact CD2-CD1 4.29Å; L305-L308 VanDerWaalsContact O-CB 3.3Å; L305-L308 WeakPolarHBondContact O-CB 3.49Å; L305-L308 PolarHBondContact O-N 2.99Å; D306-L308 PolarHBondContact O-N 2.83Å; L308-L310 HydrophobicContact CB-CD2 3.83Å; L308-L310 HydrophobicContact CB-CG 4.39Å; L308-L310 PolarHBondContact O-N 2.93Å |
| 309 | H | 82.5 | Confident | 89.1 | Confident | 151 Ų | 151 | 67.2 Ų | 67.2 | 70% | 0.699 | 39% | 0.386 | S | S | * | . | trans | 49.4 | 55.9 | -179.1 | -51.8 | 104.9 | 0 | 0 | 0 | 112.5 | D306 | D306-H309 PolarHBondContact O-N 2.96Š| ||
| 310 | L | 84.5 | Confident | 89.2 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 13% | 0.131 | 36% | 0.361 | C | S | . | . | trans | -61 | 139.2 | 179.3 | -56.4 | -172.5 | 0 | 0 | 0 | 110.5 | T239 L243 Q291 L305 L308 Y316 | T239-L310 HydrophobicContact CG2-CD2 3.5Å; L243-L310 HydrophobicContact CD1-CD2 3.85Å; L243-L310 HydrophobicContact CD2-CD2 4.25Å; L243-L310 HydrophobicContact CG-CD2 4.38Å; Q291-L310 HydrophobicContact CG-CD1 4.25Å; L305-L310 HydrophobicContact CB-CD1 3.96Å; L305-L310 HydrophobicContact CB-CG 4.5Å; L305-L310 HydrophobicContact CD1-CD1 3.83Å; L308-L310 HydrophobicContact CB-CD2 3.83Å; L308-L310 HydrophobicContact CB-CG 4.39Å; L308-L310 PolarHBondContact O-N 2.93Å; L310-Y316 WeakPolarHBondContact CA-OH 3.44Å; L310-Y316 WeakPolarHBondContact CB-OH 3.5Å; L310-Y316 HydrophobicContact CD2-CE1 4.25Å | ||
| 311 | Q | 83.5 | Confident | 89.2 | Confident | 92 Ų | 92 | 60.5 Ų | 60.5 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | trans | -83.2 | 134.1 | 170.1 | -63.7 | 177.4 | -12.5 | 0 | 0 | 109.1 | Q291 D313 G314 Y316 | Q291-Q311 PolarHBondContact OE1-O 3.29Å; Q311-D313 VanDerWaalsContact C-N 3.26Å; Q311-D313 PolarHBondContact O-N 3.09Å; Q311-G314 WeakPolarHBondContact O-CA 3.45Å; Q311-G314 PolarHBondContact O-N 3.49Å; Q311-Y316 PolarHBondContact N-OH 2.87Å; Q311-Y316 PolarHBondContact O-OH 3.39Å | ||
| 312 | A | 75.1 | Confident | 89.5 | Confident | 94 Ų | 94 | 54.2 Ų | 54.2 | 78% | 0.777 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -31.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 313 | D | 80.4 | Confident | 90 | Very high | 149 Ų | 149 | 49.6 Ų | 49.6 | 80% | 0.797 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 20.5 | 173.1 | 62.1 | -23.8 | 0 | 0 | 0 | 112.3 | Q311 | Q311-D313 VanDerWaalsContact C-N 3.26Å; Q311-D313 PolarHBondContact O-N 3.09Å |
| 314 | G | 85.4 | Confident | 90.3 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 6% | 0.062 | 27% | 0.265 | C | S | . | . | trans | -65.9 | 137.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q311 Y316 | Q311-G314 WeakPolarHBondContact O-CA 3.45Å; Q311-G314 PolarHBondContact O-N 3.49Å; G314-Y316 WeakPolarHBondContact O-CE2 3.43Å | ||
| 315 | S | 92.7 | Very high | 90.5 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 42% | 0.42 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 115.2 | 175.3 | 169.5 | 0 | 0 | 0 | 0 | 108.7 | P288 | P288-S315 WeakPolarHBondContact CB-OG 3.26Å |
| 316 | Y | 96.2 | Very high | 90.8 | Very high | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.02 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 115.1 | -169 | -54.9 | -81.4 | 0 | 0 | 0 | 112.3 | T239 E240 L243 Y289 I294 L310 Q311 G314 L318 | T239-Y316 HydrophobicContact CG2-CD1 4.3Å; T239-Y316 HydrophobicContact CG2-CE1 3.91Å; E240-Y316 HydrophobicContact CG-CD1 4.01Å; L243-Y316 HydrophobicContact CD1-CD1 3.65Å; L243-Y316 HydrophobicContact CD1-CD2 4.24Å; L243-Y316 HydrophobicContact CD1-CE1 4.02Å; L243-Y316 HydrophobicContact CD1-CG 3.78Å; Y289-Y316 PolarHBondContact N-O 3.04Å; Y289-Y316 PolarHBondContact O-N 3.15Å; I294-Y316 HydrophobicContact CD1-CD2 3.73Å; I294-Y316 HydrophobicContact CD1-CE2 4.42Å; I294-Y316 HydrophobicContact CD1-CG 4.25Å; L310-Y316 WeakPolarHBondContact CA-OH 3.44Å; L310-Y316 WeakPolarHBondContact CB-OH 3.5Å; L310-Y316 HydrophobicContact CD2-CE1 4.25Å; Q311-Y316 PolarHBondContact N-OH 2.87Å; Q311-Y316 PolarHBondContact O-OH 3.39Å; G314-Y316 WeakPolarHBondContact O-CE2 3.43Å; Y316-L318 VanDerWaalsContact C-N 3.35Å; Y316-L318 PolarHBondContact O-N 3.38Å |
| 317 | H | 97 | Very high | 91.4 | Very high | 53 Ų | 53 | 39.7 Ų | 39.7 | 25% | 0.245 | 22% | 0.224 | C | C | . | . | trans | -85.6 | 65.7 | -176.9 | -66.9 | -97.2 | 0 | 0 | 0 | 113.1 | E240 H319 N320 R321 | E240-H317 IonicContact OE1-CD2 2.82Å; E240-H317 IonicContact OE1-CG 3.45Å; E240-H317 PolarHBondContact OE1-N 3.01Å; H317-H319 PolarHBondContact O-N 2.51Å; H317-N320 PolarHBondContact O-N 3.47Å; H317-R321 VanDerWaalsContact O-CG 3.27Å; H317-R321 WeakPolarHBondContact O-CG 3.22Å; H317-R321 PolarHBondContact O-N 3.01Å; H317-R321 VanDerWaalsContact O-N 3.12Å | ||
| 318 | L | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | -171.2 | -52.8 | -170.4 | 0 | 0 | 0 | 113.6 | E240 L243 A244 V247 L284 Y289 I294 Y316 A322 | E240-L318 HydrophobicContact CB-CD2 4.48Å; E240-L318 VanDerWaalsContact O-CD2 3.32Å; E240-L318 WeakPolarHBondContact O-CD2 3.45Å; L243-L318 HydrophobicContact CB-CD1 4.42Å; L243-L318 HydrophobicContact CB-CD2 3.52Å; L243-L318 HydrophobicContact CD1-CD2 4.35Å; A244-L318 HydrophobicContact CB-CB 3.84Å; A244-L318 HydrophobicContact CB-CD2 4.29Å; V247-L318 HydrophobicContact CB-CD1 4.09Å; V247-L318 HydrophobicContact CG1-CD1 4.32Å; V247-L318 HydrophobicContact CG2-CD1 3.78Å; L284-L318 HydrophobicContact CD1-CB 4.26Å; Y289-L318 HydrophobicContact CD1-CD1 3.87Å; Y289-L318 HydrophobicContact CD2-CB 3.87Å; Y289-L318 HydrophobicContact CD2-CD1 3.83Å; Y289-L318 HydrophobicContact CD2-CG 3.59Å; Y289-L318 HydrophobicContact CE1-CD1 4.19Å; Y289-L318 HydrophobicContact CE2-CB 3.88Å; Y289-L318 HydrophobicContact CE2-CD1 4.18Å; Y289-L318 HydrophobicContact CE2-CG 4.07Å; Y289-L318 HydrophobicContact CG-CD1 3.68Å; Y289-L318 HydrophobicContact CG-CG 3.86Å; I294-L318 HydrophobicContact CD1-CD1 4.47Å; I294-L318 HydrophobicContact CG1-CD1 4.4Å; Y316-L318 VanDerWaalsContact C-N 3.35Å; Y316-L318 PolarHBondContact O-N 3.38Å; L318-A322 WeakPolarHBondContact O-CB 3.45Å; L318-A322 PolarHBondContact O-N 3.21Å |
| 319 | H | 98.6 | Very high | 92.3 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 3% | 0.032 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.7 | -55.4 | -179.6 | 171.1 | -89.1 | 0 | 0 | 0 | 111.5 | V280 L284 H285 H317 R321 A322 L323 | V280-H319 WeakPolarHBondContact CG1-O 3.19Å; L284-H319 HydrophobicContact CB-CB 3.9Å; L284-H319 PolarHBondContact O-CD2 3.04Å; H285-H319 WeakPolarHBondContact O-CB 3.28Å; H317-H319 PolarHBondContact O-N 2.51Å; H319-R321 VanDerWaalsContact C-N 3.35Å; H319-R321 PolarHBondContact O-N 3.31Å; H319-A322 PolarHBondContact O-N 2.83Å; H319-L323 VanDerWaalsContact O-CB 3.23Å; H319-L323 WeakPolarHBondContact O-CB 3.31Å; H319-L323 PolarHBondContact O-N 2.88Å |
| 320 | N | 97.8 | Very high | 93 | Very high | 31 Ų | 31 | 29.7 Ų | 29.7 | 17% | 0.166 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.1 | -38.7 | -174.5 | -66.4 | -5.4 | 0 | 0 | 0 | 111.6 | H317 L323 H324 L372 | H317-N320 PolarHBondContact O-N 3.47Å; N320-L323 PolarHBondContact O-N 3.38Å; N320-H324 WeakPolarHBondContact O-CB 3.48Å; N320-H324 PolarHBondContact O-N 3.47Å; N320-L372 CarbonylContact C-O 3.46Å; N320-L372 HydrophobicContact CB-CB 4.47Å; N320-L372 HydrophobicContact CB-CD2 4.42Å; N320-L372 WeakPolarHBondContact CB-O 3.39Å |
| 321 | R | 96.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66 | -47.6 | 178.7 | -64.2 | -19.4 | 169.5 | -146.6 | -6 | 111.5 | E240 H317 H319 V325 L372 Y373 D374 | E240-R321 HydrophobicContact CB-CB 4.24Å; E240-R321 HydrophobicContact CB-CG 3.55Å; E240-R321 HydrophobicContact CG-CG 4.28Å; E240-R321 IonicContact OE1-NE 2.75Å; E240-R321 IonicContact OE1-NH2 3.56Å; E240-R321 VanDerWaalsContact OE2-CG 3.32Å; E240-R321 WeakPolarHBondContact OE2-CG 3.47Å; E240-R321 IonicContact OE2-CZ 3.41Å; E240-R321 IonicContact OE2-NE 3.81Å; E240-R321 PolarHBondContact OE2-NE 3Å; E240-R321 IonicContact OE2-NH2 3.59Å; H317-R321 VanDerWaalsContact O-CG 3.27Å; H317-R321 WeakPolarHBondContact O-CG 3.22Å; H317-R321 PolarHBondContact O-N 3.01Å; H317-R321 VanDerWaalsContact O-N 3.12Å; H319-R321 VanDerWaalsContact C-N 3.35Å; H319-R321 PolarHBondContact O-N 3.31Å; R321-V325 VanDerWaalsContact O-CG2 3.29Å; R321-V325 WeakPolarHBondContact O-CG2 3.42Å; R321-V325 PolarHBondContact O-N 2.98Å; R321-V325 VanDerWaalsContact O-N 3.09Å; R321-L372 PolarHBondContact NH1-O 2.81Å; R321-Y373 HydrophobicContact CB-CE2 3.76Å; R321-Y373 VanDerWaalsContact CD-CE2 3.43Å; R321-Y373 HydrophobicContact CG-CE2 3.79Å; R321-Y373 VanDerWaalsContact NH1-C 3.28Å; R321-Y373 PolarHBondContact NH1-O 3.41Å; R321-D374 IonicContact NH2-OD2 2.99Å |
| 322 | A | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | A244 L262 V280 L284 L318 H319 V325 Y326 | A244-A322 HydrophobicContact CB-CB 3.9Å; L262-A322 HydrophobicContact CD1-CB 4.11Å; L262-A322 HydrophobicContact CD2-CB 3.96Å; V280-A322 HydrophobicContact CG1-CB 4.21Å; V280-A322 HydrophobicContact CG2-CB 3.79Å; L284-A322 HydrophobicContact CD1-CB 4.32Å; L318-A322 WeakPolarHBondContact O-CB 3.45Å; L318-A322 PolarHBondContact O-N 3.21Å; H319-A322 PolarHBondContact O-N 2.83Å; A322-V325 PolarHBondContact O-N 2.92Å; A322-Y326 HydrophobicContact CB-CE2 4.33Å; A322-Y326 WeakPolarHBondContact O-CD2 3.4Å; A322-Y326 PolarHBondContact O-N 3.23Å; A322-Y326 VanDerWaalsContact O-N 3.1Å |
| 323 | L | 97.7 | Very high | 95.1 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.3 | -48.3 | 179.4 | -175.2 | 59.4 | 0 | 0 | 0 | 111.4 | P277 V280 H319 N320 V325 Y326 E327 L372 | P277-L323 HydrophobicContact CB-CD1 3.71Å; V280-L323 HydrophobicContact CG1-CB 3.95Å; H319-L323 VanDerWaalsContact O-CB 3.23Å; H319-L323 WeakPolarHBondContact O-CB 3.31Å; H319-L323 PolarHBondContact O-N 2.88Å; N320-L323 PolarHBondContact O-N 3.38Å; L323-V325 PolarHBondContact O-N 2.91Å; L323-Y326 PolarHBondContact O-N 3.16Å; L323-E327 HydrophobicContact CD1-CG 4.12Å; L323-E327 WeakPolarHBondContact CD1-OE1 3.37Å; L323-E327 WeakPolarHBondContact O-CB 3.48Å; L323-E327 WeakPolarHBondContact O-CG 3.27Å; L323-E327 PolarHBondContact O-N 3.12Å; L323-L372 HydrophobicContact CD2-CD1 4.07Å; L323-L372 HydrophobicContact CD2-CD2 4.47Å; L323-L372 HydrophobicContact CG-CD1 4.12Å |
| 324 | H | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -54.8 | -50.7 | 174.5 | 169.9 | 80.4 | 0 | 0 | 0 | 111.6 | H34 N320 Y326 E327 E328 S368 L372 Y373 | H34-H324 AromaticContact CD2-CD2 3.14Å; H34-H324 PolarHBondContact CD2-CD2 2.86Å; H34-H324 AromaticContact CD2-NE2 3.21Å; H34-H324 PolarHBondContact CD2-NE2 2.84Å; H34-H324 AromaticContact CG-CD2 3.76Å; H34-H324 AromaticContact CG-NE2 3.35Å; H34-H324 AromaticContact NE2-CD2 3.99Å; N320-H324 WeakPolarHBondContact O-CB 3.48Å; N320-H324 PolarHBondContact O-N 3.47Å; H324-Y326 PolarHBondContact O-N 3.35Å; H324-E327 PolarHBondContact O-N 3.38Å; H324-E328 WeakPolarHBondContact O-CB 3.38Å; H324-E328 PolarHBondContact O-N 3.5Å; H324-S368 PolarHBondContact ND1-O 3.17Å; H324-S368 PolarHBondContact ND1-OG 3.29Å; H324-L372 HydrophobicContact CB-CB 3.85Å; H324-Y373 HydrophobicContact CB-CD2 3.73Å; H324-Y373 AromaticContact CD2-CD2 3.08Å; H324-Y373 WeakPolarHBondContact CD2-CD2 3.45Å; H324-Y373 AromaticContact CD2-CE2 3.94Å; H324-Y373 AromaticContact CD2-CG 3.56Å; H324-Y373 AromaticContact CG-CD2 3.44Å; H324-Y373 VanDerWaalsContact CG-CD2 3.44Å; H324-Y373 AromaticContact CG-CG 3.91Å; H324-Y373 AromaticContact NE2-CD2 3.86Å; H324-Y373 AromaticContact NE2-CG 3.86Å |
| 325 | V | 95.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | -175.9 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | V41 N44 Y46 L262 R321 A322 L323 S329 | V41-V325 HydrophobicContact CG1-CG1 4.33Å; N44-V325 HydrophobicContact CB-CG1 3.8Å; N44-V325 WeakPolarHBondContact ND2-CG2 3.46Å; Y46-V325 HydrophobicContact CD2-CG1 3.82Å; Y46-V325 HydrophobicContact CE2-CG1 4.06Å; L262-V325 HydrophobicContact CB-CG1 4.39Å; L262-V325 HydrophobicContact CD1-CB 3.7Å; L262-V325 HydrophobicContact CD1-CG1 3.73Å; L262-V325 HydrophobicContact CD1-CG2 3.95Å; R321-V325 VanDerWaalsContact O-CG2 3.29Å; R321-V325 WeakPolarHBondContact O-CG2 3.42Å; R321-V325 PolarHBondContact O-N 2.98Å; R321-V325 VanDerWaalsContact O-N 3.09Å; A322-V325 PolarHBondContact O-N 2.92Å; L323-V325 PolarHBondContact O-N 2.91Å; V325-S329 WeakPolarHBondContact O-CB 3.46Å; V325-S329 PolarHBondContact O-N 3.4Å |
