| 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 | 36.1 | Very low | 48.4 | Very low | 186 Ų | 186 | 62.6 Ų | 62.6 | 92% | 0.916 | 32% | 0.32 | S | S | * | . | 0 | -51.6 | 0 | -147.5 | 178.2 | 168.6 | 0 | 0 | 111.1 | V4 Q5 | M1-V4 PolarHBondContact O-N 3.17Å; M1-Q5 PolarHBondContact O-N 3.37Å; M1-Q5 VanDerWaalsContact O-N 3.09Å | |||
| 2 | V | 37.5 | Very low | 49 | Very low | 75 Ų | 75 | 64.8 Ų | 64.8 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 171.1 | -178 | 0 | 0 | 0 | 0 | 111.7 | V4 Q5 I6 M82 | V2-V4 PolarHBondContact O-N 3.17Å; V2-Q5 WeakPolarHBondContact O-CB 3.45Å; V2-Q5 PolarHBondContact O-N 3.28Å; V2-I6 HydrophobicContact CG1-CD1 4.16Å; V2-I6 HydrophobicContact CG1-CG1 4.38Å; V2-I6 VanDerWaalsContact O-CG1 3.31Å; V2-I6 WeakPolarHBondContact O-CG1 3.41Å; V2-I6 PolarHBondContact O-N 3.47Å; V2-M82 HydrophobicContact CG1-CE 3.87Å |
| 3 | F | 42.5 | Very low | 49.2 | Very low | 73 Ų | 73 | 62.5 Ų | 62.5 | 32% | 0.32 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55.9 | -45.6 | 174.7 | -78.5 | -83.3 | 0 | 0 | 0 | 113.9 | Q5 I6 E7 Y90 | F3-Q5 VanDerWaalsContact C-N 3.28Å; F3-Q5 PolarHBondContact O-N 2.92Å; F3-I6 HydrophobicContact CD1-CD1 4.47Å; F3-I6 WeakPolarHBondContact O-CB 3.42Å; F3-I6 PolarHBondContact O-N 3.27Å; F3-E7 VanDerWaalsContact O-CB 3.32Å; F3-E7 WeakPolarHBondContact O-CB 3.38Å; F3-E7 PolarHBondContact O-N 3.18Å; F3-Y90 AromaticContact CD1-CD2 3.57Å; F3-Y90 HydrophobicContact CD1-CD2 3.57Å; F3-Y90 HydrophobicContact CD1-CE2 4.09Å; F3-Y90 HydrophobicContact CD1-CG 4.35Å; F3-Y90 AromaticContact CE1-CD2 3.51Å; F3-Y90 HydrophobicContact CE1-CD2 3.51Å; F3-Y90 HydrophobicContact CE1-CE2 4.44Å; F3-Y90 HydrophobicContact CE1-CG 4.05Å |
| 4 | V | 50.2 | Low | 49.3 | Very low | 53 Ų | 53 | 59 Ų | 59 | 32% | 0.321 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.5 | -38.2 | 176.1 | 179.2 | 0 | 0 | 0 | 0 | 111 | M1 V2 Q8 I43 | M1-V4 PolarHBondContact O-N 3.17Å; V2-V4 PolarHBondContact O-N 3.17Å; V4-Q8 VanDerWaalsContact O-CB 3.29Å; V4-Q8 WeakPolarHBondContact O-CB 3.49Å; V4-Q8 PolarHBondContact O-N 3.4Å; V4-I43 HydrophobicContact CG2-CG2 4.24Å |
| 5 | Q | 49.2 | Very low | 49.4 | Very low | 101 Ų | 101 | 60.1 Ų | 60.1 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.9 | -43 | 175.4 | -74.8 | 177.2 | -26.2 | 0 | 0 | 112 | M1 V2 F3 Q8 T9 | M1-Q5 PolarHBondContact O-N 3.37Å; M1-Q5 VanDerWaalsContact O-N 3.09Å; V2-Q5 WeakPolarHBondContact O-CB 3.45Å; V2-Q5 PolarHBondContact O-N 3.28Å; F3-Q5 VanDerWaalsContact C-N 3.28Å; F3-Q5 PolarHBondContact O-N 2.92Å; Q5-Q8 PolarHBondContact O-N 3.3Å; Q5-T9 WeakPolarHBondContact O-CB 3.24Å; Q5-T9 PolarHBondContact O-N 3.13Å; Q5-T9 PolarHBondContact O-OG1 3.22Å |
| 6 | I | 49.8 | Very low | 49.7 | Very low | 13 Ų | 13 | 65.4 Ų | 65.4 | 7% | 0.067 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.2 | -52.1 | 174.9 | -62.5 | 164 | 0 | 0 | 0 | 109.7 | V2 F3 Q8 T9 I10 M82 | V2-I6 HydrophobicContact CG1-CD1 4.16Å; V2-I6 HydrophobicContact CG1-CG1 4.38Å; V2-I6 VanDerWaalsContact O-CG1 3.31Å; V2-I6 WeakPolarHBondContact O-CG1 3.41Å; V2-I6 PolarHBondContact O-N 3.47Å; F3-I6 HydrophobicContact CD1-CD1 4.47Å; F3-I6 WeakPolarHBondContact O-CB 3.42Å; F3-I6 PolarHBondContact O-N 3.27Å; I6-Q8 VanDerWaalsContact C-N 3.35Å; I6-Q8 PolarHBondContact O-N 3.44Å; I6-T9 CarbonylContact O-C 3.53Å; I6-T9 WeakPolarHBondContact O-CA 3.06Å; I6-T9 WeakPolarHBondContact O-CB 3.44Å; I6-T9 PolarHBondContact O-N 2.91Å; I6-I10 HydrophobicContact CG2-CD1 3.52Å; I6-I10 HydrophobicContact CG2-CG1 4.05Å; I6-I10 WeakPolarHBondContact O-CB 3.45Å; I6-I10 VanDerWaalsContact O-CG1 3.27Å; I6-I10 WeakPolarHBondContact O-CG1 3.41Å; I6-I10 PolarHBondContact O-N 3.31Å; I6-M82 HydrophobicContact CD1-CE 3.13Å; I6-M82 HydrophobicContact CD1-SD 3.63Å; I6-M82 HydrophobicContact CG1-CE 3.71Å; I6-M82 HydrophobicContact CG1-SD 3.46Å; I6-M82 WeakPolarHBondContact CG1-SD 3.42Å |
| 7 | E | 51.1 | Low | 49.3 | Very low | 25 Ų | 25 | 67.5 Ų | 67.5 | 12% | 0.117 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | -178 | -159.1 | -169.7 | 161.7 | 0 | 0 | 110.7 | F3 T9 I10 I11 L44 | F3-E7 VanDerWaalsContact O-CB 3.32Å; F3-E7 WeakPolarHBondContact O-CB 3.38Å; F3-E7 PolarHBondContact O-N 3.18Å; E7-T9 VanDerWaalsContact C-N 3.28Å; E7-T9 PolarHBondContact O-N 3.43Å; E7-I10 PolarHBondContact O-N 3.08Å; E7-I11 HydrophobicContact CG-CD1 3.95Å; E7-I11 VanDerWaalsContact O-CB 3.3Å; E7-I11 WeakPolarHBondContact O-CB 3.3Å; E7-I11 WeakPolarHBondContact O-CD1 3.37Å; E7-I11 WeakPolarHBondContact O-CG1 3.43Å; E7-I11 PolarHBondContact O-N 2.7Å; E7-L44 VanDerWaalsContact CD-CD2 3.43Å; E7-L44 WeakPolarHBondContact OE1-CD2 3.44Å; E7-L44 WeakPolarHBondContact OE2-CD2 2.89Å; E7-L44 WeakPolarHBondContact OE2-CG 3.21Å |
| 8 | Q | 54.3 | Low | 49.3 | Very low | 95 Ų | 95 | 68.3 Ų | 68.3 | 44% | 0.444 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.3 | -37.3 | 173.8 | -147.8 | 89 | 32.1 | 0 | 0 | 112.1 | V4 Q5 I6 N12 | V4-Q8 VanDerWaalsContact O-CB 3.29Å; V4-Q8 WeakPolarHBondContact O-CB 3.49Å; V4-Q8 PolarHBondContact O-N 3.4Å; Q5-Q8 PolarHBondContact O-N 3.3Å; I6-Q8 VanDerWaalsContact C-N 3.35Å; I6-Q8 PolarHBondContact O-N 3.44Å; Q8-N12 WeakPolarHBondContact O-CB 3.23Å; Q8-N12 PolarHBondContact O-N 2.83Å; Q8-N12 PolarHBondContact O-ND2 3.14Å; Q8-N12 VanDerWaalsContact O-ND2 3.08Å |
| 9 | T | 54 | Low | 49.1 | Very low | 57 Ų | 57 | 72.2 Ų | 72.2 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.7 | -45.7 | 179.1 | -46.3 | 0 | 0 | 0 | 0 | 110.1 | Q5 I6 E7 N12 S13 | Q5-T9 WeakPolarHBondContact O-CB 3.24Å; Q5-T9 PolarHBondContact O-N 3.13Å; Q5-T9 PolarHBondContact O-OG1 3.22Å; I6-T9 CarbonylContact O-C 3.53Å; I6-T9 WeakPolarHBondContact O-CA 3.06Å; I6-T9 WeakPolarHBondContact O-CB 3.44Å; I6-T9 PolarHBondContact O-N 2.91Å; E7-T9 VanDerWaalsContact C-N 3.28Å; E7-T9 PolarHBondContact O-N 3.43Å; T9-N12 PolarHBondContact O-N 3.08Å; T9-S13 PolarHBondContact O-N 2.9Å; T9-S13 PolarHBondContact O-OG 3.46Å |
| 10 | I | 53.6 | Low | 48.9 | Very low | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.6 | -53.6 | 175.4 | -69.8 | 176.8 | 0 | 0 | 0 | 109.9 | I6 E7 N12 S13 L14 Y57 Y60 Y90 | I6-I10 HydrophobicContact CG2-CD1 3.52Å; I6-I10 HydrophobicContact CG2-CG1 4.05Å; I6-I10 WeakPolarHBondContact O-CB 3.45Å; I6-I10 VanDerWaalsContact O-CG1 3.27Å; I6-I10 WeakPolarHBondContact O-CG1 3.41Å; I6-I10 PolarHBondContact O-N 3.31Å; E7-I10 PolarHBondContact O-N 3.08Å; I10-N12 VanDerWaalsContact C-N 3.33Å; I10-N12 PolarHBondContact O-N 3.13Å; I10-S13 WeakPolarHBondContact CA-OG 3.36Å; I10-S13 PolarHBondContact O-N 3.08Å; I10-S13 VanDerWaalsContact O-N 3.13Å; I10-S13 PolarHBondContact O-OG 2.76Å; I10-L14 HydrophobicContact CG2-CD1 3.63Å; I10-L14 HydrophobicContact CG2-CG 4.26Å; I10-L14 WeakPolarHBondContact O-CB 3.23Å; I10-L14 WeakPolarHBondContact O-CG 3.36Å; I10-L14 PolarHBondContact O-N 2.86Å; I10-Y57 HydrophobicContact CD1-CD1 4.22Å; I10-Y57 HydrophobicContact CD1-CE1 4.14Å; I10-Y57 HydrophobicContact CG2-CD1 4.28Å; I10-Y57 HydrophobicContact CG2-CE1 3.92Å; I10-Y60 HydrophobicContact CD1-CD1 3.85Å; I10-Y60 HydrophobicContact CD1-CE1 3.79Å; I10-Y60 HydrophobicContact CG1-CD1 3.75Å; I10-Y60 HydrophobicContact CG1-CE1 3.38Å; I10-Y60 HydrophobicContact CG1-CE2 4.32Å; I10-Y60 HydrophobicContact CG1-CG 4.38Å; I10-Y60 HydrophobicContact CG2-CG 4.5Å; I10-Y90 HydrophobicContact CD1-CE1 4Å |
| 11 | I | 54.5 | Low | 48.6 | Very low | 11 Ų | 11 | 78.4 Ų | 78.4 | 6% | 0.056 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 178.6 | -68.8 | 166.2 | 0 | 0 | 0 | 110.4 | E7 S13 L14 N15 I47 I52 | E7-I11 HydrophobicContact CG-CD1 3.95Å; E7-I11 VanDerWaalsContact O-CB 3.3Å; E7-I11 WeakPolarHBondContact O-CB 3.3Å; E7-I11 WeakPolarHBondContact O-CD1 3.37Å; E7-I11 WeakPolarHBondContact O-CG1 3.43Å; E7-I11 PolarHBondContact O-N 2.7Å; I11-S13 PolarHBondContact O-N 3.12Å; I11-L14 PolarHBondContact O-N 2.57Å; I11-N15 VanDerWaalsContact O-CB 3.29Å; I11-N15 WeakPolarHBondContact O-CB 3.45Å; I11-N15 PolarHBondContact O-N 2.86Å; I11-N15 PolarHBondContact O-ND2 2.82Å; I11-I47 HydrophobicContact CD1-CD1 3.67Å; I11-I47 HydrophobicContact CD1-CG2 4.36Å; I11-I52 HydrophobicContact CG1-CD1 4.01Å |
| 12 | N | 55.2 | Low | 48.9 | Very low | 88 Ų | 88 | 76.6 Ų | 76.6 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 177.8 | -73.2 | -21 | 0 | 0 | 0 | 112.8 | Q8 T9 I10 K16 | Q8-N12 WeakPolarHBondContact O-CB 3.23Å; Q8-N12 PolarHBondContact O-N 2.83Å; Q8-N12 PolarHBondContact O-ND2 3.14Å; Q8-N12 VanDerWaalsContact O-ND2 3.08Å; T9-N12 PolarHBondContact O-N 3.08Å; I10-N12 VanDerWaalsContact C-N 3.33Å; I10-N12 PolarHBondContact O-N 3.13Å; N12-K16 WeakPolarHBondContact O-CG 3.42Å; N12-K16 PolarHBondContact O-N 3Å |
| 13 | S | 51.7 | Low | 49.1 | Very low | 36 Ų | 36 | 81.8 Ų | 81.8 | 25% | 0.252 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -74.3 | -36.7 | 175.3 | 38.2 | 0 | 0 | 0 | 0 | 113.1 | T9 I10 I11 K16 L17 | T9-S13 PolarHBondContact O-N 2.9Å; T9-S13 PolarHBondContact O-OG 3.46Å; I10-S13 WeakPolarHBondContact CA-OG 3.36Å; I10-S13 PolarHBondContact O-N 3.08Å; I10-S13 VanDerWaalsContact O-N 3.13Å; I10-S13 PolarHBondContact O-OG 2.76Å; I11-S13 PolarHBondContact O-N 3.12Å; S13-K16 PolarHBondContact O-N 3.33Å; S13-L17 PolarHBondContact O-N 3.15Å |
| 14 | L | 50.2 | Low | 49 | Very low | 13 Ų | 13 | 86.9 Ų | 86.9 | 7% | 0.068 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.5 | -45.8 | 174.9 | -74.7 | 171.3 | 0 | 0 | 0 | 110.6 | I10 I11 K16 L17 Y18 I52 D56 | I10-L14 HydrophobicContact CG2-CD1 3.63Å; I10-L14 HydrophobicContact CG2-CG 4.26Å; I10-L14 WeakPolarHBondContact O-CB 3.23Å; I10-L14 WeakPolarHBondContact O-CG 3.36Å; I10-L14 PolarHBondContact O-N 2.86Å; I11-L14 PolarHBondContact O-N 2.57Å; L14-K16 VanDerWaalsContact C-N 3.27Å; L14-K16 PolarHBondContact O-N 3.04Å; L14-L17 WeakPolarHBondContact O-CA 3.45Å; L14-L17 WeakPolarHBondContact O-CB 3.29Å; L14-L17 PolarHBondContact O-N 2.94Å; L14-Y18 HydrophobicContact CB-CD2 4.4Å; L14-Y18 HydrophobicContact CB-CE2 4.46Å; L14-Y18 VanDerWaalsContact O-CD2 3.23Å; L14-Y18 WeakPolarHBondContact O-CD2 3.43Å; L14-Y18 PolarHBondContact O-N 2.88Å; L14-I52 HydrophobicContact CD1-CD1 3.82Å; L14-I52 HydrophobicContact CD1-CG1 4.13Å; L14-I52 HydrophobicContact CD1-CG2 3.9Å; L14-D56 HydrophobicContact CD1-CB 4.26Å; L14-D56 HydrophobicContact CD2-CB 4.32Å |
| 15 | N | 51.7 | Low | 48.3 | Very low | 75 Ų | 75 | 92 Ų | 92 | 40% | 0.401 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57.9 | -39.3 | 175.9 | -71.8 | -13.3 | 0 | 0 | 0 | 111.9 | I11 L17 Y18 E19 | I11-N15 VanDerWaalsContact O-CB 3.29Å; I11-N15 WeakPolarHBondContact O-CB 3.45Å; I11-N15 PolarHBondContact O-N 2.86Å; I11-N15 PolarHBondContact O-ND2 2.82Å; N15-L17 VanDerWaalsContact C-N 3.31Å; N15-L17 PolarHBondContact O-N 3.08Å; N15-Y18 PolarHBondContact O-N 3.37Å; N15-E19 WeakPolarHBondContact O-CB 3.31Å; N15-E19 WeakPolarHBondContact O-CG 3.24Å; N15-E19 PolarHBondContact O-N 2.95Å |
| 16 | K | 52.9 | Low | 47.5 | Very low | 146 Ų | 146 | 96.2 Ų | 96.2 | 64% | 0.635 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65 | -30.7 | 173.9 | -81.1 | -179.4 | 178.1 | -178.8 | 0 | 113.9 | N12 S13 L14 Q20 | N12-K16 WeakPolarHBondContact O-CG 3.42Å; N12-K16 PolarHBondContact O-N 3Å; S13-K16 PolarHBondContact O-N 3.33Å; L14-K16 VanDerWaalsContact C-N 3.27Å; L14-K16 PolarHBondContact O-N 3.04Å; K16-Q20 WeakPolarHBondContact O-CG 3.27Å |
| 17 | L | 44.1 | Very low | 46.8 | Very low | 100 Ų | 100 | 101 Ų | 101 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -77.4 | -38.6 | 175.6 | -83.3 | 161.1 | 0 | 0 | 0 | 111.5 | S13 L14 N15 Q20 | S13-L17 PolarHBondContact O-N 3.15Å; L14-L17 WeakPolarHBondContact O-CA 3.45Å; L14-L17 WeakPolarHBondContact O-CB 3.29Å; L14-L17 PolarHBondContact O-N 2.94Å; N15-L17 VanDerWaalsContact C-N 3.31Å; N15-L17 PolarHBondContact O-N 3.08Å; L17-Q20 PolarHBondContact O-N 3.21Å |
| 18 | Y | 48.5 | Very low | 46 | Very low | 82 Ų | 82 | 109.5 Ų | 109.5 | 32% | 0.322 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 176.5 | -80 | -72 | 0 | 0 | 0 | 112.2 | L14 N15 Q20 N21 E22 | L14-Y18 HydrophobicContact CB-CD2 4.4Å; L14-Y18 HydrophobicContact CB-CE2 4.46Å; L14-Y18 VanDerWaalsContact O-CD2 3.23Å; L14-Y18 WeakPolarHBondContact O-CD2 3.43Å; L14-Y18 PolarHBondContact O-N 2.88Å; N15-Y18 PolarHBondContact O-N 3.37Å; Y18-Q20 PolarHBondContact O-N 3.42Å; Y18-N21 PolarHBondContact O-N 2.91Å; Y18-E22 PolarHBondContact O-N 3.43Å; Y18-E22 VanDerWaalsContact O-N 3.15Å |
| 19 | E | 45.5 | Very low | 45 | Very low | 143 Ų | 143 | 110.4 Ų | 110.4 | 67% | 0.668 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.5 | -25.2 | 174 | -78.6 | 178.6 | 171 | 0 | 0 | 113.2 | N15 | N15-E19 WeakPolarHBondContact O-CB 3.31Å; N15-E19 WeakPolarHBondContact O-CG 3.24Å; N15-E19 PolarHBondContact O-N 2.95Å |
| 20 | Q | 45.3 | Very low | 44 | Very low | 148 Ų | 148 | 115.9 Ų | 115.9 | 69% | 0.692 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -81.8 | -17.5 | 176.5 | -74.1 | -177.3 | -6 | 0 | 0 | 113.9 | K16 L17 Y18 | K16-Q20 WeakPolarHBondContact O-CG 3.27Å; L17-Q20 PolarHBondContact O-N 3.21Å; Y18-Q20 PolarHBondContact O-N 3.42Å |
| 21 | N | 43.5 | Very low | 42.9 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 68% | 0.679 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -104.7 | -23.2 | -176.5 | -77.8 | -30.6 | 0 | 0 | 0 | 113.8 | Y18 E23 | Y18-N21 PolarHBondContact O-N 2.91Å; N21-E23 VanDerWaalsContact C-N 3.28Å; N21-E23 PolarHBondContact O-N 3.31Å |
| 22 | E | 42.3 | Very low | 41.7 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 69% | 0.692 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -72.5 | -10.9 | 179.7 | -78.3 | -161.8 | 139.4 | 0 | 0 | 115.2 | Y18 K24 | Y18-E22 PolarHBondContact O-N 3.43Å; Y18-E22 VanDerWaalsContact O-N 3.15Å; E22-K24 PolarHBondContact O-N 3.05Å |
| 23 | E | 40.8 | Very low | 40.3 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 86% | 0.86 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -67.7 | -0.1 | 174.5 | -76.3 | -167.6 | 157.2 | 0 | 0 | 114.1 | N21 | N21-E23 VanDerWaalsContact C-N 3.28Å; N21-E23 PolarHBondContact O-N 3.31Å |
| 24 | K | 40.2 | Very low | 39.1 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 78% | 0.778 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -115.9 | -9.7 | -172.1 | -81.1 | -175.2 | 179.6 | 173.3 | 0 | 119.4 | E22 | E22-K24 PolarHBondContact O-N 3.05Š|
| 25 | N | 35 | Very low | 37.9 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 86% | 0.861 | 70% | 0.701 | S | S | * | * | trans | -155.3 | 113.9 | 175.4 | -80.7 | -46.6 | 0 | 0 | 0 | 114.2 | ||||
| 26 | Q | 32.9 | Very low | 36.7 | Very low | 189 Ų | 189 | 147.6 Ų | 147.6 | 88% | 0.883 | 72% | 0.72 | S | S | * | * | trans | -100 | 148.5 | 175.6 | -73.6 | 178.6 | -14 | 0 | 0 | 112.7 | ||||
| 27 | S | 35.1 | Very low | 35.4 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | 108.7 | 127.7 | 163.6 | 76 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 28 | K | 33.9 | Very low | 34.6 | Very low | 202 Ų | 202 | 147.5 Ų | 147.5 | 88% | 0.878 | 73% | 0.734 | S | S | * | * | cis | -165.3 | 157.8 | 2.7 | -118 | 176.1 | -179.7 | 176.2 | 0 | 109.6 | ||||
| 29 | P | 33.2 | Very low | 33.6 | Very low | 115 Ų | 115 | 149.8 Ų | 149.8 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | trans | -112.1 | 170.1 | -165.4 | 40.9 | -31.2 | 0 | 0 | 0 | 115.9 | ||||
| 30 | Q | 33.1 | Very low | 32.8 | Very low | 172 Ų | 172 | 152.1 Ų | 152.1 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -177 | 112.8 | 151.5 | -104 | 166.2 | 3.5 | 0 | 0 | 112.2 | ||||
| 31 | Q | 31.2 | Very low | 32 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | 75.8 | 135.5 | 96.5 | -77 | -171.1 | -11 | 0 | 0 | 114.7 | |||||
| 32 | I | 28.5 | Very low | 31.2 | Very low | 124 Ų | 124 | 155.7 Ų | 155.7 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | cis | 176.9 | 152.7 | 18 | -117.4 | 169.6 | 0 | 0 | 0 | 112.5 | ||||
| 33 | L | 26.6 | Very low | 30.4 | Very low | 131 Ų | 131 | 154.6 Ų | 154.6 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | trans | 64.1 | 146.7 | 153.9 | -80.3 | 108 | 0 | 0 | 0 | 122.6 | ||||
| 34 | H | 27.6 | Very low | 29.8 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 68% | 0.681 | 76% | 0.758 | S | S | * | * | cis | -173.9 | 136 | -5.1 | -123.8 | -134.5 | 0 | 0 | 0 | 112.5 | ||||
| 35 | L | 25 | Very low | 29.3 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | trans | 27.3 | 140.5 | 136.7 | -70.5 | 152.5 | 0 | 0 | 0 | 122.5 | ||||
| 36 | K | 25.5 | Very low | 29.1 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | -176.6 | 139.1 | 59.3 | -132.2 | 176.4 | -171.4 | -178.6 | 0 | 115.9 | |||||
| 37 | C | 25.5 | Very low | 29.1 | Very low | 102 Ų | 102 | 141 Ų | 141 | 69% | 0.689 | 73% | 0.732 | S | S | * | * | trans | 50.4 | 124.1 | 139.2 | -71.6 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 38 | D | 27.5 | Very low | 29 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | -178.9 | 139.7 | 90.1 | -102.5 | -13.5 | 0 | 0 | 0 | 117.3 | |||||
| 39 | N | 27.2 | Very low | 29 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | trans | 78.8 | 112.6 | 149 | -69.7 | -38.4 | 0 | 0 | 0 | 125.3 | ||||
| 40 | K | 28.2 | Very low | 29 | Very low | 193 Ų | 193 | 143 Ų | 143 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | trans | 90.4 | 104.1 | 139.4 | -70.3 | 177.8 | 179 | 176.7 | 0 | 120.5 | ||||
| 41 | S | 30.3 | Very low | 29.7 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | trans | 105.2 | 51 | 155.7 | 72.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 42 | R | 25.2 | Very low | 30.7 | Very low | 236 Ų | 236 | 135.9 Ų | 135.9 | 89% | 0.891 | 70% | 0.698 | S | S | * | * | 41.6 | 90.6 | 95.4 | -75.7 | -177.9 | 178 | 166.3 | -0.3 | 112.2 | |||||
| 43 | I | 25.7 | Very low | 32.3 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 64% | 0.641 | 69% | 0.689 | S | S | * | * | S | Bend | -154.9 | -7.6 | 91.9 | -88 | 156.1 | 0 | 0 | 0 | 114.6 | V4 | V4-I43 HydrophobicContact CG2-CG2 4.24Š| |
| 44 | L | 28 | Very low | 34.3 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 56% | 0.56 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -96.5 | 4.9 | -169 | -102.9 | 115.5 | 0 | 0 | 0 | 117.3 | E7 T46 | E7-L44 VanDerWaalsContact CD-CD2 3.43Å; E7-L44 WeakPolarHBondContact OE1-CD2 3.44Å; E7-L44 WeakPolarHBondContact OE2-CD2 2.89Å; E7-L44 WeakPolarHBondContact OE2-CG 3.21Å; L44-T46 PolarHBondContact O-N 3.25Å |
| 45 | S | 30.8 | Very low | 36.5 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 26.8 | -172.6 | 70.1 | 0 | 0 | 0 | 0 | 115 | ||
| 46 | T | 29.4 | Very low | 38.6 | Very low | 127 Ų | 127 | 120.6 Ų | 120.6 | 78% | 0.779 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | 6.3 | -178.6 | 29.6 | 0 | 0 | 0 | 0 | 115 | L44 | L44-T46 PolarHBondContact O-N 3.25Š|
| 47 | I | 32.8 | Very low | 40.9 | Very low | 86 Ų | 86 | 112.9 Ų | 112.9 | 44% | 0.441 | 59% | 0.593 | S | S | . | * | trans | -133.4 | 50.3 | 175.4 | -44.4 | 176.9 | 0 | 0 | 0 | 110.1 | I11 | I11-I47 HydrophobicContact CD1-CD1 3.67Å; I11-I47 HydrophobicContact CD1-CG2 4.36Å | ||
| 48 | H | 33.8 | Very low | 43.5 | Very low | 174 Ų | 174 | 108 Ų | 108 | 81% | 0.806 | 56% | 0.56 | S | S | * | * | trans | -111.6 | 69.1 | 159 | -92.3 | -40.6 | 0 | 0 | 0 | 107.9 | ||||
| 49 | N | 33.4 | Very low | 45.9 | Very low | 148 Ų | 148 | 104.2 Ų | 104.2 | 79% | 0.791 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -86.8 | 139.5 | 134.4 | -84 | -11.1 | 0 | 0 | 0 | 105.5 | ||
| 50 | D | 35 | Very low | 48.2 | Very low | 151 Ų | 151 | 100.2 Ų | 100.2 | 81% | 0.807 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -43.9 | 142 | -175.3 | -55.5 | -57.2 | 0 | 0 | 0 | 113.7 | ||
| 51 | E | 47.6 | Very low | 50.5 | Low | 135 Ų | 135 | 91 Ų | 91 | 63% | 0.631 | 47% | 0.472 | S | S | * | . | trans | 127.4 | -10.7 | 150 | -65.3 | -177 | 176 | 0 | 0 | 120.3 | T53 | E51-T53 PolarHBondContact O-N 3.45Š| ||
| 52 | I | 50.9 | Low | 53 | Low | 52 Ų | 52 | 86 Ų | 86 | 27% | 0.267 | 44% | 0.436 | S | S | . | . | trans | -86.1 | 109.8 | 170.6 | -56.5 | 175.1 | 0 | 0 | 0 | 109.9 | I11 L14 D56 Y57 | I11-I52 HydrophobicContact CG1-CD1 4.01Å; L14-I52 HydrophobicContact CD1-CD1 3.82Å; L14-I52 HydrophobicContact CD1-CG1 4.13Å; L14-I52 HydrophobicContact CD1-CG2 3.9Å; I52-D56 HydrophobicContact CG2-CB 3.96Å; I52-Y57 HydrophobicContact CG2-CD2 4.2Å; I52-Y57 HydrophobicContact CG2-CE2 3.76Å | ||
| 53 | T | 62.5 | Low | 55.5 | Low | 70 Ų | 70 | 79 Ų | 79 | 43% | 0.429 | 42% | 0.416 | S | S | . | . | trans | -96.7 | 159.8 | -177.6 | 59.2 | 0 | 0 | 0 | 0 | 111.1 | E51 L55 D56 Y57 | E51-T53 PolarHBondContact O-N 3.45Å; T53-L55 PolarHBondContact O-N 2.9Å; T53-L55 VanDerWaalsContact OG1-CB 3.29Å; T53-L55 WeakPolarHBondContact OG1-CB 3.15Å; T53-D56 PolarHBondContact N-OD2 3.02Å; T53-D56 WeakPolarHBondContact O-CB 3.44Å; T53-D56 PolarHBondContact O-N 3.35Å; T53-D56 PolarHBondContact OG1-OD2 3.38Å; T53-Y57 PolarHBondContact O-N 3.3Å | ||
| 54 | N | 68.9 | Low | 57.8 | Low | 64 Ų | 64 | 74 Ų | 74 | 34% | 0.342 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -52 | -24.1 | 171.8 | -67.4 | 5.5 | 0 | 0 | 0 | 112.5 | F58 V99 | N54-F58 WeakPolarHBondContact O-CB 3.5Å; N54-F58 PolarHBondContact O-N 3.44Å; N54-V99 HydrophobicContact CB-CG1 3.55Å; N54-V99 WeakPolarHBondContact O-CG1 3.48Å |
| 55 | L | 72.5 | Confident | 60.1 | Low | 61 Ų | 61 | 69.8 Ų | 69.8 | 32% | 0.319 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 174.3 | -169 | 69.7 | 0 | 0 | 0 | 112.2 | T53 F58 F59 V99 P106 | T53-L55 PolarHBondContact O-N 2.9Å; T53-L55 VanDerWaalsContact OG1-CB 3.29Å; T53-L55 WeakPolarHBondContact OG1-CB 3.15Å; L55-F58 PolarHBondContact O-N 2.9Å; L55-F59 HydrophobicContact CD1-CD2 4.15Å; L55-F59 HydrophobicContact CD1-CE2 3.62Å; L55-F59 HydrophobicContact CD2-CE2 4.4Å; L55-F59 HydrophobicContact CG-CD2 3.94Å; L55-F59 HydrophobicContact CG-CE2 3.76Å; L55-F59 VanDerWaalsContact O-CD2 3.25Å; L55-F59 WeakPolarHBondContact O-CD2 3.46Å; L55-F59 PolarHBondContact O-N 2.8Å; L55-V99 HydrophobicContact CB-CG1 4.46Å; L55-V99 HydrophobicContact CD1-CB 4.38Å; L55-P106 HydrophobicContact CD1-CB 3.65Å; L55-P106 HydrophobicContact CD1-CG 4.26Å |
| 56 | D | 70.4 | Confident | 62 | Low | 25 Ų | 25 | 67.9 Ų | 67.9 | 13% | 0.134 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.8 | -42.8 | -179 | -61.2 | -53.1 | 0 | 0 | 0 | 110.6 | L14 I52 T53 F59 Y60 | L14-D56 HydrophobicContact CD1-CB 4.26Å; L14-D56 HydrophobicContact CD2-CB 4.32Å; I52-D56 HydrophobicContact CG2-CB 3.96Å; T53-D56 PolarHBondContact N-OD2 3.02Å; T53-D56 WeakPolarHBondContact O-CB 3.44Å; T53-D56 PolarHBondContact O-N 3.35Å; T53-D56 PolarHBondContact OG1-OD2 3.38Å; D56-F59 PolarHBondContact O-N 2.85Å; D56-Y60 WeakPolarHBondContact O-CB 3.31Å; D56-Y60 PolarHBondContact O-N 2.84Å |
| 57 | Y | 72.4 | Confident | 63.9 | Low | 22 Ų | 22 | 67.9 Ų | 67.9 | 9% | 0.086 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 173.6 | -74 | -64.9 | 0 | 0 | 0 | 112.1 | I10 I52 T53 Y60 L61 Y90 | I10-Y57 HydrophobicContact CD1-CD1 4.22Å; I10-Y57 HydrophobicContact CD1-CE1 4.14Å; I10-Y57 HydrophobicContact CG2-CD1 4.28Å; I10-Y57 HydrophobicContact CG2-CE1 3.92Å; I52-Y57 HydrophobicContact CG2-CD2 4.2Å; I52-Y57 HydrophobicContact CG2-CE2 3.76Å; T53-Y57 PolarHBondContact O-N 3.3Å; Y57-Y60 PolarHBondContact O-N 3.38Å; Y57-L61 WeakPolarHBondContact O-CB 3.29Å; Y57-L61 VanDerWaalsContact O-CG 3.28Å; Y57-L61 WeakPolarHBondContact O-CG 3.19Å; Y57-L61 PolarHBondContact O-N 3.37Å; Y57-Y90 AromaticContact CD1-CE1 3.89Å; Y57-Y90 HydrophobicContact CD1-CE1 3.89Å; Y57-Y90 AromaticContact CE1-CE1 4Å; Y57-Y90 HydrophobicContact CE1-CE1 4Å; Y57-Y90 AromaticContact CE1-CZ 4Å; Y57-Y90 WeakPolarHBondContact CE1-OH 3.3Å |
| 58 | F | 80.8 | Confident | 65.4 | Low | 1 Ų | 1 | 64.8 Ų | 64.8 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.1 | -53.1 | 176.9 | 171.8 | -93.2 | 0 | 0 | 0 | 111.6 | N54 L55 Y60 W62 F91 C96 V99 W100 L116 | N54-F58 WeakPolarHBondContact O-CB 3.5Å; N54-F58 PolarHBondContact O-N 3.44Å; L55-F58 PolarHBondContact O-N 2.9Å; F58-Y60 PolarHBondContact O-N 2.8Å; F58-W62 AromaticContact CE1-CE3 3.84Å; F58-W62 HydrophobicContact CE1-CE3 3.84Å; F58-W62 HydrophobicContact CE1-CZ3 4.32Å; F58-W62 HydrophobicContact CZ-CE3 4.3Å; F58-W62 WeakPolarHBondContact O-CB 3.47Å; F58-W62 PolarHBondContact O-N 3.1Å; F58-F91 AromaticContact CD2-CE2 3.73Å; F58-F91 HydrophobicContact CD2-CE2 3.73Å; F58-F91 HydrophobicContact CD2-CZ 4.02Å; F58-F91 HydrophobicContact CE2-CE2 4.29Å; F58-F91 HydrophobicContact CE2-CZ 4.27Å; F58-C96 HydrophobicContact CB-CB 4.3Å; F58-V99 HydrophobicContact CB-CG2 4.35Å; F58-V99 HydrophobicContact CD2-CG2 4.27Å; F58-V99 HydrophobicContact CG-CG2 4.13Å; F58-W100 HydrophobicContact CE2-CZ2 4.22Å; F58-W100 HydrophobicContact CZ-CZ2 4.2Å; F58-W100 AromaticContact CZ-NE1 3.97Å; F58-L116 HydrophobicContact CE2-CD1 4.26Å; F58-L116 HydrophobicContact CZ-CD1 3.62Å |
| 59 | F | 78.7 | Confident | 66.7 | Low | 61 Ų | 61 | 60.8 Ų | 60.8 | 27% | 0.268 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 180 | -79.2 | -66.1 | 0 | 0 | 0 | 112.2 | L55 D56 W62 N63 P106 | L55-F59 HydrophobicContact CD1-CD2 4.15Å; L55-F59 HydrophobicContact CD1-CE2 3.62Å; L55-F59 HydrophobicContact CD2-CE2 4.4Å; L55-F59 HydrophobicContact CG-CD2 3.94Å; L55-F59 HydrophobicContact CG-CE2 3.76Å; L55-F59 VanDerWaalsContact O-CD2 3.25Å; L55-F59 WeakPolarHBondContact O-CD2 3.46Å; L55-F59 PolarHBondContact O-N 2.8Å; D56-F59 PolarHBondContact O-N 2.85Å; F59-W62 AromaticContact CD1-CE3 3.86Å; F59-W62 HydrophobicContact CD1-CE3 3.86Å; F59-W62 HydrophobicContact CD1-CZ3 4.03Å; F59-W62 HydrophobicContact CE1-CE3 4.13Å; F59-W62 AromaticContact CE1-CZ3 3.84Å; F59-W62 HydrophobicContact CE1-CZ3 3.84Å; F59-N63 VanDerWaalsContact O-CB 3.23Å; F59-N63 WeakPolarHBondContact O-CB 3.36Å; F59-N63 PolarHBondContact O-N 2.81Å; F59-N63 PolarHBondContact O-ND2 2.88Å; F59-N63 VanDerWaalsContact O-ND2 3.08Å; F59-P106 HydrophobicContact CE2-CB 4.14Å; F59-P106 HydrophobicContact CZ-CB 3.89Å |
| 60 | Y | 74.3 | Confident | 67.9 | Low | 45 Ų | 45 | 57.4 Ų | 57.4 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.1 | -51.8 | 178 | -179.2 | -88.5 | 0 | 0 | 0 | 111.3 | I10 D56 Y57 F58 N63 L64 | I10-Y60 HydrophobicContact CD1-CD1 3.85Å; I10-Y60 HydrophobicContact CD1-CE1 3.79Å; I10-Y60 HydrophobicContact CG1-CD1 3.75Å; I10-Y60 HydrophobicContact CG1-CE1 3.38Å; I10-Y60 HydrophobicContact CG1-CE2 4.32Å; I10-Y60 HydrophobicContact CG1-CG 4.38Å; I10-Y60 HydrophobicContact CG2-CG 4.5Å; D56-Y60 WeakPolarHBondContact O-CB 3.31Å; D56-Y60 PolarHBondContact O-N 2.84Å; Y57-Y60 PolarHBondContact O-N 3.38Å; F58-Y60 PolarHBondContact O-N 2.8Å; Y60-N63 PolarHBondContact O-N 3.31Å; Y60-L64 HydrophobicContact CE1-CD1 3.7Å; Y60-L64 WeakPolarHBondContact O-CB 3.49Å; Y60-L64 PolarHBondContact O-N 3.43Å |
| 61 | L | 77.7 | Confident | 69.2 | Low | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -46 | 179.9 | -70.1 | 169.3 | 0 | 0 | 0 | 110.7 | Y57 N63 L64 F65 L87 Y90 F91 | Y57-L61 WeakPolarHBondContact O-CB 3.29Å; Y57-L61 VanDerWaalsContact O-CG 3.28Å; Y57-L61 WeakPolarHBondContact O-CG 3.19Å; Y57-L61 PolarHBondContact O-N 3.37Å; L61-N63 VanDerWaalsContact C-N 3.34Å; L61-N63 PolarHBondContact O-N 2.76Å; L61-L64 VanDerWaalsContact O-CB 3.24Å; L61-L64 WeakPolarHBondContact O-CB 3.32Å; L61-L64 PolarHBondContact O-N 3.46Å; L61-L64 VanDerWaalsContact O-N 3.1Å; L61-F65 VanDerWaalsContact O-CD2 3.31Å; L61-F65 WeakPolarHBondContact O-CD2 3.46Å; L61-F65 PolarHBondContact O-N 2.92Å; L61-L87 HydrophobicContact CD2-CB 4.46Å; L61-L87 HydrophobicContact CD2-CD2 3.81Å; L61-Y90 HydrophobicContact CD1-CD1 4.04Å; L61-Y90 HydrophobicContact CD2-CD1 4.32Å; L61-F91 HydrophobicContact CB-CD2 4.29Å; L61-F91 HydrophobicContact CD1-CB 3.89Å; L61-F91 HydrophobicContact CD1-CD2 3.81Å; L61-F91 HydrophobicContact CD1-CG 4.35Å |
| 62 | W | 82 | Confident | 70.2 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 3% | 0.027 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 177.1 | 177.9 | 28.1 | 0 | 0 | 0 | 112.2 | F58 F59 L64 F65 N66 I108 N112 S115 L116 F119 | F58-W62 AromaticContact CE1-CE3 3.84Å; F58-W62 HydrophobicContact CE1-CE3 3.84Å; F58-W62 HydrophobicContact CE1-CZ3 4.32Å; F58-W62 HydrophobicContact CZ-CE3 4.3Å; F58-W62 WeakPolarHBondContact O-CB 3.47Å; F58-W62 PolarHBondContact O-N 3.1Å; F59-W62 AromaticContact CD1-CE3 3.86Å; F59-W62 HydrophobicContact CD1-CE3 3.86Å; F59-W62 HydrophobicContact CD1-CZ3 4.03Å; F59-W62 HydrophobicContact CE1-CE3 4.13Å; F59-W62 AromaticContact CE1-CZ3 3.84Å; F59-W62 HydrophobicContact CE1-CZ3 3.84Å; W62-L64 VanDerWaalsContact C-N 3.32Å; W62-L64 PolarHBondContact O-N 3.4Å; W62-F65 PolarHBondContact O-N 3.01Å; W62-N66 VanDerWaalsContact CD1-ND2 3.33Å; W62-N66 PolarHBondContact NE1-ND2 3.2Å; W62-N66 PolarHBondContact NE1-OD1 2.88Å; W62-N66 VanDerWaalsContact O-CG 3.24Å; W62-N66 PolarHBondContact O-N 2.94Å; W62-N66 PolarHBondContact O-ND2 2.85Å; W62-I108 HydrophobicContact CH2-CG2 4.4Å; W62-N112 HydrophobicContact CH2-CB 3.69Å; W62-N112 HydrophobicContact CZ2-CB 3.95Å; W62-N112 WeakPolarHBondContact CZ2-O 3.43Å; W62-S115 WeakPolarHBondContact CZ2-OG 3.37Å; W62-S115 PolarHBondContact NE1-O 3.32Å; W62-L116 HydrophobicContact CD2-CD1 4.03Å; W62-L116 HydrophobicContact CE3-CD1 4.34Å; W62-L116 HydrophobicContact CG-CD1 4.43Å; W62-L116 HydrophobicContact CH2-CB 3.99Å; W62-L116 HydrophobicContact CZ2-CB 3.46Å; W62-L116 VanDerWaalsContact CZ2-CB 3.46Å; W62-L116 HydrophobicContact CZ2-CD1 4.25Å; W62-L116 HydrophobicContact CZ2-CG 4.34Å; W62-F119 AromaticContact CD1-CG 4Å |
| 63 | N | 78.4 | Confident | 71 | Confident | 89 Ų | 89 | 55.5 Ų | 55.5 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 175.3 | -73.7 | -28.4 | 0 | 0 | 0 | 112.1 | F59 Y60 L61 F65 N66 V67 | F59-N63 VanDerWaalsContact O-CB 3.23Å; F59-N63 WeakPolarHBondContact O-CB 3.36Å; F59-N63 PolarHBondContact O-N 2.81Å; F59-N63 PolarHBondContact O-ND2 2.88Å; F59-N63 VanDerWaalsContact O-ND2 3.08Å; Y60-N63 PolarHBondContact O-N 3.31Å; L61-N63 VanDerWaalsContact C-N 3.34Å; L61-N63 PolarHBondContact O-N 2.76Å; N63-F65 VanDerWaalsContact C-N 3.33Å; N63-F65 PolarHBondContact O-N 3.34Å; N63-N66 PolarHBondContact O-N 3.01Å; N63-V67 VanDerWaalsContact O-CG2 3.3Å; N63-V67 WeakPolarHBondContact O-CG2 3.39Å; N63-V67 PolarHBondContact O-N 3.36Å |
| 64 | L | 74.1 | Confident | 71.4 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 176.2 | -151 | 93 | 0 | 0 | 0 | 111.7 | Y60 L61 W62 V67 I75 V77 L87 | Y60-L64 HydrophobicContact CE1-CD1 3.7Å; Y60-L64 WeakPolarHBondContact O-CB 3.49Å; Y60-L64 PolarHBondContact O-N 3.43Å; L61-L64 VanDerWaalsContact O-CB 3.24Å; L61-L64 WeakPolarHBondContact O-CB 3.32Å; L61-L64 PolarHBondContact O-N 3.46Å; L61-L64 VanDerWaalsContact O-N 3.1Å; W62-L64 VanDerWaalsContact C-N 3.32Å; W62-L64 PolarHBondContact O-N 3.4Å; L64-V67 PolarHBondContact O-N 2.9Å; L64-I75 HydrophobicContact CD2-CD1 4.1Å; L64-I75 HydrophobicContact CD2-CG2 3.7Å; L64-I75 HydrophobicContact CG-CG2 3.97Å; L64-V77 HydrophobicContact CD1-CG2 3.52Å; L64-V77 HydrophobicContact CD2-CG2 4.15Å; L64-V77 HydrophobicContact CG-CG2 4.06Å; L64-L87 HydrophobicContact CD2-CD1 3.42Å; L64-L87 VanDerWaalsContact CD2-CD1 3.42Å; L64-L87 HydrophobicContact CD2-CD2 4.03Å; L64-L87 HydrophobicContact CD2-CG 4.37Å |
| 65 | F | 75 | Confident | 71.3 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 177.5 | -87.4 | -94.1 | 0 | 0 | 0 | 111.7 | L61 W62 N63 V67 T68 I75 K84 L87 F88 F119 | L61-F65 VanDerWaalsContact O-CD2 3.31Å; L61-F65 WeakPolarHBondContact O-CD2 3.46Å; L61-F65 PolarHBondContact O-N 2.92Å; W62-F65 PolarHBondContact O-N 3.01Å; N63-F65 VanDerWaalsContact C-N 3.33Å; N63-F65 PolarHBondContact O-N 3.34Å; F65-V67 VanDerWaalsContact C-N 3.25Å; F65-V67 PolarHBondContact O-N 3.14Å; F65-T68 PolarHBondContact O-N 3.07Å; F65-T68 VanDerWaalsContact O-O 3.13Å; F65-T68 PolarHBondContact O-OG1 3.34Å; F65-T68 VanDerWaalsContact O-OG1 3.08Å; F65-I75 HydrophobicContact CD1-CD1 4.17Å; F65-I75 HydrophobicContact CD2-CD1 4.23Å; F65-I75 HydrophobicContact CE1-CD1 4.23Å; F65-I75 HydrophobicContact CE2-CD1 4.3Å; F65-I75 HydrophobicContact CG-CD1 4.18Å; F65-I75 HydrophobicContact CZ-CD1 4.3Å; F65-K84 HydrophobicContact CD1-CD 4.25Å; F65-K84 HydrophobicContact CE1-CB 4.05Å; F65-K84 HydrophobicContact CE1-CD 3.75Å; F65-K84 HydrophobicContact CE1-CG 3.76Å; F65-K84 HydrophobicContact CZ-CB 4.23Å; F65-K84 HydrophobicContact CZ-CG 4.24Å; F65-L87 HydrophobicContact CE2-CB 3.84Å; F65-L87 HydrophobicContact CE2-CD1 4.39Å; F65-L87 HydrophobicContact CZ-CB 4.09Å; F65-F88 HydrophobicContact CD1-CE1 4.26Å; F65-F88 HydrophobicContact CD1-CZ 4.09Å; F65-F88 HydrophobicContact CE1-CD1 4.19Å; F65-F88 HydrophobicContact CE1-CD2 4.44Å; F65-F88 AromaticContact CE1-CE1 3.47Å; F65-F88 HydrophobicContact CE1-CE1 3.47Å; F65-F88 VanDerWaalsContact CE1-CE1 3.47Å; F65-F88 AromaticContact CE1-CE2 3.76Å; F65-F88 HydrophobicContact CE1-CE2 3.76Å; F65-F88 AromaticContact CE1-CZ 3.22Å; F65-F88 HydrophobicContact CE1-CZ 3.22Å; F65-F88 HydrophobicContact CE2-CD1 4.15Å; F65-F88 AromaticContact CE2-CE1 3.99Å; F65-F88 HydrophobicContact CE2-CE1 3.99Å; F65-F88 AromaticContact CZ-CD1 3.58Å; F65-F88 HydrophobicContact CZ-CD1 3.58Å; F65-F88 HydrophobicContact CZ-CD2 4.17Å; F65-F88 AromaticContact CZ-CE1 3.31Å; F65-F88 HydrophobicContact CZ-CE1 3.31Å; F65-F88 AromaticContact CZ-CE2 3.93Å; F65-F88 HydrophobicContact CZ-CE2 3.93Å; F65-F88 HydrophobicContact CZ-CG 4.02Å; F65-F88 AromaticContact CZ-CZ 3.51Å; F65-F88 HydrophobicContact CZ-CZ 3.51Å; F65-F119 HydrophobicContact CB-CD2 3.72Å; F65-F119 HydrophobicContact CB-CE2 4.18Å; F65-F119 HydrophobicContact CD1-CD2 4.04Å; F65-F119 HydrophobicContact CD1-CE2 4.23Å; F65-F119 AromaticContact CD2-CD2 3.88Å; F65-F119 HydrophobicContact CD2-CD2 3.88Å; F65-F119 AromaticContact CD2-CE2 3.44Å; F65-F119 HydrophobicContact CD2-CE2 3.44Å; F65-F119 VanDerWaalsContact CD2-CE2 3.44Å; F65-F119 AromaticContact CE2-CE2 3.78Å; F65-F119 HydrophobicContact CE2-CE2 3.78Å; F65-F119 AromaticContact CG-CD2 3.61Å; F65-F119 HydrophobicContact CG-CD2 3.61Å; F65-F119 AromaticContact CG-CE2 3.69Å; F65-F119 HydrophobicContact CG-CE2 3.69Å; F65-F119 HydrophobicContact CZ-CE2 4.31Å |
| 66 | N | 71.3 | Confident | 70.8 | Confident | 69 Ų | 69 | 54.5 Ų | 54.5 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.2 | -24 | 178.2 | -70.1 | -24.3 | 0 | 0 | 0 | 113.9 | W62 N63 T68 | W62-N66 VanDerWaalsContact CD1-ND2 3.33Å; W62-N66 PolarHBondContact NE1-ND2 3.2Å; W62-N66 PolarHBondContact NE1-OD1 2.88Å; W62-N66 VanDerWaalsContact O-CG 3.24Å; W62-N66 PolarHBondContact O-N 2.94Å; W62-N66 PolarHBondContact O-ND2 2.85Å; N63-N66 PolarHBondContact O-N 3.01Å; N66-T68 VanDerWaalsContact C-N 3.35Å |
| 67 | V | 68.5 | Low | 70.3 | Confident | 127 Ų | 127 | 55.7 Ų | 55.7 | 77% | 0.77 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -14.6 | 179.6 | 176.1 | 0 | 0 | 0 | 0 | 112.1 | N63 L64 F65 | N63-V67 VanDerWaalsContact O-CG2 3.3Å; N63-V67 WeakPolarHBondContact O-CG2 3.39Å; N63-V67 PolarHBondContact O-N 3.36Å; L64-V67 PolarHBondContact O-N 2.9Å; F65-V67 VanDerWaalsContact C-N 3.25Å; F65-V67 PolarHBondContact O-N 3.14Å |
| 68 | T | 65.1 | Low | 69.8 | Low | 20 Ų | 20 | 58 Ų | 58 | 12% | 0.123 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -107.1 | 147.7 | -179.6 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | F65 N66 V70 I75 | F65-T68 PolarHBondContact O-N 3.07Å; F65-T68 VanDerWaalsContact O-O 3.13Å; F65-T68 PolarHBondContact O-OG1 3.34Å; F65-T68 VanDerWaalsContact O-OG1 3.08Å; N66-T68 VanDerWaalsContact C-N 3.35Å; T68-V70 PolarHBondContact O-N 3.44Å; T68-I75 HydrophobicContact CG2-CB 4.07Å; T68-I75 HydrophobicContact CG2-CD1 4.38Å; T68-I75 HydrophobicContact CG2-CG1 3.82Å; T68-I75 HydrophobicContact CG2-CG2 3.72Å |
| 69 | P | 62.2 | Low | 68.6 | Low | 91 Ų | 91 | 64 Ų | 64 | 59% | 0.591 | 38% | 0.381 | S | S | * | . | trans | -56 | 138.6 | 172.8 | -14 | 24.1 | 0 | 0 | 0 | 110.4 | D71 S72 K84 | P69-D71 PolarHBondContact O-N 3.02Å; P69-D71 VanDerWaalsContact O-N 3.13Å; P69-S72 PolarHBondContact O-N 3.06Å; P69-S72 VanDerWaalsContact O-N 3.12Å; P69-S72 PolarHBondContact O-OG 3.36Å; P69-S72 VanDerWaalsContact O-OG 3.14Å; P69-K84 PolarHBondContact O-NZ 3.14Å | ||
| 70 | V | 58.5 | Low | 67.6 | Low | 76 Ų | 76 | 63.4 Ų | 63.4 | 46% | 0.461 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -36.8 | 179.6 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | T68 S72 K84 L118 T122 | T68-V70 PolarHBondContact O-N 3.44Å; V70-S72 PolarHBondContact O-N 3.09Å; V70-K84 PolarHBondContact O-NZ 3.37Å; V70-L118 HydrophobicContact CG1-CD1 4.43Å; V70-L118 HydrophobicContact CG2-CD2 3.62Å; V70-L118 HydrophobicContact CG2-CG 4.35Å; V70-T122 HydrophobicContact CG1-CG2 4.08Å |
| 71 | D | 62.4 | Low | 67.1 | Low | 153 Ų | 153 | 66.1 Ų | 66.1 | 82% | 0.818 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -8.3 | -175.4 | -55 | -30.5 | 0 | 0 | 0 | 115.1 | P69 | P69-D71 PolarHBondContact O-N 3.02Å; P69-D71 VanDerWaalsContact O-N 3.13Å |
| 72 | S | 67.9 | Low | 66.6 | Low | 33 Ų | 33 | 67 Ų | 67 | 23% | 0.231 | 41% | 0.407 | C | S | . | . | trans | -81.8 | 123.2 | 180 | 71.1 | 0 | 0 | 0 | 0 | 110.8 | P69 V70 I74 K84 | P69-S72 PolarHBondContact O-N 3.06Å; P69-S72 VanDerWaalsContact O-N 3.12Å; P69-S72 PolarHBondContact O-OG 3.36Å; P69-S72 VanDerWaalsContact O-OG 3.14Å; V70-S72 PolarHBondContact O-N 3.09Å; S72-I74 PolarHBondContact O-N 3.38Å; S72-I74 VanDerWaalsContact O-N 3.08Å; S72-I74 PolarHBondContact OG-O 3.41Å; S72-K84 WeakPolarHBondContact O-CD 3.25Å; S72-K84 WeakPolarHBondContact O-CE 3.45Å; S72-K84 PolarHBondContact O-NZ 3.37Å | ||
| 73 | D | 68.2 | Low | 66.1 | Low | 112 Ų | 112 | 69.4 Ų | 69.4 | 60% | 0.599 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -65.7 | -11.4 | 172.5 | -71.4 | -33 | 0 | 0 | 0 | 112.8 | K84 | D73-K84 PolarHBondContact O-N 3.39Š|
| 74 | I | 70 | Confident | 65.9 | Low | 90 Ų | 90 | 66.1 Ų | 66.1 | 46% | 0.462 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 139.8 | -167.9 | -61.1 | 175.2 | 0 | 0 | 0 | 110 | S72 V81 M82 | S72-I74 PolarHBondContact O-N 3.38Å; S72-I74 VanDerWaalsContact O-N 3.08Å; S72-I74 PolarHBondContact OG-O 3.41Å; I74-V81 HydrophobicContact CG2-CB 4.44Å; I74-V81 HydrophobicContact CG2-CG1 3.15Å; I74-M82 CarbonylContact C-O 3.57Å; I74-M82 VanDerWaalsContact CA-O 3.24Å; I74-M82 WeakPolarHBondContact CA-O 3.25Å; I74-M82 WeakPolarHBondContact CG2-O 3.28Å |
| 75 | I | 67.1 | Low | 65.9 | Low | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.01 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.4 | 172.1 | -61 | -172.1 | 0 | 0 | 0 | 109 | L64 F65 T68 V77 M82 K84 L87 | L64-I75 HydrophobicContact CD2-CD1 4.1Å; L64-I75 HydrophobicContact CD2-CG2 3.7Å; L64-I75 HydrophobicContact CG-CG2 3.97Å; F65-I75 HydrophobicContact CD1-CD1 4.17Å; F65-I75 HydrophobicContact CD2-CD1 4.23Å; F65-I75 HydrophobicContact CE1-CD1 4.23Å; F65-I75 HydrophobicContact CE2-CD1 4.3Å; F65-I75 HydrophobicContact CG-CD1 4.18Å; F65-I75 HydrophobicContact CZ-CD1 4.3Å; T68-I75 HydrophobicContact CG2-CB 4.07Å; T68-I75 HydrophobicContact CG2-CD1 4.38Å; T68-I75 HydrophobicContact CG2-CG1 3.82Å; T68-I75 HydrophobicContact CG2-CG2 3.72Å; I75-V77 HydrophobicContact CG2-CG2 3.87Å; I75-M82 PolarHBondContact N-O 3.08Å; I75-M82 PolarHBondContact O-N 3.01Å; I75-K84 HydrophobicContact CD1-CG 3.78Å; I75-K84 HydrophobicContact CG1-CG 3.69Å; I75-L87 HydrophobicContact CB-CD1 4.16Å; I75-L87 HydrophobicContact CD1-CD1 3.61Å; I75-L87 HydrophobicContact CG1-CD1 4.22Å |
| 76 | S | 62.2 | Low | 65.9 | Low | 83 Ų | 83 | 73 Ų | 73 | 58% | 0.58 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 111.5 | 174.5 | 58 | 0 | 0 | 0 | 0 | 110.5 | V80 | S76-V80 WeakPolarHBondContact CA-O 3.46Å |
| 77 | V | 58.8 | Low | 66.1 | Low | 49 Ų | 49 | 69.8 Ų | 69.8 | 30% | 0.297 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 96.6 | 173.7 | -171 | 0 | 0 | 0 | 0 | 107.9 | L64 I75 V80 | L64-V77 HydrophobicContact CD1-CG2 3.52Å; L64-V77 HydrophobicContact CD2-CG2 4.15Å; L64-V77 HydrophobicContact CG-CG2 4.06Å; I75-V77 HydrophobicContact CG2-CG2 3.87Å; V77-V80 PolarHBondContact N-O 3.34Å; V77-V80 PolarHBondContact O-N 2.87Å; V77-V80 VanDerWaalsContact O-N 3.17Å |
| 78 | G | 62 | Low | 66.7 | Low | 70 Ų | 70 | 64.2 Ų | 64.2 | 72% | 0.722 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | -123.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V80 | G78-V80 VanDerWaalsContact C-N 3.32Š|
| 79 | P | 55.4 | Low | 67.5 | Low | 129 Ų | 129 | 65.9 Ų | 65.9 | 84% | 0.838 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -8.1 | 179.2 | 33.3 | -34.5 | 0 | 0 | 0 | 114.1 | ||
| 80 | V | 57.6 | Low | 68.3 | Low | 48 Ų | 48 | 61.9 Ų | 61.9 | 29% | 0.291 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.8 | -174.5 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | S76 V77 G78 M82 | S76-V80 WeakPolarHBondContact CA-O 3.46Å; V77-V80 PolarHBondContact N-O 3.34Å; V77-V80 PolarHBondContact O-N 2.87Å; V77-V80 VanDerWaalsContact O-N 3.17Å; G78-V80 VanDerWaalsContact C-N 3.32Å; V80-M82 HydrophobicContact CG1-CG 3.78Å; V80-M82 HydrophobicContact CG1-SD 4.46Å |
| 81 | V | 64.3 | Low | 69.4 | Low | 101 Ų | 101 | 58.3 Ų | 58.3 | 61% | 0.612 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 121.3 | 175.1 | -178.3 | 0 | 0 | 0 | 0 | 107.6 | I74 | I74-V81 HydrophobicContact CG2-CB 4.44Å; I74-V81 HydrophobicContact CG2-CG1 3.15Å |
| 82 | M | 67.1 | Low | 70.4 | Confident | 18 Ų | 18 | 51.1 Ų | 51.1 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 139.8 | -173.6 | -74.4 | -156.2 | 70.1 | 0 | 0 | 111.7 | V2 I6 I74 I75 V80 C86 L87 | V2-M82 HydrophobicContact CG1-CE 3.87Å; I6-M82 HydrophobicContact CD1-CE 3.13Å; I6-M82 HydrophobicContact CD1-SD 3.63Å; I6-M82 HydrophobicContact CG1-CE 3.71Å; I6-M82 HydrophobicContact CG1-SD 3.46Å; I6-M82 WeakPolarHBondContact CG1-SD 3.42Å; I74-M82 CarbonylContact C-O 3.57Å; I74-M82 VanDerWaalsContact CA-O 3.24Å; I74-M82 WeakPolarHBondContact CA-O 3.25Å; I74-M82 WeakPolarHBondContact CG2-O 3.28Å; I75-M82 PolarHBondContact N-O 3.08Å; I75-M82 PolarHBondContact O-N 3.01Å; V80-M82 HydrophobicContact CG1-CG 3.78Å; V80-M82 HydrophobicContact CG1-SD 4.46Å; M82-C86 HydrophobicContact CE-CB 3.92Å; M82-L87 HydrophobicContact CE-CD2 4.29Å; M82-L87 HydrophobicContact CE-CG 4.33Å; M82-L87 HydrophobicContact SD-CD2 4.25Å |
| 83 | D | 71.5 | Confident | 71 | Confident | 58 Ų | 58 | 53.2 Ų | 53.2 | 31% | 0.31 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 132.9 | 168.6 | -171.2 | -26.3 | 0 | 0 | 0 | 109.5 | R85 C86 | D83-R85 PolarHBondContact O-N 2.86Å; D83-R85 VanDerWaalsContact O-N 3.14Å; D83-R85 WeakPolarHBondContact OD1-CB 3.2Å; D83-R85 WeakPolarHBondContact OD1-CG 3.45Å; D83-R85 PolarHBondContact OD1-N 3.19Å; D83-C86 WeakPolarHBondContact O-CB 3.37Å; D83-C86 PolarHBondContact O-N 3.16Å |
| 84 | K | 73.9 | Confident | 71.5 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -51.2 | -34.1 | 173.7 | -80.4 | -174.9 | 174.6 | 160.8 | 0 | 111.7 | F65 P69 V70 S72 D73 I75 C86 L87 F88 | F65-K84 HydrophobicContact CD1-CD 4.25Å; F65-K84 HydrophobicContact CE1-CB 4.05Å; F65-K84 HydrophobicContact CE1-CD 3.75Å; F65-K84 HydrophobicContact CE1-CG 3.76Å; F65-K84 HydrophobicContact CZ-CB 4.23Å; F65-K84 HydrophobicContact CZ-CG 4.24Å; P69-K84 PolarHBondContact O-NZ 3.14Å; V70-K84 PolarHBondContact O-NZ 3.37Å; S72-K84 WeakPolarHBondContact O-CD 3.25Å; S72-K84 WeakPolarHBondContact O-CE 3.45Å; S72-K84 PolarHBondContact O-NZ 3.37Å; D73-K84 PolarHBondContact O-N 3.39Å; I75-K84 HydrophobicContact CD1-CG 3.78Å; I75-K84 HydrophobicContact CG1-CG 3.69Å; K84-C86 VanDerWaalsContact C-N 3.3Å; K84-C86 PolarHBondContact O-N 3.04Å; K84-L87 WeakPolarHBondContact O-CB 3.48Å; K84-L87 PolarHBondContact O-N 3.27Å; K84-L87 VanDerWaalsContact O-N 3.07Å; K84-F88 PolarHBondContact O-N 3.49Å |