| 326 | Y | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.9 | -42 | 179.8 | -67.6 | -54.8 | 0 | 0 | 0 | 112.2 | Y46 L262 L273 M276 V280 A322 L323 H324 S329 L330 | Y46-Y326 AromaticContact CE2-CD1 3.97Å; Y46-Y326 HydrophobicContact CE2-CD1 3.97Å; Y46-Y326 AromaticContact CE2-CE1 3.95Å; Y46-Y326 HydrophobicContact CE2-CE1 3.95Å; Y46-Y326 AromaticContact CZ-CD1 3.92Å; Y46-Y326 AromaticContact CZ-CE1 3.9Å; Y46-Y326 WeakPolarHBondContact OH-CD1 3.25Å; Y46-Y326 WeakPolarHBondContact OH-CE1 3.33Å; L262-Y326 HydrophobicContact CB-CE1 3.96Å; L262-Y326 HydrophobicContact CD2-CE2 4.03Å; L262-Y326 WeakPolarHBondContact CD2-OH 3.1Å; L262-Y326 PolarHBondContact O-OH 3.31Å; L273-Y326 HydrophobicContact CD1-CD1 3.76Å; L273-Y326 HydrophobicContact CD1-CG 4.5Å; M276-Y326 HydrophobicContact CB-CD1 3.57Å; M276-Y326 HydrophobicContact CB-CD2 3.68Å; M276-Y326 HydrophobicContact CB-CE1 3.72Å; M276-Y326 HydrophobicContact CB-CE2 3.83Å; M276-Y326 HydrophobicContact CB-CG 3.56Å; M276-Y326 HydrophobicContact CE-CE1 4.07Å; M276-Y326 HydrophobicContact CE-CE2 4.11Å; M276-Y326 VanDerWaalsContact CE-OH 3.26Å; M276-Y326 WeakPolarHBondContact CE-OH 3.48Å; M276-Y326 HydrophobicContact CG-CD1 4.02Å; M276-Y326 HydrophobicContact CG-CE1 3.85Å; M276-Y326 HydrophobicContact CG-CG 4.49Å; V280-Y326 HydrophobicContact CG2-CD2 3.69Å; V280-Y326 HydrophobicContact CG2-CE2 3.61Å; A322-Y326 HydrophobicContact CB-CE2 4.33Å; A322-Y326 WeakPolarHBondContact O-CD2 3.4Å; A322-Y326 PolarHBondContact O-N 3.23Å; A322-Y326 VanDerWaalsContact O-N 3.1Å; L323-Y326 PolarHBondContact O-N 3.16Å; H324-Y326 PolarHBondContact O-N 3.35Å; Y326-S329 PolarHBondContact O-N 3.26Å; Y326-L330 WeakPolarHBondContact O-CG 3.49Å; Y326-L330 PolarHBondContact O-N 3.42Å; Y326-L330 VanDerWaalsContact O-N 3.11Å |
| 327 | E | 96.3 | Very high | 96.3 | Very high | 43 Ų | 43 | 24.9 Ų | 24.9 | 20% | 0.201 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.3 | -36.6 | 178.2 | -70.3 | -173.8 | 168.6 | 0 | 0 | 112.6 | P277 R281 L323 H324 L330 R331 | P277-E327 HydrophobicContact CB-CG 4.34Å; P277-E327 HydrophobicContact CG-CG 4.07Å; R281-E327 IonicContact CZ-OE1 2.72Å; R281-E327 IonicContact NH1-OE1 2.91Å; R281-E327 IonicContact NH2-OE1 2.6Å; R281-E327 PolarHBondContact NH2-OE1 2.95Å; L323-E327 HydrophobicContact CD1-CG 4.12Å; L323-E327 WeakPolarHBondContact CD1-OE1 3.37Å; L323-E327 WeakPolarHBondContact O-CB 3.48Å; L323-E327 WeakPolarHBondContact O-CG 3.27Å; L323-E327 PolarHBondContact O-N 3.12Å; H324-E327 PolarHBondContact O-N 3.38Å; E327-L330 WeakPolarHBondContact O-CB 3.17Å; E327-L330 PolarHBondContact O-N 2.94Å; E327-R331 WeakPolarHBondContact O-CG 3.48Å; E327-R331 PolarHBondContact O-N 3.11Å; E327-R331 IonicContact OE2-NH1 3.76Å |
| 328 | E | 95.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67 | -40.2 | 175.9 | -174.6 | 64.3 | -166.6 | 0 | 0 | 111.1 | M31 G32 E33 V41 H324 L330 R331 V332 S365 R399 | M31-E328 VanDerWaalsContact SD-OE1 3.41Å; G32-E328 WeakPolarHBondContact CA-OE1 3.4Å; G32-E328 PolarHBondContact N-OE1 2.78Å; E33-E328 PolarHBondContact N-OE1 3.46Å; V41-E328 HydrophobicContact CG1-CB 4.12Å; V41-E328 HydrophobicContact CG1-CG 3.95Å; H324-E328 WeakPolarHBondContact O-CB 3.38Å; H324-E328 PolarHBondContact O-N 3.5Å; E328-L330 VanDerWaalsContact C-N 3.32Å; E328-L330 PolarHBondContact O-N 3.49Å; E328-R331 WeakPolarHBondContact O-CB 3.41Å; E328-R331 PolarHBondContact O-N 3.46Å; E328-R331 VanDerWaalsContact O-N 3.09Å; E328-R331 IonicContact OE2-CZ 3.79Å; E328-R331 IonicContact OE2-NE 3.82Å; E328-R331 PolarHBondContact OE2-NE 3.24Å; E328-R331 IonicContact OE2-NH2 3.68Å; E328-R331 PolarHBondContact OE2-NH2 2.86Å; E328-V332 PolarHBondContact O-N 3.31Å; E328-S365 PolarHBondContact OE1-OG 3.02Å; E328-S365 WeakPolarHBondContact OE2-CB 3.36Å; E328-S365 PolarHBondContact OE2-OG 2.76Å; E328-R399 IonicContact OE1-CZ 3.77Å; E328-R399 IonicContact OE1-NH1 3.63Å; E328-R399 PolarHBondContact OE1-NH1 2.79Å |
| 329 | S | 95.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.6 | -38.6 | 172.7 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | Y46 L273 V325 Y326 R331 V332 H333 | Y46-S329 WeakPolarHBondContact CD1-OG 3.47Å; L273-S329 WeakPolarHBondContact CD2-OG 3.3Å; V325-S329 WeakPolarHBondContact O-CB 3.46Å; V325-S329 PolarHBondContact O-N 3.4Å; Y326-S329 PolarHBondContact O-N 3.26Å; S329-R331 VanDerWaalsContact C-N 3.33Å; S329-R331 PolarHBondContact O-N 3.31Å; S329-V332 WeakPolarHBondContact O-CB 3.48Å; S329-V332 PolarHBondContact O-N 2.95Å; S329-H333 PolarHBondContact O-CD2 2.92Å; S329-H333 PolarHBondContact O-N 3.49Å |
| 330 | L | 96.1 | Very high | 95.6 | Very high | 49 Ų | 49 | 24.7 Ų | 24.7 | 26% | 0.257 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -60.9 | -42.7 | 171.6 | -71.6 | 168 | 0 | 0 | 0 | 111.5 | L273 R274 P277 Y326 E327 E328 V332 H333 D334 | L273-L330 HydrophobicContact CB-CD2 4.19Å; L273-L330 HydrophobicContact CD2-CD2 3.72Å; L273-L330 HydrophobicContact CD2-CG 3.92Å; L273-L330 HydrophobicContact CG-CD2 3.7Å; L273-L330 HydrophobicContact CG-CG 3.87Å; R274-L330 HydrophobicContact CB-CD2 4.47Å; P277-L330 HydrophobicContact CG-CD1 4.32Å; Y326-L330 WeakPolarHBondContact O-CG 3.49Å; Y326-L330 PolarHBondContact O-N 3.42Å; Y326-L330 VanDerWaalsContact O-N 3.11Å; E327-L330 WeakPolarHBondContact O-CB 3.17Å; E327-L330 PolarHBondContact O-N 2.94Å; E328-L330 VanDerWaalsContact C-N 3.32Å; E328-L330 PolarHBondContact O-N 3.49Å; L330-V332 VanDerWaalsContact C-N 3.3Å; L330-V332 PolarHBondContact O-N 2.99Å; L330-H333 PolarHBondContact O-N 2.64Å; L330-D334 PolarHBondContact O-N 2.87Å |
| 331 | R | 96.6 | Very high | 95.3 | Very high | 22 Ų | 22 | 25.3 Ų | 25.3 | 8% | 0.083 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.3 | -33.8 | 178 | -69 | -175.1 | -78.5 | -93.2 | 3.1 | 112.7 | M31 E327 E328 S329 D334 F335 L361 S368 | M31-R331 VanDerWaalsContact CG-C 3.47Å; M31-R331 HydrophobicContact CG-CB 3.98Å; M31-R331 WeakPolarHBondContact CG-O 3.48Å; M31-R331 HydrophobicContact SD-CB 3.55Å; M31-R331 VanDerWaalsContact SD-CB 3.55Å; E327-R331 WeakPolarHBondContact O-CG 3.48Å; E327-R331 PolarHBondContact O-N 3.11Å; E327-R331 IonicContact OE2-NH1 3.76Å; E328-R331 WeakPolarHBondContact O-CB 3.41Å; E328-R331 PolarHBondContact O-N 3.46Å; E328-R331 VanDerWaalsContact O-N 3.09Å; E328-R331 IonicContact OE2-CZ 3.79Å; E328-R331 IonicContact OE2-NE 3.82Å; E328-R331 PolarHBondContact OE2-NE 3.24Å; E328-R331 IonicContact OE2-NH2 3.68Å; E328-R331 PolarHBondContact OE2-NH2 2.86Å; S329-R331 VanDerWaalsContact C-N 3.33Å; S329-R331 PolarHBondContact O-N 3.31Å; R331-D334 PolarHBondContact O-N 3.25Å; R331-F335 WeakPolarHBondContact O-CB 3.28Å; R331-F335 PolarHBondContact O-N 3.17Å; R331-L361 HydrophobicContact CB-CD2 4.43Å; R331-L361 HydrophobicContact CG-CD2 4.1Å; R331-S368 PolarHBondContact NH2-OG 3.43Å; R331-S368 VanDerWaalsContact NH2-OG 3.12Å |
| 332 | V | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.2 | -50.3 | 172.5 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | M31 L49 L197 E328 S329 L330 D334 F335 R336 | M31-V332 HydrophobicContact CB-CG2 4.33Å; M31-V332 HydrophobicContact CG-CB 4.43Å; M31-V332 HydrophobicContact CG-CG2 3.97Å; L49-V332 HydrophobicContact CB-CG1 4.31Å; L197-V332 HydrophobicContact CD1-CG1 3.51Å; E328-V332 PolarHBondContact O-N 3.31Å; S329-V332 WeakPolarHBondContact O-CB 3.48Å; S329-V332 PolarHBondContact O-N 2.95Å; L330-V332 VanDerWaalsContact C-N 3.3Å; L330-V332 PolarHBondContact O-N 2.99Å; V332-D334 VanDerWaalsContact C-N 3.33Å; V332-D334 PolarHBondContact O-N 2.95Å; V332-F335 PolarHBondContact O-N 3.32Å; V332-R336 PolarHBondContact O-N 3.44Å; V332-R336 VanDerWaalsContact O-N 3.08Å |
| 333 | H | 94.2 | Very high | 94.6 | Very high | 74 Ų | 74 | 28.7 Ų | 28.7 | 34% | 0.343 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -66 | -36.5 | 179.2 | -69.2 | -63.9 | 0 | 0 | 0 | 112.2 | S329 L330 R337 | S329-H333 PolarHBondContact O-CD2 2.92Å; S329-H333 PolarHBondContact O-N 3.49Å; L330-H333 PolarHBondContact O-N 2.64Å; H333-R337 WeakPolarHBondContact O-CB 3.13Å; H333-R337 PolarHBondContact O-N 3.45Å |
| 334 | D | 95.9 | Very high | 94.1 | Very high | 48 Ų | 48 | 36.1 Ų | 36.1 | 26% | 0.257 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66.3 | -43 | 175.7 | -70 | -14.5 | 0 | 0 | 0 | 111.8 | L330 R331 V332 R337 I338 L361 | L330-D334 PolarHBondContact O-N 2.87Å; R331-D334 PolarHBondContact O-N 3.25Å; V332-D334 VanDerWaalsContact C-N 3.33Å; V332-D334 PolarHBondContact O-N 2.95Å; D334-R337 WeakPolarHBondContact O-CB 3.34Å; D334-R337 PolarHBondContact O-N 3.38Å; D334-R337 IonicContact OD1-CZ 3.56Å; D334-R337 IonicContact OD1-NH1 3.58Å; D334-R337 PolarHBondContact OD1-NH1 2.69Å; D334-R337 IonicContact OD1-NH2 2.91Å; D334-R337 PolarHBondContact OD1-NH2 2.96Å; D334-I338 WeakPolarHBondContact O-CD1 3.5Å; D334-I338 VanDerWaalsContact O-CG1 3.28Å; D334-I338 WeakPolarHBondContact O-CG1 3.16Å; D334-I338 PolarHBondContact O-N 2.82Å; D334-L361 HydrophobicContact CB-CD1 3.88Å; D334-L361 HydrophobicContact CB-CD2 4.2Å |
| 335 | F | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.9 | -50.9 | 177.2 | -165.2 | -69.6 | 0 | 0 | 0 | 110.8 | L30 M31 L49 I210 F216 R331 V332 R337 I338 C339 L358 L361 L362 | L30-F335 HydrophobicContact CB-CE2 4.42Å; L30-F335 HydrophobicContact CB-CZ 4.13Å; L30-F335 HydrophobicContact CD1-CE1 4.33Å; L30-F335 HydrophobicContact CD1-CZ 4.22Å; M31-F335 HydrophobicContact CB-CB 4.22Å; M31-F335 HydrophobicContact CB-CD2 4.11Å; M31-F335 HydrophobicContact CB-CG 4.26Å; M31-F335 HydrophobicContact CE-CD2 3.88Å; M31-F335 HydrophobicContact CE-CE2 4.49Å; M31-F335 HydrophobicContact CG-CB 4.18Å; M31-F335 HydrophobicContact CG-CD2 4.47Å; L49-F335 HydrophobicContact CD2-CB 4.07Å; L49-F335 HydrophobicContact CD2-CD1 3.16Å; L49-F335 HydrophobicContact CD2-CE1 3.7Å; L49-F335 HydrophobicContact CD2-CG 3.77Å; I210-F335 HydrophobicContact CD1-CE1 4.26Å; F216-F335 HydrophobicContact CE1-CZ 4.48Å; F216-F335 HydrophobicContact CZ-CZ 4.19Å; R331-F335 WeakPolarHBondContact O-CB 3.28Å; R331-F335 PolarHBondContact O-N 3.17Å; V332-F335 PolarHBondContact O-N 3.32Å; F335-R337 VanDerWaalsContact C-N 3.3Å; F335-R337 PolarHBondContact O-N 2.93Å; F335-I338 PolarHBondContact O-N 3.01Å; F335-C339 VanDerWaalsContact CE1-SG 3.58Å; F335-C339 PolarHBondContact O-N 2.89Å; F335-C339 PolarHBondContact O-SG 2.97Å; F335-L358 HydrophobicContact CD1-CD2 3.88Å; F335-L358 HydrophobicContact CD2-CD2 3.68Å; F335-L358 HydrophobicContact CE1-CD1 4.48Å; F335-L358 HydrophobicContact CE1-CD2 3.94Å; F335-L358 HydrophobicContact CE2-CB 4.27Å; F335-L358 HydrophobicContact CE2-CD2 3.74Å; F335-L358 HydrophobicContact CE2-CG 4.41Å; F335-L358 HydrophobicContact CG-CD2 3.77Å; F335-L358 HydrophobicContact CZ-CD1 4.18Å; F335-L358 HydrophobicContact CZ-CD2 3.87Å; F335-L358 HydrophobicContact CZ-CG 4.45Å; F335-L361 HydrophobicContact CB-CD1 3.9Å; F335-L361 HydrophobicContact CD2-CD1 4.3Å; F335-L362 HydrophobicContact CE2-CD2 4.3Å |
| 336 | R | 94.5 | Very high | 92.3 | Very high | 71 Ų | 71 | 51.1 Ų | 51.1 | 27% | 0.268 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -50.5 | -49.5 | 173.1 | 168.8 | 78.2 | -167.4 | -92.9 | 5 | 111.4 | V332 I338 C339 D340 | V332-R336 PolarHBondContact O-N 3.44Å; V332-R336 VanDerWaalsContact O-N 3.08Å; R336-I338 PolarHBondContact O-N 2.93Å; R336-C339 PolarHBondContact O-N 3.37Å; R336-D340 IonicContact CZ-OD2 2.97Å; R336-D340 IonicContact NE-OD1 2.73Å; R336-D340 IonicContact NE-OD2 2.81Å; R336-D340 PolarHBondContact NE-OD2 2.86Å; R336-D340 IonicContact NH2-OD2 3.32Å; R336-D340 PolarHBondContact O-N 2.88Å |
| 337 | R | 94.2 | Very high | 91.1 | Very high | 116 Ų | 116 | 53.4 Ų | 53.4 | 44% | 0.438 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.5 | -42.7 | -178.2 | -167.1 | -171.6 | -47 | 112.2 | 11.6 | 112.1 | H333 D334 F335 D340 E341 | H333-R337 WeakPolarHBondContact O-CB 3.13Å; H333-R337 PolarHBondContact O-N 3.45Å; D334-R337 WeakPolarHBondContact O-CB 3.34Å; D334-R337 PolarHBondContact O-N 3.38Å; D334-R337 IonicContact OD1-CZ 3.56Å; D334-R337 IonicContact OD1-NH1 3.58Å; D334-R337 PolarHBondContact OD1-NH1 2.69Å; D334-R337 IonicContact OD1-NH2 2.91Å; D334-R337 PolarHBondContact OD1-NH2 2.96Å; F335-R337 VanDerWaalsContact C-N 3.3Å; F335-R337 PolarHBondContact O-N 2.93Å; R337-D340 PolarHBondContact O-N 3.4Å; R337-E341 WeakPolarHBondContact O-CB 2.97Å; R337-E341 WeakPolarHBondContact O-CG 3.11Å; R337-E341 PolarHBondContact O-N 2.82Å |
| 338 | I | 94.4 | Very high | 89.5 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 177.6 | -67.5 | 158.8 | 0 | 0 | 0 | 110.5 | D334 F335 R336 E341 A342 R357 L358 L361 | D334-I338 WeakPolarHBondContact O-CD1 3.5Å; D334-I338 VanDerWaalsContact O-CG1 3.28Å; D334-I338 WeakPolarHBondContact O-CG1 3.16Å; D334-I338 PolarHBondContact O-N 2.82Å; F335-I338 PolarHBondContact O-N 3.01Å; R336-I338 PolarHBondContact O-N 2.93Å; I338-E341 PolarHBondContact O-N 3.32Å; I338-A342 WeakPolarHBondContact O-CB 3.37Å; I338-A342 PolarHBondContact O-N 2.75Å; I338-R357 HydrophobicContact CD1-CB 3.88Å; I338-R357 HydrophobicContact CG1-CB 4.34Å; I338-R357 HydrophobicContact CG2-CB 4.24Å; I338-L358 HydrophobicContact CB-CD2 3.76Å; I338-L358 HydrophobicContact CD1-CD2 4.07Å; I338-L358 HydrophobicContact CG2-CD2 3.55Å; I338-L358 HydrophobicContact CG2-CG 3.77Å; I338-L361 HydrophobicContact CD1-CD1 3.55Å; I338-L361 HydrophobicContact CD1-CG 4.28Å |