| 85 | R | 74.5 | Confident | 71.9 | Confident | 137 Ų | 137 | 50 Ų | 50 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.8 | -40 | 177.9 | -61 | 177.7 | -177.8 | 178.5 | 1.8 | 112.5 | D83 L87 F88 Q89 H126 | D83-R85 PolarHBondContact O-N 2.86Å; D83-R85 VanDerWaalsContact O-N 3.14Å; D83-R85 WeakPolarHBondContact OD1-CB 3.2Å; D83-R85 WeakPolarHBondContact OD1-CG 3.45Å; D83-R85 PolarHBondContact OD1-N 3.19Å; R85-L87 VanDerWaalsContact C-N 3.29Å; R85-L87 PolarHBondContact O-N 3.48Å; R85-F88 PolarHBondContact O-N 3.43Å; R85-Q89 WeakPolarHBondContact O-CB 3.19Å; R85-Q89 PolarHBondContact O-N 2.91Å; R85-H126 VanDerWaalsContact CG-CE1 3.47Å; R85-H126 WeakPolarHBondContact CG-CE1 3.28Å |
| 86 | C | 75 | Confident | 72.6 | Confident | 45 Ų | 45 | 49.9 Ų | 49.9 | 30% | 0.304 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.7 | -34.2 | 178 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | M82 D83 K84 Y90 | M82-C86 HydrophobicContact CE-CB 3.92Å; D83-C86 WeakPolarHBondContact O-CB 3.37Å; D83-C86 PolarHBondContact O-N 3.16Å; K84-C86 VanDerWaalsContact C-N 3.3Å; K84-C86 PolarHBondContact O-N 3.04Å; C86-Y90 PolarHBondContact O-N 3.48Å |
| 87 | L | 75.4 | Confident | 73.6 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.6 | -36.3 | 178.4 | -68.3 | 164.7 | 0 | 0 | 0 | 112 | L61 L64 F65 I75 M82 K84 R85 Y90 F91 | L61-L87 HydrophobicContact CD2-CB 4.46Å; L61-L87 HydrophobicContact CD2-CD2 3.81Å; L64-L87 HydrophobicContact CD2-CD1 3.42Å; L64-L87 VanDerWaalsContact CD2-CD1 3.42Å; L64-L87 HydrophobicContact CD2-CD2 4.03Å; L64-L87 HydrophobicContact CD2-CG 4.37Å; F65-L87 HydrophobicContact CE2-CB 3.84Å; F65-L87 HydrophobicContact CE2-CD1 4.39Å; F65-L87 HydrophobicContact CZ-CB 4.09Å; I75-L87 HydrophobicContact CB-CD1 4.16Å; I75-L87 HydrophobicContact CD1-CD1 3.61Å; I75-L87 HydrophobicContact CG1-CD1 4.22Å; M82-L87 HydrophobicContact CE-CD2 4.29Å; M82-L87 HydrophobicContact CE-CG 4.33Å; M82-L87 HydrophobicContact SD-CD2 4.25Å; K84-L87 WeakPolarHBondContact O-CB 3.48Å; K84-L87 PolarHBondContact O-N 3.27Å; K84-L87 VanDerWaalsContact O-N 3.07Å; R85-L87 VanDerWaalsContact C-N 3.29Å; R85-L87 PolarHBondContact O-N 3.48Å; L87-Y90 PolarHBondContact O-N 3.11Å; L87-F91 WeakPolarHBondContact O-CB 3.28Å; L87-F91 PolarHBondContact O-N 3.5Å |
| 88 | F | 82.5 | Confident | 74.7 | Confident | 10 Ų | 10 | 44.6 Ų | 44.6 | 4% | 0.044 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.4 | -39 | 171.2 | -73.4 | -42 | 0 | 0 | 0 | 112.6 | F65 K84 R85 Y90 F91 S92 F119 F123 H126 | F65-F88 HydrophobicContact CD1-CE1 4.26Å; F65-F88 HydrophobicContact CD1-CZ 4.09Å; F65-F88 HydrophobicContact CE1-CD1 4.19Å; F65-F88 HydrophobicContact CE1-CD2 4.44Å; F65-F88 AromaticContact CE1-CE1 3.47Å; F65-F88 HydrophobicContact CE1-CE1 3.47Å; F65-F88 VanDerWaalsContact CE1-CE1 3.47Å; F65-F88 AromaticContact CE1-CE2 3.76Å; F65-F88 HydrophobicContact CE1-CE2 3.76Å; F65-F88 AromaticContact CE1-CZ 3.22Å; F65-F88 HydrophobicContact CE1-CZ 3.22Å; F65-F88 HydrophobicContact CE2-CD1 4.15Å; F65-F88 AromaticContact CE2-CE1 3.99Å; F65-F88 HydrophobicContact CE2-CE1 3.99Å; F65-F88 AromaticContact CZ-CD1 3.58Å; F65-F88 HydrophobicContact CZ-CD1 3.58Å; F65-F88 HydrophobicContact CZ-CD2 4.17Å; F65-F88 AromaticContact CZ-CE1 3.31Å; F65-F88 HydrophobicContact CZ-CE1 3.31Å; F65-F88 AromaticContact CZ-CE2 3.93Å; F65-F88 HydrophobicContact CZ-CE2 3.93Å; F65-F88 HydrophobicContact CZ-CG 4.02Å; F65-F88 AromaticContact CZ-CZ 3.51Å; F65-F88 HydrophobicContact CZ-CZ 3.51Å; K84-F88 PolarHBondContact O-N 3.49Å; R85-F88 PolarHBondContact O-N 3.43Å; F88-Y90 VanDerWaalsContact C-N 3.3Å; F88-Y90 PolarHBondContact O-N 2.88Å; F88-F91 WeakPolarHBondContact O-CB 3.33Å; F88-F91 PolarHBondContact O-N 3.14Å; F88-S92 WeakPolarHBondContact O-CB 3.12Å; F88-S92 PolarHBondContact O-N 3Å; F88-F119 HydrophobicContact CD1-CE2 4.32Å; F88-F119 HydrophobicContact CE1-CD2 4.18Å; F88-F119 AromaticContact CE1-CE2 3.66Å; F88-F119 HydrophobicContact CE1-CE2 3.66Å; F88-F119 HydrophobicContact CE1-CZ 4.36Å; F88-F123 HydrophobicContact CB-CD2 3.83Å; F88-F123 HydrophobicContact CB-CE2 3.97Å; F88-F123 HydrophobicContact CD1-CB 4Å; F88-F123 AromaticContact CD1-CD2 3.32Å; F88-F123 HydrophobicContact CD1-CD2 3.32Å; F88-F123 HydrophobicContact CD1-CE2 4.15Å; F88-F123 HydrophobicContact CD1-CG 4.03Å; F88-F123 HydrophobicContact CE1-CB 3.66Å; F88-F123 AromaticContact CE1-CD2 3.92Å; F88-F123 HydrophobicContact CE1-CD2 3.92Å; F88-F123 HydrophobicContact CE1-CG 4.2Å; F88-F123 AromaticContact CG-CD2 3.69Å; F88-F123 HydrophobicContact CG-CD2 3.69Å; F88-F123 HydrophobicContact CG-CE2 4.33Å; F88-F123 HydrophobicContact CZ-CB 4.2Å; F88-H126 HydrophobicContact CD2-CB 3.75Å; F88-H126 AromaticContact CD2-CD2 3.7Å; F88-H126 AromaticContact CD2-CG 3.61Å; F88-H126 HydrophobicContact CE2-CB 3.98Å; F88-H126 AromaticContact CG-CD2 3.98Å |
| 89 | Q | 80.5 | Confident | 75.6 | Confident | 55 Ų | 55 | 41.6 Ų | 41.6 | 26% | 0.257 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.2 | -45.1 | 171.8 | -171.2 | 174.9 | 12.9 | 0 | 0 | 110.7 | R85 S92 Q93 Y136 | R85-Q89 WeakPolarHBondContact O-CB 3.19Å; R85-Q89 PolarHBondContact O-N 2.91Å; Q89-S92 PolarHBondContact O-N 2.74Å; Q89-Q93 HydrophobicContact CG-CG 4.43Å; Q89-Q93 WeakPolarHBondContact O-CB 3.33Å; Q89-Q93 VanDerWaalsContact O-CG 3.25Å; Q89-Q93 WeakPolarHBondContact O-CG 3.17Å; Q89-Q93 PolarHBondContact O-N 3.39Å; Q89-Y136 VanDerWaalsContact CA-OH 3.28Å; Q89-Y136 WeakPolarHBondContact CA-OH 3.37Å; Q89-Y136 WeakPolarHBondContact CB-OH 3.46Å |
| 90 | Y | 78.4 | Confident | 76.8 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 175.7 | -168.5 | -117.7 | 0 | 0 | 0 | 112.5 | F3 I10 Y57 L61 C86 L87 F88 S92 Q93 E94 | F3-Y90 AromaticContact CD1-CD2 3.57Å; F3-Y90 HydrophobicContact CD1-CD2 3.57Å; F3-Y90 HydrophobicContact CD1-CE2 4.09Å; F3-Y90 HydrophobicContact CD1-CG 4.35Å; F3-Y90 AromaticContact CE1-CD2 3.51Å; F3-Y90 HydrophobicContact CE1-CD2 3.51Å; F3-Y90 HydrophobicContact CE1-CE2 4.44Å; F3-Y90 HydrophobicContact CE1-CG 4.05Å; I10-Y90 HydrophobicContact CD1-CE1 4Å; Y57-Y90 AromaticContact CD1-CE1 3.89Å; Y57-Y90 HydrophobicContact CD1-CE1 3.89Å; Y57-Y90 AromaticContact CE1-CE1 4Å; Y57-Y90 HydrophobicContact CE1-CE1 4Å; Y57-Y90 AromaticContact CE1-CZ 4Å; Y57-Y90 WeakPolarHBondContact CE1-OH 3.3Å; L61-Y90 HydrophobicContact CD1-CD1 4.04Å; L61-Y90 HydrophobicContact CD2-CD1 4.32Å; C86-Y90 PolarHBondContact O-N 3.48Å; L87-Y90 PolarHBondContact O-N 3.11Å; F88-Y90 VanDerWaalsContact C-N 3.3Å; F88-Y90 PolarHBondContact O-N 2.88Å; Y90-S92 PolarHBondContact O-N 2.76Å; Y90-Q93 PolarHBondContact O-N 3.44Å; Y90-Q93 VanDerWaalsContact O-N 3.15Å; Y90-E94 HydrophobicContact CD1-CG 4.17Å; Y90-E94 HydrophobicContact CD2-CG 3.75Å; Y90-E94 HydrophobicContact CE1-CG 3.8Å; Y90-E94 HydrophobicContact CE2-CG 3.37Å; Y90-E94 WeakPolarHBondContact CE2-OE1 2.99Å; Y90-E94 HydrophobicContact CG-CG 4.16Å; Y90-E94 WeakPolarHBondContact O-CB 3.36Å; Y90-E94 WeakPolarHBondContact O-CG 3.49Å; Y90-E94 PolarHBondContact O-N 2.92Å |
| 91 | F | 82.5 | Confident | 78 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -53.2 | -42.2 | 176.9 | -179.1 | -96.4 | 0 | 0 | 0 | 112 | F58 L61 L87 F88 C96 C97 F119 F123 | F58-F91 AromaticContact CD2-CE2 3.73Å; F58-F91 HydrophobicContact CD2-CE2 3.73Å; F58-F91 HydrophobicContact CD2-CZ 4.02Å; F58-F91 HydrophobicContact CE2-CE2 4.29Å; F58-F91 HydrophobicContact CE2-CZ 4.27Å; L61-F91 HydrophobicContact CB-CD2 4.29Å; L61-F91 HydrophobicContact CD1-CB 3.89Å; L61-F91 HydrophobicContact CD1-CD2 3.81Å; L61-F91 HydrophobicContact CD1-CG 4.35Å; L87-F91 WeakPolarHBondContact O-CB 3.28Å; L87-F91 PolarHBondContact O-N 3.5Å; F88-F91 WeakPolarHBondContact O-CB 3.33Å; F88-F91 PolarHBondContact O-N 3.14Å; F91-C96 HydrophobicContact CD1-CB 4.36Å; F91-C96 HydrophobicContact CD2-CB 3.45Å; F91-C96 VanDerWaalsContact CD2-CB 3.45Å; F91-C96 HydrophobicContact CE1-CB 4.28Å; F91-C96 HydrophobicContact CE2-CB 3.34Å; F91-C96 HydrophobicContact CG-CB 3.97Å; F91-C96 HydrophobicContact CZ-CB 3.78Å; F91-C96 WeakPolarHBondContact O-CB 3.45Å; F91-C96 PolarHBondContact O-N 2.8Å; F91-C96 VanDerWaalsContact O-N 3.11Å; F91-C96 PolarHBondContact O-SG 2.98Å; F91-C97 VanDerWaalsContact CE1-SG 3.51Å; F91-F119 HydrophobicContact CD2-CE1 4.26Å; F91-F119 AromaticContact CD2-CZ 3.77Å; F91-F119 HydrophobicContact CD2-CZ 3.77Å; F91-F119 HydrophobicContact CE1-CE1 4.36Å; F91-F119 HydrophobicContact CE1-CZ 4.41Å; F91-F119 AromaticContact CE2-CE1 3.62Å; F91-F119 HydrophobicContact CE2-CE1 3.62Å; F91-F119 AromaticContact CE2-CZ 3.61Å; F91-F119 HydrophobicContact CE2-CZ 3.61Å; F91-F119 HydrophobicContact CG-CZ 4.24Å; F91-F119 AromaticContact CZ-CE1 3.69Å; F91-F119 HydrophobicContact CZ-CE1 3.69Å; F91-F119 AromaticContact CZ-CZ 3.97Å; F91-F119 HydrophobicContact CZ-CZ 3.97Å; F91-F123 HydrophobicContact CD1-CD1 4.14Å; F91-F123 HydrophobicContact CD1-CD2 4.31Å; F91-F123 AromaticContact CD1-CE1 3.71Å; F91-F123 HydrophobicContact CD1-CE1 3.71Å; F91-F123 AromaticContact CD1-CE2 3.89Å; F91-F123 HydrophobicContact CD1-CE2 3.89Å; F91-F123 HydrophobicContact CD1-CG 4.41Å; F91-F123 AromaticContact CD1-CZ 3.57Å; F91-F123 HydrophobicContact CD1-CZ 3.57Å; F91-F123 AromaticContact CE1-CD1 3.9Å; F91-F123 HydrophobicContact CE1-CD1 3.9Å; F91-F123 AromaticContact CE1-CE1 3.63Å; F91-F123 HydrophobicContact CE1-CE1 3.63Å; F91-F123 HydrophobicContact CE1-CG 4.48Å; F91-F123 AromaticContact CE1-CZ 4Å; F91-F123 HydrophobicContact CE1-CZ 4Å |
| 92 | S | 82.8 | Confident | 78.5 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -75.8 | -40.8 | 178.5 | -160.3 | 0 | 0 | 0 | 0 | 112.8 | F88 Q89 Y90 K95 H135 Y136 | F88-S92 WeakPolarHBondContact O-CB 3.12Å; F88-S92 PolarHBondContact O-N 3Å; Q89-S92 PolarHBondContact O-N 2.74Å; Y90-S92 PolarHBondContact O-N 2.76Å; S92-K95 PolarHBondContact O-N 3.01Å; S92-H135 PolarHBondContact OG-CD2 3.1Å; S92-H135 PolarHBondContact OG-O 3.29Å; S92-Y136 WeakPolarHBondContact OG-CD1 3.25Å; S92-Y136 PolarHBondContact OG-N 3.43Å |
| 93 | Q | 81.5 | Confident | 78.6 | Confident | 76 Ų | 76 | 37.2 Ų | 37.2 | 36% | 0.355 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67.2 | -40.1 | 179.6 | -77.2 | 177.4 | -9 | 0 | 0 | 112.6 | Q89 Y90 K95 | Q89-Q93 HydrophobicContact CG-CG 4.43Å; Q89-Q93 WeakPolarHBondContact O-CB 3.33Å; Q89-Q93 VanDerWaalsContact O-CG 3.25Å; Q89-Q93 WeakPolarHBondContact O-CG 3.17Å; Q89-Q93 PolarHBondContact O-N 3.39Å; Y90-Q93 PolarHBondContact O-N 3.44Å; Y90-Q93 VanDerWaalsContact O-N 3.15Å; Q93-K95 PolarHBondContact O-N 3.23Å |
| 94 | E | 77.7 | Confident | 78.6 | Confident | 57 Ų | 57 | 41.9 Ų | 41.9 | 27% | 0.266 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 6.7 | 174.7 | -63.6 | -57.2 | 148.5 | 0 | 0 | 112.9 | Y90 C96 | Y90-E94 HydrophobicContact CD1-CG 4.17Å; Y90-E94 HydrophobicContact CD2-CG 3.75Å; Y90-E94 HydrophobicContact CE1-CG 3.8Å; Y90-E94 HydrophobicContact CE2-CG 3.37Å; Y90-E94 WeakPolarHBondContact CE2-OE1 2.99Å; Y90-E94 HydrophobicContact CG-CG 4.16Å; Y90-E94 WeakPolarHBondContact O-CB 3.36Å; Y90-E94 WeakPolarHBondContact O-CG 3.49Å; Y90-E94 PolarHBondContact O-N 2.92Å; E94-C96 PolarHBondContact O-N 3.29Å; E94-C96 VanDerWaalsContact O-N 3.13Å |
| 95 | K | 78.6 | Confident | 78.7 | Confident | 77 Ų | 77 | 42.9 Ų | 42.9 | 34% | 0.335 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 38.8 | 173.9 | -67.2 | 171 | 163.4 | -144.9 | 0 | 112.4 | S92 Q93 C97 Y98 E138 | S92-K95 PolarHBondContact O-N 3.01Å; Q93-K95 PolarHBondContact O-N 3.23Å; K95-C97 PolarHBondContact O-N 2.76Å; K95-C97 VanDerWaalsContact O-N 3.14Å; K95-Y98 HydrophobicContact CB-CD1 3.93Å; K95-Y98 HydrophobicContact CB-CD2 3.74Å; K95-Y98 HydrophobicContact CB-CE1 3.98Å; K95-Y98 HydrophobicContact CB-CE2 3.84Å; K95-Y98 HydrophobicContact CB-CG 3.8Å; K95-Y98 HydrophobicContact CD-CD2 4.1Å; K95-Y98 HydrophobicContact CD-CE1 4.44Å; K95-Y98 HydrophobicContact CD-CE2 3.43Å; K95-Y98 VanDerWaalsContact CD-CE2 3.43Å; K95-Y98 VanDerWaalsContact CE-OH 3.29Å; K95-Y98 WeakPolarHBondContact CE-OH 3.28Å; K95-Y98 HydrophobicContact CG-CD1 4.49Å; K95-Y98 HydrophobicContact CG-CD2 4.27Å; K95-Y98 HydrophobicContact CG-CE1 4.02Å; K95-Y98 HydrophobicContact CG-CE2 3.85Å; K95-Y98 PolarHBondContact NZ-OH 2.67Å; K95-Y98 VanDerWaalsContact O-CB 3.23Å; K95-Y98 WeakPolarHBondContact O-CB 3.33Å; K95-Y98 PolarHBondContact O-N 3.37Å; K95-E138 WeakPolarHBondContact CE-OE2 3.48Å; K95-E138 IonicContact NZ-OE2 3.8Å |
| 96 | C | 82.1 | Confident | 78.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -59.4 | -29.8 | -176.3 | -70.1 | 0 | 0 | 0 | 0 | 112.5 | F58 F91 E94 Y98 V99 | F58-C96 HydrophobicContact CB-CB 4.3Å; F91-C96 HydrophobicContact CD1-CB 4.36Å; F91-C96 HydrophobicContact CD2-CB 3.45Å; F91-C96 VanDerWaalsContact CD2-CB 3.45Å; F91-C96 HydrophobicContact CE1-CB 4.28Å; F91-C96 HydrophobicContact CE2-CB 3.34Å; F91-C96 HydrophobicContact CG-CB 3.97Å; F91-C96 HydrophobicContact CZ-CB 3.78Å; F91-C96 WeakPolarHBondContact O-CB 3.45Å; F91-C96 PolarHBondContact O-N 2.8Å; F91-C96 VanDerWaalsContact O-N 3.11Å; F91-C96 PolarHBondContact O-SG 2.98Å; E94-C96 PolarHBondContact O-N 3.29Å; E94-C96 VanDerWaalsContact O-N 3.13Å; C96-Y98 PolarHBondContact O-N 2.91Å; C96-V99 WeakPolarHBondContact O-CG1 3.35Å; C96-V99 WeakPolarHBondContact O-CG2 3.47Å; C96-V99 PolarHBondContact O-N 3.17Å |
| 97 | C | 83.6 | Confident | 79.1 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -63.7 | -19.2 | 175.6 | -64.5 | 0 | 0 | 0 | 0 | 114 | F91 K95 V99 C142 | F91-C97 VanDerWaalsContact CE1-SG 3.51Å; K95-C97 PolarHBondContact O-N 2.76Å; K95-C97 VanDerWaalsContact O-N 3.14Å; C97-V99 PolarHBondContact O-N 2.95Å; C97-C142 HydrophobicContact CB-CB 3.63Å |
| 98 | Y | 82.3 | Confident | 79.4 | Confident | 18 Ų | 18 | 43.4 Ų | 43.4 | 7% | 0.071 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -70.9 | -20.4 | -174.7 | -70.3 | 16.7 | 0 | 0 | 0 | 112.5 | K95 C96 W100 F101 E138 F304 | K95-Y98 HydrophobicContact CB-CD1 3.93Å; K95-Y98 HydrophobicContact CB-CD2 3.74Å; K95-Y98 HydrophobicContact CB-CE1 3.98Å; K95-Y98 HydrophobicContact CB-CE2 3.84Å; K95-Y98 HydrophobicContact CB-CG 3.8Å; K95-Y98 HydrophobicContact CD-CD2 4.1Å; K95-Y98 HydrophobicContact CD-CE1 4.44Å; K95-Y98 HydrophobicContact CD-CE2 3.43Å; K95-Y98 VanDerWaalsContact CD-CE2 3.43Å; K95-Y98 VanDerWaalsContact CE-OH 3.29Å; K95-Y98 WeakPolarHBondContact CE-OH 3.28Å; K95-Y98 HydrophobicContact CG-CD1 4.49Å; K95-Y98 HydrophobicContact CG-CD2 4.27Å; K95-Y98 HydrophobicContact CG-CE1 4.02Å; K95-Y98 HydrophobicContact CG-CE2 3.85Å; K95-Y98 PolarHBondContact NZ-OH 2.67Å; K95-Y98 VanDerWaalsContact O-CB 3.23Å; K95-Y98 WeakPolarHBondContact O-CB 3.33Å; K95-Y98 PolarHBondContact O-N 3.37Å; C96-Y98 PolarHBondContact O-N 2.91Å; Y98-W100 PolarHBondContact O-N 3.23Å; Y98-F101 PolarHBondContact O-N 3.32Å; Y98-E138 PolarHBondContact OH-OE2 3.16Å; Y98-F304 HydrophobicContact CD1-CD2 4.24Å; Y98-F304 HydrophobicContact CD1-CE1 4.21Å; Y98-F304 AromaticContact CD1-CE2 3.44Å; Y98-F304 HydrophobicContact CD1-CE2 3.44Å; Y98-F304 VanDerWaalsContact CD1-CE2 3.44Å; Y98-F304 AromaticContact CD1-CZ 3.39Å; Y98-F304 HydrophobicContact CD1-CZ 3.39Å; Y98-F304 HydrophobicContact CD2-CB 4.07Å; Y98-F304 AromaticContact CD2-CD1 3.67Å; Y98-F304 HydrophobicContact CD2-CD1 3.67Å; Y98-F304 AromaticContact CD2-CD2 3.17Å; Y98-F304 HydrophobicContact CD2-CD2 3.17Å; Y98-F304 AromaticContact CD2-CE1 3.77Å; Y98-F304 HydrophobicContact CD2-CE1 3.77Å; Y98-F304 AromaticContact CD2-CE2 3.27Å; Y98-F304 HydrophobicContact CD2-CE2 3.27Å; Y98-F304 AromaticContact CD2-CG 3.35Å; Y98-F304 HydrophobicContact CD2-CG 3.35Å; Y98-F304 AromaticContact CD2-CZ 3.53Å; Y98-F304 HydrophobicContact CD2-CZ 3.53Å; Y98-F304 AromaticContact CE1-CE1 3.68Å; Y98-F304 HydrophobicContact CE1-CE1 3.68Å; Y98-F304 AromaticContact CE1-CE2 3.8Å; Y98-F304 HydrophobicContact CE1-CE2 3.8Å; Y98-F304 AromaticContact CE1-CZ 3.21Å; Y98-F304 HydrophobicContact CE1-CZ 3.21Å; Y98-F304 HydrophobicContact CE2-CB 4.17Å; Y98-F304 AromaticContact CE2-CD1 3.11Å; Y98-F304 HydrophobicContact CE2-CD1 3.11Å; Y98-F304 AromaticContact CE2-CD2 3.6Å; Y98-F304 HydrophobicContact CE2-CD2 3.6Å; Y98-F304 AromaticContact CE2-CE1 3.1Å; Y98-F304 HydrophobicContact CE2-CE1 3.1Å; Y98-F304 AromaticContact CE2-CE2 3.58Å; Y98-F304 HydrophobicContact CE2-CE2 3.58Å; Y98-F304 AromaticContact CE2-CG 3.35Å; Y98-F304 HydrophobicContact CE2-CG 3.35Å; Y98-F304 AromaticContact CE2-CZ 3.29Å; Y98-F304 HydrophobicContact CE2-CZ 3.29Å; Y98-F304 AromaticContact CG-CD2 3.52Å; Y98-F304 HydrophobicContact CG-CD2 3.52Å; Y98-F304 HydrophobicContact CG-CE1 4.26Å; Y98-F304 AromaticContact CG-CE2 3.18Å; Y98-F304 HydrophobicContact CG-CE2 3.18Å; Y98-F304 HydrophobicContact CG-CG 4.15Å; Y98-F304 AromaticContact CG-CZ 3.56Å; Y98-F304 HydrophobicContact CG-CZ 3.56Å; Y98-F304 AromaticContact CZ-CD1 3.64Å; Y98-F304 AromaticContact CZ-CE1 3.07Å; Y98-F304 AromaticContact CZ-CE2 3.85Å; Y98-F304 AromaticContact CZ-CZ 3.15Å; Y98-F304 VanDerWaalsContact OH-CE1 3.26Å; Y98-F304 WeakPolarHBondContact OH-CE1 3.38Å |
| 99 | V | 80.4 | Confident | 79.3 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 4% | 0.036 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -57.9 | -19.2 | -178.7 | -58.7 | 0 | 0 | 0 | 0 | 113.4 | N54 L55 F58 C96 C97 T102 P106 | N54-V99 HydrophobicContact CB-CG1 3.55Å; N54-V99 WeakPolarHBondContact O-CG1 3.48Å; L55-V99 HydrophobicContact CB-CG1 4.46Å; L55-V99 HydrophobicContact CD1-CB 4.38Å; F58-V99 HydrophobicContact CB-CG2 4.35Å; F58-V99 HydrophobicContact CD2-CG2 4.27Å; F58-V99 HydrophobicContact CG-CG2 4.13Å; C96-V99 WeakPolarHBondContact O-CG1 3.35Å; C96-V99 WeakPolarHBondContact O-CG2 3.47Å; C96-V99 PolarHBondContact O-N 3.17Å; C97-V99 PolarHBondContact O-N 2.95Å; V99-T102 PolarHBondContact O-OG1 3Å; V99-P106 HydrophobicContact CG2-CG 4.18Å; V99-P106 VanDerWaalsContact O-CD 3.23Å; V99-P106 WeakPolarHBondContact O-CD 3.35Å |
| 100 | W | 81.4 | Confident | 79.3 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -84.5 | -15.5 | 177.6 | -61.5 | -13 | 0 | 0 | 0 | 114.4 | F58 Y98 P106 L116 L120 L143 L146 | F58-W100 HydrophobicContact CE2-CZ2 4.22Å; F58-W100 HydrophobicContact CZ-CZ2 4.2Å; F58-W100 AromaticContact CZ-NE1 3.97Å; Y98-W100 PolarHBondContact O-N 3.23Å; W100-P106 VanDerWaalsContact CD1-CG 3.42Å; W100-L116 HydrophobicContact CZ2-CD2 4.32Å; W100-L120 HydrophobicContact CH2-CD1 3.53Å; W100-L120 HydrophobicContact CH2-CD2 3.96Å; W100-L120 HydrophobicContact CH2-CG 4.39Å; W100-L120 HydrophobicContact CZ2-CD1 4.12Å; W100-L120 HydrophobicContact CZ2-CD2 4.45Å; W100-L143 HydrophobicContact CH2-CD2 4.1Å; W100-L143 HydrophobicContact CZ3-CD2 3.77Å; W100-L146 HydrophobicContact CB-CD1 4.15Å; W100-L146 HydrophobicContact CD2-CD1 3.88Å; W100-L146 HydrophobicContact CD2-CD2 3.85Å; W100-L146 HydrophobicContact CD2-CG 4.3Å; W100-L146 HydrophobicContact CE3-CB 3.57Å; W100-L146 HydrophobicContact CE3-CD1 3.46Å; W100-L146 VanDerWaalsContact CE3-CD1 3.46Å; W100-L146 HydrophobicContact CE3-CD2 3.25Å; W100-L146 HydrophobicContact CE3-CG 3.52Å; W100-L146 HydrophobicContact CG-CD1 4.23Å; W100-L146 HydrophobicContact CH2-CD2 3.26Å; W100-L146 HydrophobicContact CH2-CG 4.34Å; W100-L146 HydrophobicContact CZ2-CD2 3.9Å; W100-L146 HydrophobicContact CZ3-CB 3.5Å; W100-L146 VanDerWaalsContact CZ3-CB 3.5Å; W100-L146 HydrophobicContact CZ3-CD1 4.04Å; W100-L146 HydrophobicContact CZ3-CD2 2.93Å; W100-L146 HydrophobicContact CZ3-CG 3.55Å |
| 101 | F | 81.5 | Confident | 79.5 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -109.2 | 18 | -175.5 | -57.5 | -83.1 | 0 | 0 | 0 | 112.8 | Y98 C142 L145 A305 D306 I309 F313 | Y98-F101 PolarHBondContact O-N 3.32Å; F101-C142 HydrophobicContact CE2-CB 3.75Å; F101-C142 HydrophobicContact CZ-CB 4.46Å; F101-C142 WeakPolarHBondContact CZ-O 3.44Å; F101-L145 HydrophobicContact CE1-CB 3.74Å; F101-L145 HydrophobicContact CE1-CD1 4.14Å; F101-L145 HydrophobicContact CZ-CB 3.68Å; F101-L145 HydrophobicContact CZ-CD1 4.48Å; F101-A305 HydrophobicContact CB-CB 3.78Å; F101-A305 WeakPolarHBondContact O-CA 3.35Å; F101-D306 PolarHBondContact O-N 3.26Å; F101-D306 VanDerWaalsContact O-N 3.14Å; F101-I309 HydrophobicContact CD1-CG2 3.98Å; F101-F313 HydrophobicContact CD1-CD2 4.43Å; F101-F313 AromaticContact CD1-CE2 3.89Å; F101-F313 HydrophobicContact CD1-CE2 3.89Å; F101-F313 HydrophobicContact CE1-CD2 4.2Å; F101-F313 AromaticContact CE1-CE2 3.52Å; F101-F313 HydrophobicContact CE1-CE2 3.52Å; F101-F313 AromaticContact CE1-CZ 3.99Å; F101-F313 HydrophobicContact CE1-CZ 3.99Å |
| 102 | T | 76.2 | Confident | 79.6 | Confident | 58 Ų | 58 | 59.9 Ų | 59.9 | 36% | 0.356 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -89.3 | 167.3 | 172.6 | 62.8 | 0 | 0 | 0 | 0 | 110.8 | V99 H104 I309 | V99-T102 PolarHBondContact O-OG1 3Å; T102-H104 PolarHBondContact O-N 3.43Å; T102-H104 VanDerWaalsContact O-N 3.08Å; T102-H104 PolarHBondContact OG1-O 2.96Å; T102-I309 WeakPolarHBondContact O-CD1 3.18Å |
| 103 | E | 68.6 | Low | 79.6 | Confident | 145 Ų | 145 | 60 Ų | 60 | 68% | 0.678 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -54.3 | -25.9 | 173.8 | -80 | -179.3 | -175.9 | 0 | 0 | 113.2 | D306 | E103-D306 WeakPolarHBondContact CG-OD2 3.07Š|
| 104 | H | 71.8 | Confident | 79.7 | Confident | 156 Ų | 156 | 61 Ų | 61 | 72% | 0.722 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -133 | 83.3 | -175.4 | -60.8 | -30.5 | 0 | 0 | 0 | 110.7 | T102 | T102-H104 PolarHBondContact O-N 3.43Å; T102-H104 VanDerWaalsContact O-N 3.08Å; T102-H104 PolarHBondContact OG1-O 2.96Å |
| 105 | P | 75.8 | Confident | 80.1 | Confident | 41 Ų | 41 | 59.9 Ų | 59.9 | 27% | 0.266 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 154.7 | -179.8 | 33.8 | -38.7 | 0 | 0 | 0 | 111.3 | Y107 W149 Y159 | P105-Y107 PolarHBondContact O-N 3.34Å; P105-W149 HydrophobicContact CG-CH2 4.33Å; P105-Y159 HydrophobicContact CB-CE2 4.41Å; P105-Y159 WeakPolarHBondContact CB-OH 3.43Å; P105-Y159 HydrophobicContact CG-CE2 4.05Å; P105-Y159 PolarHBondContact O-OH 2.95Å |
| 106 | P | 78.9 | Confident | 80.5 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 126 | -173.7 | 19.1 | -31.7 | 0 | 0 | 0 | 113.4 | L55 F59 V99 W100 I108 Y159 | L55-P106 HydrophobicContact CD1-CB 3.65Å; L55-P106 HydrophobicContact CD1-CG 4.26Å; F59-P106 HydrophobicContact CE2-CB 4.14Å; F59-P106 HydrophobicContact CZ-CB 3.89Å; V99-P106 HydrophobicContact CG2-CG 4.18Å; V99-P106 VanDerWaalsContact O-CD 3.23Å; V99-P106 WeakPolarHBondContact O-CD 3.35Å; W100-P106 VanDerWaalsContact CD1-CG 3.42Å; P106-I108 PolarHBondContact O-N 3.33Å; P106-Y159 VanDerWaalsContact C-OH 3.24Å; P106-Y159 PolarHBondContact O-OH 2.8Å |
| 107 | Y | 79.5 | Confident | 80.9 | Confident | 189 Ų | 189 | 56.7 Ų | 56.7 | 74% | 0.741 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 121.9 | 168.5 | -178.6 | -98 | 0 | 0 | 0 | 110.8 | P105 | P105-Y107 PolarHBondContact O-N 3.34Š|
| 108 | I | 81.4 | Confident | 81 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | trans | -119.2 | 120.5 | 177.7 | -64.4 | 157.3 | 0 | 0 | 0 | 107.9 | W62 P106 I113 L116 P158 Y159 I162 | W62-I108 HydrophobicContact CH2-CG2 4.4Å; P106-I108 PolarHBondContact O-N 3.33Å; I108-I113 HydrophobicContact CG2-CG1 3.99Å; I108-L116 HydrophobicContact CD1-CD2 3.55Å; I108-L116 HydrophobicContact CG1-CD2 4.42Å; I108-L116 HydrophobicContact CG2-CD2 4.42Å; I108-P158 WeakPolarHBondContact O-CB 3.42Å; I108-Y159 HydrophobicContact CD1-CE1 4.27Å; I108-I162 HydrophobicContact CB-CD1 4.39Å; I108-I162 HydrophobicContact CD1-CD1 3.6Å; I108-I162 HydrophobicContact CG2-CD1 4.28Å | ||
| 109 | D | 80.2 | Confident | 81.3 | Confident | 61 Ų | 61 | 59.5 Ų | 59.5 | 33% | 0.326 | 29% | 0.293 | S | S | . | . | trans | -66.1 | 136.3 | 171.6 | -173.5 | -20.3 | 0 | 0 | 0 | 109.5 | R111 N112 | D109-R111 PolarHBondContact O-N 3.21Å; D109-R111 PolarHBondContact OD1-N 3.39Å; D109-R111 VanDerWaalsContact OD1-N 3.08Å; D109-N112 PolarHBondContact O-N 3.48Å | ||
| 110 | N | 80.6 | Confident | 81.7 | Confident | 66 Ų | 66 | 59.3 Ų | 59.3 | 35% | 0.353 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -49.7 | -30.9 | 176.2 | -71.7 | -4.9 | 0 | 0 | 0 | 112.6 | N112 I113 P158 | N110-N112 VanDerWaalsContact C-N 3.28Å; N110-N112 PolarHBondContact O-N 2.96Å; N110-I113 HydrophobicContact CB-CD1 4.34Å; N110-I113 PolarHBondContact O-N 3.03Å; N110-P158 WeakPolarHBondContact OD1-CB 3.39Å |
| 111 | R | 82.7 | Confident | 82.1 | Confident | 214 Ų | 214 | 60.5 Ų | 60.5 | 81% | 0.808 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -65 | -28.1 | 177.2 | -63.5 | 176.4 | -176.4 | -178.4 | 3.3 | 114 | D109 | D109-R111 PolarHBondContact O-N 3.21Å; D109-R111 PolarHBondContact OD1-N 3.39Å; D109-R111 VanDerWaalsContact OD1-N 3.08Å |
| 112 | N | 83.7 | Confident | 82.3 | Confident | 77 Ų | 77 | 62 Ų | 62 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -95.4 | -5 | -176.7 | -62.5 | -21.7 | 0 | 0 | 0 | 112.4 | W62 D109 N110 S114 S115 L116 | W62-N112 HydrophobicContact CH2-CB 3.69Å; W62-N112 HydrophobicContact CZ2-CB 3.95Å; W62-N112 WeakPolarHBondContact CZ2-O 3.43Å; D109-N112 PolarHBondContact O-N 3.48Å; N110-N112 VanDerWaalsContact C-N 3.28Å; N110-N112 PolarHBondContact O-N 2.96Å; N112-S114 VanDerWaalsContact C-N 3.32Å; N112-S114 PolarHBondContact O-N 3.17Å; N112-S115 PolarHBondContact O-N 2.57Å; N112-S115 PolarHBondContact O-OG 2.89Å; N112-L116 PolarHBondContact O-N 3.34Å |
| 113 | I | 83.9 | Confident | 82.9 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.4 | -42.4 | -176.9 | -66 | 177.4 | 0 | 0 | 0 | 111.1 | I108 N110 S115 L116 I117 P158 I161 I162 | I108-I113 HydrophobicContact CG2-CG1 3.99Å; N110-I113 HydrophobicContact CB-CD1 4.34Å; N110-I113 PolarHBondContact O-N 3.03Å; I113-S115 VanDerWaalsContact C-N 3.34Å; I113-S115 PolarHBondContact O-N 2.9Å; I113-L116 WeakPolarHBondContact O-CB 3.29Å; I113-L116 PolarHBondContact O-N 3.12Å; I113-I117 HydrophobicContact CG2-CG1 3.99Å; I113-I117 VanDerWaalsContact O-CG1 3.28Å; I113-I117 WeakPolarHBondContact O-CG1 3.46Å; I113-I117 PolarHBondContact O-N 3.47Å; I113-P158 HydrophobicContact CD1-CB 3.99Å; I113-I161 HydrophobicContact CD1-CB 3.88Å; I113-I161 HydrophobicContact CD1-CD1 4.14Å; I113-I161 HydrophobicContact CD1-CG2 3.92Å; I113-I161 HydrophobicContact CG2-CG2 3.93Å; I113-I162 HydrophobicContact CB-CG1 4.46Å; I113-I162 HydrophobicContact CD1-CG1 4.21Å; I113-I162 HydrophobicContact CG1-CD1 4.42Å; I113-I162 HydrophobicContact CG1-CG1 4.03Å; I113-I162 HydrophobicContact CG2-CG1 3.79Å |
| 114 | S | 83.8 | Confident | 83.8 | Confident | 96 Ų | 96 | 52.3 Ų | 52.3 | 67% | 0.671 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61.8 | -39.3 | -179.9 | -55.4 | 0 | 0 | 0 | 0 | 113.1 | N112 L118 | N112-S114 VanDerWaalsContact C-N 3.32Å; N112-S114 PolarHBondContact O-N 3.17Å; S114-L118 WeakPolarHBondContact O-CB 3.39Å; S114-L118 PolarHBondContact O-N 3.02Å; S114-L118 VanDerWaalsContact O-N 3.14Å |
| 115 | S | 85.2 | Confident | 84.4 | Confident | 34 Ų | 34 | 47.1 Ų | 47.1 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73 | -33.1 | 177 | 63.1 | 0 | 0 | 0 | 0 | 112 | W62 N112 I113 F119 | W62-S115 WeakPolarHBondContact CZ2-OG 3.37Å; W62-S115 PolarHBondContact NE1-O 3.32Å; N112-S115 PolarHBondContact O-N 2.57Å; N112-S115 PolarHBondContact O-OG 2.89Å; I113-S115 VanDerWaalsContact C-N 3.34Å; I113-S115 PolarHBondContact O-N 2.9Å; S115-F119 PolarHBondContact O-N 3.01Å; S115-F119 VanDerWaalsContact O-N 3.11Å |
| 116 | L | 87.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.1 | -49.7 | 172.7 | -178.8 | 58 | 0 | 0 | 0 | 111.6 | F58 W62 W100 I108 N112 I113 L118 F119 L120 I162 | F58-L116 HydrophobicContact CE2-CD1 4.26Å; F58-L116 HydrophobicContact CZ-CD1 3.62Å; W62-L116 HydrophobicContact CD2-CD1 4.03Å; W62-L116 HydrophobicContact CE3-CD1 4.34Å; W62-L116 HydrophobicContact CG-CD1 4.43Å; W62-L116 HydrophobicContact CH2-CB 3.99Å; W62-L116 HydrophobicContact CZ2-CB 3.46Å; W62-L116 VanDerWaalsContact CZ2-CB 3.46Å; W62-L116 HydrophobicContact CZ2-CD1 4.25Å; W62-L116 HydrophobicContact CZ2-CG 4.34Å; W100-L116 HydrophobicContact CZ2-CD2 4.32Å; I108-L116 HydrophobicContact CD1-CD2 3.55Å; I108-L116 HydrophobicContact CG1-CD2 4.42Å; I108-L116 HydrophobicContact CG2-CD2 4.42Å; N112-L116 PolarHBondContact O-N 3.34Å; I113-L116 WeakPolarHBondContact O-CB 3.29Å; I113-L116 PolarHBondContact O-N 3.12Å; L116-L118 VanDerWaalsContact C-N 3.28Å; L116-L118 PolarHBondContact O-N 3.33Å; L116-F119 HydrophobicContact CD1-CD1 4.33Å; L116-F119 WeakPolarHBondContact O-CB 3.35Å; L116-F119 PolarHBondContact O-N 2.94Å; L116-F119 VanDerWaalsContact O-N 3.16Å; L116-L120 HydrophobicContact CD1-CD1 4.01Å; L116-L120 HydrophobicContact CD1-CD2 4.5Å; L116-L120 HydrophobicContact CD1-CG 4.09Å; L116-L120 HydrophobicContact CD2-CD1 4.48Å; L116-L120 HydrophobicContact CG-CD1 3.79Å; L116-L120 HydrophobicContact CG-CG 4.32Å; L116-L120 VanDerWaalsContact O-CG 3.25Å; L116-L120 WeakPolarHBondContact O-CG 3.43Å; L116-L120 PolarHBondContact O-N 3.01Å; L116-I162 HydrophobicContact CD2-CD1 4Å; L116-I162 HydrophobicContact CD2-CG1 4.41Å |
| 117 | I | 89.3 | Confident | 85.1 | Confident | 9 Ų | 9 | 46 Ų | 46 | 5% | 0.046 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.9 | -41.6 | -179.6 | -68.2 | -64.5 | 0 | 0 | 0 | 110.9 | I113 L120 E121 I162 E165 L166 V169 | I113-I117 HydrophobicContact CG2-CG1 3.99Å; I113-I117 VanDerWaalsContact O-CG1 3.28Å; I113-I117 WeakPolarHBondContact O-CG1 3.46Å; I113-I117 PolarHBondContact O-N 3.47Å; I117-L120 PolarHBondContact O-N 2.84Å; I117-E121 VanDerWaalsContact O-CB 3.28Å; I117-E121 WeakPolarHBondContact O-CB 3.35Å; I117-E121 PolarHBondContact O-N 3.09Å; I117-I162 HydrophobicContact CD1-CG2 3.87Å; I117-E165 HydrophobicContact CB-CB 4.48Å; I117-E165 HydrophobicContact CD1-CB 3.54Å; I117-E165 HydrophobicContact CG1-CB 3.62Å; I117-E165 HydrophobicContact CG1-CG 4.29Å; I117-E165 HydrophobicContact CG2-CB 4.13Å; I117-L166 HydrophobicContact CD1-CD2 4.09Å; I117-L166 HydrophobicContact CD1-CG 3.75Å; I117-V169 HydrophobicContact CG2-CG2 3.83Å |
| 118 | L | 86.3 | Confident | 85.1 | Confident | 76 Ų | 76 | 37.6 Ų | 37.6 | 40% | 0.398 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 176.1 | -174 | 63.4 | 0 | 0 | 0 | 112 | V70 S114 L116 E121 T122 | V70-L118 HydrophobicContact CG1-CD1 4.43Å; V70-L118 HydrophobicContact CG2-CD2 3.62Å; V70-L118 HydrophobicContact CG2-CG 4.35Å; S114-L118 WeakPolarHBondContact O-CB 3.39Å; S114-L118 PolarHBondContact O-N 3.02Å; S114-L118 VanDerWaalsContact O-N 3.14Å; L116-L118 VanDerWaalsContact C-N 3.28Å; L116-L118 PolarHBondContact O-N 3.33Å; L118-E121 PolarHBondContact O-N 3.38Å; L118-T122 WeakPolarHBondContact O-CG2 3.3Å; L118-T122 PolarHBondContact O-N 3.17Å; L118-T122 PolarHBondContact O-OG1 3.36Å |
| 119 | F | 87.7 | Confident | 85 | Confident | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.9 | -47.9 | 174.3 | 167 | -106.1 | 0 | 0 | 0 | 111.6 | W62 F65 F88 F91 S115 L116 T122 F123 | W62-F119 AromaticContact CD1-CG 4Å; F65-F119 HydrophobicContact CB-CD2 3.72Å; F65-F119 HydrophobicContact CB-CE2 4.18Å; F65-F119 HydrophobicContact CD1-CD2 4.04Å; F65-F119 HydrophobicContact CD1-CE2 4.23Å; F65-F119 AromaticContact CD2-CD2 3.88Å; F65-F119 HydrophobicContact CD2-CD2 3.88Å; F65-F119 AromaticContact CD2-CE2 3.44Å; F65-F119 HydrophobicContact CD2-CE2 3.44Å; F65-F119 VanDerWaalsContact CD2-CE2 3.44Å; F65-F119 AromaticContact CE2-CE2 3.78Å; F65-F119 HydrophobicContact CE2-CE2 3.78Å; F65-F119 AromaticContact CG-CD2 3.61Å; F65-F119 HydrophobicContact CG-CD2 3.61Å; F65-F119 AromaticContact CG-CE2 3.69Å; F65-F119 HydrophobicContact CG-CE2 3.69Å; F65-F119 HydrophobicContact CZ-CE2 4.31Å; F88-F119 HydrophobicContact CD1-CE2 4.32Å; F88-F119 HydrophobicContact CE1-CD2 4.18Å; F88-F119 AromaticContact CE1-CE2 3.66Å; F88-F119 HydrophobicContact CE1-CE2 3.66Å; F88-F119 HydrophobicContact CE1-CZ 4.36Å; F91-F119 HydrophobicContact CD2-CE1 4.26Å; F91-F119 AromaticContact CD2-CZ 3.77Å; F91-F119 HydrophobicContact CD2-CZ 3.77Å; F91-F119 HydrophobicContact CE1-CE1 4.36Å; F91-F119 HydrophobicContact CE1-CZ 4.41Å; F91-F119 AromaticContact CE2-CE1 3.62Å; F91-F119 HydrophobicContact CE2-CE1 3.62Å; F91-F119 AromaticContact CE2-CZ 3.61Å; F91-F119 HydrophobicContact CE2-CZ 3.61Å; F91-F119 HydrophobicContact CG-CZ 4.24Å; F91-F119 AromaticContact CZ-CE1 3.69Å; F91-F119 HydrophobicContact CZ-CE1 3.69Å; F91-F119 AromaticContact CZ-CZ 3.97Å; F91-F119 HydrophobicContact CZ-CZ 3.97Å; S115-F119 PolarHBondContact O-N 3.01Å; S115-F119 VanDerWaalsContact O-N 3.11Å; L116-F119 HydrophobicContact CD1-CD1 4.33Å; L116-F119 WeakPolarHBondContact O-CB 3.35Å; L116-F119 PolarHBondContact O-N 2.94Å; L116-F119 VanDerWaalsContact O-N 3.16Å; F119-T122 PolarHBondContact O-N 2.98Å; F119-T122 PolarHBondContact O-OG1 3.48Å; F119-F123 WeakPolarHBondContact O-CB 3.25Å; F119-F123 PolarHBondContact O-N 3.11Å |
| 120 | L | 89.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | 179.9 | -62.6 | 168.1 | 0 | 0 | 0 | 112.5 | W100 L116 I117 F123 I124 L143 L166 | W100-L120 HydrophobicContact CH2-CD1 3.53Å; W100-L120 HydrophobicContact CH2-CD2 3.96Å; W100-L120 HydrophobicContact CH2-CG 4.39Å; W100-L120 HydrophobicContact CZ2-CD1 4.12Å; W100-L120 HydrophobicContact CZ2-CD2 4.45Å; L116-L120 HydrophobicContact CD1-CD1 4.01Å; L116-L120 HydrophobicContact CD1-CD2 4.5Å; L116-L120 HydrophobicContact CD1-CG 4.09Å; L116-L120 HydrophobicContact CD2-CD1 4.48Å; L116-L120 HydrophobicContact CG-CD1 3.79Å; L116-L120 HydrophobicContact CG-CG 4.32Å; L116-L120 VanDerWaalsContact O-CG 3.25Å; L116-L120 WeakPolarHBondContact O-CG 3.43Å; L116-L120 PolarHBondContact O-N 3.01Å; I117-L120 PolarHBondContact O-N 2.84Å; L120-F123 PolarHBondContact O-N 2.9Å; L120-I124 VanDerWaalsContact O-CG1 3.25Å; L120-I124 WeakPolarHBondContact O-CG1 3.42Å; L120-I124 PolarHBondContact O-N 3.47Å; L120-L143 HydrophobicContact CD2-CD2 3.81Å; L120-L166 HydrophobicContact CB-CD2 4.06Å; L120-L166 HydrophobicContact CD1-CD1 4.33Å; L120-L166 HydrophobicContact CD1-CD2 4Å; L120-L166 HydrophobicContact CD1-CG 4.48Å |
| 121 | E | 89.2 | Confident | 84.2 | Confident | 26 Ų | 26 | 45.1 Ų | 45.1 | 12% | 0.121 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.4 | -49.7 | 174.5 | 178.8 | 169.2 | -170.4 | 0 | 0 | 110.4 | I117 L118 F123 I124 E125 V169 R172 | I117-E121 VanDerWaalsContact O-CB 3.28Å; I117-E121 WeakPolarHBondContact O-CB 3.35Å; I117-E121 PolarHBondContact O-N 3.09Å; L118-E121 PolarHBondContact O-N 3.38Å; E121-F123 VanDerWaalsContact C-N 3.27Å; E121-F123 PolarHBondContact O-N 3.13Å; E121-I124 PolarHBondContact O-N 3.15Å; E121-E125 WeakPolarHBondContact O-CG 3.31Å; E121-E125 PolarHBondContact O-N 3Å; E121-V169 HydrophobicContact CB-CG1 3.93Å; E121-V169 HydrophobicContact CB-CG2 4.12Å; E121-V169 HydrophobicContact CG-CG1 3.87Å; E121-V169 HydrophobicContact CG-CG2 4.36Å; E121-R172 IonicContact OE1-CZ 3.21Å; E121-R172 IonicContact OE1-NH1 2.74Å; E121-R172 PolarHBondContact OE1-NH1 3.28Å; E121-R172 IonicContact OE1-NH2 3.36Å; E121-R172 PolarHBondContact OE1-NH2 3.29Å; E121-R172 IonicContact OE2-CZ 3.34Å; E121-R172 IonicContact OE2-NH1 3.14Å; E121-R172 PolarHBondContact OE2-NH1 3.02Å; E121-R172 VanDerWaalsContact OE2-NH1 3.14Å; E121-R172 IonicContact OE2-NH2 3.73Å; E121-R172 PolarHBondContact OE2-NH2 3.34Å |
| 122 | T | 85.6 | Confident | 83.6 | Confident | 33 Ų | 33 | 35.6 Ų | 35.6 | 20% | 0.202 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.7 | -33.6 | 176.8 | 58.8 | 0 | 0 | 0 | 0 | 113 | V70 L118 F119 H126 | V70-T122 HydrophobicContact CG1-CG2 4.08Å; L118-T122 WeakPolarHBondContact O-CG2 3.3Å; L118-T122 PolarHBondContact O-N 3.17Å; L118-T122 PolarHBondContact O-OG1 3.36Å; F119-T122 PolarHBondContact O-N 2.98Å; F119-T122 PolarHBondContact O-OG1 3.48Å; T122-H126 WeakPolarHBondContact O-CB 3.44Å; T122-H126 PolarHBondContact O-N 3.46Å |
| 123 | F | 88.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.7 | -44.3 | 175.1 | 178.9 | -124.8 | 0 | 0 | 0 | 112.2 | F88 F91 F119 L120 E121 E125 H126 I127 Y136 A139 L143 | F88-F123 HydrophobicContact CB-CD2 3.83Å; F88-F123 HydrophobicContact CB-CE2 3.97Å; F88-F123 HydrophobicContact CD1-CB 4Å; F88-F123 AromaticContact CD1-CD2 3.32Å; F88-F123 HydrophobicContact CD1-CD2 3.32Å; F88-F123 HydrophobicContact CD1-CE2 4.15Å; F88-F123 HydrophobicContact CD1-CG 4.03Å; F88-F123 HydrophobicContact CE1-CB 3.66Å; F88-F123 AromaticContact CE1-CD2 3.92Å; F88-F123 HydrophobicContact CE1-CD2 3.92Å; F88-F123 HydrophobicContact CE1-CG 4.2Å; F88-F123 AromaticContact CG-CD2 3.69Å; F88-F123 HydrophobicContact CG-CD2 3.69Å; F88-F123 HydrophobicContact CG-CE2 4.33Å; F88-F123 HydrophobicContact CZ-CB 4.2Å; F91-F123 HydrophobicContact CD1-CD1 4.14Å; F91-F123 HydrophobicContact CD1-CD2 4.31Å; F91-F123 AromaticContact CD1-CE1 3.71Å; F91-F123 HydrophobicContact CD1-CE1 3.71Å; F91-F123 AromaticContact CD1-CE2 3.89Å; F91-F123 HydrophobicContact CD1-CE2 3.89Å; F91-F123 HydrophobicContact CD1-CG 4.41Å; F91-F123 AromaticContact CD1-CZ 3.57Å; F91-F123 HydrophobicContact CD1-CZ 3.57Å; F91-F123 AromaticContact CE1-CD1 3.9Å; F91-F123 HydrophobicContact CE1-CD1 3.9Å; F91-F123 AromaticContact CE1-CE1 3.63Å; F91-F123 HydrophobicContact CE1-CE1 3.63Å; F91-F123 HydrophobicContact CE1-CG 4.48Å; F91-F123 AromaticContact CE1-CZ 4Å; F91-F123 HydrophobicContact CE1-CZ 4Å; F119-F123 WeakPolarHBondContact O-CB 3.25Å; F119-F123 PolarHBondContact O-N 3.11Å; L120-F123 PolarHBondContact O-N 2.9Å; E121-F123 VanDerWaalsContact C-N 3.27Å; E121-F123 PolarHBondContact O-N 3.13Å; F123-E125 VanDerWaalsContact C-N 3.32Å; F123-E125 PolarHBondContact O-N 2.9Å; F123-H126 WeakPolarHBondContact O-CB 3.47Å; F123-H126 PolarHBondContact O-N 2.96Å; F123-I127 HydrophobicContact CD1-CD1 4.01Å; F123-I127 HydrophobicContact CD2-CD1 4.42Å; F123-I127 HydrophobicContact CD2-CG1 4.44Å; F123-I127 HydrophobicContact CE1-CD1 3.58Å; F123-I127 HydrophobicContact CE2-CD1 4.06Å; F123-I127 HydrophobicContact CE2-CG1 4.15Å; F123-I127 HydrophobicContact CG-CD1 4.42Å; F123-I127 HydrophobicContact CZ-CD1 3.62Å; F123-I127 HydrophobicContact CZ-CG1 4.19Å; F123-I127 WeakPolarHBondContact O-CG1 3.47Å; F123-I127 PolarHBondContact O-N 3.22Å; F123-Y136 HydrophobicContact CE2-CD1 4.42Å; F123-Y136 HydrophobicContact CE2-CE1 4.31Å; F123-Y136 HydrophobicContact CZ-CD1 4.47Å; F123-A139 HydrophobicContact CE1-CB 3.97Å; F123-A139 HydrophobicContact CZ-CB 4.01Å; F123-L143 HydrophobicContact CD1-CD1 3.91Å; F123-L143 HydrophobicContact CE1-CD1 4.12Å |
| 124 | I | 87.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -41 | 176 | -64.2 | 163.9 | 0 | 0 | 0 | 110.5 | L120 E121 H126 I127 F128 L140 L143 L166 V169 L173 | L120-I124 VanDerWaalsContact O-CG1 3.25Å; L120-I124 WeakPolarHBondContact O-CG1 3.42Å; L120-I124 PolarHBondContact O-N 3.47Å; E121-I124 PolarHBondContact O-N 3.15Å; I124-H126 VanDerWaalsContact C-N 3.33Å; I124-H126 PolarHBondContact O-N 3.33Å; I124-I127 WeakPolarHBondContact O-CB 3.46Å; I124-I127 PolarHBondContact O-N 3Å; I124-F128 HydrophobicContact CG2-CD2 3.81Å; I124-F128 HydrophobicContact CG2-CE2 3.41Å; I124-F128 VanDerWaalsContact CG2-CE2 3.41Å; I124-F128 HydrophobicContact CG2-CZ 4.32Å; I124-F128 VanDerWaalsContact O-CD2 3.31Å; I124-F128 WeakPolarHBondContact O-CD2 3.44Å; I124-F128 PolarHBondContact O-N 3.15Å; I124-F128 VanDerWaalsContact O-N 3.14Å; I124-L140 HydrophobicContact CG1-CD1 4.44Å; I124-L140 HydrophobicContact CG2-CD1 4.12Å; I124-L143 HydrophobicContact CD1-CD1 4.05Å; I124-L143 HydrophobicContact CG1-CD1 3.57Å; I124-L166 HydrophobicContact CD1-CD2 4.49Å; I124-V169 HydrophobicContact CD1-CG1 4.16Å; I124-L173 HydrophobicContact CB-CD1 4.07Å; I124-L173 HydrophobicContact CG2-CD1 3.42Å; I124-L173 VanDerWaalsContact CG2-CD1 3.42Å |
| 125 | E | 84.4 | Confident | 82.8 | Confident | 46 Ų | 46 | 36.1 Ų | 36.1 | 22% | 0.215 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 174.9 | -72.6 | -175.4 | 171.8 | 0 | 0 | 112.2 | E121 F123 F128 Q129 L173 R176 | E121-E125 WeakPolarHBondContact O-CG 3.31Å; E121-E125 PolarHBondContact O-N 3Å; F123-E125 VanDerWaalsContact C-N 3.32Å; F123-E125 PolarHBondContact O-N 2.9Å; E125-F128 PolarHBondContact O-N 3.23Å; E125-Q129 WeakPolarHBondContact O-CG 3.39Å; E125-Q129 PolarHBondContact O-N 3.39Å; E125-L173 HydrophobicContact CG-CD2 3.61Å; E125-R176 IonicContact OE1-CZ 3.97Å; E125-R176 IonicContact OE1-NH1 3.47Å; E125-R176 PolarHBondContact OE1-NH1 2.86Å; E125-R176 IonicContact OE2-NH1 2.79Å; E125-R176 PolarHBondContact OE2-NH1 3.39Å |
| 126 | H | 84.9 | Confident | 82.8 | Confident | 22 Ų | 22 | 35 Ų | 35 | 10% | 0.102 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -44.8 | 175.3 | 178.4 | 61.6 | 0 | 0 | 0 | 111.9 | R85 F88 T122 F123 I124 F128 Q129 S130 | R85-H126 VanDerWaalsContact CG-CE1 3.47Å; R85-H126 WeakPolarHBondContact CG-CE1 3.28Å; F88-H126 HydrophobicContact CD2-CB 3.75Å; F88-H126 AromaticContact CD2-CD2 3.7Å; F88-H126 AromaticContact CD2-CG 3.61Å; F88-H126 HydrophobicContact CE2-CB 3.98Å; F88-H126 AromaticContact CG-CD2 3.98Å; T122-H126 WeakPolarHBondContact O-CB 3.44Å; T122-H126 PolarHBondContact O-N 3.46Å; F123-H126 WeakPolarHBondContact O-CB 3.47Å; F123-H126 PolarHBondContact O-N 2.96Å; I124-H126 VanDerWaalsContact C-N 3.33Å; I124-H126 PolarHBondContact O-N 3.33Å; H126-F128 VanDerWaalsContact C-N 3.34Å; H126-F128 PolarHBondContact O-N 3.39Å; H126-Q129 PolarHBondContact O-N 3.04Å; H126-Q129 VanDerWaalsContact O-N 3.09Å; H126-S130 WeakPolarHBondContact O-CB 3.4Å; H126-S130 PolarHBondContact O-N 2.97Å; H126-S130 PolarHBondContact O-OG 3.31Å |
| 127 | I | 84.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -53 | -51.2 | 176.3 | -75.4 | 175.4 | 0 | 0 | 0 | 110 | F123 I124 Q129 S130 L132 Y136 L140 | F123-I127 HydrophobicContact CD1-CD1 4.01Å; F123-I127 HydrophobicContact CD2-CD1 4.42Å; F123-I127 HydrophobicContact CD2-CG1 4.44Å; F123-I127 HydrophobicContact CE1-CD1 3.58Å; F123-I127 HydrophobicContact CE2-CD1 4.06Å; F123-I127 HydrophobicContact CE2-CG1 4.15Å; F123-I127 HydrophobicContact CG-CD1 4.42Å; F123-I127 HydrophobicContact CZ-CD1 3.62Å; F123-I127 HydrophobicContact CZ-CG1 4.19Å; F123-I127 WeakPolarHBondContact O-CG1 3.47Å; F123-I127 PolarHBondContact O-N 3.22Å; I124-I127 WeakPolarHBondContact O-CB 3.46Å; I124-I127 PolarHBondContact O-N 3Å; I127-Q129 PolarHBondContact O-N 3.14Å; I127-S130 PolarHBondContact O-N 3.3Å; I127-S130 VanDerWaalsContact O-N 3.16Å; I127-S130 PolarHBondContact O-OG 3.06Å; I127-L132 HydrophobicContact CB-CD2 4.28Å; I127-L132 HydrophobicContact CG2-CD2 3.26Å; I127-L132 VanDerWaalsContact O-CD2 3.25Å; I127-L132 WeakPolarHBondContact O-CD2 3.43Å; I127-Y136 HydrophobicContact CD1-CD1 4.34Å; I127-Y136 HydrophobicContact CG1-CD1 3.78Å; I127-Y136 HydrophobicContact CG1-CE1 4.48Å; I127-Y136 HydrophobicContact CG1-CG 4.33Å; I127-L140 HydrophobicContact CD1-CD1 4.38Å; I127-L140 HydrophobicContact CG2-CD1 4.27Å |