| 339 | C | 92.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.6 | -50.6 | 175.2 | -67 | 0 | 0 | 0 | 0 | 111.7 | V208 P211 F335 R336 E341 A342 V343 | V208-C339 HydrophobicContact CG1-CB 3.93Å; P211-C339 HydrophobicContact CG-CB 4.47Å; F335-C339 VanDerWaalsContact CE1-SG 3.58Å; F335-C339 PolarHBondContact O-N 2.89Å; F335-C339 PolarHBondContact O-SG 2.97Å; R336-C339 PolarHBondContact O-N 3.37Å; C339-E341 VanDerWaalsContact C-N 3.29Å; C339-E341 PolarHBondContact O-N 3.13Å; C339-A342 PolarHBondContact O-N 3.27Å; C339-V343 VanDerWaalsContact O-CG2 3.32Å; C339-V343 WeakPolarHBondContact O-CG2 3.47Å; C339-V343 PolarHBondContact O-N 2.88Å |
| 340 | D | 91.7 | Very high | 87.1 | Confident | 48 Ų | 48 | 64.1 Ų | 64.1 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.3 | -37.1 | -179.4 | -71.8 | -17 | 0 | 0 | 0 | 112.1 | R336 R337 K344 | R336-D340 IonicContact CZ-OD2 2.97Å; R336-D340 IonicContact NE-OD1 2.73Å; R336-D340 IonicContact NE-OD2 2.81Å; R336-D340 PolarHBondContact NE-OD2 2.86Å; R336-D340 IonicContact NH2-OD2 3.32Å; R336-D340 PolarHBondContact O-N 2.88Å; R337-D340 PolarHBondContact O-N 3.4Å; D340-K344 WeakPolarHBondContact O-CD 3.44Å; D340-K344 VanDerWaalsContact O-CG 3.28Å; D340-K344 WeakPolarHBondContact O-CG 3.47Å; D340-K344 PolarHBondContact O-N 2.95Å |
| 341 | E | 92.2 | Very high | 86.3 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 174.7 | -83.6 | 179.2 | -153.1 | 0 | 0 | 112.9 | R337 I338 C339 K344 R345 R357 | R337-E341 WeakPolarHBondContact O-CB 2.97Å; R337-E341 WeakPolarHBondContact O-CG 3.11Å; R337-E341 PolarHBondContact O-N 2.82Å; I338-E341 PolarHBondContact O-N 3.32Å; C339-E341 VanDerWaalsContact C-N 3.29Å; C339-E341 PolarHBondContact O-N 3.13Å; E341-K344 PolarHBondContact O-N 2.75Å; E341-R345 WeakPolarHBondContact O-CG 3.29Å; E341-R345 PolarHBondContact O-N 3.48Å; E341-R345 VanDerWaalsContact O-N 3.15Å; E341-R345 IonicContact OE2-CZ 4Å; E341-R345 IonicContact OE2-NH1 3.92Å; E341-R345 PolarHBondContact OE2-NH1 2.98Å; E341-R345 IonicContact OE2-NH2 3.03Å; E341-R357 IonicContact OE1-NH2 2.75Å; E341-R357 IonicContact OE2-CZ 3.96Å; E341-R357 IonicContact OE2-NH1 2.66Å; E341-R357 PolarHBondContact OE2-NH1 3.12Å; E341-R357 IonicContact OE2-NH2 3.14Å; E341-R357 PolarHBondContact OE2-NH2 3.44Å |
| 342 | A | 90.7 | Very high | 85.8 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 12% | 0.116 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.7 | -41 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P211 I338 C339 K344 R345 C354 | P211-A342 HydrophobicContact CB-CB 4.1Å; P211-A342 HydrophobicContact CG-CB 3.63Å; I338-A342 WeakPolarHBondContact O-CB 3.37Å; I338-A342 PolarHBondContact O-N 2.75Å; C339-A342 PolarHBondContact O-N 3.27Å; A342-K344 VanDerWaalsContact C-N 3.26Å; A342-K344 PolarHBondContact O-N 3.46Å; A342-R345 PolarHBondContact O-N 3.28Å; A342-C354 HydrophobicContact CB-CB 3.95Å; A342-C354 VanDerWaalsContact CB-SG 3.59Å |
| 343 | V | 87.9 | Confident | 85.5 | Confident | 58 Ų | 58 | 74.1 Ų | 74.1 | 35% | 0.352 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62 | -34.7 | 175.4 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | T209 P211 C339 H346 | T209-V343 HydrophobicContact CG2-CG2 3.9Å; P211-V343 HydrophobicContact CG-CG2 4.45Å; C339-V343 VanDerWaalsContact O-CG2 3.32Å; C339-V343 WeakPolarHBondContact O-CG2 3.47Å; C339-V343 PolarHBondContact O-N 2.88Å; V343-H346 PolarHBondContact O-CE1 2.94Å; V343-H346 PolarHBondContact O-ND1 3.16Å |
| 344 | K | 88.5 | Confident | 85.4 | Confident | 163 Ų | 163 | 70.8 Ų | 70.8 | 71% | 0.709 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -73.5 | -37.6 | 177.5 | -72.9 | 170.6 | -174.9 | 174.4 | 0 | 113.3 | D340 E341 A342 H346 | D340-K344 WeakPolarHBondContact O-CD 3.44Å; D340-K344 VanDerWaalsContact O-CG 3.28Å; D340-K344 WeakPolarHBondContact O-CG 3.47Å; D340-K344 PolarHBondContact O-N 2.95Å; E341-K344 PolarHBondContact O-N 2.75Å; A342-K344 VanDerWaalsContact C-N 3.26Å; A342-K344 PolarHBondContact O-N 3.46Å; K344-H346 PolarHBondContact O-ND1 2.92Å |
| 345 | R | 83.7 | Confident | 85.4 | Confident | 148 Ų | 148 | 68.5 Ų | 68.5 | 56% | 0.558 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -83.1 | -16.5 | -167.4 | -72.3 | -178 | -176.4 | 122.9 | 1.3 | 115.9 | E341 A342 S347 | E341-R345 WeakPolarHBondContact O-CG 3.29Å; E341-R345 PolarHBondContact O-N 3.48Å; E341-R345 VanDerWaalsContact O-N 3.15Å; E341-R345 IonicContact OE2-CZ 4Å; E341-R345 IonicContact OE2-NH1 3.92Å; E341-R345 PolarHBondContact OE2-NH1 2.98Å; E341-R345 IonicContact OE2-NH2 3.03Å; A342-R345 PolarHBondContact O-N 3.28Å; R345-S347 PolarHBondContact O-N 2.78Å |
| 346 | H | 69.9 | Low | 85.4 | Confident | 168 Ų | 168 | 71.3 Ų | 71.3 | 78% | 0.778 | 35% | 0.351 | S | S | * | . | trans | 50.7 | -0.3 | 173.4 | -64.7 | 83.6 | 0 | 0 | 0 | 118.5 | V343 K344 | V343-H346 PolarHBondContact O-CE1 2.94Å; V343-H346 PolarHBondContact O-ND1 3.16Å; K344-H346 PolarHBondContact O-ND1 2.92Å | ||
| 347 | S | 72.3 | Confident | 85.4 | Confident | 47 Ų | 47 | 71.7 Ų | 71.7 | 33% | 0.329 | 35% | 0.353 | S | S | . | . | trans | -90.5 | 148.7 | -174.2 | 78.4 | 0 | 0 | 0 | 0 | 113.2 | R345 T349 S350 K351 | R345-S347 PolarHBondContact O-N 2.78Å; S347-T349 PolarHBondContact O-N 3.01Å; S347-T349 PolarHBondContact OG-OG1 2.97Å; S347-S350 PolarHBondContact N-OG 3.5Å; S347-S350 WeakPolarHBondContact O-CB 3.12Å; S347-S350 PolarHBondContact O-N 2.95Å; S347-S350 VanDerWaalsContact O-N 3.09Å; S347-S350 PolarHBondContact O-OG 3.16Å; S347-S350 VanDerWaalsContact OG-CB 3.3Å; S347-S350 WeakPolarHBondContact OG-CB 3.27Å; S347-S350 PolarHBondContact OG-N 3.13Å; S347-S350 PolarHBondContact OG-OG 3.39Å; S347-K351 PolarHBondContact O-N 3.14Å | ||
| 348 | L | 62 | Low | 85.5 | Confident | 138 Ų | 138 | 66.2 Ų | 66.2 | 72% | 0.723 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.7 | -41.7 | 175.6 | -75 | 161.9 | 0 | 0 | 0 | 112.5 | S350 K351 | L348-S350 PolarHBondContact O-N 3.26Å; L348-K351 HydrophobicContact CD2-CD 4.11Å; L348-K351 VanDerWaalsContact O-CB 3.31Å; L348-K351 WeakPolarHBondContact O-CB 3.41Å; L348-K351 PolarHBondContact O-N 3.3Å |
| 349 | T | 65.8 | Low | 85.6 | Confident | 111 Ų | 111 | 65.9 Ų | 65.9 | 68% | 0.681 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.9 | -27.7 | 174.8 | 47.4 | 0 | 0 | 0 | 0 | 112.8 | S347 K351 V353 | S347-T349 PolarHBondContact O-N 3.01Å; S347-T349 PolarHBondContact OG-OG1 2.97Å; T349-K351 VanDerWaalsContact C-N 3.32Å; T349-V353 VanDerWaalsContact O-CG2 3.27Å; T349-V353 WeakPolarHBondContact O-CG2 3.13Å |
| 350 | S | 73.8 | Confident | 85.9 | Confident | 19 Ų | 19 | 70.5 Ų | 70.5 | 13% | 0.133 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -74.9 | -20.6 | 175.7 | 75.3 | 0 | 0 | 0 | 0 | 113.4 | S347 L348 C354 | S347-S350 PolarHBondContact N-OG 3.5Å; S347-S350 WeakPolarHBondContact O-CB 3.12Å; S347-S350 PolarHBondContact O-N 2.95Å; S347-S350 VanDerWaalsContact O-N 3.09Å; S347-S350 PolarHBondContact O-OG 3.16Å; S347-S350 VanDerWaalsContact OG-CB 3.3Å; S347-S350 WeakPolarHBondContact OG-CB 3.27Å; S347-S350 PolarHBondContact OG-N 3.13Å; S347-S350 PolarHBondContact OG-OG 3.39Å; L348-S350 PolarHBondContact O-N 3.26Å; S350-C354 WeakPolarHBondContact O-CB 3.3Å; S350-C354 PolarHBondContact O-N 3.4Å |
| 351 | K | 80.2 | Confident | 86.2 | Confident | 75 Ų | 75 | 68.8 Ų | 68.8 | 33% | 0.326 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.6 | -52.3 | -179.2 | -70 | 179.5 | 173.7 | -169.4 | 0 | 112.2 | S347 L348 T349 V353 C354 N355 | S347-K351 PolarHBondContact O-N 3.14Å; L348-K351 HydrophobicContact CD2-CD 4.11Å; L348-K351 VanDerWaalsContact O-CB 3.31Å; L348-K351 WeakPolarHBondContact O-CB 3.41Å; L348-K351 PolarHBondContact O-N 3.3Å; T349-K351 VanDerWaalsContact C-N 3.32Å; K351-V353 PolarHBondContact O-N 2.85Å; K351-C354 WeakPolarHBondContact O-CB 3.43Å; K351-C354 PolarHBondContact O-N 3.26Å; K351-C354 VanDerWaalsContact O-N 3.17Å; K351-N355 PolarHBondContact O-N 2.81Å |
| 352 | E | 85.3 | Confident | 86.4 | Confident | 125 Ų | 125 | 66.6 Ų | 66.6 | 58% | 0.584 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.4 | -45.4 | 177.6 | -173.9 | 178.5 | -174.8 | 0 | 0 | 110.9 | C354 N355 V356 | E352-C354 VanDerWaalsContact C-N 3.26Å; E352-C354 PolarHBondContact O-N 3.3Å; E352-N355 PolarHBondContact O-N 2.88Å; E352-N355 VanDerWaalsContact O-N 3.17Å; E352-V356 WeakPolarHBondContact O-CG2 3.46Å; E352-V356 PolarHBondContact O-N 2.86Å |
| 353 | V | 90.7 | Very high | 86.8 | Confident | 82 Ų | 82 | 68 Ų | 68 | 50% | 0.497 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.6 | -37.1 | 175.5 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | T349 K351 R357 | T349-V353 VanDerWaalsContact O-CG2 3.27Å; T349-V353 WeakPolarHBondContact O-CG2 3.13Å; K351-V353 PolarHBondContact O-N 2.85Å; V353-R357 HydrophobicContact CG1-CG 4.49Å; V353-R357 WeakPolarHBondContact O-CB 3.41Å; V353-R357 VanDerWaalsContact O-CG 3.23Å; V353-R357 WeakPolarHBondContact O-CG 3.5Å; V353-R357 PolarHBondContact O-N 3.04Å; V353-R357 VanDerWaalsContact O-N 3.08Å |
| 354 | C | 92.4 | Very high | 87.2 | Confident | 4 Ų | 4 | 70.6 Ų | 70.6 | 3% | 0.027 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.9 | -50.5 | 174.4 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | A342 S350 K351 E352 V356 R357 L358 | A342-C354 HydrophobicContact CB-CB 3.95Å; A342-C354 VanDerWaalsContact CB-SG 3.59Å; S350-C354 WeakPolarHBondContact O-CB 3.3Å; S350-C354 PolarHBondContact O-N 3.4Å; K351-C354 WeakPolarHBondContact O-CB 3.43Å; K351-C354 PolarHBondContact O-N 3.26Å; K351-C354 VanDerWaalsContact O-N 3.17Å; E352-C354 VanDerWaalsContact C-N 3.26Å; E352-C354 PolarHBondContact O-N 3.3Å; C354-V356 VanDerWaalsContact C-N 3.34Å; C354-V356 PolarHBondContact O-N 3.33Å; C354-R357 PolarHBondContact O-N 2.67Å; C354-L358 WeakPolarHBondContact O-CG 3.4Å; C354-L358 PolarHBondContact O-N 3.27Å |
| 355 | N | 94.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 179.3 | -85.6 | -32 | 0 | 0 | 0 | 112.1 | S213 V214 K351 E352 L358 G359 Y396 N412 | S213-N355 PolarHBondContact O-ND2 3.26Å; V214-N355 VanDerWaalsContact CG2-OD1 3.25Å; V214-N355 WeakPolarHBondContact CG2-OD1 3.49Å; K351-N355 PolarHBondContact O-N 2.81Å; E352-N355 PolarHBondContact O-N 2.88Å; E352-N355 VanDerWaalsContact O-N 3.17Å; N355-L358 PolarHBondContact O-N 2.89Å; N355-G359 PolarHBondContact O-N 3.04Å; N355-Y396 HydrophobicContact CB-CD1 3.81Å; N355-Y396 HydrophobicContact CB-CD2 3.6Å; N355-Y396 HydrophobicContact CB-CE1 3.78Å; N355-Y396 HydrophobicContact CB-CE2 3.57Å; N355-Y396 HydrophobicContact CB-CG 3.71Å; N355-Y396 WeakPolarHBondContact O-CB 3.4Å; N355-N412 PolarHBondContact OD1-ND2 3.24Å; N355-N412 PolarHBondContact OD1-OD1 2.87Å; N355-N412 VanDerWaalsContact OD1-OD1 3.12Å |
| 356 | V | 95.6 | Very high | 88.2 | Confident | 58 Ų | 58 | 56.1 Ų | 56.1 | 35% | 0.352 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.6 | -50.6 | 174.5 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | E352 C354 L358 G359 E360 Y396 | E352-V356 WeakPolarHBondContact O-CG2 3.46Å; E352-V356 PolarHBondContact O-N 2.86Å; C354-V356 VanDerWaalsContact C-N 3.34Å; C354-V356 PolarHBondContact O-N 3.33Å; V356-L358 PolarHBondContact O-N 3.11Å; V356-G359 PolarHBondContact O-N 2.87Å; V356-E360 WeakPolarHBondContact O-CG 3.43Å; V356-E360 PolarHBondContact O-N 2.84Å; V356-Y396 HydrophobicContact CG2-CD1 3.8Å; V356-Y396 HydrophobicContact CG2-CE1 3.91Å |
| 357 | R | 96 | Very high | 89.5 | Confident | 80 Ų | 80 | 52.5 Ų | 52.5 | 30% | 0.302 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | -178.9 | -71 | 171.8 | 69.5 | -166.2 | 2.9 | 112.8 | I338 E341 V353 C354 L361 | I338-R357 HydrophobicContact CD1-CB 3.88Å; I338-R357 HydrophobicContact CG1-CB 4.34Å; I338-R357 HydrophobicContact CG2-CB 4.24Å; E341-R357 IonicContact OE1-NH2 2.75Å; E341-R357 IonicContact OE2-CZ 3.96Å; E341-R357 IonicContact OE2-NH1 2.66Å; E341-R357 PolarHBondContact OE2-NH1 3.12Å; E341-R357 IonicContact OE2-NH2 3.14Å; E341-R357 PolarHBondContact OE2-NH2 3.44Å; V353-R357 HydrophobicContact CG1-CG 4.49Å; V353-R357 WeakPolarHBondContact O-CB 3.41Å; V353-R357 VanDerWaalsContact O-CG 3.23Å; V353-R357 WeakPolarHBondContact O-CG 3.5Å; V353-R357 PolarHBondContact O-N 3.04Å; V353-R357 VanDerWaalsContact O-N 3.08Å; C354-R357 PolarHBondContact O-N 2.67Å; R357-L361 PolarHBondContact O-N 2.72Å |
| 358 | L | 96 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 175.6 | -67.2 | -179.6 | 0 | 0 | 0 | 111.1 | V214 F335 I338 C354 N355 V356 E360 L361 L362 N412 | V214-L358 HydrophobicContact CG1-CD1 4.25Å; V214-L358 HydrophobicContact CG2-CD1 3.71Å; F335-L358 HydrophobicContact CD1-CD2 3.88Å; F335-L358 HydrophobicContact CD2-CD2 3.68Å; F335-L358 HydrophobicContact CE1-CD1 4.48Å; F335-L358 HydrophobicContact CE1-CD2 3.94Å; F335-L358 HydrophobicContact CE2-CB 4.27Å; F335-L358 HydrophobicContact CE2-CD2 3.74Å; F335-L358 HydrophobicContact CE2-CG 4.41Å; F335-L358 HydrophobicContact CG-CD2 3.77Å; F335-L358 HydrophobicContact CZ-CD1 4.18Å; F335-L358 HydrophobicContact CZ-CD2 3.87Å; F335-L358 HydrophobicContact CZ-CG 4.45Å; I338-L358 HydrophobicContact CB-CD2 3.76Å; I338-L358 HydrophobicContact CD1-CD2 4.07Å; I338-L358 HydrophobicContact CG2-CD2 3.55Å; I338-L358 HydrophobicContact CG2-CG 3.77Å; C354-L358 WeakPolarHBondContact O-CG 3.4Å; C354-L358 PolarHBondContact O-N 3.27Å; N355-L358 PolarHBondContact O-N 2.89Å; V356-L358 PolarHBondContact O-N 3.11Å; L358-E360 VanDerWaalsContact C-N 3.34Å; L358-E360 PolarHBondContact O-N 3.32Å; L358-L361 WeakPolarHBondContact O-CB 3.47Å; L358-L361 PolarHBondContact O-N 2.96Å; L358-L361 VanDerWaalsContact O-N 3.12Å; L358-L362 WeakPolarHBondContact O-CG 3.34Å; L358-L362 PolarHBondContact O-N 3.45Å; L358-L362 VanDerWaalsContact O-N 3.07Å; L358-N412 WeakPolarHBondContact CB-ND2 3.31Å |