| 128 | F | 80.5 | Confident | 82.3 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 5% | 0.053 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.5 | -11.3 | -179.1 | -69.5 | -49.8 | 0 | 0 | 0 | 115.7 | I124 E125 H126 L140 W170 L173 I177 I184 F198 | I124-F128 HydrophobicContact CG2-CD2 3.81Å; I124-F128 HydrophobicContact CG2-CE2 3.41Å; I124-F128 VanDerWaalsContact CG2-CE2 3.41Å; I124-F128 HydrophobicContact CG2-CZ 4.32Å; I124-F128 VanDerWaalsContact O-CD2 3.31Å; I124-F128 WeakPolarHBondContact O-CD2 3.44Å; I124-F128 PolarHBondContact O-N 3.15Å; I124-F128 VanDerWaalsContact O-N 3.14Å; E125-F128 PolarHBondContact O-N 3.23Å; H126-F128 VanDerWaalsContact C-N 3.34Å; H126-F128 PolarHBondContact O-N 3.39Å; F128-L140 HydrophobicContact CE1-CD2 4.25Å; F128-L140 HydrophobicContact CZ-CD1 4.4Å; F128-L140 HydrophobicContact CZ-CD2 4.2Å; F128-W170 HydrophobicContact CE2-CZ3 4.13Å; F128-W170 HydrophobicContact CZ-CH2 4.22Å; F128-W170 AromaticContact CZ-CZ3 3.82Å; F128-W170 HydrophobicContact CZ-CZ3 3.82Å; F128-L173 HydrophobicContact CE2-CD1 4.49Å; F128-I177 HydrophobicContact CD2-CG1 4.28Å; F128-I177 HydrophobicContact CE1-CG1 4.44Å; F128-I177 HydrophobicContact CE2-CD1 3.9Å; F128-I177 HydrophobicContact CE2-CG1 3.87Å; F128-I177 HydrophobicContact CZ-CD1 3.9Å; F128-I177 HydrophobicContact CZ-CG1 3.97Å; F128-I184 HydrophobicContact CD1-CD1 3.54Å; F128-I184 HydrophobicContact CD1-CG1 3.97Å; F128-I184 HydrophobicContact CE1-CD1 3.98Å; F128-I184 HydrophobicContact CE1-CG1 4.49Å; F128-I184 HydrophobicContact CE1-CG2 4.38Å; F128-I184 HydrophobicContact CG-CD1 4.23Å; F128-F198 HydrophobicContact CZ-CE2 4.38Å |
| 129 | Q | 78 | Confident | 82.3 | Confident | 136 Ų | 136 | 33.1 Ų | 33.1 | 64% | 0.636 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -98.8 | -16.4 | 174.1 | -67.8 | 176.2 | 7.3 | 0 | 0 | 113.1 | E125 H126 I127 | E125-Q129 WeakPolarHBondContact O-CG 3.39Å; E125-Q129 PolarHBondContact O-N 3.39Å; H126-Q129 PolarHBondContact O-N 3.04Å; H126-Q129 VanDerWaalsContact O-N 3.09Å; I127-Q129 PolarHBondContact O-N 3.14Å |
| 130 | S | 73.5 | Confident | 82.3 | Confident | 19 Ų | 19 | 32.9 Ų | 32.9 | 13% | 0.133 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -91 | 162.5 | -176.1 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | H126 I127 L132 Q187 | H126-S130 WeakPolarHBondContact O-CB 3.4Å; H126-S130 PolarHBondContact O-N 2.97Å; H126-S130 PolarHBondContact O-OG 3.31Å; I127-S130 PolarHBondContact O-N 3.3Å; I127-S130 VanDerWaalsContact O-N 3.16Å; I127-S130 PolarHBondContact O-OG 3.06Å; S130-L132 PolarHBondContact O-N 3.39Å; S130-Q187 PolarHBondContact O-NE2 3.4Å |
| 131 | N | 71.4 | Confident | 82.2 | Confident | 135 Ų | 135 | 32.9 Ų | 32.9 | 72% | 0.722 | 17% | 0.167 | S | C | * | . | trans | -73.1 | 110.5 | 163.9 | -80.5 | -19.5 | 0 | 0 | 0 | 108.2 | E133 Q187 | N131-E133 PolarHBondContact O-N 3.09Å; N131-Q187 PolarHBondContact OD1-NE2 3.4Å | ||
| 132 | L | 70.3 | Confident | 82.2 | Confident | 14 Ų | 14 | 31.7 Ų | 31.7 | 7% | 0.073 | 16% | 0.161 | C | C | . | . | trans | -69.6 | 99.2 | -173.4 | -65.5 | 167.2 | 0 | 0 | 0 | 111.9 | I127 S130 M137 Q187 F188 | I127-L132 HydrophobicContact CB-CD2 4.28Å; I127-L132 HydrophobicContact CG2-CD2 3.26Å; I127-L132 VanDerWaalsContact O-CD2 3.25Å; I127-L132 WeakPolarHBondContact O-CD2 3.43Å; S130-L132 PolarHBondContact O-N 3.39Å; L132-M137 HydrophobicContact CB-CE 3.29Å; L132-M137 HydrophobicContact CD1-CE 3.25Å; L132-M137 HydrophobicContact CD2-CE 4.23Å; L132-M137 HydrophobicContact CG-CE 3.72Å; L132-Q187 HydrophobicContact CB-CB 4.21Å; L132-Q187 HydrophobicContact CD1-CB 4.09Å; L132-F188 HydrophobicContact CD1-CD2 4.37Å; L132-F188 HydrophobicContact CD1-CE2 4.02Å | ||
| 133 | E | 75 | Confident | 82.4 | Confident | 103 Ų | 103 | 30.1 Ų | 30.1 | 48% | 0.481 | 15% | 0.152 | S | C | . | . | trans | -74.7 | 163.9 | 163.1 | -66.3 | -174.1 | -157.1 | 0 | 0 | 111.4 | N131 H135 Y136 M137 | N131-E133 PolarHBondContact O-N 3.09Å; E133-H135 VanDerWaalsContact CB-CE1 3.41Å; E133-H135 WeakPolarHBondContact CB-CE1 3.43Å; E133-H135 PolarHBondContact O-N 3.15Å; E133-H135 VanDerWaalsContact O-N 3.13Å; E133-H135 IonicContact OE2-CE1 2.76Å; E133-H135 PolarHBondContact OE2-CE1 3.41Å; E133-H135 IonicContact OE2-ND1 3.39Å; E133-Y136 HydrophobicContact CB-CD2 4.32Å; E133-Y136 PolarHBondContact O-N 3.31Å; E133-M137 PolarHBondContact O-N 2.85Å | ||
| 134 | V | 78.2 | Confident | 82.5 | Confident | 61 Ų | 61 | 30.1 Ų | 30.1 | 37% | 0.37 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -48.9 | -43.4 | -177.4 | -173.8 | 0 | 0 | 0 | 0 | 112.6 | Y136 M137 E138 Y191 | V134-Y136 VanDerWaalsContact C-N 3.26Å; V134-Y136 PolarHBondContact O-N 3.19Å; V134-M137 WeakPolarHBondContact O-CB 3.34Å; V134-M137 PolarHBondContact O-N 3.5Å; V134-M137 VanDerWaalsContact O-N 3.07Å; V134-E138 PolarHBondContact O-N 3.24Å; V134-E138 VanDerWaalsContact O-N 3.08Å; V134-Y191 HydrophobicContact CB-CE1 4.42Å; V134-Y191 HydrophobicContact CG1-CE1 4.49Å; V134-Y191 HydrophobicContact CG2-CE1 3.58Å; V134-Y191 WeakPolarHBondContact CG2-OH 3.26Å |
| 135 | H | 81.6 | Confident | 82.6 | Confident | 25 Ų | 25 | 30.1 Ų | 30.1 | 12% | 0.116 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.1 | -32.6 | -176.1 | 54.8 | -102.4 | 0 | 0 | 0 | 112.7 | S92 E133 A139 | S92-H135 PolarHBondContact OG-CD2 3.1Å; S92-H135 PolarHBondContact OG-O 3.29Å; E133-H135 VanDerWaalsContact CB-CE1 3.41Å; E133-H135 WeakPolarHBondContact CB-CE1 3.43Å; E133-H135 PolarHBondContact O-N 3.15Å; E133-H135 VanDerWaalsContact O-N 3.13Å; E133-H135 IonicContact OE2-CE1 2.76Å; E133-H135 PolarHBondContact OE2-CE1 3.41Å; E133-H135 IonicContact OE2-ND1 3.39Å; H135-A139 WeakPolarHBondContact O-CB 3.25Å; H135-A139 PolarHBondContact O-N 3Å; H135-A139 VanDerWaalsContact O-N 3.08Å |
| 136 | Y | 85.4 | Confident | 82.8 | Confident | 12 Ų | 12 | 28 Ų | 28 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -72.1 | -33.8 | 175.4 | -67.9 | -57.6 | 0 | 0 | 0 | 112 | Q89 S92 F123 I127 E133 V134 A139 L140 | Q89-Y136 VanDerWaalsContact CA-OH 3.28Å; Q89-Y136 WeakPolarHBondContact CA-OH 3.37Å; Q89-Y136 WeakPolarHBondContact CB-OH 3.46Å; S92-Y136 WeakPolarHBondContact OG-CD1 3.25Å; S92-Y136 PolarHBondContact OG-N 3.43Å; F123-Y136 HydrophobicContact CE2-CD1 4.42Å; F123-Y136 HydrophobicContact CE2-CE1 4.31Å; F123-Y136 HydrophobicContact CZ-CD1 4.47Å; I127-Y136 HydrophobicContact CD1-CD1 4.34Å; I127-Y136 HydrophobicContact CG1-CD1 3.78Å; I127-Y136 HydrophobicContact CG1-CE1 4.48Å; I127-Y136 HydrophobicContact CG1-CG 4.33Å; E133-Y136 HydrophobicContact CB-CD2 4.32Å; E133-Y136 PolarHBondContact O-N 3.31Å; V134-Y136 VanDerWaalsContact C-N 3.26Å; V134-Y136 PolarHBondContact O-N 3.19Å; Y136-A139 PolarHBondContact O-N 2.98Å; Y136-L140 WeakPolarHBondContact O-CB 3.41Å; Y136-L140 PolarHBondContact O-N 3.22Å |
| 137 | M | 81.7 | Confident | 83 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.8 | -43 | 175.8 | -67.4 | -75.7 | 160.2 | 0 | 0 | 111.9 | L132 E133 V134 L140 S141 Q187 F188 Y191 H194 | L132-M137 HydrophobicContact CB-CE 3.29Å; L132-M137 HydrophobicContact CD1-CE 3.25Å; L132-M137 HydrophobicContact CD2-CE 4.23Å; L132-M137 HydrophobicContact CG-CE 3.72Å; E133-M137 PolarHBondContact O-N 2.85Å; V134-M137 WeakPolarHBondContact O-CB 3.34Å; V134-M137 PolarHBondContact O-N 3.5Å; V134-M137 VanDerWaalsContact O-N 3.07Å; M137-L140 PolarHBondContact O-N 3.38Å; M137-S141 WeakPolarHBondContact O-CB 3.44Å; M137-S141 PolarHBondContact O-N 3.13Å; M137-S141 PolarHBondContact O-OG 3.05Å; M137-Q187 HydrophobicContact CE-CB 4.36Å; M137-F188 HydrophobicContact CE-CD1 4.15Å; M137-F188 HydrophobicContact CE-CD2 3.64Å; M137-F188 HydrophobicContact CE-CE1 4.14Å; M137-F188 HydrophobicContact CE-CE2 3.59Å; M137-F188 HydrophobicContact CE-CG 3.91Å; M137-F188 HydrophobicContact CE-CZ 3.84Å; M137-F188 HydrophobicContact SD-CD1 3.51Å; M137-F188 VanDerWaalsContact SD-CD1 3.51Å; M137-F188 HydrophobicContact SD-CD2 4.03Å; M137-F188 HydrophobicContact SD-CE1 3.24Å; M137-F188 WeakPolarHBondContact SD-CE1 3.29Å; M137-F188 HydrophobicContact SD-CE2 3.78Å; M137-F188 HydrophobicContact SD-CG 3.91Å; M137-F188 HydrophobicContact SD-CZ 3.35Å; M137-F188 WeakPolarHBondContact SD-CZ 3.33Å; M137-Y191 HydrophobicContact CG-CD2 3.89Å; M137-Y191 HydrophobicContact CG-CE2 4.43Å; M137-Y191 HydrophobicContact CG-CG 4.34Å; M137-Y191 HydrophobicContact SD-CD2 4.46Å; M137-H194 HydrophobicContact CB-CB 4.14Å; M137-H194 PolarHBondContact O-ND1 3.34Å; M137-H194 HydrophobicContact SD-CB 4.43Å |
| 138 | E | 83.6 | Confident | 83.1 | Confident | 39 Ų | 39 | 27 Ų | 27 | 18% | 0.182 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.3 | -46.8 | 173.3 | -69.3 | 180 | -176.3 | 0 | 0 | 111.3 | K95 Y98 V134 L140 S141 C142 | K95-E138 WeakPolarHBondContact CE-OE2 3.48Å; K95-E138 IonicContact NZ-OE2 3.8Å; Y98-E138 PolarHBondContact OH-OE2 3.16Å; V134-E138 PolarHBondContact O-N 3.24Å; V134-E138 VanDerWaalsContact O-N 3.08Å; E138-L140 PolarHBondContact O-N 3.25Å; E138-S141 WeakPolarHBondContact O-CB 3.37Å; E138-S141 PolarHBondContact O-N 3.24Å; E138-C142 PolarHBondContact O-N 2.86Å; E138-C142 PolarHBondContact O-SG 3.26Å |
| 139 | A | 86.9 | Confident | 83.3 | Confident | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.033 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | F123 H135 Y136 S141 C142 L143 | F123-A139 HydrophobicContact CE1-CB 3.97Å; F123-A139 HydrophobicContact CZ-CB 4.01Å; H135-A139 WeakPolarHBondContact O-CB 3.25Å; H135-A139 PolarHBondContact O-N 3Å; H135-A139 VanDerWaalsContact O-N 3.08Å; Y136-A139 PolarHBondContact O-N 2.98Å; A139-S141 VanDerWaalsContact C-N 3.32Å; A139-S141 PolarHBondContact O-N 3.48Å; A139-C142 WeakPolarHBondContact O-CB 3.24Å; A139-C142 PolarHBondContact O-N 3.04Å; A139-L143 WeakPolarHBondContact O-CG 3.42Å; A139-L143 PolarHBondContact O-N 3.41Å |
| 140 | L | 87.9 | Confident | 83.3 | Confident | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 177 | -161.9 | 73 | 0 | 0 | 0 | 112 | I124 I127 F128 Y136 M137 E138 C142 L143 I144 W170 F188 | I124-L140 HydrophobicContact CG1-CD1 4.44Å; I124-L140 HydrophobicContact CG2-CD1 4.12Å; I127-L140 HydrophobicContact CD1-CD1 4.38Å; I127-L140 HydrophobicContact CG2-CD1 4.27Å; F128-L140 HydrophobicContact CE1-CD2 4.25Å; F128-L140 HydrophobicContact CZ-CD1 4.4Å; F128-L140 HydrophobicContact CZ-CD2 4.2Å; Y136-L140 WeakPolarHBondContact O-CB 3.41Å; Y136-L140 PolarHBondContact O-N 3.22Å; M137-L140 PolarHBondContact O-N 3.38Å; E138-L140 PolarHBondContact O-N 3.25Å; L140-C142 VanDerWaalsContact C-N 3.33Å; L140-C142 PolarHBondContact O-N 3.25Å; L140-L143 PolarHBondContact O-N 2.9Å; L140-L143 VanDerWaalsContact O-N 3.17Å; L140-I144 HydrophobicContact CG-CD1 4.48Å; L140-I144 WeakPolarHBondContact O-CG1 3.33Å; L140-I144 PolarHBondContact O-N 3.02Å; L140-W170 HydrophobicContact CD1-CH2 3.47Å; L140-W170 VanDerWaalsContact CD1-CH2 3.47Å; L140-W170 HydrophobicContact CD1-CZ2 3.9Å; L140-W170 HydrophobicContact CD2-CH2 4Å; L140-W170 HydrophobicContact CG-CH2 3.73Å; L140-W170 HydrophobicContact CG-CZ2 4.22Å; L140-F188 HydrophobicContact CD2-CE2 4.28Å; L140-F188 HydrophobicContact CD2-CZ 3.54Å |
| 141 | S | 87.8 | Confident | 83.3 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.1 | -40 | 176.7 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | M137 E138 A139 L143 I144 L145 H194 | M137-S141 WeakPolarHBondContact O-CB 3.44Å; M137-S141 PolarHBondContact O-N 3.13Å; M137-S141 PolarHBondContact O-OG 3.05Å; E138-S141 WeakPolarHBondContact O-CB 3.37Å; E138-S141 PolarHBondContact O-N 3.24Å; A139-S141 VanDerWaalsContact C-N 3.32Å; A139-S141 PolarHBondContact O-N 3.48Å; S141-L143 VanDerWaalsContact C-N 3.34Å; S141-L143 PolarHBondContact O-N 3.3Å; S141-I144 PolarHBondContact O-N 3.48Å; S141-L145 WeakPolarHBondContact O-CG 3.23Å; S141-L145 PolarHBondContact O-N 2.85Å; S141-H194 PolarHBondContact OG-ND1 3.45Å |
| 142 | C | 88.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60 | -43.7 | 172.2 | -66 | 0 | 0 | 0 | 0 | 111.6 | C97 F101 E138 A139 L140 L145 L146 | C97-C142 HydrophobicContact CB-CB 3.63Å; F101-C142 HydrophobicContact CE2-CB 3.75Å; F101-C142 HydrophobicContact CZ-CB 4.46Å; F101-C142 WeakPolarHBondContact CZ-O 3.44Å; E138-C142 PolarHBondContact O-N 2.86Å; E138-C142 PolarHBondContact O-SG 3.26Å; A139-C142 WeakPolarHBondContact O-CB 3.24Å; A139-C142 PolarHBondContact O-N 3.04Å; L140-C142 VanDerWaalsContact C-N 3.33Å; L140-C142 PolarHBondContact O-N 3.25Å; C142-L145 PolarHBondContact O-N 3.36Å; C142-L146 PolarHBondContact O-N 3.25Å |
| 143 | L | 90.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -69.3 | -35.4 | 179.5 | -63.5 | 173 | 0 | 0 | 0 | 112.7 | W100 L120 F123 I124 A139 L140 S141 L146 S147 | W100-L143 HydrophobicContact CH2-CD2 4.1Å; W100-L143 HydrophobicContact CZ3-CD2 3.77Å; L120-L143 HydrophobicContact CD2-CD2 3.81Å; F123-L143 HydrophobicContact CD1-CD1 3.91Å; F123-L143 HydrophobicContact CE1-CD1 4.12Å; I124-L143 HydrophobicContact CD1-CD1 4.05Å; I124-L143 HydrophobicContact CG1-CD1 3.57Å; A139-L143 WeakPolarHBondContact O-CG 3.42Å; A139-L143 PolarHBondContact O-N 3.41Å; L140-L143 PolarHBondContact O-N 2.9Å; L140-L143 VanDerWaalsContact O-N 3.17Å; S141-L143 VanDerWaalsContact C-N 3.34Å; S141-L143 PolarHBondContact O-N 3.3Å; L143-L146 PolarHBondContact O-N 3.19Å; L143-S147 PolarHBondContact O-N 2.89Å |
| 144 | I | 89.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.4 | -49.7 | 171 | -69.4 | 168.4 | 0 | 0 | 0 | 109.6 | L140 S141 L146 S147 W148 W170 F198 N201 | L140-I144 HydrophobicContact CG-CD1 4.48Å; L140-I144 WeakPolarHBondContact O-CG1 3.33Å; L140-I144 PolarHBondContact O-N 3.02Å; S141-I144 PolarHBondContact O-N 3.48Å; I144-L146 VanDerWaalsContact C-N 3.32Å; I144-L146 PolarHBondContact O-N 3.34Å; I144-S147 WeakPolarHBondContact O-CB 3.2Å; I144-S147 PolarHBondContact O-N 3.39Å; I144-S147 VanDerWaalsContact O-N 3.09Å; I144-S147 PolarHBondContact O-OG 3.45Å; I144-W148 HydrophobicContact CG2-CD2 4.39Å; I144-W148 HydrophobicContact CG2-CH2 3.98Å; I144-W148 HydrophobicContact CG2-CZ2 3.44Å; I144-W148 VanDerWaalsContact CG2-CZ2 3.44Å; I144-W148 PolarHBondContact O-N 2.85Å; I144-W170 HydrophobicContact CD1-CH2 4.24Å; I144-W170 HydrophobicContact CD1-CZ2 4.29Å; I144-W170 HydrophobicContact CG1-CH2 3.86Å; I144-W170 HydrophobicContact CG1-CZ2 3.42Å; I144-W170 VanDerWaalsContact CG1-CZ2 3.42Å; I144-F198 HydrophobicContact CD1-CB 4.32Å; I144-F198 HydrophobicContact CD1-CD2 4.4Å; I144-N201 HydrophobicContact CD1-CB 4.48Å; I144-N201 HydrophobicContact CG1-CB 4.46Å; I144-N201 HydrophobicContact CG2-CB 3.85Å |
| 145 | L | 89 | Confident | 81.9 | Confident | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63 | -37.5 | 178.7 | -69.5 | -169.8 | 0 | 0 | 0 | 112.3 | F101 S141 C142 S147 W148 W149 L197 L299 I301 F313 | F101-L145 HydrophobicContact CE1-CB 3.74Å; F101-L145 HydrophobicContact CE1-CD1 4.14Å; F101-L145 HydrophobicContact CZ-CB 3.68Å; F101-L145 HydrophobicContact CZ-CD1 4.48Å; S141-L145 WeakPolarHBondContact O-CG 3.23Å; S141-L145 PolarHBondContact O-N 2.85Å; C142-L145 PolarHBondContact O-N 3.36Å; L145-S147 VanDerWaalsContact C-N 3.28Å; L145-S147 PolarHBondContact O-N 3.15Å; L145-W148 HydrophobicContact CD2-CD2 4.48Å; L145-W148 HydrophobicContact CD2-CE3 3.57Å; L145-W148 HydrophobicContact CD2-CZ3 3.62Å; L145-W148 CarbonylContact O-C 3.6Å; L145-W148 WeakPolarHBondContact O-CA 3.23Å; L145-W148 WeakPolarHBondContact O-CB 3.48Å; L145-W148 PolarHBondContact O-N 3.48Å; L145-W149 PolarHBondContact O-N 3.48Å; L145-L197 HydrophobicContact CD2-CD2 3.89Å; L145-L299 HydrophobicContact CD1-CD1 4.18Å; L145-L299 HydrophobicContact CD1-CD2 4.35Å; L145-L299 HydrophobicContact CD2-CD2 4.03Å; L145-I301 HydrophobicContact CD1-CD1 3.4Å; L145-I301 HydrophobicContact CD1-CG1 4.36Å; L145-I301 HydrophobicContact CG-CD1 4.15Å; L145-F313 HydrophobicContact CB-CD1 4.32Å; L145-F313 HydrophobicContact CB-CE1 4.18Å; L145-F313 HydrophobicContact CB-CZ 4.32Å; L145-F313 HydrophobicContact CD1-CB 4.47Å; L145-F313 HydrophobicContact CD1-CD2 4.38Å; L145-F313 HydrophobicContact CD1-CG 4.3Å; L145-F313 HydrophobicContact CD2-CB 4.25Å; L145-F313 HydrophobicContact CD2-CD1 3.97Å; L145-F313 HydrophobicContact CD2-CG 4.18Å; L145-F313 WeakPolarHBondContact O-CE1 3.36Å; L145-F313 WeakPolarHBondContact O-CZ 3.22Å |
| 146 | L | 88.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.5 | -35.1 | 174.6 | -160.9 | 81.1 | 0 | 0 | 0 | 111.9 | W100 C142 L143 I144 W148 W149 I162 A163 L166 | W100-L146 HydrophobicContact CB-CD1 4.15Å; W100-L146 HydrophobicContact CD2-CD1 3.88Å; W100-L146 HydrophobicContact CD2-CD2 3.85Å; W100-L146 HydrophobicContact CD2-CG 4.3Å; W100-L146 HydrophobicContact CE3-CB 3.57Å; W100-L146 HydrophobicContact CE3-CD1 3.46Å; W100-L146 VanDerWaalsContact CE3-CD1 3.46Å; W100-L146 HydrophobicContact CE3-CD2 3.25Å; W100-L146 HydrophobicContact CE3-CG 3.52Å; W100-L146 HydrophobicContact CG-CD1 4.23Å; W100-L146 HydrophobicContact CH2-CD2 3.26Å; W100-L146 HydrophobicContact CH2-CG 4.34Å; W100-L146 HydrophobicContact CZ2-CD2 3.9Å; W100-L146 HydrophobicContact CZ3-CB 3.5Å; W100-L146 VanDerWaalsContact CZ3-CB 3.5Å; W100-L146 HydrophobicContact CZ3-CD1 4.04Å; W100-L146 HydrophobicContact CZ3-CD2 2.93Å; W100-L146 HydrophobicContact CZ3-CG 3.55Å; C142-L146 PolarHBondContact O-N 3.25Å; L143-L146 PolarHBondContact O-N 3.19Å; I144-L146 VanDerWaalsContact C-N 3.32Å; I144-L146 PolarHBondContact O-N 3.34Å; L146-W148 PolarHBondContact O-N 3Å; L146-W148 VanDerWaalsContact O-N 3.09Å; L146-W149 HydrophobicContact CD1-CB 4.46Å; L146-W149 HydrophobicContact CD1-CD2 4.2Å; L146-W149 HydrophobicContact CD1-CE3 3.58Å; L146-W149 HydrophobicContact CD1-CZ3 4.14Å; L146-W149 VanDerWaalsContact O-CB 3.22Å; L146-W149 WeakPolarHBondContact O-CB 3.45Å; L146-W149 PolarHBondContact O-N 3.3Å; L146-I162 HydrophobicContact CD2-CB 4.38Å; L146-I162 HydrophobicContact CD2-CG2 3.4Å; L146-A163 WeakPolarHBondContact O-CB 3.44Å; L146-L166 HydrophobicContact CB-CD1 4.11Å; L146-L166 HydrophobicContact CD2-CD1 3.65Å; L146-L166 HydrophobicContact CG-CD1 4.23Å |
| 147 | S | 88.7 | Confident | 81 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.7 | -18.2 | 173.2 | 80.1 | 0 | 0 | 0 | 0 | 113.4 | L143 I144 L145 N150 | L143-S147 PolarHBondContact O-N 2.89Å; I144-S147 WeakPolarHBondContact O-CB 3.2Å; I144-S147 PolarHBondContact O-N 3.39Å; I144-S147 VanDerWaalsContact O-N 3.09Å; I144-S147 PolarHBondContact O-OG 3.45Å; L145-S147 VanDerWaalsContact C-N 3.28Å; L145-S147 PolarHBondContact O-N 3.15Å; S147-N150 PolarHBondContact O-OD1 3.38Å |
| 148 | W | 87.2 | Confident | 81 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 6.7 | 176 | -55.4 | -10.4 | 0 | 0 | 0 | 113.1 | I144 L145 L146 N150 I151 A152 L197 I200 N201 H204 F313 V316 R317 L320 | I144-W148 HydrophobicContact CG2-CD2 4.39Å; I144-W148 HydrophobicContact CG2-CH2 3.98Å; I144-W148 HydrophobicContact CG2-CZ2 3.44Å; I144-W148 VanDerWaalsContact CG2-CZ2 3.44Å; I144-W148 PolarHBondContact O-N 2.85Å; L145-W148 HydrophobicContact CD2-CD2 4.48Å; L145-W148 HydrophobicContact CD2-CE3 3.57Å; L145-W148 HydrophobicContact CD2-CZ3 3.62Å; L145-W148 CarbonylContact O-C 3.6Å; L145-W148 WeakPolarHBondContact O-CA 3.23Å; L145-W148 WeakPolarHBondContact O-CB 3.48Å; L145-W148 PolarHBondContact O-N 3.48Å; L146-W148 PolarHBondContact O-N 3Å; L146-W148 VanDerWaalsContact O-N 3.09Å; W148-N150 VanDerWaalsContact C-N 3.31Å; W148-N150 PolarHBondContact O-N 3.32Å; W148-I151 WeakPolarHBondContact O-CA 3.38Å; W148-I151 WeakPolarHBondContact O-CB 3.34Å; W148-I151 PolarHBondContact O-N 3.08Å; W148-A152 PolarHBondContact O-N 3.38Å; W148-L197 HydrophobicContact CH2-CD2 3.52Å; W148-L197 HydrophobicContact CZ3-CD2 3.64Å; W148-I200 HydrophobicContact CH2-CB 3.95Å; W148-I200 HydrophobicContact CH2-CG2 3.49Å; W148-I200 VanDerWaalsContact CH2-CG2 3.49Å; W148-I200 HydrophobicContact CZ2-CB 4.26Å; W148-I200 HydrophobicContact CZ2-CG2 3.78Å; W148-I200 HydrophobicContact CZ3-CG2 4.42Å; W148-N201 HydrophobicContact CZ2-CB 4.07Å; W148-N201 PolarHBondContact NE1-OD1 2.99Å; W148-H204 AromaticContact CD1-ND1 3.85Å; W148-H204 AromaticContact NE1-ND1 3.63Å; W148-F313 HydrophobicContact CB-CD1 4.49Å; W148-F313 HydrophobicContact CB-CE1 4.15Å; W148-V316 HydrophobicContact CB-CG1 4.08Å; W148-V316 HydrophobicContact CD2-CG1 4.44Å; W148-V316 HydrophobicContact CE3-CG1 4.13Å; W148-V316 HydrophobicContact CG-CG1 4.46Å; W148-R317 HydrophobicContact CZ3-CB 4.4Å; W148-L320 HydrophobicContact CD2-CD1 3.75Å; W148-L320 HydrophobicContact CE3-CD1 4.09Å; W148-L320 HydrophobicContact CG-CD1 4.21Å; W148-L320 HydrophobicContact CH2-CD1 4.28Å; W148-L320 HydrophobicContact CZ2-CD1 3.95Å; W148-L320 HydrophobicContact CZ3-CD1 4.34Å |
| 149 | W | 84.7 | Confident | 81 | Confident | 14 Ų | 14 | 23.6 Ų | 23.6 | 5% | 0.053 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.6 | -40.9 | -175.9 | -171.3 | -81 | 0 | 0 | 0 | 112.5 | P105 L145 L146 I151 A152 F153 Y159 A163 F313 | P105-W149 HydrophobicContact CG-CH2 4.33Å; L145-W149 PolarHBondContact O-N 3.48Å; L146-W149 HydrophobicContact CD1-CB 4.46Å; L146-W149 HydrophobicContact CD1-CD2 4.2Å; L146-W149 HydrophobicContact CD1-CE3 3.58Å; L146-W149 HydrophobicContact CD1-CZ3 4.14Å; L146-W149 VanDerWaalsContact O-CB 3.22Å; L146-W149 WeakPolarHBondContact O-CB 3.45Å; L146-W149 PolarHBondContact O-N 3.3Å; W149-I151 PolarHBondContact O-N 2.72Å; W149-A152 PolarHBondContact O-N 2.92Å; W149-F153 AromaticContact CD2-CD2 3.69Å; W149-F153 HydrophobicContact CD2-CD2 3.69Å; W149-F153 HydrophobicContact CD2-CE2 4.32Å; W149-F153 HydrophobicContact CD2-CG 4.45Å; W149-F153 AromaticContact CE2-CD2 3.72Å; W149-F153 AromaticContact CE3-CD2 3.99Å; W149-F153 HydrophobicContact CE3-CD2 3.99Å; W149-F153 HydrophobicContact CE3-CE2 4.15Å; W149-F153 HydrophobicContact CG-CD2 4.1Å; W149-F153 HydrophobicContact CH2-CD2 4.39Å; W149-F153 HydrophobicContact CH2-CE2 4.39Å; W149-F153 HydrophobicContact CZ2-CD2 4.09Å; W149-F153 HydrophobicContact CZ2-CG 4.35Å; W149-F153 HydrophobicContact CZ3-CD2 4.34Å; W149-F153 HydrophobicContact CZ3-CE2 4.2Å; W149-F153 WeakPolarHBondContact O-CA 3.37Å; W149-F153 PolarHBondContact O-N 2.96Å; W149-Y159 HydrophobicContact CD2-CG 4.43Å; W149-Y159 AromaticContact CE2-CG 3.9Å; W149-Y159 AromaticContact CZ2-CD2 3.94Å; W149-Y159 HydrophobicContact CZ2-CD2 3.94Å; W149-Y159 HydrophobicContact CZ2-CE2 4.36Å; W149-Y159 HydrophobicContact CZ2-CG 4.17Å; W149-Y159 VanDerWaalsContact NE1-CB 3.28Å; W149-Y159 AromaticContact NE1-CG 3.88Å; W149-A163 HydrophobicContact CB-CB 3.86Å; W149-F313 HydrophobicContact CE3-CZ 4.03Å |