| 359 | G | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.1 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | N355 V356 L361 L362 N363 Y396 | N355-G359 PolarHBondContact O-N 3.04Å; V356-G359 PolarHBondContact O-N 2.87Å; G359-L361 VanDerWaalsContact C-N 3.3Å; G359-L361 PolarHBondContact O-N 3.31Å; G359-L362 PolarHBondContact O-N 3.32Å; G359-N363 VanDerWaalsContact O-CG 3.27Å; G359-N363 PolarHBondContact O-N 2.8Å; G359-N363 PolarHBondContact O-ND2 3.41Å; G359-Y396 WeakPolarHBondContact CA-O 3.34Å |
| 360 | E | 97.6 | Very high | 93.6 | Very high | 97 Ų | 97 | 40.1 Ų | 40.1 | 45% | 0.453 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.7 | -39.3 | 173.8 | -75.8 | 178 | -171.2 | 0 | 0 | 112.9 | V356 L358 K364 | V356-E360 WeakPolarHBondContact O-CG 3.43Å; V356-E360 PolarHBondContact O-N 2.84Å; L358-E360 VanDerWaalsContact C-N 3.34Å; L358-E360 PolarHBondContact O-N 3.32Å; E360-K364 WeakPolarHBondContact O-CB 3.38Å; E360-K364 VanDerWaalsContact O-CG 3.28Å; E360-K364 WeakPolarHBondContact O-CG 3.22Å; E360-K364 PolarHBondContact O-N 2.99Å |
| 361 | L | 97.6 | Very high | 94.7 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.7 | -42 | 176 | -66.8 | -178.8 | 0 | 0 | 0 | 111.7 | M31 R331 D334 F335 I338 R357 L358 G359 K364 S365 | M31-L361 HydrophobicContact CE-CB 3.67Å; R331-L361 HydrophobicContact CB-CD2 4.43Å; R331-L361 HydrophobicContact CG-CD2 4.1Å; D334-L361 HydrophobicContact CB-CD1 3.88Å; D334-L361 HydrophobicContact CB-CD2 4.2Å; F335-L361 HydrophobicContact CB-CD1 3.9Å; F335-L361 HydrophobicContact CD2-CD1 4.3Å; I338-L361 HydrophobicContact CD1-CD1 3.55Å; I338-L361 HydrophobicContact CD1-CG 4.28Å; R357-L361 PolarHBondContact O-N 2.72Å; L358-L361 WeakPolarHBondContact O-CB 3.47Å; L358-L361 PolarHBondContact O-N 2.96Å; L358-L361 VanDerWaalsContact O-N 3.12Å; G359-L361 VanDerWaalsContact C-N 3.3Å; G359-L361 PolarHBondContact O-N 3.31Å; L361-K364 PolarHBondContact O-N 3.49Å; L361-S365 WeakPolarHBondContact O-CB 3.26Å; L361-S365 PolarHBondContact O-N 3.06Å |
| 362 | L | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 176.6 | -62.6 | 174.5 | 0 | 0 | 0 | 110.9 | L30 M31 F335 L358 G359 K364 S365 H366 G397 R399 N412 | L30-L362 WeakPolarHBondContact O-CD2 3.38Å; M31-L362 HydrophobicContact CE-CD2 3.83Å; M31-L362 HydrophobicContact CE-CG 4.47Å; F335-L362 HydrophobicContact CE2-CD2 4.3Å; L358-L362 WeakPolarHBondContact O-CG 3.34Å; L358-L362 PolarHBondContact O-N 3.45Å; L358-L362 VanDerWaalsContact O-N 3.07Å; G359-L362 PolarHBondContact O-N 3.32Å; L362-K364 PolarHBondContact O-N 3.33Å; L362-S365 PolarHBondContact O-N 3.48Å; L362-S365 VanDerWaalsContact O-N 3.17Å; L362-H366 PolarHBondContact O-N 3.36Å; L362-G397 WeakPolarHBondContact CD1-O 3.49Å; L362-R399 HydrophobicContact CB-CB 4.43Å; L362-R399 HydrophobicContact CB-CG 4.37Å; L362-R399 HydrophobicContact CD2-CG 3.78Å; L362-N412 HydrophobicContact CD1-CB 3.5Å |
| 363 | N | 98.1 | Very high | 95.8 | Very high | 42 Ų | 42 | 37.6 Ų | 37.6 | 23% | 0.225 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 179.3 | -65 | -19.9 | 0 | 0 | 0 | 112 | G359 S365 H366 L367 Q384 G397 A398 | G359-N363 VanDerWaalsContact O-CG 3.27Å; G359-N363 PolarHBondContact O-N 2.8Å; G359-N363 PolarHBondContact O-ND2 3.41Å; N363-S365 VanDerWaalsContact C-N 3.28Å; N363-S365 PolarHBondContact O-N 2.85Å; N363-H366 PolarHBondContact O-N 2.9Å; N363-L367 WeakPolarHBondContact O-CB 3.47Å; N363-L367 PolarHBondContact O-N 3.05Å; N363-Q384 PolarHBondContact OD1-NE2 2.93Å; N363-G397 WeakPolarHBondContact OD1-CA 3.47Å; N363-A398 PolarHBondContact OD1-N 2.88Å |
| 364 | K | 97.9 | Very high | 95.9 | Very high | 113 Ų | 113 | 37.4 Ų | 37.4 | 49% | 0.491 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.7 | -39.3 | 175.4 | -75 | 171.2 | -176.7 | 169.4 | 0 | 111.8 | E360 L361 L362 S368 | E360-K364 WeakPolarHBondContact O-CB 3.38Å; E360-K364 VanDerWaalsContact O-CG 3.28Å; E360-K364 WeakPolarHBondContact O-CG 3.22Å; E360-K364 PolarHBondContact O-N 2.99Å; L361-K364 PolarHBondContact O-N 3.49Å; L362-K364 PolarHBondContact O-N 3.33Å; K364-S368 WeakPolarHBondContact O-CB 3.13Å; K364-S368 PolarHBondContact O-N 3.07Å |
| 365 | S | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.2 | -43.3 | 178.1 | -173.6 | 0 | 0 | 0 | 0 | 112 | E328 L361 L362 N363 L367 S368 C369 R399 | E328-S365 PolarHBondContact OE1-OG 3.02Å; E328-S365 WeakPolarHBondContact OE2-CB 3.36Å; E328-S365 PolarHBondContact OE2-OG 2.76Å; L361-S365 WeakPolarHBondContact O-CB 3.26Å; L361-S365 PolarHBondContact O-N 3.06Å; L362-S365 PolarHBondContact O-N 3.48Å; L362-S365 VanDerWaalsContact O-N 3.17Å; N363-S365 VanDerWaalsContact C-N 3.28Å; N363-S365 PolarHBondContact O-N 2.85Å; S365-L367 PolarHBondContact O-N 2.84Å; S365-S368 CarbonylContact O-C 3.38Å; S365-S368 WeakPolarHBondContact O-CB 3.3Å; S365-S368 PolarHBondContact O-N 3.47Å; S365-S368 VanDerWaalsContact O-N 3.16Å; S365-C369 PolarHBondContact O-N 3.08Å; S365-C369 PolarHBondContact O-SG 2.81Å; S365-R399 PolarHBondContact OG-NH1 2.91Å; S365-R399 PolarHBondContact OG-NH2 2.91Å |
| 366 | H | 97.1 | Very high | 95.7 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.2 | -48.6 | 175.6 | -171.5 | 54.3 | 0 | 0 | 0 | 112.2 | L362 N363 S368 C369 S370 D381 Q384 R399 L400 | L362-H366 PolarHBondContact O-N 3.36Å; N363-H366 PolarHBondContact O-N 2.9Å; H366-S368 VanDerWaalsContact C-N 3.26Å; H366-S368 PolarHBondContact O-N 3.41Å; H366-C369 WeakPolarHBondContact O-CB 3.5Å; H366-C369 PolarHBondContact O-N 2.94Å; H366-C369 VanDerWaalsContact O-N 3.07Å; H366-S370 PolarHBondContact O-N 2.92Å; H366-D381 IonicContact CE1-OD1 4Å; H366-D381 PolarHBondContact CE1-OD1 2.69Å; H366-D381 IonicContact NE2-OD1 2.66Å; H366-D381 PolarHBondContact NE2-OD1 3.05Å; H366-Q384 HydrophobicContact CB-CG 4.42Å; H366-Q384 VanDerWaalsContact CD2-CD 3.46Å; H366-Q384 WeakPolarHBondContact CD2-CG 3.36Å; H366-Q384 VanDerWaalsContact NE2-CB 3.31Å; H366-Q384 WeakPolarHBondContact NE2-CB 3.24Å; H366-R399 HydrophobicContact CB-CB 3.92Å; H366-L400 PolarHBondContact ND1-N 3.5Å |
| 367 | L | 97.2 | Very high | 95.5 | Very high | 91 Ų | 91 | 36.1 Ų | 36.1 | 48% | 0.476 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -57.5 | -42.5 | 176.1 | -175 | 67 | 0 | 0 | 0 | 111.5 | N363 S365 S370 Q371 | N363-L367 WeakPolarHBondContact O-CB 3.47Å; N363-L367 PolarHBondContact O-N 3.05Å; S365-L367 PolarHBondContact O-N 2.84Å; L367-S370 PolarHBondContact O-N 2.84Å; L367-Q371 HydrophobicContact CD1-CG 3.98Å; L367-Q371 HydrophobicContact CG-CG 4.49Å; L367-Q371 WeakPolarHBondContact O-CB 3.27Å; L367-Q371 PolarHBondContact O-N 3.45Å |
| 368 | S | 96.3 | Very high | 95.3 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 176.8 | -164.6 | 0 | 0 | 0 | 0 | 112 | H324 R331 K364 S365 H366 L372 Y373 | H324-S368 PolarHBondContact ND1-O 3.17Å; H324-S368 PolarHBondContact ND1-OG 3.29Å; R331-S368 PolarHBondContact NH2-OG 3.43Å; R331-S368 VanDerWaalsContact NH2-OG 3.12Å; K364-S368 WeakPolarHBondContact O-CB 3.13Å; K364-S368 PolarHBondContact O-N 3.07Å; S365-S368 CarbonylContact O-C 3.38Å; S365-S368 WeakPolarHBondContact O-CB 3.3Å; S365-S368 PolarHBondContact O-N 3.47Å; S365-S368 VanDerWaalsContact O-N 3.16Å; H366-S368 VanDerWaalsContact C-N 3.26Å; H366-S368 PolarHBondContact O-N 3.41Å; S368-L372 CarbonylContact O-C 3.59Å; S368-L372 WeakPolarHBondContact O-CA 3.4Å; S368-L372 WeakPolarHBondContact O-CB 3.24Å; S368-L372 PolarHBondContact O-N 3.3Å; S368-Y373 PolarHBondContact O-N 2.96Å |
| 369 | C | 94.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.7 | -43.7 | 174 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | S365 H366 Y373 D374 C375 R399 L400 | S365-C369 PolarHBondContact O-N 3.08Å; S365-C369 PolarHBondContact O-SG 2.81Å; H366-C369 WeakPolarHBondContact O-CB 3.5Å; H366-C369 PolarHBondContact O-N 2.94Å; H366-C369 VanDerWaalsContact O-N 3.07Å; C369-Y373 CarbonylContact O-C 3.52Å; C369-D374 PolarHBondContact O-N 3.37Å; C369-C375 PolarHBondContact O-N 3.22Å; C369-C375 VanDerWaalsContact O-N 3.15Å; C369-C375 PolarHBondContact O-SG 3.34Å; C369-R399 PolarHBondContact SG-NH2 3.32Å; C369-L400 HydrophobicContact CB-CD1 4.21Å; C369-L400 HydrophobicContact CB-CD2 3.78Å; C369-L400 HydrophobicContact CB-CG 4.11Å |
| 370 | S | 95.1 | Very high | 95 | Very high | 31 Ų | 31 | 42.8 Ų | 42.8 | 22% | 0.217 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.1 | -54 | 177.6 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | H366 L367 D374 D381 | H366-S370 PolarHBondContact O-N 2.92Å; L367-S370 PolarHBondContact O-N 2.84Å; S370-D374 WeakPolarHBondContact O-CA 3.46Å; S370-D374 PolarHBondContact O-N 2.96Å; S370-D381 PolarHBondContact OG-OD2 3.19Å |
| 371 | Q | 95.5 | Very high | 94.9 | Very high | 128 Ų | 128 | 40.1 Ų | 40.1 | 60% | 0.598 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -91.6 | -45.1 | -167.9 | -61.8 | -175.5 | -16.7 | 0 | 0 | 114.8 | L367 | L367-Q371 HydrophobicContact CD1-CG 3.98Å; L367-Q371 HydrophobicContact CG-CG 4.49Å; L367-Q371 WeakPolarHBondContact O-CB 3.27Å; L367-Q371 PolarHBondContact O-N 3.45Å |
| 372 | L | 95.2 | Very high | 94.7 | Very high | 37 Ų | 37 | 43.2 Ų | 43.2 | 19% | 0.194 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -33.3 | -176.8 | -61.9 | -175.4 | 0 | 0 | 0 | 111.4 | N320 R321 L323 H324 S368 | N320-L372 CarbonylContact C-O 3.46Å; N320-L372 HydrophobicContact CB-CB 4.47Å; N320-L372 HydrophobicContact CB-CD2 4.42Å; N320-L372 WeakPolarHBondContact CB-O 3.39Å; R321-L372 PolarHBondContact NH1-O 2.81Å; L323-L372 HydrophobicContact CD2-CD1 4.07Å; L323-L372 HydrophobicContact CD2-CD2 4.47Å; L323-L372 HydrophobicContact CG-CD1 4.12Å; H324-L372 HydrophobicContact CB-CB 3.85Å; S368-L372 CarbonylContact O-C 3.59Å; S368-L372 WeakPolarHBondContact O-CA 3.4Å; S368-L372 WeakPolarHBondContact O-CB 3.24Å; S368-L372 PolarHBondContact O-N 3.3Å |
| 373 | Y | 93.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -97.3 | -17.6 | -177.5 | -145.8 | -90.4 | 0 | 0 | 0 | 114.8 | H34 Y43 R237 C241 R321 H324 S368 C369 C375 | H34-Y373 AromaticContact CD2-CD2 3.61Å; H34-Y373 AromaticContact CD2-CE2 3.53Å; H34-Y373 AromaticContact CD2-CG 3.95Å; H34-Y373 AromaticContact CD2-CZ 3.86Å; H34-Y373 AromaticContact CE1-CD1 3.36Å; H34-Y373 WeakPolarHBondContact CE1-CD1 3.3Å; H34-Y373 AromaticContact CE1-CD2 3.73Å; H34-Y373 AromaticContact CE1-CE1 2.73Å; H34-Y373 WeakPolarHBondContact CE1-CE1 3.25Å; H34-Y373 AromaticContact CE1-CE2 3.15Å; H34-Y373 WeakPolarHBondContact CE1-CE2 3.44Å; H34-Y373 AromaticContact CE1-CG 3.84Å; H34-Y373 AromaticContact CE1-CZ 2.64Å; H34-Y373 PolarHBondContact CE1-OH 2.69Å; H34-Y373 AromaticContact CG-CD1 3.81Å; H34-Y373 AromaticContact CG-CE1 3.96Å; H34-Y373 AromaticContact CG-CG 3.91Å; H34-Y373 AromaticContact ND1-CD1 3.19Å; H34-Y373 WeakPolarHBondContact ND1-CD1 3.4Å; H34-Y373 AromaticContact ND1-CE1 3.03Å; H34-Y373 WeakPolarHBondContact ND1-CE1 3.22Å; H34-Y373 AromaticContact ND1-CE2 3.89Å; H34-Y373 AromaticContact ND1-CG 3.75Å; H34-Y373 AromaticContact ND1-CZ 3.45Å; H34-Y373 AromaticContact NE2-CD1 3.93Å; H34-Y373 AromaticContact NE2-CD2 3.43Å; H34-Y373 WeakPolarHBondContact NE2-CD2 3.34Å; H34-Y373 AromaticContact NE2-CE1 3.46Å; H34-Y373 WeakPolarHBondContact NE2-CE1 3.49Å; H34-Y373 AromaticContact NE2-CE2 2.84Å; H34-Y373 WeakPolarHBondContact NE2-CE2 3.32Å; H34-Y373 AromaticContact NE2-CG 3.95Å; H34-Y373 AromaticContact NE2-CZ 2.91Å; H34-Y373 PolarHBondContact NE2-OH 2.83Å; H34-Y373 VanDerWaalsContact NE2-OH 3.11Å; Y43-Y373 PolarHBondContact OH-OH 3.46Å; R237-Y373 WeakPolarHBondContact CA-OH 3.2Å; R237-Y373 HydrophobicContact CB-CE1 3.63Å; R237-Y373 WeakPolarHBondContact CB-OH 3.48Å; R237-Y373 HydrophobicContact CG-CD1 4.42Å; R237-Y373 HydrophobicContact CG-CE1 3.41Å; R237-Y373 VanDerWaalsContact CG-CE1 3.41Å; R237-Y373 PolarHBondContact NE-O 3.24Å; R237-Y373 VanDerWaalsContact NE-O 3.07Å; R237-Y373 PolarHBondContact O-OH 3.27Å; R237-Y373 VanDerWaalsContact O-OH 3.04Å; C241-Y373 PolarHBondContact SG-OH 3.24Å; R321-Y373 HydrophobicContact CB-CE2 3.76Å; R321-Y373 VanDerWaalsContact CD-CE2 3.43Å; R321-Y373 HydrophobicContact CG-CE2 3.79Å; R321-Y373 VanDerWaalsContact NH1-C 3.28Å; R321-Y373 PolarHBondContact NH1-O 3.41Å; H324-Y373 HydrophobicContact CB-CD2 3.73Å; H324-Y373 AromaticContact CD2-CD2 3.08Å; H324-Y373 WeakPolarHBondContact CD2-CD2 3.45Å; H324-Y373 AromaticContact CD2-CE2 3.94Å; H324-Y373 AromaticContact CD2-CG 3.56Å; H324-Y373 AromaticContact CG-CD2 3.44Å; H324-Y373 VanDerWaalsContact CG-CD2 3.44Å; H324-Y373 AromaticContact CG-CG 3.91Å; H324-Y373 AromaticContact NE2-CD2 3.86Å; H324-Y373 AromaticContact NE2-CG 3.86Å; S368-Y373 PolarHBondContact O-N 2.96Å; C369-Y373 CarbonylContact O-C 3.52Å; Y373-C375 HydrophobicContact CD1-CB 3.9Å |
| 374 | D | 93.2 | Very high | 94.5 | Very high | 78 Ų | 78 | 42.4 Ų | 42.4 | 42% | 0.417 | 21% | 0.212 | S | C | . | . | trans | 51.5 | 59 | 177.2 | -178.7 | 32.1 | 0 | 0 | 0 | 111.6 | R237 R321 C369 S370 W405 | R237-D374 IonicContact CZ-OD2 3.74Å; R237-D374 PolarHBondContact NE-O 3.43Å; R237-D374 VanDerWaalsContact NH2-CG 3.29Å; R237-D374 PolarHBondContact NH2-O 3.08Å; R237-D374 IonicContact NH2-OD2 3.61Å; R237-D374 PolarHBondContact NH2-OD2 2.9Å; R321-D374 IonicContact NH2-OD2 2.99Å; C369-D374 PolarHBondContact O-N 3.37Å; S370-D374 WeakPolarHBondContact O-CA 3.46Å; S370-D374 PolarHBondContact O-N 2.96Å; D374-W405 WeakPolarHBondContact O-CZ2 3.45Å | ||
| 375 | C | 90.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -144.8 | 4.8 | -174.5 | 65.9 | 0 | 0 | 0 | 0 | 114.1 | P35 C369 Y373 G404 W405 | P35-C375 HydrophobicContact CB-CB 4.4Å; P35-C375 WeakPolarHBondContact CD-SG 3.25Å; P35-C375 HydrophobicContact CG-CB 3.09Å; P35-C375 WeakPolarHBondContact CG-SG 3.33Å; C369-C375 PolarHBondContact O-N 3.22Å; C369-C375 VanDerWaalsContact O-N 3.15Å; C369-C375 PolarHBondContact O-SG 3.34Å; Y373-C375 HydrophobicContact CD1-CB 3.9Å; C375-G404 CarbonylContact O-C 3.55Å; C375-G404 WeakPolarHBondContact O-CA 3.28Å; C375-W405 HydrophobicContact CB-CH2 3.67Å; C375-W405 HydrophobicContact CB-CZ2 3.6Å; C375-W405 HydrophobicContact CB-CZ3 4.16Å; C375-W405 PolarHBondContact O-N 3.06Å | ||
| 376 | S | 92.6 | Very high | 94.4 | Very high | 11 Ų | 11 | 43 Ų | 43 | 8% | 0.077 | 22% | 0.222 | C | C | . | . | trans | -81.3 | -175.7 | 165.1 | -156.8 | 0 | 0 | 0 | 0 | 110.3 | L380 D381 | S376-L380 WeakPolarHBondContact OG-CB 3.35Å; S376-D381 WeakPolarHBondContact CB-OD1 3.18Å; S376-D381 PolarHBondContact OG-OD1 3.06Å | ||
| 377 | C | 91 | Very high | 94.3 | Very high | 24 Ų | 24 | 42.6 Ų | 42.6 | 16% | 0.162 | 22% | 0.221 | C | C | . | . | trans | -141.1 | 166.8 | 163.6 | 68.9 | 0 | 0 | 0 | 0 | 108.8 | E379 L380 D381 | C377-E379 PolarHBondContact O-N 3.22Å; C377-E379 PolarHBondContact SG-OE2 2.88Å; C377-L380 PolarHBondContact O-N 3.39Å; C377-D381 PolarHBondContact O-N 3.48Å | ||
| 378 | K | 92.8 | Very high | 94.3 | Very high | 131 Ų | 131 | 39.8 Ų | 39.8 | 57% | 0.57 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -53.4 | -41.8 | -178.3 | -168 | -164 | -177 | -46.4 | 0 | 111.9 | L380 D381 D382 | K378-L380 VanDerWaalsContact C-N 3.34Å; K378-L380 PolarHBondContact O-N 2.87Å; K378-D381 PolarHBondContact O-N 3.06Å; K378-D382 IonicContact NZ-OD1 3.71Å; K378-D382 PolarHBondContact NZ-OD1 2.96Å; K378-D382 IonicContact NZ-OD2 3.67Å; K378-D382 PolarHBondContact NZ-OD2 3.24Å; K378-D382 WeakPolarHBondContact O-CB 3.48Å; K378-D382 PolarHBondContact O-N 2.93Å |
| 379 | E | 91.9 | Very high | 94.3 | Very high | 90 Ų | 90 | 42.7 Ų | 42.7 | 42% | 0.421 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.7 | -30.5 | -177.6 | -59.6 | 83.1 | 177 | 0 | 0 | 113 | V223 C377 L383 | V223-E379 HydrophobicContact CG2-CB 3.62Å; V223-E379 HydrophobicContact CG2-CG 3.49Å; V223-E379 VanDerWaalsContact CG2-CG 3.49Å; C377-E379 PolarHBondContact O-N 3.22Å; C377-E379 PolarHBondContact SG-OE2 2.88Å; E379-L383 WeakPolarHBondContact O-CB 3.48Å; E379-L383 PolarHBondContact O-N 3.43Å |
| 380 | L | 92.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.7 | -44.6 | 172 | -73.8 | 169 | 0 | 0 | 0 | 110.7 | S376 C377 K378 L383 Q384 L400 L409 | S376-L380 WeakPolarHBondContact OG-CB 3.35Å; C377-L380 PolarHBondContact O-N 3.39Å; K378-L380 VanDerWaalsContact C-N 3.34Å; K378-L380 PolarHBondContact O-N 2.87Å; L380-L383 PolarHBondContact O-N 3.02Å; L380-Q384 VanDerWaalsContact O-CB 3.3Å; L380-Q384 WeakPolarHBondContact O-CB 3.31Å; L380-Q384 PolarHBondContact O-N 2.7Å; L380-L400 HydrophobicContact CD1-CB 4.14Å; L380-L400 HydrophobicContact CD1-CD2 4.17Å; L380-L400 HydrophobicContact CD2-CB 4.41Å; L380-L409 HydrophobicContact CB-CD2 4.24Å; L380-L409 HydrophobicContact CD2-CD2 3.7Å; L380-L409 HydrophobicContact CD2-CG 4.13Å |
| 381 | D | 95.9 | Very high | 94.3 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 21% | 0.214 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -48.5 | -179.5 | -67.2 | -8.6 | 0 | 0 | 0 | 110.7 | H366 S370 S376 C377 K378 L383 Q384 D385 | H366-D381 IonicContact CE1-OD1 4Å; H366-D381 PolarHBondContact CE1-OD1 2.69Å; H366-D381 IonicContact NE2-OD1 2.66Å; H366-D381 PolarHBondContact NE2-OD1 3.05Å; S370-D381 PolarHBondContact OG-OD2 3.19Å; S376-D381 WeakPolarHBondContact CB-OD1 3.18Å; S376-D381 PolarHBondContact OG-OD1 3.06Å; C377-D381 PolarHBondContact O-N 3.48Å; K378-D381 PolarHBondContact O-N 3.06Å; D381-L383 VanDerWaalsContact C-N 3.34Å; D381-L383 PolarHBondContact O-N 3.46Å; D381-Q384 PolarHBondContact O-N 3.49Å; D381-D385 WeakPolarHBondContact O-CB 3.09Å; D381-D385 PolarHBondContact O-N 3.35Å |
| 382 | D | 94.7 | Very high | 94.1 | Very high | 78 Ų | 78 | 49.3 Ų | 49.3 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 176.1 | -68.7 | -15.6 | 0 | 0 | 0 | 111.8 | K378 Q384 D385 S386 | K378-D382 IonicContact NZ-OD1 3.71Å; K378-D382 PolarHBondContact NZ-OD1 2.96Å; K378-D382 IonicContact NZ-OD2 3.67Å; K378-D382 PolarHBondContact NZ-OD2 3.24Å; K378-D382 WeakPolarHBondContact O-CB 3.48Å; K378-D382 PolarHBondContact O-N 2.93Å; D382-Q384 VanDerWaalsContact C-N 3.33Å; D382-D385 PolarHBondContact O-N 3.28Å; D382-S386 WeakPolarHBondContact O-CB 3.38Å; D382-S386 PolarHBondContact O-N 3.33Å |
| 383 | L | 94.1 | Very high | 93.7 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 179.4 | 179.3 | 63.6 | 0 | 0 | 0 | 110.9 | C219 E379 L380 D381 L387 L409 L429 | C219-L383 HydrophobicContact CB-CD2 4.4Å; E379-L383 WeakPolarHBondContact O-CB 3.48Å; E379-L383 PolarHBondContact O-N 3.43Å; L380-L383 PolarHBondContact O-N 3.02Å; D381-L383 VanDerWaalsContact C-N 3.34Å; D381-L383 PolarHBondContact O-N 3.46Å; L383-L387 HydrophobicContact CD1-CG 4.36Å; L383-L387 HydrophobicContact CG-CD1 4.28Å; L383-L387 WeakPolarHBondContact O-CB 3.43Å; L383-L387 VanDerWaalsContact O-CG 3.24Å; L383-L387 WeakPolarHBondContact O-CG 3.27Å; L383-L387 PolarHBondContact O-N 2.82Å; L383-L409 HydrophobicContact CB-CD1 3.9Å; L383-L409 HydrophobicContact CD2-CD1 3.77Å; L383-L409 HydrophobicContact CD2-CG 4.1Å; L383-L409 HydrophobicContact CG-CD1 3.59Å; L383-L409 HydrophobicContact CG-CG 4.44Å; L383-L429 HydrophobicContact CD1-CD2 3.62Å |
| 384 | Q | 96.4 | Very high | 93.7 | Very high | 13 Ų | 13 | 52 Ų | 52 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 178.5 | -168 | -85.6 | -3.2 | 0 | 0 | 110.5 | N363 H366 L380 D381 D382 S386 L387 V388 A398 L409 | N363-Q384 PolarHBondContact OD1-NE2 2.93Å; H366-Q384 HydrophobicContact CB-CG 4.42Å; H366-Q384 VanDerWaalsContact CD2-CD 3.46Å; H366-Q384 WeakPolarHBondContact CD2-CG 3.36Å; H366-Q384 VanDerWaalsContact NE2-CB 3.31Å; H366-Q384 WeakPolarHBondContact NE2-CB 3.24Å; L380-Q384 VanDerWaalsContact O-CB 3.3Å; L380-Q384 WeakPolarHBondContact O-CB 3.31Å; L380-Q384 PolarHBondContact O-N 2.7Å; D381-Q384 PolarHBondContact O-N 3.49Å; D382-Q384 VanDerWaalsContact C-N 3.33Å; Q384-S386 PolarHBondContact O-N 2.95Å; Q384-L387 PolarHBondContact O-N 2.75Å; Q384-V388 WeakPolarHBondContact O-CG2 3.25Å; Q384-V388 PolarHBondContact O-N 2.95Å; Q384-A398 HydrophobicContact CG-CB 3.93Å; Q384-A398 WeakPolarHBondContact CG-O 3.3Å; Q384-A398 PolarHBondContact NE2-O 3.26Å; Q384-L409 VanDerWaalsContact CA-CD1 3.49Å; Q384-L409 HydrophobicContact CB-CD1 3.68Å; Q384-L409 HydrophobicContact CB-CD2 4.29Å; Q384-L409 HydrophobicContact CG-CD1 4.32Å |
| 385 | D | 96.7 | Very high | 93.9 | Very high | 100 Ų | 100 | 48.6 Ų | 48.6 | 54% | 0.535 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 177.2 | -83 | -20.8 | 0 | 0 | 0 | 111.2 | D381 D382 V388 S389 | D381-D385 WeakPolarHBondContact O-CB 3.09Å; D381-D385 PolarHBondContact O-N 3.35Å; D382-D385 PolarHBondContact O-N 3.28Å; D385-V388 PolarHBondContact O-N 2.83Å; D385-S389 WeakPolarHBondContact O-CB 3.44Å; D385-S389 PolarHBondContact O-N 3.04Å; D385-S389 PolarHBondContact O-OG 2.81Å |
| 386 | S | 94.7 | Very high | 94.1 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 18% | 0.175 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | D382 Q384 V388 S389 E390 | D382-S386 WeakPolarHBondContact O-CB 3.38Å; D382-S386 PolarHBondContact O-N 3.33Å; Q384-S386 PolarHBondContact O-N 2.95Å; S386-V388 PolarHBondContact O-N 2.94Å; S386-S389 PolarHBondContact O-N 2.93Å; S386-E390 VanDerWaalsContact O-CB 3.27Å; S386-E390 WeakPolarHBondContact O-CB 3.5Å; S386-E390 WeakPolarHBondContact O-CG 3.47Å; S386-E390 PolarHBondContact O-N 3.42Å; S386-E390 VanDerWaalsContact OG-CD 3.25Å; S386-E390 PolarHBondContact OG-OE1 3.07Å |
| 387 | L | 95.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 178.9 | -75.6 | 175.6 | 0 | 0 | 0 | 112.2 | C219 L383 Q384 F391 V395 A398 L409 A411 I425 | C219-L387 HydrophobicContact CB-CD1 4.14Å; L383-L387 HydrophobicContact CD1-CG 4.36Å; L383-L387 HydrophobicContact CG-CD1 4.28Å; L383-L387 WeakPolarHBondContact O-CB 3.43Å; L383-L387 VanDerWaalsContact O-CG 3.24Å; L383-L387 WeakPolarHBondContact O-CG 3.27Å; L383-L387 PolarHBondContact O-N 2.82Å; Q384-L387 PolarHBondContact O-N 2.75Å; L387-F391 HydrophobicContact CD2-CD2 4.46Å; L387-F391 HydrophobicContact CD2-CE2 4.5Å; L387-F391 WeakPolarHBondContact O-CB 3.33Å; L387-F391 WeakPolarHBondContact O-CD2 3.38Å; L387-V395 HydrophobicContact CB-CG1 4.48Å; L387-A398 HydrophobicContact CD1-CB 4.42Å; L387-L409 HydrophobicContact CD1-CD1 3.83Å; L387-A411 HydrophobicContact CD1-CB 4.5Å; L387-I425 HydrophobicContact CD2-CD1 3.98Å; L387-I425 HydrophobicContact CD2-CG1 4.09Å; L387-I425 HydrophobicContact CD2-CG2 3.6Å |
| 388 | V | 96.5 | Very high | 94.7 | Very high | 32 Ų | 32 | 48.6 Ų | 48.6 | 19% | 0.194 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -76.2 | -35.2 | -176.5 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | Q384 D385 S386 K392 V395 A398 | Q384-V388 WeakPolarHBondContact O-CG2 3.25Å; Q384-V388 PolarHBondContact O-N 2.95Å; D385-V388 PolarHBondContact O-N 2.83Å; S386-V388 PolarHBondContact O-N 2.94Å; V388-K392 VanDerWaalsContact O-CG 3.27Å; V388-K392 WeakPolarHBondContact O-CG 3.46Å; V388-V395 HydrophobicContact CG2-CG1 4.46Å; V388-A398 HydrophobicContact CG2-CB 4.21Å |
| 389 | S | 95.9 | Very high | 94.9 | Very high | 66 Ų | 66 | 42.3 Ų | 42.3 | 46% | 0.462 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -84.6 | -40.5 | -174.8 | 66.6 | 0 | 0 | 0 | 0 | 114.1 | D385 S386 K392 | D385-S389 WeakPolarHBondContact O-CB 3.44Å; D385-S389 PolarHBondContact O-N 3.04Å; D385-S389 PolarHBondContact O-OG 2.81Å; S386-S389 PolarHBondContact O-N 2.93Å; S389-K392 WeakPolarHBondContact O-CG 3.24Å |
| 390 | E | 95 | Very high | 95 | Very high | 111 Ų | 111 | 38.1 Ų | 38.1 | 52% | 0.519 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -80.6 | -30.9 | -176.7 | -67.1 | 178.4 | -147.8 | 0 | 0 | 112.7 | S386 S428 | S386-E390 VanDerWaalsContact O-CB 3.27Å; S386-E390 WeakPolarHBondContact O-CB 3.5Å; S386-E390 WeakPolarHBondContact O-CG 3.47Å; S386-E390 PolarHBondContact O-N 3.42Å; S386-E390 VanDerWaalsContact OG-CD 3.25Å; S386-E390 PolarHBondContact OG-OE1 3.07Å; E390-S428 PolarHBondContact OE2-OG 2.97Å |
| 391 | F | 94.7 | Very high | 94.9 | Very high | 21 Ų | 21 | 38.1 Ų | 38.1 | 9% | 0.092 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 27.6 | -173.4 | -56.3 | -84.4 | 0 | 0 | 0 | 113.3 | L387 G393 T394 V395 K424 I425 | L387-F391 HydrophobicContact CD2-CD2 4.46Å; L387-F391 HydrophobicContact CD2-CE2 4.5Å; L387-F391 WeakPolarHBondContact O-CB 3.33Å; L387-F391 WeakPolarHBondContact O-CD2 3.38Å; F391-G393 PolarHBondContact O-N 3.29Å; F391-T394 PolarHBondContact O-N 3.37Å; F391-T394 PolarHBondContact O-OG1 2.87Å; F391-V395 HydrophobicContact CB-CB 3.96Å; F391-V395 HydrophobicContact CB-CG2 3.53Å; F391-V395 HydrophobicContact CG-CG2 4.3Å; F391-V395 PolarHBondContact O-N 3.36Å; F391-K424 HydrophobicContact CD1-CB 4.42Å; F391-K424 HydrophobicContact CE1-CB 3.88Å; F391-I425 HydrophobicContact CD1-CG1 3.91Å; F391-I425 HydrophobicContact CD2-CG1 4.02Å; F391-I425 HydrophobicContact CE1-CB 4.43Å; F391-I425 HydrophobicContact CE1-CG1 3.78Å; F391-I425 HydrophobicContact CE2-CB 4.5Å; F391-I425 HydrophobicContact CE2-CG1 3.89Å; F391-I425 HydrophobicContact CG-CG1 4.03Å; F391-I425 HydrophobicContact CZ-CB 4.17Å; F391-I425 HydrophobicContact CZ-CG1 3.77Å |
| 392 | K | 91.4 | Very high | 94.4 | Very high | 166 Ų | 166 | 36.2 Ų | 36.2 | 72% | 0.722 | 20% | 0.202 | S | C | * | . | B | Isolated β-bridge | trans | -48.7 | 133.5 | 175.7 | -73.4 | -178.8 | -176.8 | -179.6 | 0 | 111.6 | V388 S389 T394 | V388-K392 VanDerWaalsContact O-CG 3.27Å; V388-K392 WeakPolarHBondContact O-CG 3.46Å; S389-K392 WeakPolarHBondContact O-CG 3.24Å; K392-T394 VanDerWaalsContact C-N 3.3Å |
| 393 | G | 88.6 | Confident | 93.4 | Very high | 57 Ų | 57 | 32.6 Ų | 32.6 | 59% | 0.588 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -8.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F391 | F391-G393 PolarHBondContact O-N 3.29Š|