| 150 | N | 78.9 | Confident | 80.7 | Confident | 39 Ų | 39 | 26.4 Ų | 26.4 | 21% | 0.209 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.2 | -28.7 | 175.1 | 61.4 | -20.3 | 0 | 0 | 0 | 113 | S147 W148 A163 | S147-N150 PolarHBondContact O-OD1 3.38Å; W148-N150 VanDerWaalsContact C-N 3.31Å; W148-N150 PolarHBondContact O-N 3.32Å; N150-A163 HydrophobicContact CB-CB 4.3Å |
| 151 | I | 73.2 | Confident | 80.5 | Confident | 11 Ų | 11 | 29 Ų | 29 | 6% | 0.056 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -79.9 | -43.4 | 174.7 | -47 | 177.9 | 0 | 0 | 0 | 109.9 | W148 W149 L250 V316 Y319 L320 | W148-I151 WeakPolarHBondContact O-CA 3.38Å; W148-I151 WeakPolarHBondContact O-CB 3.34Å; W148-I151 PolarHBondContact O-N 3.08Å; W149-I151 PolarHBondContact O-N 2.72Å; I151-L250 HydrophobicContact CG2-CD2 4.11Å; I151-L250 WeakPolarHBondContact O-CD2 3.13Å; I151-V316 HydrophobicContact CB-CG1 3.89Å; I151-V316 HydrophobicContact CB-CG2 4.22Å; I151-V316 HydrophobicContact CD1-CG1 4.37Å; I151-V316 HydrophobicContact CG2-CB 4.37Å; I151-V316 HydrophobicContact CG2-CG1 3.7Å; I151-V316 HydrophobicContact CG2-CG2 3.87Å; I151-Y319 HydrophobicContact CG2-CD1 4.26Å; I151-Y319 HydrophobicContact CG2-CE1 4.41Å; I151-L320 HydrophobicContact CD1-CD1 4.43Å; I151-L320 HydrophobicContact CD1-CD2 4.02Å |
| 152 | A | 70.3 | Confident | 80.4 | Confident | 12 Ų | 12 | 29 Ų | 29 | 10% | 0.099 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -75.6 | -31.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | W148 W149 R312 F313 V316 | W148-A152 PolarHBondContact O-N 3.38Å; W149-A152 PolarHBondContact O-N 2.92Å; A152-R312 PolarHBondContact O-NH1 3.44Å; A152-F313 HydrophobicContact CB-CD1 3.84Å; A152-F313 HydrophobicContact CB-CE1 3.57Å; A152-F313 HydrophobicContact CB-CG 4.47Å; A152-F313 HydrophobicContact CB-CZ 4.02Å; A152-V316 HydrophobicContact CB-CG2 3.72Å |
| 153 | F | 73.7 | Confident | 80.3 | Confident | 28 Ų | 28 | 29 Ų | 29 | 12% | 0.123 | 15% | 0.151 | C | C | . | . | trans | -139.4 | 120.5 | -169.9 | -57.3 | -82.4 | 0 | 0 | 0 | 111.5 | W149 H155 I309 R312 F313 | W149-F153 AromaticContact CD2-CD2 3.69Å; W149-F153 HydrophobicContact CD2-CD2 3.69Å; W149-F153 HydrophobicContact CD2-CE2 4.32Å; W149-F153 HydrophobicContact CD2-CG 4.45Å; W149-F153 AromaticContact CE2-CD2 3.72Å; W149-F153 AromaticContact CE3-CD2 3.99Å; W149-F153 HydrophobicContact CE3-CD2 3.99Å; W149-F153 HydrophobicContact CE3-CE2 4.15Å; W149-F153 HydrophobicContact CG-CD2 4.1Å; W149-F153 HydrophobicContact CH2-CD2 4.39Å; W149-F153 HydrophobicContact CH2-CE2 4.39Å; W149-F153 HydrophobicContact CZ2-CD2 4.09Å; W149-F153 HydrophobicContact CZ2-CG 4.35Å; W149-F153 HydrophobicContact CZ3-CD2 4.34Å; W149-F153 HydrophobicContact CZ3-CE2 4.2Å; W149-F153 WeakPolarHBondContact O-CA 3.37Å; W149-F153 PolarHBondContact O-N 2.96Å; F153-H155 VanDerWaalsContact C-N 3.3Å; F153-H155 PolarHBondContact O-N 3.28Å; F153-I309 HydrophobicContact CE2-CG2 4.41Å; F153-I309 HydrophobicContact CZ-CB 4.34Å; F153-I309 HydrophobicContact CZ-CG1 4.13Å; F153-I309 HydrophobicContact CZ-CG2 4.08Å; F153-R312 VanDerWaalsContact CD1-NH1 3.28Å; F153-R312 HydrophobicContact CZ-CB 4.28Å; F153-F313 HydrophobicContact CD2-CZ 4.39Å; F153-F313 HydrophobicContact CE2-CD2 4.43Å; F153-F313 AromaticContact CE2-CE2 3.72Å; F153-F313 HydrophobicContact CE2-CE2 3.72Å; F153-F313 AromaticContact CE2-CZ 3.82Å; F153-F313 HydrophobicContact CE2-CZ 3.82Å; F153-F313 HydrophobicContact CZ-CE2 4.48Å | ||
| 154 | G | 59.4 | Low | 80 | Confident | 19 Ų | 19 | 33.8 Ų | 33.8 | 20% | 0.196 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -83.7 | 5.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q160 N253 | G154-Q160 PolarHBondContact O-NE2 3.45Å; G154-N253 WeakPolarHBondContact CA-ND2 3.41Å |
| 155 | H | 63.2 | Low | 79.9 | Confident | 158 Ų | 158 | 37.1 Ų | 37.1 | 73% | 0.731 | 19% | 0.185 | S | C | * | . | trans | -125.7 | 156.4 | -172.8 | -59.8 | -47.8 | 0 | 0 | 0 | 111.4 | F153 | F153-H155 VanDerWaalsContact C-N 3.3Å; F153-H155 PolarHBondContact O-N 3.28Å | ||
| 156 | S | 70.8 | Confident | 79.9 | Confident | 54 Ų | 54 | 37 Ų | 37 | 38% | 0.378 | 19% | 0.185 | S | C | . | . | trans | 71.7 | 93.8 | -169.8 | -167 | 0 | 0 | 0 | 0 | 113.8 | P158 Y159 Q160 | S156-P158 VanDerWaalsContact C-CD 3.42Å; S156-P158 VanDerWaalsContact C-N 3.34Å; S156-P158 WeakPolarHBondContact OG-CD 3.12Å; S156-P158 WeakPolarHBondContact OG-CG 3.31Å; S156-Y159 PolarHBondContact O-N 2.92Å; S156-Y159 VanDerWaalsContact OG-CD2 3.23Å; S156-Y159 WeakPolarHBondContact OG-CD2 3.39Å; S156-Q160 PolarHBondContact O-N 3.42Å | ||
| 157 | E | 76.5 | Confident | 79.8 | Confident | 126 Ų | 126 | 38.5 Ų | 38.5 | 59% | 0.589 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -46.2 | -45.4 | 173.7 | -171.9 | 176.8 | -160.5 | 0 | 0 | 113.9 | Y159 Q160 I161 | E157-Y159 PolarHBondContact O-N 3.5Å; E157-Q160 PolarHBondContact O-N 3.17Å; E157-I161 HydrophobicContact CG-CD1 3.95Å; E157-I161 WeakPolarHBondContact O-CG1 3.3Å; E157-I161 PolarHBondContact O-N 3.07Å |
| 158 | P | 82.2 | Confident | 79.7 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 10% | 0.097 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.6 | -42.1 | -178.6 | 20.2 | -32.1 | 0 | 0 | 0 | 113.1 | I108 N110 I113 S156 Q160 I161 I162 | I108-P158 WeakPolarHBondContact O-CB 3.42Å; N110-P158 WeakPolarHBondContact OD1-CB 3.39Å; I113-P158 HydrophobicContact CD1-CB 3.99Å; S156-P158 VanDerWaalsContact C-CD 3.42Å; S156-P158 VanDerWaalsContact C-N 3.34Å; S156-P158 WeakPolarHBondContact OG-CD 3.12Å; S156-P158 WeakPolarHBondContact OG-CG 3.31Å; P158-Q160 VanDerWaalsContact C-N 3.34Å; P158-Q160 PolarHBondContact O-N 3.14Å; P158-I161 PolarHBondContact O-N 3.31Å; P158-I162 WeakPolarHBondContact O-CD1 3.44Å; P158-I162 WeakPolarHBondContact O-CG1 3.48Å; P158-I162 PolarHBondContact O-N 3.2Å |
| 159 | Y | 83.3 | Confident | 79.7 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 4% | 0.039 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.7 | -29.4 | 178.7 | -64 | -66.5 | 0 | 0 | 0 | 113.1 | P105 P106 I108 W149 S156 E157 I161 I162 A163 | P105-Y159 HydrophobicContact CB-CE2 4.41Å; P105-Y159 WeakPolarHBondContact CB-OH 3.43Å; P105-Y159 HydrophobicContact CG-CE2 4.05Å; P105-Y159 PolarHBondContact O-OH 2.95Å; P106-Y159 VanDerWaalsContact C-OH 3.24Å; P106-Y159 PolarHBondContact O-OH 2.8Å; I108-Y159 HydrophobicContact CD1-CE1 4.27Å; W149-Y159 HydrophobicContact CD2-CG 4.43Å; W149-Y159 AromaticContact CE2-CG 3.9Å; W149-Y159 AromaticContact CZ2-CD2 3.94Å; W149-Y159 HydrophobicContact CZ2-CD2 3.94Å; W149-Y159 HydrophobicContact CZ2-CE2 4.36Å; W149-Y159 HydrophobicContact CZ2-CG 4.17Å; W149-Y159 VanDerWaalsContact NE1-CB 3.28Å; W149-Y159 AromaticContact NE1-CG 3.88Å; S156-Y159 PolarHBondContact O-N 2.92Å; S156-Y159 VanDerWaalsContact OG-CD2 3.23Å; S156-Y159 WeakPolarHBondContact OG-CD2 3.39Å; E157-Y159 PolarHBondContact O-N 3.5Å; Y159-I161 VanDerWaalsContact C-N 3.35Å; Y159-I162 HydrophobicContact CD1-CD1 4.1Å; Y159-I162 PolarHBondContact O-N 3.44Å; Y159-A163 VanDerWaalsContact O-CB 3.22Å; Y159-A163 WeakPolarHBondContact O-CB 3.44Å; Y159-A163 PolarHBondContact O-N 3.2Å |
| 160 | Q | 80.3 | Confident | 79.9 | Confident | 63 Ų | 63 | 40.8 Ų | 40.8 | 29% | 0.294 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.1 | -43.3 | 172.1 | -69 | 178.4 | -9.1 | 0 | 0 | 111.1 | G154 S156 E157 P158 Y164 | G154-Q160 PolarHBondContact O-NE2 3.45Å; S156-Q160 PolarHBondContact O-N 3.42Å; E157-Q160 PolarHBondContact O-N 3.17Å; P158-Q160 VanDerWaalsContact C-N 3.34Å; P158-Q160 PolarHBondContact O-N 3.14Å; Q160-Y164 WeakPolarHBondContact O-CB 3.28Å; Q160-Y164 PolarHBondContact O-N 3.02Å |
| 161 | I | 83.7 | Confident | 80.2 | Confident | 57 Ų | 57 | 40.3 Ų | 40.3 | 29% | 0.292 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.1 | -46.4 | 175.2 | -60.5 | 166.4 | 0 | 0 | 0 | 109.9 | I113 E157 P158 Y159 A163 Y164 E165 | I113-I161 HydrophobicContact CD1-CB 3.88Å; I113-I161 HydrophobicContact CD1-CD1 4.14Å; I113-I161 HydrophobicContact CD1-CG2 3.92Å; I113-I161 HydrophobicContact CG2-CG2 3.93Å; E157-I161 HydrophobicContact CG-CD1 3.95Å; E157-I161 WeakPolarHBondContact O-CG1 3.3Å; E157-I161 PolarHBondContact O-N 3.07Å; P158-I161 PolarHBondContact O-N 3.31Å; Y159-I161 VanDerWaalsContact C-N 3.35Å; I161-A163 VanDerWaalsContact C-N 3.35Å; I161-A163 PolarHBondContact O-N 3.45Å; I161-Y164 PolarHBondContact O-N 3.3Å; I161-E165 HydrophobicContact CG2-CG 4.28Å; I161-E165 WeakPolarHBondContact O-CB 3.33Å; I161-E165 WeakPolarHBondContact O-CG 3.23Å; I161-E165 PolarHBondContact O-N 3.26Å |
| 162 | I | 86.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | 178.7 | -64.3 | 159.5 | 0 | 0 | 0 | 110.9 | I108 I113 L116 I117 L146 P158 Y159 Y164 E165 L166 | I108-I162 HydrophobicContact CB-CD1 4.39Å; I108-I162 HydrophobicContact CD1-CD1 3.6Å; I108-I162 HydrophobicContact CG2-CD1 4.28Å; I113-I162 HydrophobicContact CB-CG1 4.46Å; I113-I162 HydrophobicContact CD1-CG1 4.21Å; I113-I162 HydrophobicContact CG1-CD1 4.42Å; I113-I162 HydrophobicContact CG1-CG1 4.03Å; I113-I162 HydrophobicContact CG2-CG1 3.79Å; L116-I162 HydrophobicContact CD2-CD1 4Å; L116-I162 HydrophobicContact CD2-CG1 4.41Å; I117-I162 HydrophobicContact CD1-CG2 3.87Å; L146-I162 HydrophobicContact CD2-CB 4.38Å; L146-I162 HydrophobicContact CD2-CG2 3.4Å; P158-I162 WeakPolarHBondContact O-CD1 3.44Å; P158-I162 WeakPolarHBondContact O-CG1 3.48Å; P158-I162 PolarHBondContact O-N 3.2Å; Y159-I162 HydrophobicContact CD1-CD1 4.1Å; Y159-I162 PolarHBondContact O-N 3.44Å; I162-Y164 PolarHBondContact O-N 2.99Å; I162-E165 PolarHBondContact O-N 2.74Å; I162-L166 HydrophobicContact CG2-CD1 3.95Å; I162-L166 HydrophobicContact CG2-CG 4.3Å; I162-L166 WeakPolarHBondContact O-CB 3.34Å; I162-L166 WeakPolarHBondContact O-CG 3.21Å; I162-L166 PolarHBondContact O-N 3.44Å |
| 163 | A | 86 | Confident | 81.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -43 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L146 W149 N150 Y159 I161 L166 Y167 | L146-A163 WeakPolarHBondContact O-CB 3.44Å; W149-A163 HydrophobicContact CB-CB 3.86Å; N150-A163 HydrophobicContact CB-CB 4.3Å; Y159-A163 VanDerWaalsContact O-CB 3.22Å; Y159-A163 WeakPolarHBondContact O-CB 3.44Å; Y159-A163 PolarHBondContact O-N 3.2Å; I161-A163 VanDerWaalsContact C-N 3.35Å; I161-A163 PolarHBondContact O-N 3.45Å; A163-L166 PolarHBondContact O-N 2.89Å; A163-Y167 WeakPolarHBondContact O-CB 3.12Å; A163-Y167 PolarHBondContact O-N 3.27Å |
| 164 | Y | 84.8 | Confident | 82.1 | Confident | 101 Ų | 101 | 44.3 Ų | 44.3 | 40% | 0.396 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 176.1 | -178.9 | -98.3 | 0 | 0 | 0 | 112.1 | Q160 I161 I162 Y167 H168 | Q160-Y164 WeakPolarHBondContact O-CB 3.28Å; Q160-Y164 PolarHBondContact O-N 3.02Å; I161-Y164 PolarHBondContact O-N 3.3Å; I162-Y164 PolarHBondContact O-N 2.99Å; Y164-Y167 WeakPolarHBondContact O-CB 3.39Å; Y164-Y167 PolarHBondContact O-N 3.44Å; Y164-H168 AromaticContact CD1-CD2 3.75Å; Y164-H168 AromaticContact CD1-NE2 3.96Å; Y164-H168 AromaticContact CE1-CD2 3.42Å; Y164-H168 VanDerWaalsContact CE1-CD2 3.42Å; Y164-H168 WeakPolarHBondContact CE1-CD2 3.39Å; Y164-H168 AromaticContact CE1-NE2 3.24Å; Y164-H168 WeakPolarHBondContact CE1-NE2 3.42Å; Y164-H168 AromaticContact CE2-NE2 3.52Å; Y164-H168 AromaticContact CZ-CD2 3.68Å; Y164-H168 AromaticContact CZ-NE2 2.99Å; Y164-H168 PolarHBondContact O-CD2 3.24Å; Y164-H168 PolarHBondContact O-N 3.03Å; Y164-H168 VanDerWaalsContact O-N 3.15Å; Y164-H168 PolarHBondContact OH-NE2 3.32Å |
| 165 | E | 86.6 | Confident | 83.1 | Confident | 70 Ų | 70 | 46.8 Ų | 46.8 | 33% | 0.327 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66 | -40.9 | 177.8 | -70.4 | -60.4 | 146.2 | 0 | 0 | 111.8 | I117 I161 I162 Y167 H168 V169 | I117-E165 HydrophobicContact CB-CB 4.48Å; I117-E165 HydrophobicContact CD1-CB 3.54Å; I117-E165 HydrophobicContact CG1-CB 3.62Å; I117-E165 HydrophobicContact CG1-CG 4.29Å; I117-E165 HydrophobicContact CG2-CB 4.13Å; I161-E165 HydrophobicContact CG2-CG 4.28Å; I161-E165 WeakPolarHBondContact O-CB 3.33Å; I161-E165 WeakPolarHBondContact O-CG 3.23Å; I161-E165 PolarHBondContact O-N 3.26Å; I162-E165 PolarHBondContact O-N 2.74Å; E165-Y167 VanDerWaalsContact C-N 3.34Å; E165-Y167 PolarHBondContact O-N 3.33Å; E165-H168 PolarHBondContact O-N 3.32Å; E165-V169 WeakPolarHBondContact O-CG2 3.48Å; E165-V169 PolarHBondContact O-N 3.47Å |
| 166 | L | 89 | Confident | 83.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 174 | -80.1 | 176.8 | 0 | 0 | 0 | 112.4 | I117 L120 I124 L146 I162 A163 H168 V169 W170 | I117-L166 HydrophobicContact CD1-CD2 4.09Å; I117-L166 HydrophobicContact CD1-CG 3.75Å; L120-L166 HydrophobicContact CB-CD2 4.06Å; L120-L166 HydrophobicContact CD1-CD1 4.33Å; L120-L166 HydrophobicContact CD1-CD2 4Å; L120-L166 HydrophobicContact CD1-CG 4.48Å; I124-L166 HydrophobicContact CD1-CD2 4.49Å; L146-L166 HydrophobicContact CB-CD1 4.11Å; L146-L166 HydrophobicContact CD2-CD1 3.65Å; L146-L166 HydrophobicContact CG-CD1 4.23Å; I162-L166 HydrophobicContact CG2-CD1 3.95Å; I162-L166 HydrophobicContact CG2-CG 4.3Å; I162-L166 WeakPolarHBondContact O-CB 3.34Å; I162-L166 WeakPolarHBondContact O-CG 3.21Å; I162-L166 PolarHBondContact O-N 3.44Å; A163-L166 PolarHBondContact O-N 2.89Å; L166-H168 VanDerWaalsContact C-N 3.28Å; L166-H168 PolarHBondContact O-N 3.41Å; L166-V169 WeakPolarHBondContact O-CB 3.39Å; L166-V169 PolarHBondContact O-N 2.95Å; L166-W170 PolarHBondContact O-N 3.48Å |
| 167 | Y | 87.2 | Confident | 84.5 | Confident | 31 Ų | 31 | 42.6 Ų | 42.6 | 12% | 0.122 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -41.3 | 173.5 | 175.8 | -92.5 | 0 | 0 | 0 | 111.5 | A163 Y164 E165 W170 I171 H204 I205 D208 | A163-Y167 WeakPolarHBondContact O-CB 3.12Å; A163-Y167 PolarHBondContact O-N 3.27Å; Y164-Y167 WeakPolarHBondContact O-CB 3.39Å; Y164-Y167 PolarHBondContact O-N 3.44Å; E165-Y167 VanDerWaalsContact C-N 3.34Å; E165-Y167 PolarHBondContact O-N 3.33Å; Y167-W170 WeakPolarHBondContact O-CB 3.44Å; Y167-W170 PolarHBondContact O-N 2.94Å; Y167-I171 HydrophobicContact CD1-CD1 3.79Å; Y167-I171 HydrophobicContact CE1-CD1 3.29Å; Y167-I171 HydrophobicContact CE1-CG1 4.29Å; Y167-I171 PolarHBondContact O-N 3.14Å; Y167-I171 VanDerWaalsContact O-N 3.08Å; Y167-H204 AromaticContact CD2-CE1 3.92Å; Y167-H204 AromaticContact CE2-CE1 3.63Å; Y167-H204 AromaticContact CE2-ND1 3.95Å; Y167-I205 HydrophobicContact CE2-CG1 3.96Å; Y167-D208 WeakPolarHBondContact OH-CB 3.21Å; Y167-D208 PolarHBondContact OH-OD2 3.19Å |
| 168 | H | 85.6 | Confident | 84.7 | Confident | 59 Ų | 59 | 38.6 Ų | 38.6 | 27% | 0.273 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.8 | -34.2 | 173.4 | -75.4 | -62.8 | 0 | 0 | 0 | 113.6 | Y164 E165 L166 W170 I171 R172 | Y164-H168 AromaticContact CD1-CD2 3.75Å; Y164-H168 AromaticContact CD1-NE2 3.96Å; Y164-H168 AromaticContact CE1-CD2 3.42Å; Y164-H168 VanDerWaalsContact CE1-CD2 3.42Å; Y164-H168 WeakPolarHBondContact CE1-CD2 3.39Å; Y164-H168 AromaticContact CE1-NE2 3.24Å; Y164-H168 WeakPolarHBondContact CE1-NE2 3.42Å; Y164-H168 AromaticContact CE2-NE2 3.52Å; Y164-H168 AromaticContact CZ-CD2 3.68Å; Y164-H168 AromaticContact CZ-NE2 2.99Å; Y164-H168 PolarHBondContact O-CD2 3.24Å; Y164-H168 PolarHBondContact O-N 3.03Å; Y164-H168 VanDerWaalsContact O-N 3.15Å; Y164-H168 PolarHBondContact OH-NE2 3.32Å; E165-H168 PolarHBondContact O-N 3.32Å; L166-H168 VanDerWaalsContact C-N 3.28Å; L166-H168 PolarHBondContact O-N 3.41Å; H168-W170 VanDerWaalsContact C-N 3.33Å; H168-I171 PolarHBondContact O-N 3.08Å; H168-R172 WeakPolarHBondContact O-CG 3.46Å; H168-R172 PolarHBondContact O-N 3.21Å |
| 169 | V | 88.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.4 | -47.6 | 169.6 | 171.1 | 0 | 0 | 0 | 0 | 109.9 | I117 E121 I124 E165 L166 I171 R172 L173 | I117-V169 HydrophobicContact CG2-CG2 3.83Å; E121-V169 HydrophobicContact CB-CG1 3.93Å; E121-V169 HydrophobicContact CB-CG2 4.12Å; E121-V169 HydrophobicContact CG-CG1 3.87Å; E121-V169 HydrophobicContact CG-CG2 4.36Å; I124-V169 HydrophobicContact CD1-CG1 4.16Å; E165-V169 WeakPolarHBondContact O-CG2 3.48Å; E165-V169 PolarHBondContact O-N 3.47Å; L166-V169 WeakPolarHBondContact O-CB 3.39Å; L166-V169 PolarHBondContact O-N 2.95Å; V169-I171 VanDerWaalsContact C-N 3.34Å; V169-I171 PolarHBondContact O-N 3.07Å; V169-R172 VanDerWaalsContact CG2-NH2 3.34Å; V169-R172 PolarHBondContact O-N 3.44Å; V169-R172 VanDerWaalsContact O-N 3.15Å; V169-L173 HydrophobicContact CG1-CD1 3.72Å; V169-L173 HydrophobicContact CG1-CG 4.3Å; V169-L173 VanDerWaalsContact O-CG 3.3Å; V169-L173 WeakPolarHBondContact O-CG 3.48Å; V169-L173 PolarHBondContact O-N 2.86Å |
| 170 | W | 88.7 | Confident | 84.4 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 1% | 0.011 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.6 | -44.2 | 176.5 | -78.2 | 112.1 | 0 | 0 | 0 | 112.5 | F128 L140 I144 L166 Y167 H168 L173 I174 I177 F198 I205 | F128-W170 HydrophobicContact CE2-CZ3 4.13Å; F128-W170 HydrophobicContact CZ-CH2 4.22Å; F128-W170 AromaticContact CZ-CZ3 3.82Å; F128-W170 HydrophobicContact CZ-CZ3 3.82Å; L140-W170 HydrophobicContact CD1-CH2 3.47Å; L140-W170 VanDerWaalsContact CD1-CH2 3.47Å; L140-W170 HydrophobicContact CD1-CZ2 3.9Å; L140-W170 HydrophobicContact CD2-CH2 4Å; L140-W170 HydrophobicContact CG-CH2 3.73Å; L140-W170 HydrophobicContact CG-CZ2 4.22Å; I144-W170 HydrophobicContact CD1-CH2 4.24Å; I144-W170 HydrophobicContact CD1-CZ2 4.29Å; I144-W170 HydrophobicContact CG1-CH2 3.86Å; I144-W170 HydrophobicContact CG1-CZ2 3.42Å; I144-W170 VanDerWaalsContact CG1-CZ2 3.42Å; L166-W170 PolarHBondContact O-N 3.48Å; Y167-W170 WeakPolarHBondContact O-CB 3.44Å; Y167-W170 PolarHBondContact O-N 2.94Å; H168-W170 VanDerWaalsContact C-N 3.33Å; W170-L173 PolarHBondContact O-N 3.13Å; W170-I174 WeakPolarHBondContact O-CG1 3.49Å; W170-I174 PolarHBondContact O-N 2.95Å; W170-I177 HydrophobicContact CE3-CD1 4.36Å; W170-I177 HydrophobicContact CZ3-CD1 4.28Å; W170-F198 HydrophobicContact CZ3-CE2 4.22Å; W170-I205 HydrophobicContact CB-CD1 3.94Å |
| 171 | I | 85 | Confident | 84.4 | Confident | 29 Ų | 29 | 44.6 Ų | 44.6 | 15% | 0.149 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.7 | -45.5 | 175.5 | -68.2 | 169.4 | 0 | 0 | 0 | 111.4 | Y167 H168 V169 L173 I174 I205 | Y167-I171 HydrophobicContact CD1-CD1 3.79Å; Y167-I171 HydrophobicContact CE1-CD1 3.29Å; Y167-I171 HydrophobicContact CE1-CG1 4.29Å; Y167-I171 PolarHBondContact O-N 3.14Å; Y167-I171 VanDerWaalsContact O-N 3.08Å; H168-I171 PolarHBondContact O-N 3.08Å; V169-I171 VanDerWaalsContact C-N 3.34Å; V169-I171 PolarHBondContact O-N 3.07Å; I171-L173 VanDerWaalsContact C-N 3.25Å; I171-L173 PolarHBondContact O-N 3.21Å; I171-I174 PolarHBondContact O-N 3.45Å; I171-I205 HydrophobicContact CG1-CG2 3.88Å |
| 172 | R | 85.4 | Confident | 84.2 | Confident | 130 Ų | 130 | 45.2 Ų | 45.2 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.5 | -30.3 | 179.5 | -75.3 | -171.8 | -72.5 | 145.6 | -2 | 112.9 | E121 H168 V169 P175 | E121-R172 IonicContact OE1-CZ 3.21Å; E121-R172 IonicContact OE1-NH1 2.74Å; E121-R172 PolarHBondContact OE1-NH1 3.28Å; E121-R172 IonicContact OE1-NH2 3.36Å; E121-R172 PolarHBondContact OE1-NH2 3.29Å; E121-R172 IonicContact OE2-CZ 3.34Å; E121-R172 IonicContact OE2-NH1 3.14Å; E121-R172 PolarHBondContact OE2-NH1 3.02Å; E121-R172 VanDerWaalsContact OE2-NH1 3.14Å; E121-R172 IonicContact OE2-NH2 3.73Å; E121-R172 PolarHBondContact OE2-NH2 3.34Å; H168-R172 WeakPolarHBondContact O-CG 3.46Å; H168-R172 PolarHBondContact O-N 3.21Å; V169-R172 VanDerWaalsContact CG2-NH2 3.34Å; V169-R172 PolarHBondContact O-N 3.44Å; V169-R172 VanDerWaalsContact O-N 3.15Å; R172-P175 WeakPolarHBondContact O-CD 3.22Å |
| 173 | L | 86.2 | Confident | 83.8 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -83 | -15.9 | -179 | -68.5 | 174 | 0 | 0 | 0 | 114.2 | I124 E125 F128 V169 W170 I171 R176 I177 | I124-L173 HydrophobicContact CB-CD1 4.07Å; I124-L173 HydrophobicContact CG2-CD1 3.42Å; I124-L173 VanDerWaalsContact CG2-CD1 3.42Å; E125-L173 HydrophobicContact CG-CD2 3.61Å; F128-L173 HydrophobicContact CE2-CD1 4.49Å; V169-L173 HydrophobicContact CG1-CD1 3.72Å; V169-L173 HydrophobicContact CG1-CG 4.3Å; V169-L173 VanDerWaalsContact O-CG 3.3Å; V169-L173 WeakPolarHBondContact O-CG 3.48Å; V169-L173 PolarHBondContact O-N 2.86Å; W170-L173 PolarHBondContact O-N 3.13Å; I171-L173 VanDerWaalsContact C-N 3.25Å; I171-L173 PolarHBondContact O-N 3.21Å; L173-R176 PolarHBondContact O-N 3.45Å; L173-I177 HydrophobicContact CB-CD1 4.24Å; L173-I177 WeakPolarHBondContact O-CG1 3.2Å; L173-I177 PolarHBondContact O-N 2.94Å |