| 394 | T | 93.2 | Very high | 93 | Very high | 38 Ų | 38 | 32.1 Ų | 32.1 | 23% | 0.233 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | -34 | 171.4 | 55 | 0 | 0 | 0 | 0 | 112.8 | F391 K392 I413 D414 | F391-T394 PolarHBondContact O-N 3.37Å; F391-T394 PolarHBondContact O-OG1 2.87Å; K392-T394 VanDerWaalsContact C-N 3.3Å; T394-I413 WeakPolarHBondContact O-CA 3.45Å; T394-I413 VanDerWaalsContact O-CB 3.28Å; T394-I413 WeakPolarHBondContact O-CB 3.34Å; T394-D414 PolarHBondContact O-N 3.35Å |
| 395 | V | 96.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.7 | 167.4 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | L387 V388 F391 A411 I413 T421 I425 | L387-V395 HydrophobicContact CB-CG1 4.48Å; V388-V395 HydrophobicContact CG2-CG1 4.46Å; F391-V395 HydrophobicContact CB-CB 3.96Å; F391-V395 HydrophobicContact CB-CG2 3.53Å; F391-V395 HydrophobicContact CG-CG2 4.3Å; F391-V395 PolarHBondContact O-N 3.36Å; V395-A411 HydrophobicContact CG1-CB 4.18Å; V395-I413 HydrophobicContact CB-CG2 4.37Å; V395-I413 HydrophobicContact CG2-CG2 3.72Å; V395-T421 HydrophobicContact CG2-CG2 4.37Å; V395-I425 HydrophobicContact CG2-CD1 4.1Å |
| 396 | Y | 96.4 | Very high | 92.1 | Very high | 35 Ų | 35 | 28.8 Ų | 28.8 | 14% | 0.137 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -26.9 | -176.7 | -65.9 | -89.2 | 0 | 0 | 0 | 113 | N355 V356 G359 N412 D414 | N355-Y396 HydrophobicContact CB-CD1 3.81Å; N355-Y396 HydrophobicContact CB-CD2 3.6Å; N355-Y396 HydrophobicContact CB-CE1 3.78Å; N355-Y396 HydrophobicContact CB-CE2 3.57Å; N355-Y396 HydrophobicContact CB-CG 3.71Å; N355-Y396 WeakPolarHBondContact O-CB 3.4Å; V356-Y396 HydrophobicContact CG2-CD1 3.8Å; V356-Y396 HydrophobicContact CG2-CE1 3.91Å; G359-Y396 WeakPolarHBondContact CA-O 3.34Å; Y396-N412 WeakPolarHBondContact CD2-OD1 3.42Å; Y396-N412 PolarHBondContact N-O 3.39Å; Y396-D414 HydrophobicContact CE2-CB 4.15Å |
| 397 | G | 97.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.6 | 158.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L362 N363 A411 N412 | L362-G397 WeakPolarHBondContact CD1-O 3.49Å; N363-G397 WeakPolarHBondContact OD1-CA 3.47Å; G397-A411 CarbonylContact O-C 3.6Å; G397-A411 WeakPolarHBondContact O-CA 3.22Å; G397-N412 PolarHBondContact O-N 2.85Å |
| 398 | A | 97.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 153.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N363 Q384 L387 V388 V410 A411 | N363-A398 PolarHBondContact OD1-N 2.88Å; Q384-A398 HydrophobicContact CG-CB 3.93Å; Q384-A398 WeakPolarHBondContact CG-O 3.3Å; Q384-A398 PolarHBondContact NE2-O 3.26Å; L387-A398 HydrophobicContact CD1-CB 4.42Å; V388-A398 HydrophobicContact CG2-CB 4.21Å; A398-V410 VanDerWaalsContact CA-O 3.29Å; A398-V410 WeakPolarHBondContact CA-O 3.41Å; A398-A411 HydrophobicContact CB-CB 3.61Å |
| 399 | R | 96.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 157.3 | 176.3 | 62.4 | 164.3 | -62.7 | 135.5 | 37.8 | 111 | L30 E33 E328 L362 S365 H366 C369 L409 V410 | L30-R399 WeakPolarHBondContact O-CD 3.3Å; E33-R399 VanDerWaalsContact CB-NH1 3.31Å; E33-R399 IonicContact OE2-CZ 3.61Å; E33-R399 VanDerWaalsContact OE2-CZ 3.24Å; E33-R399 IonicContact OE2-NE 2.96Å; E33-R399 PolarHBondContact OE2-NE 3.28Å; E33-R399 IonicContact OE2-NH1 2.83Å; E33-R399 IonicContact OE2-NH2 3.63Å; E328-R399 IonicContact OE1-CZ 3.77Å; E328-R399 IonicContact OE1-NH1 3.63Å; E328-R399 PolarHBondContact OE1-NH1 2.79Å; L362-R399 HydrophobicContact CB-CB 4.43Å; L362-R399 HydrophobicContact CB-CG 4.37Å; L362-R399 HydrophobicContact CD2-CG 3.78Å; S365-R399 PolarHBondContact OG-NH1 2.91Å; S365-R399 PolarHBondContact OG-NH2 2.91Å; H366-R399 HydrophobicContact CB-CB 3.92Å; C369-R399 PolarHBondContact SG-NH2 3.32Å; R399-L409 CarbonylContact O-C 3.5Å; R399-L409 WeakPolarHBondContact O-CA 3.48Å; R399-L409 WeakPolarHBondContact O-CB 3.26Å; R399-V410 HydrophobicContact CG-CG1 3.63Å; R399-V410 PolarHBondContact N-O 2.9Å; R399-V410 PolarHBondContact O-N 3.11Å |
| 400 | L | 93.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 143.7 | 165.1 | 61 | 80.7 | 0 | 0 | 0 | 110 | E33 P35 H366 C369 L380 C408 L409 | E33-L400 VanDerWaalsContact OE1-CD1 3.24Å; E33-L400 WeakPolarHBondContact OE1-CD1 3.31Å; E33-L400 VanDerWaalsContact OE1-O 3.09Å; P35-L400 HydrophobicContact CB-CD1 4.4Å; H366-L400 PolarHBondContact ND1-N 3.5Å; C369-L400 HydrophobicContact CB-CD1 4.21Å; C369-L400 HydrophobicContact CB-CD2 3.78Å; C369-L400 HydrophobicContact CB-CG 4.11Å; L380-L400 HydrophobicContact CD1-CB 4.14Å; L380-L400 HydrophobicContact CD1-CD2 4.17Å; L380-L400 HydrophobicContact CD2-CB 4.41Å; L400-C408 CarbonylContact C-O 3.49Å; L400-C408 WeakPolarHBondContact CA-O 3.27Å; L400-L409 HydrophobicContact CB-CD2 3.98Å; L400-L409 VanDerWaalsContact N-CD2 3.33Å |
| 401 | T | 91.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 137.3 | 171.1 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | V28 N29 E33 L132 A403 C408 V410 | V28-T401 HydrophobicContact CG1-CG2 4.25Å; V28-T401 HydrophobicContact CG2-CG2 4.46Å; N29-T401 PolarHBondContact N-OG1 3.33Å; N29-T401 VanDerWaalsContact N-OG1 3.16Å; E33-T401 WeakPolarHBondContact OE1-CA 3.21Å; E33-T401 PolarHBondContact OE1-N 3.1Å; E33-T401 VanDerWaalsContact OE2-CA 3.28Å; E33-T401 WeakPolarHBondContact OE2-CA 3.29Å; L132-T401 HydrophobicContact CD2-CG2 4.19Å; T401-A403 PolarHBondContact O-N 2.93Å; T401-C408 HydrophobicContact CG2-CB 3.68Å; T401-C408 PolarHBondContact N-O 2.86Å; T401-V410 HydrophobicContact CG2-CB 4.34Å |
| 402 | G | 85.2 | Confident | 91.8 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 84.3 | -110.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | E33 P35 L36 G131 | E33-G402 PolarHBondContact OE1-N 2.9Å; P35-G402 CarbonylContact C-O 3.58Å; P35-G402 WeakPolarHBondContact CA-O 3.43Å; P35-G402 WeakPolarHBondContact CB-O 3.31Å; L36-G402 PolarHBondContact N-O 3.07Å; L36-G402 CarbonylContact O-C 3.52Å; L36-G402 VanDerWaalsContact O-O 3.13Å; G131-G402 WeakPolarHBondContact O-CA 3.36Å |
| 403 | A | 74.9 | Confident | 92 | Very high | 2 Ų | 2 | 8.8 Ų | 8.8 | 2% | 0.017 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -112.5 | -4.2 | -144.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | P35 L36 T401 W405 | P35-A403 VanDerWaalsContact CB-O 3.27Å; P35-A403 WeakPolarHBondContact CB-O 3.18Å; L36-A403 HydrophobicContact CB-CB 4.12Å; L36-A403 HydrophobicContact CD2-CB 3.35Å; L36-A403 HydrophobicContact CG-CB 3.64Å; T401-A403 PolarHBondContact O-N 2.93Å; A403-W405 WeakPolarHBondContact O-CZ3 2.75Å |
| 404 | G | 84.6 | Confident | 92.1 | Very high | 1 Ų | 1 | 7.6 Ų | 7.6 | 1% | 0.01 | 4% | 0.037 | C | C | . | . | S | Bend | trans | 62.1 | 175.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P35 C375 G406 | P35-G404 VanDerWaalsContact CB-N 3.27Å; C375-G404 CarbonylContact O-C 3.55Å; C375-G404 WeakPolarHBondContact O-CA 3.28Å; G404-G406 CarbonylContact C-O 3.57Å; G404-G406 PolarHBondContact O-N 3.22Å |
| 405 | W | 88.1 | Confident | 92 | Very high | 44 Ų | 44 | 8.2 Ų | 8.2 | 17% | 0.167 | 4% | 0.043 | C | C | . | . | S | Bend | trans | 48.6 | 33.3 | -175.3 | -51.4 | -80.2 | 0 | 0 | 0 | 112.7 | P35 L233 R237 D374 C375 A403 | P35-W405 HydrophobicContact CB-CZ3 4.49Å; P35-W405 HydrophobicContact CG-CH2 4.41Å; P35-W405 HydrophobicContact CG-CZ3 4.14Å; L233-W405 HydrophobicContact CB-CH2 4.08Å; L233-W405 HydrophobicContact CB-CZ2 3.85Å; L233-W405 HydrophobicContact CD1-CD2 4.2Å; L233-W405 HydrophobicContact CD1-CG 4.27Å; L233-W405 HydrophobicContact CD1-CZ2 4.4Å; R237-W405 HydrophobicContact CG-CH2 3.99Å; R237-W405 HydrophobicContact CG-CZ2 4.33Å; D374-W405 WeakPolarHBondContact O-CZ2 3.45Å; C375-W405 HydrophobicContact CB-CH2 3.67Å; C375-W405 HydrophobicContact CB-CZ2 3.6Å; C375-W405 HydrophobicContact CB-CZ3 4.16Å; C375-W405 PolarHBondContact O-N 3.06Å; A403-W405 WeakPolarHBondContact O-CZ3 2.75Å |
| 406 | G | 87.4 | Confident | 91.7 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | 126.1 | -172.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V223 G404 | V223-G406 CarbonylContact O-C 3.6Å; V223-G406 WeakPolarHBondContact O-CA 3.13Å; G404-G406 CarbonylContact C-O 3.57Å; G404-G406 PolarHBondContact O-N 3.22Å |
| 407 | G | 88.9 | Confident | 91.5 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 86.5 | -146 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A130 N220 S221 V223 | A130-G407 WeakPolarHBondContact O-CA 3.33Å; N220-G407 PolarHBondContact OD1-O 3.24Å; S221-G407 VanDerWaalsContact CB-O 3.29Å; S221-G407 WeakPolarHBondContact CB-O 3.21Å; S221-G407 PolarHBondContact N-O 2.94Å; S221-G407 PolarHBondContact OG-N 3.44Å; S221-G407 PolarHBondContact OG-O 3.09Å; V223-G407 PolarHBondContact O-N 2.93Å |
| 408 | C | 92.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 157.4 | -170.2 | -68 | 0 | 0 | 0 | 0 | 113.8 | A130 L132 V218 C219 L400 T401 | A130-C408 WeakPolarHBondContact O-CB 3.26Å; A130-C408 PolarHBondContact O-N 3.12Å; A130-C408 PolarHBondContact O-SG 2.84Å; L132-C408 HydrophobicContact CD2-CB 4.4Å; V218-C408 HydrophobicContact CG1-CB 3.65Å; C219-C408 CarbonylContact O-C 3.39Å; C219-C408 VanDerWaalsContact O-CA 3.31Å; C219-C408 WeakPolarHBondContact O-CA 3.48Å; L400-C408 CarbonylContact C-O 3.49Å; L400-C408 WeakPolarHBondContact CA-O 3.27Å; T401-C408 HydrophobicContact CG2-CB 3.68Å; T401-C408 PolarHBondContact N-O 2.86Å |
| 409 | L | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 153.2 | 156 | -55.4 | 177.5 | 0 | 0 | 0 | 110.2 | V218 C219 L380 L383 Q384 L387 R399 L400 | V218-L409 CarbonylContact C-O 3.48Å; V218-L409 VanDerWaalsContact CA-O 3.31Å; V218-L409 WeakPolarHBondContact CA-O 3.23Å; C219-L409 PolarHBondContact N-O 3.47Å; C219-L409 PolarHBondContact O-N 3.39Å; L380-L409 HydrophobicContact CB-CD2 4.24Å; L380-L409 HydrophobicContact CD2-CD2 3.7Å; L380-L409 HydrophobicContact CD2-CG 4.13Å; L383-L409 HydrophobicContact CB-CD1 3.9Å; L383-L409 HydrophobicContact CD2-CD1 3.77Å; L383-L409 HydrophobicContact CD2-CG 4.1Å; L383-L409 HydrophobicContact CG-CD1 3.59Å; L383-L409 HydrophobicContact CG-CG 4.44Å; Q384-L409 VanDerWaalsContact CA-CD1 3.49Å; Q384-L409 HydrophobicContact CB-CD1 3.68Å; Q384-L409 HydrophobicContact CB-CD2 4.29Å; Q384-L409 HydrophobicContact CG-CD1 4.32Å; L387-L409 HydrophobicContact CD1-CD1 3.83Å; R399-L409 CarbonylContact O-C 3.5Å; R399-L409 WeakPolarHBondContact O-CA 3.48Å; R399-L409 WeakPolarHBondContact O-CB 3.26Å; L400-L409 HydrophobicContact CB-CD2 3.98Å; L400-L409 VanDerWaalsContact N-CD2 3.33Å |
| 410 | V | 95.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.7 | 159.3 | 58.6 | 0 | 0 | 0 | 0 | 109.1 | V28 N29 L30 F216 V217 A398 R399 T401 | V28-V410 HydrophobicContact CG1-CB 3.52Å; V28-V410 HydrophobicContact CG1-CG1 3.85Å; V28-V410 HydrophobicContact CG1-CG2 3.58Å; N29-V410 WeakPolarHBondContact O-CG1 3.34Å; L30-V410 HydrophobicContact CD2-CG2 4.13Å; F216-V410 HydrophobicContact CB-CG2 3.99Å; F216-V410 HydrophobicContact CD1-CG2 4Å; F216-V410 HydrophobicContact CG-CG2 4.26Å; V217-V410 WeakPolarHBondContact O-CA 3.38Å; A398-V410 VanDerWaalsContact CA-O 3.29Å; A398-V410 WeakPolarHBondContact CA-O 3.41Å; R399-V410 HydrophobicContact CG-CG1 3.63Å; R399-V410 PolarHBondContact N-O 2.9Å; R399-V410 PolarHBondContact O-N 3.11Å; T401-V410 HydrophobicContact CG2-CB 4.34Å |
| 411 | A | 97.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 137.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F216 V217 L387 V395 G397 A398 | F216-A411 VanDerWaalsContact CA-O 3.3Å; F216-A411 WeakPolarHBondContact CA-O 3.34Å; V217-A411 HydrophobicContact CG1-CB 3.74Å; V217-A411 PolarHBondContact N-O 3.35Å; V217-A411 PolarHBondContact O-N 3.16Å; L387-A411 HydrophobicContact CD1-CB 4.5Å; V395-A411 HydrophobicContact CG1-CB 4.18Å; G397-A411 CarbonylContact O-C 3.6Å; G397-A411 WeakPolarHBondContact O-CA 3.22Å; A398-A411 HydrophobicContact CB-CB 3.61Å |
| 412 | N | 95.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 125.2 | 167 | 173.3 | -41.4 | 0 | 0 | 0 | 109 | F216 N355 L358 L362 Y396 G397 | F216-N412 HydrophobicContact CE1-CB 4.47Å; N355-N412 PolarHBondContact OD1-ND2 3.24Å; N355-N412 PolarHBondContact OD1-OD1 2.87Å; N355-N412 VanDerWaalsContact OD1-OD1 3.12Å; L358-N412 WeakPolarHBondContact CB-ND2 3.31Å; L362-N412 HydrophobicContact CD1-CB 3.5Å; Y396-N412 WeakPolarHBondContact CD2-OD1 3.42Å; Y396-N412 PolarHBondContact N-O 3.39Å; G397-N412 PolarHBondContact O-N 2.85Å |
| 413 | I | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 161.2 | 172.5 | 64.7 | 175.4 | 0 | 0 | 0 | 111.2 | C215 V217 T394 V395 S415 A418 T421 V422 L445 | C215-I413 HydrophobicContact CB-CG1 3.95Å; C215-I413 PolarHBondContact N-O 2.83Å; C215-I413 PolarHBondContact O-N 3.5Å; C215-I413 VanDerWaalsContact O-O 3.13Å; V217-I413 HydrophobicContact CB-CD1 4.2Å; V217-I413 HydrophobicContact CG1-CD1 4.28Å; V217-I413 HydrophobicContact CG1-CG2 3.85Å; T394-I413 WeakPolarHBondContact O-CA 3.45Å; T394-I413 VanDerWaalsContact O-CB 3.28Å; T394-I413 WeakPolarHBondContact O-CB 3.34Å; V395-I413 HydrophobicContact CB-CG2 4.37Å; V395-I413 HydrophobicContact CG2-CG2 3.72Å; I413-S415 PolarHBondContact O-N 3.15Å; I413-A418 HydrophobicContact CD1-CB 3.9Å; I413-T421 HydrophobicContact CG2-CG2 4.24Å; I413-V422 HydrophobicContact CD1-CG2 4.31Å; I413-L445 HydrophobicContact CD1-CD2 3.66Å |