| 174 | I | 84.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -49.8 | -47.4 | -178.5 | -75.8 | 169.4 | 0 | 0 | 0 | 113.5 | W170 I171 R176 I177 V178 I205 T273 A276 I277 | W170-I174 WeakPolarHBondContact O-CG1 3.49Å; W170-I174 PolarHBondContact O-N 2.95Å; I171-I174 PolarHBondContact O-N 3.45Å; I174-R176 VanDerWaalsContact C-N 3.31Å; I174-R176 PolarHBondContact O-N 3.33Å; I174-I177 WeakPolarHBondContact O-CB 3.43Å; I174-I177 PolarHBondContact O-N 3.07Å; I174-I177 VanDerWaalsContact O-N 3.14Å; I174-V178 HydrophobicContact CG2-CG2 4.46Å; I174-V178 WeakPolarHBondContact O-CG2 3.08Å; I174-V178 PolarHBondContact O-N 3.12Å; I174-I205 HydrophobicContact CD1-CD1 4.19Å; I174-I205 HydrophobicContact CD1-CG2 3.77Å; I174-T273 HydrophobicContact CB-CG2 4.38Å; I174-T273 HydrophobicContact CD1-CG2 3.41Å; I174-T273 VanDerWaalsContact CD1-CG2 3.41Å; I174-T273 HydrophobicContact CG1-CG2 4.48Å; I174-T273 HydrophobicContact CG2-CG2 4.16Å; I174-A276 HydrophobicContact CG2-CB 3.58Å; I174-I277 HydrophobicContact CD1-CD1 3.85Å; I174-I277 HydrophobicContact CD1-CG1 3.92Å; I174-I277 HydrophobicContact CG2-CG1 4.33Å |
| 175 | P | 81.6 | Confident | 83.3 | Confident | 72 Ų | 72 | 44.3 Ų | 44.3 | 47% | 0.468 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.8 | -42.2 | 178.5 | -26.2 | 35.7 | 0 | 0 | 0 | 113.2 | R172 V178 E179 | R172-P175 WeakPolarHBondContact O-CD 3.22Å; P175-V178 WeakPolarHBondContact O-CB 3.34Å; P175-V178 PolarHBondContact O-N 3.03Å; P175-E179 PolarHBondContact O-N 2.94Å; P175-E179 VanDerWaalsContact O-N 3.15Å |
| 176 | R | 80 | Confident | 82.9 | Confident | 122 Ų | 122 | 45.6 Ų | 45.6 | 46% | 0.46 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.8 | -36.6 | 177.2 | -67.8 | -178.1 | 178.7 | 174.4 | 3.5 | 112.1 | E125 L173 I174 V178 E179 N180 | E125-R176 IonicContact OE1-CZ 3.97Å; E125-R176 IonicContact OE1-NH1 3.47Å; E125-R176 PolarHBondContact OE1-NH1 2.86Å; E125-R176 IonicContact OE2-NH1 2.79Å; E125-R176 PolarHBondContact OE2-NH1 3.39Å; L173-R176 PolarHBondContact O-N 3.45Å; I174-R176 VanDerWaalsContact C-N 3.31Å; I174-R176 PolarHBondContact O-N 3.33Å; R176-V178 VanDerWaalsContact C-N 3.27Å; R176-V178 PolarHBondContact O-N 3.18Å; R176-E179 PolarHBondContact O-N 3.27Å; R176-N180 PolarHBondContact O-N 3.08Å; R176-N180 VanDerWaalsContact O-N 3.1Å |
| 177 | I | 83.3 | Confident | 82.3 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -37.6 | 173.7 | -64.9 | 169.5 | 0 | 0 | 0 | 110.5 | F128 W170 L173 I174 N180 S181 I184 F198 I280 | F128-I177 HydrophobicContact CD2-CG1 4.28Å; F128-I177 HydrophobicContact CE1-CG1 4.44Å; F128-I177 HydrophobicContact CE2-CD1 3.9Å; F128-I177 HydrophobicContact CE2-CG1 3.87Å; F128-I177 HydrophobicContact CZ-CD1 3.9Å; F128-I177 HydrophobicContact CZ-CG1 3.97Å; W170-I177 HydrophobicContact CE3-CD1 4.36Å; W170-I177 HydrophobicContact CZ3-CD1 4.28Å; L173-I177 HydrophobicContact CB-CD1 4.24Å; L173-I177 WeakPolarHBondContact O-CG1 3.2Å; L173-I177 PolarHBondContact O-N 2.94Å; I174-I177 WeakPolarHBondContact O-CB 3.43Å; I174-I177 PolarHBondContact O-N 3.07Å; I174-I177 VanDerWaalsContact O-N 3.14Å; I177-N180 CarbonylContact O-C 3.58Å; I177-S181 WeakPolarHBondContact O-CA 3.15Å; I177-S181 WeakPolarHBondContact O-CB 3.36Å; I177-S181 PolarHBondContact O-N 3.38Å; I177-I184 HydrophobicContact CB-CD1 4.36Å; I177-I184 HydrophobicContact CG1-CD1 4.49Å; I177-I184 HydrophobicContact CG2-CD1 4.04Å; I177-F198 HydrophobicContact CD1-CE2 4.49Å; I177-F198 HydrophobicContact CG2-CZ 3.86Å; I177-I280 HydrophobicContact CB-CD1 4.45Å; I177-I280 HydrophobicContact CG2-CD1 3.71Å |
| 178 | V | 81.2 | Confident | 81.9 | Confident | 42 Ų | 42 | 45.7 Ų | 45.7 | 26% | 0.255 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.6 | -44.9 | 175.5 | 175 | 0 | 0 | 0 | 0 | 111.8 | I174 P175 R176 N180 S181 A276 I280 | I174-V178 HydrophobicContact CG2-CG2 4.46Å; I174-V178 WeakPolarHBondContact O-CG2 3.08Å; I174-V178 PolarHBondContact O-N 3.12Å; P175-V178 WeakPolarHBondContact O-CB 3.34Å; P175-V178 PolarHBondContact O-N 3.03Å; R176-V178 VanDerWaalsContact C-N 3.27Å; R176-V178 PolarHBondContact O-N 3.18Å; V178-N180 VanDerWaalsContact C-N 3.3Å; V178-N180 PolarHBondContact O-N 3.22Å; V178-S181 WeakPolarHBondContact O-CB 3.36Å; V178-S181 PolarHBondContact O-N 2.75Å; V178-A276 HydrophobicContact CG2-CB 3.47Å; V178-A276 VanDerWaalsContact CG2-CB 3.47Å; V178-I280 HydrophobicContact CG2-CD1 3.65Å; V178-I280 HydrophobicContact CG2-CG1 3.95Å |
| 179 | E | 79.9 | Confident | 81.5 | Confident | 150 Ų | 150 | 45.5 Ų | 45.5 | 70% | 0.701 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -58.6 | -42.8 | 178.7 | -72.8 | 175.3 | 177.6 | 0 | 0 | 111.5 | P175 R176 | P175-E179 PolarHBondContact O-N 2.94Å; P175-E179 VanDerWaalsContact O-N 3.15Å; R176-E179 PolarHBondContact O-N 3.27Å |
| 180 | N | 78.9 | Confident | 81 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 33% | 0.332 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 13.1 | 180 | -67.8 | -18.8 | 0 | 0 | 0 | 113.6 | R176 I177 V178 S182 L183 I184 | R176-N180 PolarHBondContact O-N 3.08Å; R176-N180 VanDerWaalsContact O-N 3.1Å; I177-N180 CarbonylContact O-C 3.58Å; V178-N180 VanDerWaalsContact C-N 3.3Å; V178-N180 PolarHBondContact O-N 3.22Å; N180-S182 VanDerWaalsContact C-N 3.26Å; N180-S182 PolarHBondContact O-N 3.45Å; N180-S182 VanDerWaalsContact O-N 3.12Å; N180-L183 PolarHBondContact O-N 2.98Å; N180-L183 VanDerWaalsContact O-N 3.07Å; N180-I184 HydrophobicContact CB-CD1 3.91Å; N180-I184 HydrophobicContact CB-CG1 4.2Å; N180-I184 WeakPolarHBondContact O-CG1 3.35Å; N180-I184 PolarHBondContact O-N 3.42Å |
| 181 | S | 80.2 | Confident | 80.6 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.9 | -31.4 | -164.5 | 90.4 | 0 | 0 | 0 | 0 | 113.4 | I177 V178 I185 K283 | I177-S181 WeakPolarHBondContact O-CA 3.15Å; I177-S181 WeakPolarHBondContact O-CB 3.36Å; I177-S181 PolarHBondContact O-N 3.38Å; V178-S181 WeakPolarHBondContact O-CB 3.36Å; V178-S181 PolarHBondContact O-N 2.75Å; S181-I185 VanDerWaalsContact O-CB 3.23Å; S181-I185 WeakPolarHBondContact O-CB 3.41Å; S181-I185 VanDerWaalsContact O-CD1 3.31Å; S181-I185 WeakPolarHBondContact O-CD1 3.36Å; S181-I185 WeakPolarHBondContact O-CG1 3.47Å; S181-I185 PolarHBondContact O-N 3.4Å; S181-K283 VanDerWaalsContact OG-CD 3.22Å; S181-K283 WeakPolarHBondContact OG-CD 3.24Å; S181-K283 PolarHBondContact OG-NZ 3.31Å |
| 182 | S | 78.9 | Confident | 80.2 | Confident | 70 Ų | 70 | 53.4 Ų | 53.4 | 49% | 0.49 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.5 | -47.1 | 177 | 47.1 | 0 | 0 | 0 | 0 | 111 | N180 I185 D186 | N180-S182 VanDerWaalsContact C-N 3.26Å; N180-S182 PolarHBondContact O-N 3.45Å; N180-S182 VanDerWaalsContact O-N 3.12Å; S182-I185 PolarHBondContact O-N 2.91Å; S182-D186 VanDerWaalsContact O-CB 3.31Å; S182-D186 WeakPolarHBondContact O-CB 3.29Å; S182-D186 PolarHBondContact O-N 3.14Å |
| 183 | L | 79.2 | Confident | 79.8 | Confident | 75 Ų | 75 | 52 Ų | 52 | 39% | 0.393 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 178.7 | -177.8 | 136.6 | 0 | 0 | 0 | 111.2 | N180 Q187 | N180-L183 PolarHBondContact O-N 2.98Å; N180-L183 VanDerWaalsContact O-N 3.07Å; L183-Q187 WeakPolarHBondContact O-CB 3.46Å; L183-Q187 WeakPolarHBondContact O-CG 3.37Å; L183-Q187 PolarHBondContact O-N 3.09Å |
| 184 | I | 79.5 | Confident | 79.8 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.3 | -52.4 | 176.5 | -64.6 | 169.9 | 0 | 0 | 0 | 109.9 | F128 I177 N180 D186 Q187 F188 F198 | F128-I184 HydrophobicContact CD1-CD1 3.54Å; F128-I184 HydrophobicContact CD1-CG1 3.97Å; F128-I184 HydrophobicContact CE1-CD1 3.98Å; F128-I184 HydrophobicContact CE1-CG1 4.49Å; F128-I184 HydrophobicContact CE1-CG2 4.38Å; F128-I184 HydrophobicContact CG-CD1 4.23Å; I177-I184 HydrophobicContact CB-CD1 4.36Å; I177-I184 HydrophobicContact CG1-CD1 4.49Å; I177-I184 HydrophobicContact CG2-CD1 4.04Å; N180-I184 HydrophobicContact CB-CD1 3.91Å; N180-I184 HydrophobicContact CB-CG1 4.2Å; N180-I184 WeakPolarHBondContact O-CG1 3.35Å; N180-I184 PolarHBondContact O-N 3.42Å; I184-D186 VanDerWaalsContact C-N 3.34Å; I184-D186 PolarHBondContact O-N 2.99Å; I184-Q187 PolarHBondContact O-N 3.09Å; I184-F188 HydrophobicContact CG2-CD2 3.53Å; I184-F188 HydrophobicContact CG2-CE2 3.69Å; I184-F188 WeakPolarHBondContact O-CB 3.26Å; I184-F188 VanDerWaalsContact O-CD2 3.26Å; I184-F188 WeakPolarHBondContact O-CD2 3.47Å; I184-F188 PolarHBondContact O-N 3.05Å; I184-F198 HydrophobicContact CG2-CZ 4.5Å |
| 185 | I | 79.1 | Confident | 79.8 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -42.1 | -178.2 | -68.2 | 166.8 | 0 | 0 | 0 | 111.4 | S181 S182 Q187 F188 S189 I280 K283 L284 L287 L289 | S181-I185 VanDerWaalsContact O-CB 3.23Å; S181-I185 WeakPolarHBondContact O-CB 3.41Å; S181-I185 VanDerWaalsContact O-CD1 3.31Å; S181-I185 WeakPolarHBondContact O-CD1 3.36Å; S181-I185 WeakPolarHBondContact O-CG1 3.47Å; S181-I185 PolarHBondContact O-N 3.4Å; S182-I185 PolarHBondContact O-N 2.91Å; I185-Q187 VanDerWaalsContact C-N 3.33Å; I185-Q187 PolarHBondContact O-N 3.44Å; I185-F188 PolarHBondContact O-N 3.18Å; I185-S189 WeakPolarHBondContact O-CB 3.49Å; I185-S189 PolarHBondContact O-N 3.39Å; I185-I280 HydrophobicContact CD1-CG2 4.4Å; I185-K283 HydrophobicContact CD1-CB 3.73Å; I185-K283 HydrophobicContact CD1-CD 4.38Å; I185-L284 HydrophobicContact CD1-CD2 4.18Å; I185-L284 HydrophobicContact CD1-CG 4.12Å; I185-L284 HydrophobicContact CG1-CD2 3.96Å; I185-L284 HydrophobicContact CG1-CG 4.39Å; I185-L284 HydrophobicContact CG2-CD2 4.03Å; I185-L287 HydrophobicContact CG2-CD1 3.55Å; I185-L289 HydrophobicContact CG2-CD1 3.42Å; I185-L289 VanDerWaalsContact CG2-CD1 3.42Å |
| 186 | D | 79 | Confident | 79.9 | Confident | 98 Ų | 98 | 49.9 Ų | 49.9 | 52% | 0.524 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 177.9 | -72.9 | -15.1 | 0 | 0 | 0 | 111.1 | S182 I184 S189 | S182-D186 VanDerWaalsContact O-CB 3.31Å; S182-D186 WeakPolarHBondContact O-CB 3.29Å; S182-D186 PolarHBondContact O-N 3.14Å; I184-D186 VanDerWaalsContact C-N 3.34Å; I184-D186 PolarHBondContact O-N 2.99Å; D186-S189 PolarHBondContact O-N 2.96Å; D186-S189 PolarHBondContact O-OG 3.43Å |
| 187 | Q | 77.2 | Confident | 80.2 | Confident | 30 Ų | 30 | 44.2 Ų | 44.2 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.2 | -43.6 | 176.1 | -72.4 | 171.7 | -13.3 | 0 | 0 | 112.4 | S130 N131 L132 M137 L183 I184 I185 S189 | S130-Q187 PolarHBondContact O-NE2 3.4Å; N131-Q187 PolarHBondContact OD1-NE2 3.4Å; L132-Q187 HydrophobicContact CB-CB 4.21Å; L132-Q187 HydrophobicContact CD1-CB 4.09Å; M137-Q187 HydrophobicContact CE-CB 4.36Å; L183-Q187 WeakPolarHBondContact O-CB 3.46Å; L183-Q187 WeakPolarHBondContact O-CG 3.37Å; L183-Q187 PolarHBondContact O-N 3.09Å; I184-Q187 PolarHBondContact O-N 3.09Å; I185-Q187 VanDerWaalsContact C-N 3.33Å; I185-Q187 PolarHBondContact O-N 3.44Å; Q187-S189 VanDerWaalsContact C-N 3.31Å; Q187-S189 PolarHBondContact O-N 3.49Å |
| 188 | F | 78.1 | Confident | 80.4 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.6 | -26.2 | 177.7 | -91.5 | -88.1 | 0 | 0 | 0 | 113.7 | L132 M137 L140 I184 I185 S190 Y191 H194 L195 F198 | L132-F188 HydrophobicContact CD1-CD2 4.37Å; L132-F188 HydrophobicContact CD1-CE2 4.02Å; M137-F188 HydrophobicContact CE-CD1 4.15Å; M137-F188 HydrophobicContact CE-CD2 3.64Å; M137-F188 HydrophobicContact CE-CE1 4.14Å; M137-F188 HydrophobicContact CE-CE2 3.59Å; M137-F188 HydrophobicContact CE-CG 3.91Å; M137-F188 HydrophobicContact CE-CZ 3.84Å; M137-F188 HydrophobicContact SD-CD1 3.51Å; M137-F188 VanDerWaalsContact SD-CD1 3.51Å; M137-F188 HydrophobicContact SD-CD2 4.03Å; M137-F188 HydrophobicContact SD-CE1 3.24Å; M137-F188 WeakPolarHBondContact SD-CE1 3.29Å; M137-F188 HydrophobicContact SD-CE2 3.78Å; M137-F188 HydrophobicContact SD-CG 3.91Å; M137-F188 HydrophobicContact SD-CZ 3.35Å; M137-F188 WeakPolarHBondContact SD-CZ 3.33Å; L140-F188 HydrophobicContact CD2-CE2 4.28Å; L140-F188 HydrophobicContact CD2-CZ 3.54Å; I184-F188 HydrophobicContact CG2-CD2 3.53Å; I184-F188 HydrophobicContact CG2-CE2 3.69Å; I184-F188 WeakPolarHBondContact O-CB 3.26Å; I184-F188 VanDerWaalsContact O-CD2 3.26Å; I184-F188 WeakPolarHBondContact O-CD2 3.47Å; I184-F188 PolarHBondContact O-N 3.05Å; I185-F188 PolarHBondContact O-N 3.18Å; F188-S190 PolarHBondContact O-N 3.41Å; F188-S190 VanDerWaalsContact O-N 3.11Å; F188-Y191 CarbonylContact O-C 3.47Å; F188-Y191 WeakPolarHBondContact O-CA 3.49Å; F188-Y191 PolarHBondContact O-N 3.48Å; F188-H194 HydrophobicContact CE1-CB 4.24Å; F188-L195 HydrophobicContact CB-CB 4.18Å; F188-L195 HydrophobicContact CB-CD1 3.87Å; F188-L195 HydrophobicContact CB-CD2 4.42Å; F188-L195 HydrophobicContact CB-CG 4.36Å; F188-L195 HydrophobicContact CD1-CB 3.95Å; F188-L195 HydrophobicContact CD1-CD1 4.22Å; F188-L195 HydrophobicContact CG-CD1 4.23Å; F188-F198 HydrophobicContact CE1-CB 4.12Å; F188-F198 HydrophobicContact CE1-CG 4.49Å; F188-F198 HydrophobicContact CZ-CG 4.49Å |
| 189 | S | 76.9 | Confident | 80.6 | Confident | 56 Ų | 56 | 42.4 Ų | 42.4 | 39% | 0.392 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.1 | -179 | 74 | 0 | 0 | 0 | 0 | 113.1 | I185 D186 Q187 Y191 | I185-S189 WeakPolarHBondContact O-CB 3.49Å; I185-S189 PolarHBondContact O-N 3.39Å; D186-S189 PolarHBondContact O-N 2.96Å; D186-S189 PolarHBondContact O-OG 3.43Å; Q187-S189 VanDerWaalsContact C-N 3.31Å; Q187-S189 PolarHBondContact O-N 3.49Å; S189-Y191 VanDerWaalsContact C-N 3.27Å; S189-Y191 PolarHBondContact O-N 3.44Å |
| 190 | S | 78.8 | Confident | 80.9 | Confident | 83 Ų | 83 | 35.2 Ų | 35.2 | 58% | 0.58 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -13.3 | 175.4 | -58.4 | 0 | 0 | 0 | 0 | 113.4 | F188 | F188-S190 PolarHBondContact O-N 3.41Å; F188-S190 VanDerWaalsContact O-N 3.11Å |
| 191 | Y | 80.2 | Confident | 81.4 | Confident | 72 Ų | 72 | 32.3 Ų | 32.3 | 28% | 0.282 | 18% | 0.181 | S | C | . | . | trans | -135 | 71.8 | -170.2 | -60.7 | -64 | 0 | 0 | 0 | 111.5 | V134 M137 F188 S189 E193 H194 L195 | V134-Y191 HydrophobicContact CB-CE1 4.42Å; V134-Y191 HydrophobicContact CG1-CE1 4.49Å; V134-Y191 HydrophobicContact CG2-CE1 3.58Å; V134-Y191 WeakPolarHBondContact CG2-OH 3.26Å; M137-Y191 HydrophobicContact CG-CD2 3.89Å; M137-Y191 HydrophobicContact CG-CE2 4.43Å; M137-Y191 HydrophobicContact CG-CG 4.34Å; M137-Y191 HydrophobicContact SD-CD2 4.46Å; F188-Y191 CarbonylContact O-C 3.47Å; F188-Y191 WeakPolarHBondContact O-CA 3.49Å; F188-Y191 PolarHBondContact O-N 3.48Å; S189-Y191 VanDerWaalsContact C-N 3.27Å; S189-Y191 PolarHBondContact O-N 3.44Å; Y191-E193 VanDerWaalsContact C-N 3.31Å; Y191-E193 PolarHBondContact O-N 3.01Å; Y191-H194 PolarHBondContact O-N 2.61Å; Y191-L195 PolarHBondContact O-N 3Å; Y191-L195 VanDerWaalsContact O-N 3.08Å | ||
| 192 | P | 76.7 | Confident | 81.7 | Confident | 42 Ų | 42 | 32.4 Ų | 32.4 | 27% | 0.273 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.4 | -30 | -168.2 | 25 | -35.3 | 0 | 0 | 0 | 114.6 | L195 N196 C292 | P192-L195 PolarHBondContact O-N 3.39Å; P192-N196 PolarHBondContact O-N 2.88Å; P192-C292 HydrophobicContact CB-CB 4.37Å |
| 193 | E | 77.1 | Confident | 82 | Confident | 102 Ų | 102 | 29.1 Ų | 29.1 | 48% | 0.477 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -66.6 | -41.8 | 178.5 | -62 | 176.1 | -172.8 | 0 | 0 | 112.3 | Y191 N196 P300 | Y191-E193 VanDerWaalsContact C-N 3.31Å; Y191-E193 PolarHBondContact O-N 3.01Å; E193-N196 WeakPolarHBondContact O-CB 3.44Å; E193-N196 PolarHBondContact O-N 3.22Å; E193-P300 HydrophobicContact CB-CB 4.09Å |
| 194 | H | 85.3 | Confident | 82.3 | Confident | 15 Ų | 15 | 26 Ų | 26 | 7% | 0.069 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -73.7 | -35.3 | 176.1 | -61.5 | -69.8 | 0 | 0 | 0 | 111.4 | M137 S141 F188 Y191 N196 L197 F198 P300 | M137-H194 HydrophobicContact CB-CB 4.14Å; M137-H194 PolarHBondContact O-ND1 3.34Å; M137-H194 HydrophobicContact SD-CB 4.43Å; S141-H194 PolarHBondContact OG-ND1 3.45Å; F188-H194 HydrophobicContact CE1-CB 4.24Å; Y191-H194 PolarHBondContact O-N 2.61Å; H194-N196 VanDerWaalsContact C-N 3.3Å; H194-N196 PolarHBondContact O-N 3.47Å; H194-L197 PolarHBondContact O-N 3.02Å; H194-F198 PolarHBondContact O-N 2.78Å; H194-F198 VanDerWaalsContact O-N 3.13Å; H194-P300 WeakPolarHBondContact CE1-CB 3.17Å |
| 195 | L | 84.3 | Confident | 82.5 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.8 | -38.3 | 172.8 | 179.8 | 55.1 | 0 | 0 | 0 | 111.6 | F188 Y191 P192 L197 F198 I199 L284 L289 | F188-L195 HydrophobicContact CB-CB 4.18Å; F188-L195 HydrophobicContact CB-CD1 3.87Å; F188-L195 HydrophobicContact CB-CD2 4.42Å; F188-L195 HydrophobicContact CB-CG 4.36Å; F188-L195 HydrophobicContact CD1-CB 3.95Å; F188-L195 HydrophobicContact CD1-CD1 4.22Å; F188-L195 HydrophobicContact CG-CD1 4.23Å; Y191-L195 PolarHBondContact O-N 3Å; Y191-L195 VanDerWaalsContact O-N 3.08Å; P192-L195 PolarHBondContact O-N 3.39Å; L195-L197 PolarHBondContact O-N 3.34Å; L195-F198 HydrophobicContact CD1-CD1 4.25Å; L195-F198 PolarHBondContact O-N 2.86Å; L195-I199 HydrophobicContact CD1-CD1 4Å; L195-I199 HydrophobicContact CD1-CG1 3.96Å; L195-I199 HydrophobicContact CG-CD1 3.86Å; L195-I199 HydrophobicContact CG-CG1 4.28Å; L195-I199 VanDerWaalsContact O-CG1 3.25Å; L195-I199 WeakPolarHBondContact O-CG1 3.31Å; L195-I199 PolarHBondContact O-N 3.25Å; L195-L284 HydrophobicContact CD1-CD2 3.96Å; L195-L284 HydrophobicContact CD2-CD2 4.47Å; L195-L289 HydrophobicContact CD2-CB 4.05Å; L195-L289 HydrophobicContact CD2-CD1 4.12Å; L195-L289 HydrophobicContact CD2-CD2 4.18Å; L195-L289 HydrophobicContact CD2-CG 4.35Å |
| 196 | N | 84.2 | Confident | 82.5 | Confident | 16 Ų | 16 | 25.9 Ų | 25.9 | 9% | 0.086 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.9 | -53 | 175.4 | -174.4 | 3.2 | 0 | 0 | 0 | 111.4 | P192 E193 H194 F198 I199 I200 L293 | P192-N196 PolarHBondContact O-N 2.88Å; E193-N196 WeakPolarHBondContact O-CB 3.44Å; E193-N196 PolarHBondContact O-N 3.22Å; H194-N196 VanDerWaalsContact C-N 3.3Å; H194-N196 PolarHBondContact O-N 3.47Å; N196-F198 VanDerWaalsContact C-N 3.32Å; N196-F198 PolarHBondContact O-N 3Å; N196-I199 PolarHBondContact O-N 3.4Å; N196-I200 WeakPolarHBondContact O-CD1 3.38Å; N196-I200 VanDerWaalsContact O-CG1 3.3Å; N196-I200 WeakPolarHBondContact O-CG1 3.35Å; N196-I200 PolarHBondContact O-N 3.02Å; N196-I200 WeakPolarHBondContact OD1-CD1 3.05Å; N196-L293 WeakPolarHBondContact OD1-CD2 3.35Å |
| 197 | L | 86.8 | Confident | 82.2 | Confident | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59 | -41.3 | 177 | -85.2 | 177.5 | 0 | 0 | 0 | 113.1 | L145 W148 H194 L195 I200 N201 L299 P300 | L145-L197 HydrophobicContact CD2-CD2 3.89Å; W148-L197 HydrophobicContact CH2-CD2 3.52Å; W148-L197 HydrophobicContact CZ3-CD2 3.64Å; H194-L197 PolarHBondContact O-N 3.02Å; L195-L197 PolarHBondContact O-N 3.34Å; L197-I200 PolarHBondContact O-N 2.59Å; L197-N201 PolarHBondContact O-N 2.99Å; L197-L299 HydrophobicContact CD1-CD2 4.05Å; L197-L299 HydrophobicContact CD2-CD2 3.57Å; L197-L299 HydrophobicContact CG-CD2 4.1Å; L197-P300 HydrophobicContact CD1-CG 3.67Å |
| 198 | F | 87.3 | Confident | 82 | Confident | 3 Ų | 3 | 21.5 Ų | 21.5 | 1% | 0.013 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 176.8 | -178.6 | -106.8 | 0 | 0 | 0 | 112.2 | F128 I144 W170 I177 I184 F188 H194 L195 N196 I200 N201 L202 | F128-F198 HydrophobicContact CZ-CE2 4.38Å; I144-F198 HydrophobicContact CD1-CB 4.32Å; I144-F198 HydrophobicContact CD1-CD2 4.4Å; W170-F198 HydrophobicContact CZ3-CE2 4.22Å; I177-F198 HydrophobicContact CD1-CE2 4.49Å; I177-F198 HydrophobicContact CG2-CZ 3.86Å; I184-F198 HydrophobicContact CG2-CZ 4.5Å; F188-F198 HydrophobicContact CE1-CB 4.12Å; F188-F198 HydrophobicContact CE1-CG 4.49Å; F188-F198 HydrophobicContact CZ-CG 4.49Å; H194-F198 PolarHBondContact O-N 2.78Å; H194-F198 VanDerWaalsContact O-N 3.13Å; L195-F198 HydrophobicContact CD1-CD1 4.25Å; L195-F198 PolarHBondContact O-N 2.86Å; N196-F198 VanDerWaalsContact C-N 3.32Å; N196-F198 PolarHBondContact O-N 3Å; F198-I200 PolarHBondContact O-N 3Å; F198-N201 PolarHBondContact O-N 3.49Å; F198-L202 HydrophobicContact CD1-CD1 4.06Å; F198-L202 HydrophobicContact CE1-CD1 3.6Å; F198-L202 HydrophobicContact CE1-CG 4.27Å; F198-L202 HydrophobicContact CZ-CD1 4.03Å; F198-L202 HydrophobicContact CZ-CD2 4.43Å; F198-L202 HydrophobicContact CZ-CG 4.32Å; F198-L202 WeakPolarHBondContact O-CG 3.24Å; F198-L202 PolarHBondContact O-N 3.32Å |
| 199 | I | 86 | Confident | 81.5 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 176.4 | -64.2 | 170.7 | 0 | 0 | 0 | 110.8 | L195 N196 N201 L202 L203 L281 L284 L293 | L195-I199 HydrophobicContact CD1-CD1 4Å; L195-I199 HydrophobicContact CD1-CG1 3.96Å; L195-I199 HydrophobicContact CG-CD1 3.86Å; L195-I199 HydrophobicContact CG-CG1 4.28Å; L195-I199 VanDerWaalsContact O-CG1 3.25Å; L195-I199 WeakPolarHBondContact O-CG1 3.31Å; L195-I199 PolarHBondContact O-N 3.25Å; N196-I199 PolarHBondContact O-N 3.4Å; I199-N201 VanDerWaalsContact C-N 3.3Å; I199-N201 PolarHBondContact O-N 3.47Å; I199-L202 PolarHBondContact O-N 3.47Å; I199-L203 HydrophobicContact CG2-CD1 4.15Å; I199-L203 HydrophobicContact CG2-CG 4.44Å; I199-L203 WeakPolarHBondContact O-CG 3.36Å; I199-L203 PolarHBondContact O-N 2.94Å; I199-L281 HydrophobicContact CG2-CD2 4.26Å; I199-L284 HydrophobicContact CD1-CD1 4.19Å; I199-L284 HydrophobicContact CD1-CD2 4.41Å; I199-L284 HydrophobicContact CG1-CD1 3.8Å; I199-L293 HydrophobicContact CB-CD2 4.02Å; I199-L293 HydrophobicContact CG2-CD1 3.91Å; I199-L293 HydrophobicContact CG2-CD2 3.78Å; I199-L293 HydrophobicContact CG2-CG 4.05Å |
| 200 | I | 85.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.9 | -39.9 | 177.1 | -64.4 | 157.2 | 0 | 0 | 0 | 110.8 | W148 N196 L197 F198 L203 H204 L293 R317 L320 L321 | W148-I200 HydrophobicContact CH2-CB 3.95Å; W148-I200 HydrophobicContact CH2-CG2 3.49Å; W148-I200 VanDerWaalsContact CH2-CG2 3.49Å; W148-I200 HydrophobicContact CZ2-CB 4.26Å; W148-I200 HydrophobicContact CZ2-CG2 3.78Å; W148-I200 HydrophobicContact CZ3-CG2 4.42Å; N196-I200 WeakPolarHBondContact O-CD1 3.38Å; N196-I200 VanDerWaalsContact O-CG1 3.3Å; N196-I200 WeakPolarHBondContact O-CG1 3.35Å; N196-I200 PolarHBondContact O-N 3.02Å; N196-I200 WeakPolarHBondContact OD1-CD1 3.05Å; L197-I200 PolarHBondContact O-N 2.59Å; F198-I200 PolarHBondContact O-N 3Å; I200-L203 PolarHBondContact O-N 3.35Å; I200-H204 WeakPolarHBondContact O-CB 3.26Å; I200-H204 PolarHBondContact O-N 2.98Å; I200-L293 HydrophobicContact CG1-CD2 3.91Å; I200-R317 HydrophobicContact CD1-CG 3.43Å; I200-R317 VanDerWaalsContact CD1-CG 3.43Å; I200-L320 HydrophobicContact CG2-CB 4.02Å; I200-L320 HydrophobicContact CG2-CD1 4.25Å; I200-L321 HydrophobicContact CD1-CD1 4.28Å; I200-L321 HydrophobicContact CD1-CG 4.38Å; I200-L321 HydrophobicContact CG1-CD1 4.43Å; I200-L321 HydrophobicContact CG1-CD2 3.79Å; I200-L321 HydrophobicContact CG1-CG 4.04Å |