| 414 | D | 91.6 | Very high | 92.8 | Very high | 31 Ų | 31 | 39.5 Ų | 39.5 | 17% | 0.166 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 136.6 | 169 | -154 | -51.3 | 0 | 0 | 0 | 110.2 | T394 Y396 E416 A418 | T394-D414 PolarHBondContact O-N 3.35Å; Y396-D414 HydrophobicContact CE2-CB 4.15Å; D414-E416 PolarHBondContact O-N 3.08Å; D414-E416 WeakPolarHBondContact OD1-CB 3.47Å; D414-E416 PolarHBondContact OD1-N 3.13Å; D414-A418 WeakPolarHBondContact O-CB 3.44Å |
| 415 | S | 91.3 | Very high | 93.2 | Very high | 51 Ų | 51 | 39.5 Ų | 39.5 | 36% | 0.357 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -58 | -35.9 | 167.5 | 63.8 | 0 | 0 | 0 | 0 | 113 | Q212 S213 I413 G417 A418 | Q212-S415 WeakPolarHBondContact O-CB 3.29Å; Q212-S415 PolarHBondContact O-OG 3.43Å; S213-S415 VanDerWaalsContact CA-OG 3.29Å; S213-S415 WeakPolarHBondContact CA-OG 3.44Å; S213-S415 PolarHBondContact O-N 2.68Å; S213-S415 PolarHBondContact O-OG 3.29Å; I413-S415 PolarHBondContact O-N 3.15Å; S415-G417 PolarHBondContact O-N 3.09Å; S415-A418 WeakPolarHBondContact O-CB 3.33Å; S415-A418 PolarHBondContact O-N 3.08Å |
| 416 | E | 90.2 | Very high | 93.4 | Very high | 165 Ų | 165 | 39.1 Ų | 39.1 | 77% | 0.771 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 115.6 | 178.5 | -171 | 172.1 | 179.4 | 0 | 0 | 108.9 | D414 A418 | D414-E416 PolarHBondContact O-N 3.08Å; D414-E416 WeakPolarHBondContact OD1-CB 3.47Å; D414-E416 PolarHBondContact OD1-N 3.13Å; E416-A418 VanDerWaalsContact C-N 3.31Å |
| 417 | G | 91.4 | Very high | 93.4 | Very high | 41 Ų | 41 | 43.5 Ų | 43.5 | 42% | 0.423 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 18.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S415 E419 A420 T421 | S415-G417 PolarHBondContact O-N 3.09Å; G417-E419 VanDerWaalsContact C-N 3.31Å; G417-E419 PolarHBondContact O-N 2.98Å; G417-A420 PolarHBondContact O-N 2.83Å; G417-T421 PolarHBondContact O-N 3.06Å; G417-T421 PolarHBondContact O-OG1 2.85Å |
| 418 | A | 94.6 | Very high | 93.4 | Very high | 9 Ų | 9 | 45 Ų | 45 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.1 | -46.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | C215 I413 D414 S415 E416 T421 V422 L445 | C215-A418 HydrophobicContact CB-CB 4.38Å; I413-A418 HydrophobicContact CD1-CB 3.9Å; D414-A418 WeakPolarHBondContact O-CB 3.44Å; S415-A418 WeakPolarHBondContact O-CB 3.33Å; S415-A418 PolarHBondContact O-N 3.08Å; E416-A418 VanDerWaalsContact C-N 3.31Å; A418-T421 WeakPolarHBondContact O-CB 3.12Å; A418-T421 PolarHBondContact O-N 2.78Å; A418-V422 WeakPolarHBondContact O-CG2 3.48Å; A418-V422 PolarHBondContact O-N 2.87Å; A418-L445 HydrophobicContact CB-CD1 4.24Å; A418-L445 HydrophobicContact CB-CD2 3.96Å |
| 419 | E | 95.1 | Very high | 93.1 | Very high | 155 Ų | 155 | 45.7 Ų | 45.7 | 72% | 0.724 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.6 | -46.2 | 178.6 | -66.9 | -178.1 | 172.6 | 0 | 0 | 112.2 | G417 T421 V422 E423 L445 | G417-E419 VanDerWaalsContact C-N 3.31Å; G417-E419 PolarHBondContact O-N 2.98Å; E419-T421 VanDerWaalsContact C-N 3.28Å; E419-T421 PolarHBondContact O-N 2.83Å; E419-V422 PolarHBondContact O-N 3.26Å; E419-E423 PolarHBondContact O-N 3.05Å; E419-L445 HydrophobicContact CG-CD1 3.81Å |
| 420 | A | 95.3 | Very high | 92.4 | Very high | 47 Ų | 47 | 49.9 Ų | 49.9 | 39% | 0.388 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.6 | -34.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | G417 K424 | G417-A420 PolarHBondContact O-N 2.83Å; A420-K424 VanDerWaalsContact O-CG 3.26Å; A420-K424 WeakPolarHBondContact O-CG 3.37Å; A420-K424 PolarHBondContact O-N 2.93Å |
| 421 | T | 95.2 | Very high | 91.5 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.025 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.9 | -46.1 | 174.4 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | V395 I413 G417 A418 E419 E423 K424 I425 | V395-T421 HydrophobicContact CG2-CG2 4.37Å; I413-T421 HydrophobicContact CG2-CG2 4.24Å; G417-T421 PolarHBondContact O-N 3.06Å; G417-T421 PolarHBondContact O-OG1 2.85Å; A418-T421 WeakPolarHBondContact O-CB 3.12Å; A418-T421 PolarHBondContact O-N 2.78Å; E419-T421 VanDerWaalsContact C-N 3.28Å; E419-T421 PolarHBondContact O-N 2.83Å; T421-E423 VanDerWaalsContact C-N 3.34Å; T421-E423 PolarHBondContact O-N 2.93Å; T421-K424 PolarHBondContact O-N 2.96Å; T421-I425 HydrophobicContact CG2-CD1 4.02Å; T421-I425 VanDerWaalsContact O-CG1 3.32Å; T421-I425 WeakPolarHBondContact O-CG1 3.31Å; T421-I425 PolarHBondContact O-N 2.93Å |
| 422 | V | 94.8 | Very high | 90.2 | Very high | 22 Ų | 22 | 60.4 Ų | 60.4 | 13% | 0.133 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62 | -40.3 | 176.2 | 170.6 | 0 | 0 | 0 | 0 | 112.1 | V217 I413 A418 E419 K424 I425 N426 L443 L445 | V217-V422 HydrophobicContact CB-CG2 4.1Å; V217-V422 HydrophobicContact CG2-CG2 3.75Å; I413-V422 HydrophobicContact CD1-CG2 4.31Å; A418-V422 WeakPolarHBondContact O-CG2 3.48Å; A418-V422 PolarHBondContact O-N 2.87Å; E419-V422 PolarHBondContact O-N 3.26Å; V422-K424 PolarHBondContact O-N 2.85Å; V422-I425 PolarHBondContact O-N 3.49Å; V422-N426 WeakPolarHBondContact O-CB 3.47Å; V422-N426 PolarHBondContact O-N 2.95Å; V422-L443 HydrophobicContact CG1-CD1 3.88Å; V422-L443 HydrophobicContact CG1-CG 4.2Å; V422-L445 HydrophobicContact CG2-CD2 3.41Å; V422-L445 VanDerWaalsContact CG2-CD2 3.41Å; V422-L445 HydrophobicContact CG2-CG 3.77Å |
| 423 | E | 93.8 | Very high | 88.3 | Confident | 133 Ų | 133 | 72 Ų | 72 | 62% | 0.621 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.4 | -43.1 | 175.4 | -172.2 | 175.6 | -168.9 | 0 | 0 | 111.8 | E419 T421 N426 M427 | E419-E423 PolarHBondContact O-N 3.05Å; T421-E423 VanDerWaalsContact C-N 3.34Å; T421-E423 PolarHBondContact O-N 2.93Å; E423-N426 PolarHBondContact O-N 3.16Å; E423-M427 WeakPolarHBondContact O-CB 3.32Å; E423-M427 VanDerWaalsContact O-CG 3.28Å; E423-M427 WeakPolarHBondContact O-CG 3.36Å; E423-M427 PolarHBondContact O-N 3.36Å |
| 424 | K | 94.1 | Very high | 86.8 | Confident | 125 Ų | 125 | 76.4 Ų | 76.4 | 54% | 0.543 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.3 | -70.8 | 170.6 | -177 | 175.6 | 0 | 112.2 | F391 A420 T421 V422 M427 S428 | F391-K424 HydrophobicContact CD1-CB 4.42Å; F391-K424 HydrophobicContact CE1-CB 3.88Å; A420-K424 VanDerWaalsContact O-CG 3.26Å; A420-K424 WeakPolarHBondContact O-CG 3.37Å; A420-K424 PolarHBondContact O-N 2.93Å; T421-K424 PolarHBondContact O-N 2.96Å; V422-K424 PolarHBondContact O-N 2.85Å; K424-M427 PolarHBondContact O-N 3.07Å; K424-S428 PolarHBondContact O-N 3.1Å |
| 425 | I | 93.9 | Very high | 85.2 | Confident | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.005 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61 | -50.4 | 175.4 | -65.9 | 165.6 | 0 | 0 | 0 | 109.8 | V217 L387 F391 V395 T421 V422 M427 S428 L429 L443 | V217-I425 HydrophobicContact CG1-CD1 4.35Å; L387-I425 HydrophobicContact CD2-CD1 3.98Å; L387-I425 HydrophobicContact CD2-CG1 4.09Å; L387-I425 HydrophobicContact CD2-CG2 3.6Å; F391-I425 HydrophobicContact CD1-CG1 3.91Å; F391-I425 HydrophobicContact CD2-CG1 4.02Å; F391-I425 HydrophobicContact CE1-CB 4.43Å; F391-I425 HydrophobicContact CE1-CG1 3.78Å; F391-I425 HydrophobicContact CE2-CB 4.5Å; F391-I425 HydrophobicContact CE2-CG1 3.89Å; F391-I425 HydrophobicContact CG-CG1 4.03Å; F391-I425 HydrophobicContact CZ-CB 4.17Å; F391-I425 HydrophobicContact CZ-CG1 3.77Å; V395-I425 HydrophobicContact CG2-CD1 4.1Å; T421-I425 HydrophobicContact CG2-CD1 4.02Å; T421-I425 VanDerWaalsContact O-CG1 3.32Å; T421-I425 WeakPolarHBondContact O-CG1 3.31Å; T421-I425 PolarHBondContact O-N 2.93Å; V422-I425 PolarHBondContact O-N 3.49Å; I425-M427 VanDerWaalsContact C-N 3.27Å; I425-M427 PolarHBondContact O-N 2.86Å; I425-S428 PolarHBondContact O-N 3.33Å; I425-S428 VanDerWaalsContact O-N 3.07Å; I425-L429 HydrophobicContact CG2-CD1 3.84Å; I425-L429 HydrophobicContact CG2-CG 4.26Å; I425-L429 WeakPolarHBondContact O-CG 3.46Å; I425-L429 PolarHBondContact O-N 3.13Å; I425-L443 HydrophobicContact CB-CD1 3.96Å; I425-L443 HydrophobicContact CG2-CD1 3.63Å |
| 426 | N | 91.3 | Very high | 83.7 | Confident | 36 Ų | 36 | 79.5 Ų | 79.5 | 19% | 0.193 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -55 | -44.4 | 177.6 | -177.3 | 61.6 | 0 | 0 | 0 | 111.8 | V422 E423 L429 L430 L443 | V422-N426 WeakPolarHBondContact O-CB 3.47Å; V422-N426 PolarHBondContact O-N 2.95Å; E423-N426 PolarHBondContact O-N 3.16Å; N426-L429 PolarHBondContact O-N 2.99Å; N426-L430 VanDerWaalsContact O-CG 3.31Å; N426-L430 WeakPolarHBondContact O-CG 3.45Å; N426-L430 PolarHBondContact O-N 3.45Å; N426-L443 HydrophobicContact CB-CD1 4.24Å; N426-L443 HydrophobicContact CB-CD2 3.94Å; N426-L443 WeakPolarHBondContact OD1-CD2 3.22Å |
| 427 | M | 88.7 | Confident | 81.9 | Confident | 92 Ų | 92 | 81.2 Ų | 81.2 | 45% | 0.453 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.2 | -31.4 | 178 | -71.7 | -61.6 | -65.8 | 0 | 0 | 113.7 | E423 K424 I425 L430 K431 | E423-M427 WeakPolarHBondContact O-CB 3.32Å; E423-M427 VanDerWaalsContact O-CG 3.28Å; E423-M427 WeakPolarHBondContact O-CG 3.36Å; E423-M427 PolarHBondContact O-N 3.36Å; K424-M427 PolarHBondContact O-N 3.07Å; I425-M427 VanDerWaalsContact C-N 3.27Å; I425-M427 PolarHBondContact O-N 2.86Å; M427-L430 HydrophobicContact SD-CD1 4.31Å; M427-K431 WeakPolarHBondContact O-CG 3.28Å; M427-K431 PolarHBondContact O-N 3.21Å |
| 428 | S | 88 | Confident | 80.1 | Confident | 32 Ų | 32 | 85.6 Ų | 85.6 | 22% | 0.224 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -71.1 | -46 | 173.8 | -163.2 | 0 | 0 | 0 | 0 | 111 | E390 K424 I425 L430 K431 D432 | E390-S428 PolarHBondContact OE2-OG 2.97Å; K424-S428 PolarHBondContact O-N 3.1Å; I425-S428 PolarHBondContact O-N 3.33Å; I425-S428 VanDerWaalsContact O-N 3.07Å; S428-L430 VanDerWaalsContact C-N 3.26Å; S428-L430 PolarHBondContact O-N 3.45Å; S428-K431 WeakPolarHBondContact O-CB 3.31Å; S428-K431 PolarHBondContact O-N 3.32Å; S428-D432 PolarHBondContact O-N 2.98Å |
| 429 | L | 85.7 | Confident | 78.7 | Confident | 16 Ų | 16 | 87.2 Ų | 87.2 | 8% | 0.084 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.2 | -30 | 178.6 | -65.1 | 175.4 | 0 | 0 | 0 | 113.2 | C219 L383 I425 N426 K431 P441 | C219-L429 VanDerWaalsContact SG-CD1 3.59Å; L383-L429 HydrophobicContact CD1-CD2 3.62Å; I425-L429 HydrophobicContact CG2-CD1 3.84Å; I425-L429 HydrophobicContact CG2-CG 4.26Å; I425-L429 WeakPolarHBondContact O-CG 3.46Å; I425-L429 PolarHBondContact O-N 3.13Å; N426-L429 PolarHBondContact O-N 2.99Å; L429-K431 VanDerWaalsContact C-N 3.33Å; L429-P441 HydrophobicContact CB-CB 4.01Å; L429-P441 HydrophobicContact CB-CG 3.62Å; L429-P441 HydrophobicContact CD1-CB 4.02Å |
| 430 | L | 81.3 | Confident | 77.6 | Confident | 88 Ų | 88 | 87.7 Ų | 87.7 | 46% | 0.461 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71.8 | -24.3 | 172.3 | -76.4 | 169.9 | 0 | 0 | 0 | 113.6 | N426 M427 S428 P441 | N426-L430 VanDerWaalsContact O-CG 3.31Å; N426-L430 WeakPolarHBondContact O-CG 3.45Å; N426-L430 PolarHBondContact O-N 3.45Å; M427-L430 HydrophobicContact SD-CD1 4.31Å; S428-L430 VanDerWaalsContact C-N 3.26Å; S428-L430 PolarHBondContact O-N 3.45Å; L430-P441 VanDerWaalsContact CD2-CD 3.42Å; L430-P441 HydrophobicContact CD2-CG 4.05Å; L430-P441 HydrophobicContact CG-CG 3.93Å |
| 431 | K | 77.2 | Confident | 76.7 | Confident | 152 Ų | 152 | 86.4 Ų | 86.4 | 66% | 0.661 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -84.9 | -16 | 178.3 | -72.1 | 171.7 | -176.2 | 177.3 | 0 | 112.8 | M427 S428 L429 R433 | M427-K431 WeakPolarHBondContact O-CG 3.28Å; M427-K431 PolarHBondContact O-N 3.21Å; S428-K431 WeakPolarHBondContact O-CB 3.31Å; S428-K431 PolarHBondContact O-N 3.32Å; L429-K431 VanDerWaalsContact C-N 3.33Å; K431-R433 PolarHBondContact O-N 3.28Å |
| 432 | D | 70.1 | Confident | 76.2 | Confident | 69 Ų | 69 | 88.5 Ų | 88.5 | 37% | 0.369 | 44% | 0.441 | S | S | . | . | trans | -65 | 101.4 | 176.5 | -175.8 | 0.3 | 0 | 0 | 0 | 110.2 | S428 S434 K435 | S428-D432 PolarHBondContact O-N 2.98Å; D432-S434 PolarHBondContact O-N 2.9Å; D432-S434 VanDerWaalsContact O-N 3.13Å; D432-S434 VanDerWaalsContact OD1-CB 3.28Å; D432-S434 WeakPolarHBondContact OD1-CB 3.46Å; D432-S434 PolarHBondContact OD1-N 2.96Å; D432-S434 PolarHBondContact OD1-OG 3.47Å; D432-S434 PolarHBondContact OD2-OG 2.93Å; D432-K435 PolarHBondContact O-N 3.13Å | ||
| 433 | R | 55.5 | Low | 76.1 | Confident | 242 Ų | 242 | 88.6 Ų | 88.6 | 91% | 0.913 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -7.1 | -177.4 | -63.1 | -176.2 | 178.7 | -174 | -1.7 | 113.4 | K431 K435 | K431-R433 PolarHBondContact O-N 3.28Å; R433-K435 PolarHBondContact O-N 2.89Å |
| 434 | S | 63.4 | Low | 76 | Confident | 93 Ų | 93 | 83.6 Ų | 83.6 | 65% | 0.65 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -19.5 | 175.2 | 70.9 | 0 | 0 | 0 | 0 | 112.5 | D432 | D432-S434 PolarHBondContact O-N 2.9Å; D432-S434 VanDerWaalsContact O-N 3.13Å; D432-S434 VanDerWaalsContact OD1-CB 3.28Å; D432-S434 WeakPolarHBondContact OD1-CB 3.46Å; D432-S434 PolarHBondContact OD1-N 2.96Å; D432-S434 PolarHBondContact OD1-OG 3.47Å; D432-S434 PolarHBondContact OD2-OG 2.93Å |
| 435 | K | 58.9 | Low | 76 | Confident | 62 Ų | 62 | 80.5 Ų | 80.5 | 27% | 0.27 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -100.3 | 146.3 | -178.3 | -64.2 | -175.9 | -179.2 | -178 | 0 | 111.8 | D432 R433 E437 | D432-K435 PolarHBondContact O-N 3.13Å; R433-K435 PolarHBondContact O-N 2.89Å; K435-E437 PolarHBondContact O-N 3.35Å |
| 436 | P | 58.3 | Low | 75.8 | Confident | 86 Ų | 86 | 80.5 Ų | 80.5 | 56% | 0.558 | 41% | 0.406 | S | S | * | . | trans | -57.7 | 135.7 | 174.3 | -17.6 | 27.3 | 0 | 0 | 0 | 110.7 | T438 T439 | P436-T438 PolarHBondContact O-N 2.69Å; P436-T439 WeakPolarHBondContact O-CB 3.42Å; P436-T439 PolarHBondContact O-N 3.13Å; P436-T439 PolarHBondContact O-OG1 3.02Å; P436-T439 VanDerWaalsContact O-OG1 3.09Å | ||
| 437 | E | 53.2 | Low | 75.5 | Confident | 201 Ų | 201 | 81 Ų | 81 | 94% | 0.939 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -23.5 | -178.3 | -72 | -175.3 | 163.4 | 0 | 0 | 113.9 | K435 T439 | K435-E437 PolarHBondContact O-N 3.35Å; E437-T439 VanDerWaalsContact C-N 3.34Å |
| 438 | T | 54.3 | Low | 75.6 | Confident | 133 Ų | 133 | 77.4 Ų | 77.4 | 82% | 0.816 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -6.1 | -180 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | P436 K440 | P436-T438 PolarHBondContact O-N 2.69Å; T438-K440 PolarHBondContact O-N 3.3Å |
| 439 | T | 64.9 | Low | 75.9 | Confident | 43 Ų | 43 | 76.7 Ų | 76.7 | 26% | 0.264 | 39% | 0.394 | S | S | . | . | trans | -91 | 92.6 | -173.3 | -43.4 | 0 | 0 | 0 | 0 | 109.8 | M222 P436 E437 P441 | M222-T439 HydrophobicContact CE-CG2 3.58Å; M222-T439 HydrophobicContact CG-CG2 4.35Å; P436-T439 WeakPolarHBondContact O-CB 3.42Å; P436-T439 PolarHBondContact O-N 3.13Å; P436-T439 PolarHBondContact O-OG1 3.02Å; P436-T439 VanDerWaalsContact O-OG1 3.09Å; E437-T439 VanDerWaalsContact C-N 3.34Å; T439-P441 WeakPolarHBondContact O-CD 3.3Å | ||
| 440 | K | 71.6 | Confident | 76.3 | Confident | 165 Ų | 165 | 76.7 Ų | 76.7 | 72% | 0.717 | 40% | 0.396 | S | S | * | . | trans | -62.6 | 128.7 | 172.5 | -170.5 | -180 | 178.3 | -178 | 0 | 109.1 | T438 D442 | T438-K440 PolarHBondContact O-N 3.3Å; K440-D442 PolarHBondContact O-N 3.02Å | ||
| 441 | P | 76 | Confident | 77 | Confident | 19 Ų | 19 | 72.7 Ų | 72.7 | 12% | 0.123 | 38% | 0.376 | C | S | . | . | trans | -55 | 136 | 171.8 | -26.3 | 35.3 | 0 | 0 | 0 | 111.1 | L429 L430 T439 L443 | L429-P441 HydrophobicContact CB-CB 4.01Å; L429-P441 HydrophobicContact CB-CG 3.62Å; L429-P441 HydrophobicContact CD1-CB 4.02Å; L430-P441 VanDerWaalsContact CD2-CD 3.42Å; L430-P441 HydrophobicContact CD2-CG 4.05Å; L430-P441 HydrophobicContact CG-CG 3.93Å; T439-P441 WeakPolarHBondContact O-CD 3.3Å; P441-L443 HydrophobicContact CB-CD2 3.66Å | ||
| 442 | D | 85 | Confident | 77.9 | Confident | 48 Ų | 48 | 65.5 Ų | 65.5 | 26% | 0.257 | 35% | 0.345 | S | S | . | . | trans | -101.2 | 97.5 | 173.8 | 177.2 | 27.8 | 0 | 0 | 0 | 108.6 | N220 M222 K440 | N220-D442 HydrophobicContact CB-CB 3.75Å; N220-D442 WeakPolarHBondContact CB-O 3.29Å; N220-D442 PolarHBondContact N-O 3.33Å; N220-D442 PolarHBondContact ND2-OD2 3.39Å; M222-D442 HydrophobicContact SD-CB 3.9Å; K440-D442 PolarHBondContact O-N 3.02Å | ||
| 443 | L | 92.1 | Very high | 79.1 | Confident | 25 Ų | 25 | 64.9 Ų | 64.9 | 13% | 0.131 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 148.3 | 176.5 | 71.9 | 164.8 | 0 | 0 | 0 | 110.9 | V217 V218 C219 V422 I425 N426 P441 | V217-L443 HydrophobicContact CG2-CB 4.49Å; V218-L443 CarbonylContact O-C 3.56Å; V218-L443 WeakPolarHBondContact O-CA 3.48Å; V218-L443 VanDerWaalsContact O-CB 3.3Å; V218-L443 WeakPolarHBondContact O-CB 3.43Å; C219-L443 HydrophobicContact CB-CB 4.44Å; V422-L443 HydrophobicContact CG1-CD1 3.88Å; V422-L443 HydrophobicContact CG1-CG 4.2Å; I425-L443 HydrophobicContact CB-CD1 3.96Å; I425-L443 HydrophobicContact CG2-CD1 3.63Å; N426-L443 HydrophobicContact CB-CD1 4.24Å; N426-L443 HydrophobicContact CB-CD2 3.94Å; N426-L443 WeakPolarHBondContact OD1-CD2 3.22Å; P441-L443 HydrophobicContact CB-CD2 3.66Å |
| 444 | F | 93.1 | Very high | 80.9 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 12% | 0.123 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 149.1 | 179 | 57.4 | -88.6 | 0 | 0 | 0 | 112.1 | I53 L132 V217 V218 C446 | I53-F444 HydrophobicContact CD1-CZ 4.24Å; L132-F444 HydrophobicContact CD1-CE1 4.02Å; L132-F444 HydrophobicContact CD1-CZ 3.84Å; V217-F444 WeakPolarHBondContact CA-O 3.29Å; V218-F444 HydrophobicContact CB-CD1 4.31Å; V218-F444 HydrophobicContact CB-CD2 4.33Å; V218-F444 HydrophobicContact CB-CE1 3.84Å; V218-F444 HydrophobicContact CB-CE2 3.87Å; V218-F444 HydrophobicContact CB-CZ 3.61Å; V218-F444 HydrophobicContact CG1-CE1 3.8Å; V218-F444 HydrophobicContact CG1-CE2 4.48Å; V218-F444 HydrophobicContact CG1-CZ 3.73Å; V218-F444 HydrophobicContact CG2-CE2 3.8Å; V218-F444 HydrophobicContact CG2-CZ 3.82Å; V218-F444 PolarHBondContact N-O 3.46Å; V218-F444 PolarHBondContact O-N 3.02Å; F444-C446 HydrophobicContact CD2-CB 4.41Å; F444-C446 HydrophobicContact CE2-CB 4.24Å |
| 445 | L | 93.9 | Very high | 82.2 | Confident | 59 Ų | 59 | 56.4 Ų | 56.4 | 31% | 0.309 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 133.7 | 166.4 | -72.7 | 177.8 | 0 | 0 | 0 | 109.7 | I413 A418 E419 V422 | I413-L445 HydrophobicContact CD1-CD2 3.66Å; A418-L445 HydrophobicContact CB-CD1 4.24Å; A418-L445 HydrophobicContact CB-CD2 3.96Å; E419-L445 HydrophobicContact CG-CD1 3.81Å; V422-L445 HydrophobicContact CG2-CD2 3.41Å; V422-L445 VanDerWaalsContact CG2-CD2 3.41Å; V422-L445 HydrophobicContact CG2-CG 3.77Å |
| 446 | C | 90.2 | Very high | 83.7 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 114.2 | -178.8 | 179 | 0 | 0 | 0 | 0 | 109.6 | I51 I53 F216 V218 F444 | I51-C446 WeakPolarHBondContact CD1-SG 3.22Å; I53-C446 WeakPolarHBondContact CG2-SG 3.35Å; F216-C446 HydrophobicContact CB-CB 4.36Å; F216-C446 PolarHBondContact O-N 2.63Å; V218-C446 HydrophobicContact CG2-CB 3.92Å; F444-C446 HydrophobicContact CD2-CB 4.41Å; F444-C446 HydrophobicContact CE2-CB 4.24Å |
| 447 | A | 83.9 | Confident | 85 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 38% | 0.38 | 30% | 0.298 | S | S | . | . | trans | -105 | 145.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q54 S449 | Q54-A447 PolarHBondContact NE2-O 3.12Å; A447-S449 PolarHBondContact O-N 3.43Å; A447-S449 VanDerWaalsContact O-N 3.16Å | ||
| 448 | P | 91.8 | Very high | 86 | Confident | 17 Ų | 17 | 53.2 Ų | 53.2 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 121.8 | 178.2 | -20.2 | 29.8 | 0 | 0 | 0 | 112.1 | I51 F193 T194 I210 | I51-P448 HydrophobicContact CB-CB 4.18Å; I51-P448 HydrophobicContact CB-CG 4.41Å; I51-P448 HydrophobicContact CG2-CB 3.94Å; I51-P448 HydrophobicContact CG2-CG 3.85Å; F193-P448 PolarHBondContact N-O 3.24Å; T194-P448 WeakPolarHBondContact O-CB 3.46Å; I210-P448 HydrophobicContact CG1-CG 4.41Å |
| 449 | S | 93 | Very high | 85.7 | Confident | 17 Ų | 17 | 51.2 Ų | 51.2 | 12% | 0.119 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -101.5 | 167.1 | -175.3 | -164.2 | 0 | 0 | 0 | 0 | 112.1 | R23 A52 I53 A447 | R23-S449 PolarHBondContact NH2-OG 3.3Å; A52-S449 WeakPolarHBondContact O-CB 3.24Å; A52-S449 PolarHBondContact O-N 3.08Å; I53-S449 VanDerWaalsContact O-CB 3.25Å; I53-S449 WeakPolarHBondContact O-CB 3.37Å; I53-S449 PolarHBondContact O-OG 3.36Å; A447-S449 PolarHBondContact O-N 3.43Å; A447-S449 VanDerWaalsContact O-N 3.16Å |
| 450 | A | 94.9 | Very high | 84.4 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 12% | 0.124 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 151.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | R23 P25 K192 I453 | R23-A450 PolarHBondContact NH1-O 2.92Å; P25-A450 WeakPolarHBondContact CG-O 3.29Å; K192-A450 HydrophobicContact CD-CB 4.4Å; K192-A450 HydrophobicContact CG-CB 3.65Å; A450-I453 HydrophobicContact CB-CD1 4.49Å |
| 451 | G | 96.4 | Very high | 85 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | trans | -63.6 | -166.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | C187 A190 | C187-G451 CarbonylContact O-C 3.6Å; C187-G451 VanDerWaalsContact O-C 3.3Å; C187-G451 WeakPolarHBondContact O-CA 3.47Å; A190-G451 PolarHBondContact O-N 3.26Å | ||
| 452 | A | 96.3 | Very high | 85.5 | Confident | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 31% | 0.308 | C | S | . | . | trans | -67.1 | 141.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R23 L144 R161 C187 L188 | R23-A452 CarbonylContact O-C 3.53Å; R23-A452 WeakPolarHBondContact O-CA 3.27Å; R23-A452 WeakPolarHBondContact O-CB 3.4Å; L144-A452 HydrophobicContact CD1-CB 3.63Å; R161-A452 PolarHBondContact NH1-O 3.48Å; R161-A452 PolarHBondContact NH2-O 3.48Å; C187-A452 WeakPolarHBondContact O-CB 3.27Å; C187-A452 PolarHBondContact O-N 2.89Å; L188-A452 HydrophobicContact CD2-CB 3.78Å | ||
| 453 | I | 94.4 | Very high | 85.5 | Confident | 55 Ų | 55 | 54.3 Ų | 54.3 | 28% | 0.282 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.2 | -178.9 | -58 | 172.6 | 0 | 0 | 0 | 108.1 | V22 R23 A450 R455 | V22-I453 CarbonylContact C-O 3.54Å; V22-I453 WeakPolarHBondContact CA-O 3.32Å; R23-I453 PolarHBondContact N-O 3.48Å; R23-I453 PolarHBondContact O-N 3.24Å; A450-I453 HydrophobicContact CB-CD1 4.49Å; I453-R455 HydrophobicContact CG2-CG 3.85Å |
| 454 | V | 93 | Very high | 85.2 | Confident | 37 Ų | 37 | 56.1 Ų | 56.1 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 127.6 | 165.1 | 178.4 | 0 | 0 | 0 | 0 | 106.8 | Y20 L21 V22 L144 C148 | Y20-V454 HydrophobicContact CD1-CG1 3.96Å; L21-V454 CarbonylContact O-C 3.5Å; L21-V454 WeakPolarHBondContact O-CA 3.23Å; V22-V454 HydrophobicContact CG2-CG2 4.35Å; L144-V454 HydrophobicContact CB-CG2 4.29Å; L144-V454 HydrophobicContact CD1-CG2 4.26Å; L144-V454 HydrophobicContact CD2-CG2 4.06Å; L144-V454 HydrophobicContact CG-CG2 4.45Å; C148-V454 WeakPolarHBondContact SG-CG1 3.46Å |
| 455 | R | 91.9 | Very high | 84.7 | Confident | 120 Ų | 120 | 57.8 Ų | 57.8 | 45% | 0.453 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.9 | 174.2 | -63.9 | -176.9 | 178.9 | 159.9 | -1 | 109.4 | E3 Y20 L21 I453 | E3-R455 IonicContact OE1-NH1 2.99Å; E3-R455 PolarHBondContact OE1-NH1 3.25Å; E3-R455 IonicContact OE2-NH1 3.56Å; Y20-R455 CarbonylContact C-O 3.6Å; Y20-R455 WeakPolarHBondContact CA-O 3.28Å; L21-R455 PolarHBondContact N-O 3.26Å; L21-R455 PolarHBondContact O-N 3.22Å; I453-R455 HydrophobicContact CG2-CG 3.85Å |
| 456 | F | 89.4 | Confident | 84.1 | Confident | 107 Ų | 107 | 57.7 Ų | 57.7 | 47% | 0.469 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 126.3 | 166 | -169.7 | -122.2 | 0 | 0 | 0 | 108.7 | E19 Y20 K458 | E19-F456 HydrophobicContact CB-CE2 4.4Å; E19-F456 VanDerWaalsContact O-CD2 3.27Å; E19-F456 WeakPolarHBondContact O-CD2 3.42Å; Y20-F456 HydrophobicContact CD1-CD2 4.13Å; Y20-F456 AromaticContact CE1-CD2 3.76Å; Y20-F456 HydrophobicContact CE1-CD2 3.76Å; Y20-F456 HydrophobicContact CE1-CE2 4.46Å; F456-K458 WeakPolarHBondContact CD1-O 3.36Å; F456-K458 HydrophobicContact CE1-CB 4.12Å; F456-K458 WeakPolarHBondContact CE1-O 3.4Å; F456-K458 HydrophobicContact CE2-CB 4.19Å; F456-K458 HydrophobicContact CZ-CB 3.78Å |
| 457 | I | 85.6 | Confident | 83.6 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 35% | 0.354 | 36% | 0.359 | S | S | . | . | trans | -94.3 | -34.3 | -177.9 | -68.4 | 176.2 | 0 | 0 | 0 | 111.1 | V7 P18 E19 L21 A459 | V7-I457 HydrophobicContact CG2-CD1 4.17Å; P18-I457 HydrophobicContact CG-CD1 4.01Å; E19-I457 PolarHBondContact O-N 2.96Å; L21-I457 HydrophobicContact CB-CD1 3.59Å; L21-I457 HydrophobicContact CB-CG1 4.14Å; I457-A459 PolarHBondContact O-N 3Å | ||
| 458 | K | 74.2 | Confident | 83.6 | Confident | 107 Ų | 107 | 62.9 Ų | 62.9 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | trans | -73.2 | 114.8 | -173.7 | -160.6 | 171.7 | -177.5 | 178.9 | 0 | 110.1 | E19 F456 S460 | E19-K458 HydrophobicContact CG-CD 4.49Å; F456-K458 WeakPolarHBondContact CD1-O 3.36Å; F456-K458 HydrophobicContact CE1-CB 4.12Å; F456-K458 WeakPolarHBondContact CE1-O 3.4Å; F456-K458 HydrophobicContact CE2-CB 4.19Å; F456-K458 HydrophobicContact CZ-CB 3.78Å; K458-S460 PolarHBondContact O-N 2.87Å | ||
| 459 | A | 49 | Very low | 82.9 | Confident | 91 Ų | 91 | 66.8 Ų | 66.8 | 75% | 0.752 | 38% | 0.378 | S | S | * | . | trans | -69.4 | 125.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | I457 | I457-A459 PolarHBondContact O-N 3Š| ||
| 460 | S | 36.7 | Very low | 82 | Confident | 177 Ų | 177 | 71.3 Ų | 71.3 | 100% | 1.238 | 40% | 0.402 | S | S | * | . | trans | -42.5 | 0 | 174.6 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | K458 | K458-S460 PolarHBondContact O-N 2.87Š|
Retrieved 460 of 460 residues in 99.4 ms
(Link to these results)