| 201 | N | 88.7 | Confident | 79.7 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65 | -40.5 | 176.9 | -161.6 | 46.4 | 0 | 0 | 0 | 112.2 | I144 W148 L197 F198 I199 H204 I205 | I144-N201 HydrophobicContact CD1-CB 4.48Å; I144-N201 HydrophobicContact CG1-CB 4.46Å; I144-N201 HydrophobicContact CG2-CB 3.85Å; W148-N201 HydrophobicContact CZ2-CB 4.07Å; W148-N201 PolarHBondContact NE1-OD1 2.99Å; L197-N201 PolarHBondContact O-N 2.99Å; F198-N201 PolarHBondContact O-N 3.49Å; I199-N201 VanDerWaalsContact C-N 3.3Å; I199-N201 PolarHBondContact O-N 3.47Å; N201-H204 WeakPolarHBondContact O-CB 3.46Å; N201-H204 PolarHBondContact O-N 3.29Å; N201-I205 WeakPolarHBondContact O-CG1 3.16Å; N201-I205 PolarHBondContact O-N 2.88Å; N201-I205 VanDerWaalsContact O-N 3.07Å |
| 202 | L | 87.8 | Confident | 78.3 | Confident | 3 Ų | 3 | 18.2 Ų | 18.2 | 2% | 0.016 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 173.3 | -70.8 | 175.9 | 0 | 0 | 0 | 112 | F198 I199 I205 Y206 I277 I280 | F198-L202 HydrophobicContact CD1-CD1 4.06Å; F198-L202 HydrophobicContact CE1-CD1 3.6Å; F198-L202 HydrophobicContact CE1-CG 4.27Å; F198-L202 HydrophobicContact CZ-CD1 4.03Å; F198-L202 HydrophobicContact CZ-CD2 4.43Å; F198-L202 HydrophobicContact CZ-CG 4.32Å; F198-L202 WeakPolarHBondContact O-CG 3.24Å; F198-L202 PolarHBondContact O-N 3.32Å; I199-L202 PolarHBondContact O-N 3.47Å; L202-I205 PolarHBondContact O-N 3.14Å; L202-Y206 WeakPolarHBondContact O-CB 3.22Å; L202-Y206 PolarHBondContact O-N 3.25Å; L202-I277 HydrophobicContact CB-CG2 4.16Å; L202-I277 HydrophobicContact CD2-CG1 4.48Å; L202-I280 HydrophobicContact CD1-CB 4.45Å; L202-I280 HydrophobicContact CD1-CG2 3.7Å |
| 203 | L | 84.1 | Confident | 76.9 | Confident | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.7 | -39.8 | 176.1 | -72.9 | 174.4 | 0 | 0 | 0 | 111.8 | I199 I200 Y206 V207 L281 A324 L328 T352 | I199-L203 HydrophobicContact CG2-CD1 4.15Å; I199-L203 HydrophobicContact CG2-CG 4.44Å; I199-L203 WeakPolarHBondContact O-CG 3.36Å; I199-L203 PolarHBondContact O-N 2.94Å; I200-L203 PolarHBondContact O-N 3.35Å; L203-Y206 WeakPolarHBondContact O-CB 3.23Å; L203-Y206 PolarHBondContact O-N 3.44Å; L203-V207 WeakPolarHBondContact O-CB 3.45Å; L203-V207 WeakPolarHBondContact O-CG2 2.93Å; L203-V207 PolarHBondContact O-N 2.69Å; L203-L281 HydrophobicContact CD2-CD1 3.9Å; L203-L281 HydrophobicContact CD2-CD2 4.39Å; L203-A324 HydrophobicContact CB-CB 3.83Å; L203-A324 HydrophobicContact CD1-CB 4.16Å; L203-A324 HydrophobicContact CD2-CB 4.35Å; L203-A324 HydrophobicContact CG-CB 4.35Å; L203-L328 HydrophobicContact CD2-CD1 4.11Å; L203-T352 HydrophobicContact CD1-CG2 3.9Å |
| 204 | H | 85 | Confident | 75.3 | Confident | 9 Ų | 9 | 22.8 Ų | 22.8 | 4% | 0.042 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.6 | -50.9 | 175.1 | 174 | -149 | 0 | 0 | 0 | 111.3 | W148 Y167 I200 N201 Y206 V207 D208 L320 | W148-H204 AromaticContact CD1-ND1 3.85Å; W148-H204 AromaticContact NE1-ND1 3.63Å; Y167-H204 AromaticContact CD2-CE1 3.92Å; Y167-H204 AromaticContact CE2-CE1 3.63Å; Y167-H204 AromaticContact CE2-ND1 3.95Å; I200-H204 WeakPolarHBondContact O-CB 3.26Å; I200-H204 PolarHBondContact O-N 2.98Å; N201-H204 WeakPolarHBondContact O-CB 3.46Å; N201-H204 PolarHBondContact O-N 3.29Å; H204-Y206 PolarHBondContact O-N 3.46Å; H204-V207 PolarHBondContact O-N 3.49Å; H204-D208 IonicContact CD2-OD2 2.59Å; H204-D208 PolarHBondContact CD2-OD2 3.41Å; H204-D208 IonicContact NE2-OD2 2.68Å; H204-D208 PolarHBondContact NE2-OD2 2.91Å; H204-D208 PolarHBondContact O-N 3.48Å; H204-L320 HydrophobicContact CB-CD1 4.23Å; H204-L320 HydrophobicContact CB-CD2 4.14Å; H204-L320 WeakPolarHBondContact CD2-CD2 3.48Å |
| 205 | I | 83.9 | Confident | 73.1 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 178.6 | -61.5 | 165.8 | 0 | 0 | 0 | 111.2 | Y167 W170 I171 I174 N201 L202 V207 D208 H209 I277 | Y167-I205 HydrophobicContact CE2-CG1 3.96Å; W170-I205 HydrophobicContact CB-CD1 3.94Å; I171-I205 HydrophobicContact CG1-CG2 3.88Å; I174-I205 HydrophobicContact CD1-CD1 4.19Å; I174-I205 HydrophobicContact CD1-CG2 3.77Å; N201-I205 WeakPolarHBondContact O-CG1 3.16Å; N201-I205 PolarHBondContact O-N 2.88Å; N201-I205 VanDerWaalsContact O-N 3.07Å; L202-I205 PolarHBondContact O-N 3.14Å; I205-V207 VanDerWaalsContact C-N 3.32Å; I205-V207 PolarHBondContact O-N 3.37Å; I205-D208 PolarHBondContact O-N 3.21Å; I205-H209 PolarHBondContact O-CD2 3.35Å; I205-H209 PolarHBondContact O-N 3.39Å; I205-I277 HydrophobicContact CB-CD1 4.14Å; I205-I277 HydrophobicContact CG2-CD1 3.82Å |
| 206 | Y | 78.9 | Confident | 71.2 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.6 | -46.8 | 175.4 | -178.2 | -100.3 | 0 | 0 | 0 | 111.7 | L202 L203 H204 H209 N210 C274 I277 V278 L327 L328 E331 I341 | L202-Y206 WeakPolarHBondContact O-CB 3.22Å; L202-Y206 PolarHBondContact O-N 3.25Å; L203-Y206 WeakPolarHBondContact O-CB 3.23Å; L203-Y206 PolarHBondContact O-N 3.44Å; H204-Y206 PolarHBondContact O-N 3.46Å; Y206-H209 PolarHBondContact O-N 3.22Å; Y206-N210 WeakPolarHBondContact CE1-ND2 3.46Å; Y206-N210 PolarHBondContact O-N 3.43Å; Y206-N210 VanDerWaalsContact O-N 3.13Å; Y206-N210 PolarHBondContact OH-ND2 2.9Å; Y206-C274 HydrophobicContact CD2-CB 4.3Å; Y206-C274 HydrophobicContact CE2-CB 4.12Å; Y206-I277 HydrophobicContact CD2-CB 4.48Å; Y206-I277 HydrophobicContact CD2-CG2 4.32Å; Y206-V278 HydrophobicContact CD2-CG2 4.34Å; Y206-V278 HydrophobicContact CE2-CG2 3.67Å; Y206-L327 HydrophobicContact CD1-CD2 3.98Å; Y206-L327 HydrophobicContact CE1-CD2 3.85Å; Y206-L328 HydrophobicContact CE1-CD2 4.21Å; Y206-E331 PolarHBondContact OH-OE2 3.08Å; Y206-I341 HydrophobicContact CE1-CD1 4.02Å; Y206-I341 VanDerWaalsContact OH-CD1 3.24Å; Y206-I341 WeakPolarHBondContact OH-CD1 3.39Å; Y206-I341 WeakPolarHBondContact OH-CG1 3.31Å |
| 207 | V | 73.8 | Confident | 69.3 | Low | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.3 | -48.1 | -178.1 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | L203 H204 I205 H209 N210 F211 R323 A324 L327 | L203-V207 WeakPolarHBondContact O-CB 3.45Å; L203-V207 WeakPolarHBondContact O-CG2 2.93Å; L203-V207 PolarHBondContact O-N 2.69Å; H204-V207 PolarHBondContact O-N 3.49Å; I205-V207 VanDerWaalsContact C-N 3.32Å; I205-V207 PolarHBondContact O-N 3.37Å; V207-H209 VanDerWaalsContact C-N 3.34Å; V207-H209 PolarHBondContact O-N 2.87Å; V207-N210 PolarHBondContact O-N 2.77Å; V207-F211 HydrophobicContact CG1-CD2 3.49Å; V207-F211 VanDerWaalsContact CG1-CD2 3.49Å; V207-F211 HydrophobicContact CG1-CE2 3.55Å; V207-F211 VanDerWaalsContact O-CB 3.28Å; V207-F211 WeakPolarHBondContact O-CB 3.18Å; V207-F211 WeakPolarHBondContact O-CD2 3.11Å; V207-F211 PolarHBondContact O-N 3.46Å; V207-R323 HydrophobicContact CG1-CB 4.39Å; V207-R323 HydrophobicContact CG1-CG 3.66Å; V207-A324 VanDerWaalsContact CG2-CA 3.44Å; V207-A324 HydrophobicContact CG2-CB 3.82Å; V207-L327 HydrophobicContact CB-CD2 4.3Å; V207-L327 HydrophobicContact CG2-CB 4.4Å; V207-L327 HydrophobicContact CG2-CD2 3.99Å |
| 208 | D | 71.9 | Confident | 67.2 | Low | 34 Ų | 34 | 42.3 Ų | 42.3 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -39 | -179 | -76.1 | -25.1 | 0 | 0 | 0 | 113 | Y167 H204 I205 R323 | Y167-D208 WeakPolarHBondContact OH-CB 3.21Å; Y167-D208 PolarHBondContact OH-OD2 3.19Å; H204-D208 IonicContact CD2-OD2 2.59Å; H204-D208 PolarHBondContact CD2-OD2 3.41Å; H204-D208 IonicContact NE2-OD2 2.68Å; H204-D208 PolarHBondContact NE2-OD2 2.91Å; H204-D208 PolarHBondContact O-N 3.48Å; I205-D208 PolarHBondContact O-N 3.21Å; D208-R323 IonicContact OD1-CZ 3.67Å; D208-R323 IonicContact OD1-NH1 3.17Å; D208-R323 PolarHBondContact OD1-NH1 3.27Å; D208-R323 IonicContact OD1-NH2 2.67Å; D208-R323 PolarHBondContact OD1-NH2 3.18Å |
| 209 | H | 68.9 | Low | 65 | Low | 25 Ų | 25 | 49.8 Ų | 49.8 | 12% | 0.116 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.7 | -32.4 | 178.2 | -86.5 | -60.8 | 0 | 0 | 0 | 113.5 | I205 Y206 V207 I270 C274 | I205-H209 PolarHBondContact O-CD2 3.35Å; I205-H209 PolarHBondContact O-N 3.39Å; Y206-H209 PolarHBondContact O-N 3.22Å; V207-H209 VanDerWaalsContact C-N 3.34Å; V207-H209 PolarHBondContact O-N 2.87Å; H209-I270 HydrophobicContact CB-CG2 4.02Å; H209-C274 VanDerWaalsContact CB-SG 3.54Å |
| 210 | N | 63.8 | Low | 63 | Low | 16 Ų | 16 | 52 Ų | 52 | 9% | 0.086 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -83.9 | -26.7 | 174.9 | -81.6 | -4 | 0 | 0 | 0 | 113.3 | Y206 V207 Q212 K213 C274 L327 E331 | Y206-N210 WeakPolarHBondContact CE1-ND2 3.46Å; Y206-N210 PolarHBondContact O-N 3.43Å; Y206-N210 VanDerWaalsContact O-N 3.13Å; Y206-N210 PolarHBondContact OH-ND2 2.9Å; V207-N210 PolarHBondContact O-N 2.77Å; N210-Q212 PolarHBondContact O-N 2.66Å; N210-K213 WeakPolarHBondContact O-CB 3.28Å; N210-K213 PolarHBondContact O-N 3.48Å; N210-K213 VanDerWaalsContact O-N 3.1Å; N210-C274 PolarHBondContact OD1-SG 3.23Å; N210-C274 VanDerWaalsContact OD1-SG 3.4Å; N210-L327 HydrophobicContact CB-CD1 4.4Å; N210-L327 HydrophobicContact CB-CD2 3.67Å; N210-E331 PolarHBondContact ND2-OE1 2.87Å |
| 211 | F | 54.3 | Low | 61.1 | Low | 27 Ų | 27 | 62.4 Ų | 62.4 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.5 | -26.9 | 174.3 | -110.5 | -103.9 | 0 | 0 | 0 | 112.8 | V207 K213 E214 W217 R323 | V207-F211 HydrophobicContact CG1-CD2 3.49Å; V207-F211 VanDerWaalsContact CG1-CD2 3.49Å; V207-F211 HydrophobicContact CG1-CE2 3.55Å; V207-F211 VanDerWaalsContact O-CB 3.28Å; V207-F211 WeakPolarHBondContact O-CB 3.18Å; V207-F211 WeakPolarHBondContact O-CD2 3.11Å; V207-F211 PolarHBondContact O-N 3.46Å; F211-K213 PolarHBondContact O-N 3.15Å; F211-E214 HydrophobicContact CD1-CG 4.34Å; F211-E214 WeakPolarHBondContact CD1-OE1 3.4Å; F211-E214 WeakPolarHBondContact CE1-OE1 3.32Å; F211-E214 VanDerWaalsContact O-CB 3.25Å; F211-E214 WeakPolarHBondContact O-CB 3.18Å; F211-E214 WeakPolarHBondContact O-CG 3.25Å; F211-E214 PolarHBondContact O-N 3.15Å; F211-E214 VanDerWaalsContact O-N 3.13Å; F211-W217 AromaticContact CE1-CD1 3.99Å; F211-W217 HydrophobicContact CE1-CD2 4.09Å; F211-W217 AromaticContact CE1-CE2 3.51Å; F211-W217 HydrophobicContact CE1-CG 4.44Å; F211-W217 HydrophobicContact CE1-CH2 4.39Å; F211-W217 AromaticContact CE1-CZ2 3.78Å; F211-W217 HydrophobicContact CE1-CZ2 3.78Å; F211-W217 AromaticContact CE1-NE1 3.42Å; F211-W217 AromaticContact CE2-CZ2 3.77Å; F211-W217 HydrophobicContact CE2-CZ2 3.77Å; F211-W217 HydrophobicContact CZ-CD2 4.21Å; F211-W217 AromaticContact CZ-CE2 3.27Å; F211-W217 AromaticContact CZ-CH2 3.67Å; F211-W217 HydrophobicContact CZ-CH2 3.67Å; F211-W217 AromaticContact CZ-CZ2 3.04Å; F211-W217 HydrophobicContact CZ-CZ2 3.04Å; F211-W217 HydrophobicContact CZ-CZ3 4.48Å; F211-W217 AromaticContact CZ-NE1 3.44Å; F211-R323 HydrophobicContact CE2-CG 3.84Å; F211-R323 VanDerWaalsContact CE2-NE 3.3Å; F211-R323 HydrophobicContact CZ-CG 4Å; F211-R323 VanDerWaalsContact CZ-NE 3.3Å |
| 212 | Q | 50.5 | Low | 59.1 | Low | 77 Ų | 77 | 63.5 Ų | 63.5 | 36% | 0.36 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -7.8 | 176.2 | -68.4 | 177.9 | -1.5 | 0 | 0 | 114.1 | N210 E214 I261 | N210-Q212 PolarHBondContact O-N 2.66Å; Q212-E214 PolarHBondContact O-N 3.04Å; Q212-I261 HydrophobicContact CG-CD1 4.4Å; Q212-I261 VanDerWaalsContact NE2-CD1 3.25Å |
| 213 | K | 47.5 | Very low | 56.9 | Low | 129 Ų | 129 | 64 Ų | 64 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 17.9 | 171.3 | -66.7 | 177.6 | 179 | 165.4 | 0 | 113.5 | N210 F211 N215 | N210-K213 WeakPolarHBondContact O-CB 3.28Å; N210-K213 PolarHBondContact O-N 3.48Å; N210-K213 VanDerWaalsContact O-N 3.1Å; F211-K213 PolarHBondContact O-N 3.15Å; K213-N215 PolarHBondContact O-N 3.37Å |
| 214 | E | 42.1 | Very low | 54.7 | Low | 111 Ų | 111 | 63.9 Ų | 63.9 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | trans | -57.1 | 106.2 | -166.7 | -111.8 | 177.8 | -174.8 | 0 | 0 | 116.6 | F211 Q212 | F211-E214 HydrophobicContact CD1-CG 4.34Å; F211-E214 WeakPolarHBondContact CD1-OE1 3.4Å; F211-E214 WeakPolarHBondContact CE1-OE1 3.32Å; F211-E214 VanDerWaalsContact O-CB 3.25Å; F211-E214 WeakPolarHBondContact O-CB 3.18Å; F211-E214 WeakPolarHBondContact O-CG 3.25Å; F211-E214 PolarHBondContact O-N 3.15Å; F211-E214 VanDerWaalsContact O-N 3.13Å; Q212-E214 PolarHBondContact O-N 3.04Å | ||
| 215 | N | 40 | Very low | 52.7 | Low | 123 Ų | 123 | 64 Ų | 64 | 66% | 0.658 | 31% | 0.311 | S | S | * | . | trans | -124.1 | 1.2 | 140.8 | -98.2 | -32.9 | 0 | 0 | 0 | 111.9 | K213 W217 | K213-N215 PolarHBondContact O-N 3.37Å; N215-W217 PolarHBondContact O-N 2.94Å | ||
| 216 | V | 44.1 | Very low | 50.8 | Low | 61 Ų | 61 | 66.6 Ų | 66.6 | 37% | 0.37 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -16.3 | -163.9 | -176.4 | 0 | 0 | 0 | 0 | 113.5 | Y330 | V216-Y330 HydrophobicContact CG1-CD1 4.32Å; V216-Y330 HydrophobicContact CG1-CD2 4Å; V216-Y330 HydrophobicContact CG1-CE1 4.05Å; V216-Y330 HydrophobicContact CG1-CE2 3.7Å; V216-Y330 HydrophobicContact CG1-CG 4.3Å; V216-Y330 HydrophobicContact CG2-CE1 3.85Å |
| 217 | W | 45 | Very low | 48.9 | Very low | 82 Ų | 82 | 68.5 Ų | 68.5 | 31% | 0.311 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 5.9 | -173.9 | -67.8 | 75.6 | 0 | 0 | 0 | 115.3 | F211 N215 L219 | F211-W217 AromaticContact CE1-CD1 3.99Å; F211-W217 HydrophobicContact CE1-CD2 4.09Å; F211-W217 AromaticContact CE1-CE2 3.51Å; F211-W217 HydrophobicContact CE1-CG 4.44Å; F211-W217 HydrophobicContact CE1-CH2 4.39Å; F211-W217 AromaticContact CE1-CZ2 3.78Å; F211-W217 HydrophobicContact CE1-CZ2 3.78Å; F211-W217 AromaticContact CE1-NE1 3.42Å; F211-W217 AromaticContact CE2-CZ2 3.77Å; F211-W217 HydrophobicContact CE2-CZ2 3.77Å; F211-W217 HydrophobicContact CZ-CD2 4.21Å; F211-W217 AromaticContact CZ-CE2 3.27Å; F211-W217 AromaticContact CZ-CH2 3.67Å; F211-W217 HydrophobicContact CZ-CH2 3.67Å; F211-W217 AromaticContact CZ-CZ2 3.04Å; F211-W217 HydrophobicContact CZ-CZ2 3.04Å; F211-W217 HydrophobicContact CZ-CZ3 4.48Å; F211-W217 AromaticContact CZ-NE1 3.44Å; N215-W217 PolarHBondContact O-N 2.94Å; W217-L219 PolarHBondContact O-N 2.97Å; W217-L219 VanDerWaalsContact O-N 3.13Å |
| 218 | K | 42.1 | Very low | 47.2 | Very low | 178 Ų | 178 | 70.5 Ų | 70.5 | 77% | 0.774 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 7.2 | 177.6 | -82.2 | -179.2 | 178.2 | 166.3 | 0 | 115.2 | ||
| 219 | L | 41.3 | Very low | 45.6 | Very low | 161 Ų | 161 | 71.7 Ų | 71.7 | 84% | 0.843 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 3.8 | -167 | -90.2 | 137.8 | 0 | 0 | 0 | 117.4 | W217 | W217-L219 PolarHBondContact O-N 2.97Å; W217-L219 VanDerWaalsContact O-N 3.13Å |
| 220 | S | 44 | Very low | 44.4 | Very low | 48 Ų | 48 | 71.9 Ų | 71.9 | 34% | 0.336 | 37% | 0.366 | S | S | . | . | trans | -155.5 | 135.1 | 164.8 | 64.3 | 0 | 0 | 0 | 0 | 114.1 | Q226 | S220-Q226 PolarHBondContact O-NE2 3.36Š| ||
| 221 | K | 44.7 | Very low | 43.5 | Very low | 219 Ų | 219 | 77.7 Ų | 77.7 | 95% | 0.952 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -81.6 | -10.2 | 176.9 | -77.3 | -176.1 | 178 | 178.6 | 0 | 113.9 | ||
| 222 | D | 47.9 | Very low | 42.6 | Very low | 23 Ų | 23 | 78.1 Ų | 78.1 | 12% | 0.123 | 40% | 0.401 | C | S | . | . | trans | -99.1 | 119.3 | -173.1 | -166.8 | -21.7 | 0 | 0 | 0 | 111.4 | A224 S225 Q226 A232 H237 S240 | D222-A224 PolarHBondContact O-N 3.04Å; D222-A224 PolarHBondContact OD1-N 3.41Å; D222-S225 PolarHBondContact O-N 3.22Å; D222-S225 VanDerWaalsContact O-N 3.09Å; D222-Q226 WeakPolarHBondContact O-CG 3.34Å; D222-Q226 PolarHBondContact O-N 2.69Å; D222-A232 HydrophobicContact CB-CB 4.22Å; D222-A232 WeakPolarHBondContact OD2-CB 3.5Å; D222-H237 IonicContact OD2-CE1 3.12Å; D222-H237 PolarHBondContact OD2-CE1 3.07Å; D222-H237 IonicContact OD2-ND1 2.79Å; D222-H237 PolarHBondContact OD2-ND1 3.47Å; D222-S240 VanDerWaalsContact OD1-CB 3.3Å; D222-S240 WeakPolarHBondContact OD1-CB 3.45Å | ||
| 223 | A | 41 | Very low | 42.2 | Very low | 13 Ų | 13 | 75.4 Ų | 75.4 | 11% | 0.107 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -56.2 | -33.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q226 M227 R244 I247 | A223-Q226 PolarHBondContact O-N 2.72Å; A223-M227 PolarHBondContact O-N 3.13Å; A223-R244 HydrophobicContact CB-CB 4.06Å; A223-I247 HydrophobicContact CB-CD1 3.71Å |
| 224 | A | 37.9 | Very low | 41.9 | Very low | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -71 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D222 Q226 M227 T228 Y243 | D222-A224 PolarHBondContact O-N 3.04Å; D222-A224 PolarHBondContact OD1-N 3.41Å; A224-Q226 VanDerWaalsContact C-N 3.31Å; A224-M227 PolarHBondContact O-N 3.18Å; A224-T228 WeakPolarHBondContact O-CB 3.42Å; A224-T228 WeakPolarHBondContact O-CG2 3.26Å; A224-T228 PolarHBondContact O-N 3.3Å; A224-T228 PolarHBondContact O-OG1 3.1Å; A224-Y243 HydrophobicContact CB-CD2 4.39Å |
| 225 | S | 44.1 | Very low | 41.7 | Very low | 12 Ų | 12 | 75 Ų | 75 | 8% | 0.084 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.1 | -32.5 | 173 | -67.1 | 0 | 0 | 0 | 0 | 112.4 | D222 G229 I230 A232 | D222-S225 PolarHBondContact O-N 3.22Å; D222-S225 VanDerWaalsContact O-N 3.09Å; S225-G229 WeakPolarHBondContact O-CA 3.45Å; S225-G229 PolarHBondContact O-N 3.03Å; S225-I230 VanDerWaalsContact CA-O 3.29Å; S225-I230 WeakPolarHBondContact CA-O 3.49Å; S225-I230 VanDerWaalsContact CB-O 3.26Å; S225-I230 WeakPolarHBondContact CB-O 3.33Å; S225-I230 PolarHBondContact OG-O 2.79Å; S225-A232 PolarHBondContact OG-N 2.84Å; S225-A232 VanDerWaalsContact OG-N 3.1Å |
| 226 | Q | 43.1 | Very low | 41.8 | Very low | 56 Ų | 56 | 70.2 Ų | 70.2 | 26% | 0.262 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 170.7 | -67.7 | 174.8 | 3.3 | 0 | 0 | 111.6 | S220 D222 A223 A224 R326 | S220-Q226 PolarHBondContact O-NE2 3.36Å; D222-Q226 WeakPolarHBondContact O-CG 3.34Å; D222-Q226 PolarHBondContact O-N 2.69Å; A223-Q226 PolarHBondContact O-N 2.72Å; A224-Q226 VanDerWaalsContact C-N 3.31Å; Q226-R326 PolarHBondContact O-NH1 3.02Å |
| 227 | M | 37.9 | Very low | 41.8 | Very low | 41 Ų | 41 | 72.3 Ų | 72.3 | 20% | 0.202 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -77.9 | -31.9 | 179.1 | -88.3 | 177.1 | 100 | 0 | 0 | 114.1 | A223 A224 Y243 I247 V322 | A223-M227 PolarHBondContact O-N 3.13Å; A224-M227 PolarHBondContact O-N 3.18Å; M227-Y243 HydrophobicContact CB-CD1 4.47Å; M227-Y243 HydrophobicContact CE-CD1 3.67Å; M227-Y243 HydrophobicContact CE-CE1 3.8Å; M227-Y243 HydrophobicContact CG-CD1 4.47Å; M227-Y243 HydrophobicContact SD-CD1 3.18Å; M227-Y243 WeakPolarHBondContact SD-CD1 3.35Å; M227-Y243 HydrophobicContact SD-CE1 3.84Å; M227-Y243 HydrophobicContact SD-CG 3.78Å; M227-I247 HydrophobicContact CG-CD1 3.66Å; M227-I247 HydrophobicContact CG-CG1 4.39Å; M227-I247 HydrophobicContact SD-CD1 3.42Å; M227-I247 WeakPolarHBondContact SD-CD1 3.24Å; M227-I247 HydrophobicContact SD-CG1 3.67Å; M227-V322 WeakPolarHBondContact O-CG1 3.35Å |
| 228 | T | 39.9 | Very low | 41.8 | Very low | 45 Ų | 45 | 71 Ų | 71 | 28% | 0.276 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -104.2 | -15.9 | -169.5 | 63.1 | 0 | 0 | 0 | 0 | 114.5 | A224 I230 M236 | A224-T228 WeakPolarHBondContact O-CB 3.42Å; A224-T228 WeakPolarHBondContact O-CG2 3.26Å; A224-T228 PolarHBondContact O-N 3.3Å; A224-T228 PolarHBondContact O-OG1 3.1Å; T228-I230 HydrophobicContact CG2-CD1 4.5Å; T228-I230 PolarHBondContact O-N 2.95Å; T228-I230 WeakPolarHBondContact OG1-CB 3.41Å; T228-I230 PolarHBondContact OG1-N 3.37Å; T228-M236 HydrophobicContact CG2-CE 4.19Å |
| 229 | G | 38.3 | Very low | 41.8 | Very low | 59 Ų | 59 | 64.6 Ų | 64.6 | 61% | 0.608 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 68.4 | 8.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S225 | S225-G229 WeakPolarHBondContact O-CA 3.45Å; S225-G229 PolarHBondContact O-N 3.03Å |
| 230 | I | 42.8 | Very low | 41.8 | Very low | 28 Ų | 28 | 57.6 Ų | 57.6 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | trans | -102.5 | 131.4 | -176.6 | -58.6 | 162.3 | 0 | 0 | 0 | 109 | S225 T228 M236 N392 Y396 | S225-I230 VanDerWaalsContact CA-O 3.29Å; S225-I230 WeakPolarHBondContact CA-O 3.49Å; S225-I230 VanDerWaalsContact CB-O 3.26Å; S225-I230 WeakPolarHBondContact CB-O 3.33Å; S225-I230 PolarHBondContact OG-O 2.79Å; T228-I230 HydrophobicContact CG2-CD1 4.5Å; T228-I230 PolarHBondContact O-N 2.95Å; T228-I230 WeakPolarHBondContact OG1-CB 3.41Å; T228-I230 PolarHBondContact OG1-N 3.37Å; I230-M236 HydrophobicContact CB-CE 3.99Å; I230-M236 HydrophobicContact CD1-CE 3.58Å; I230-M236 HydrophobicContact CG1-CE 4.41Å; I230-M236 HydrophobicContact CG2-CE 3.95Å; I230-N392 WeakPolarHBondContact CG2-ND2 3.48Å; I230-Y396 WeakPolarHBondContact CD1-OH 3.34Å; I230-Y396 WeakPolarHBondContact CG1-OH 3.24Å; I230-Y396 HydrophobicContact CG2-CE2 4.48Å | ||
| 231 | H | 44.1 | Very low | 41.8 | Very low | 138 Ų | 138 | 56.9 Ų | 56.9 | 64% | 0.639 | 33% | 0.333 | S | S | * | . | trans | -57.3 | 137.3 | 176.6 | -143.7 | -82 | 0 | 0 | 0 | 110.7 | S233 N392 | H231-S233 PolarHBondContact O-N 3.33Å; H231-S233 VanDerWaalsContact O-N 3.11Å; H231-N392 PolarHBondContact O-ND2 3.12Å | ||
| 232 | A | 36.3 | Very low | 41.8 | Very low | 36 Ų | 36 | 50.7 Ų | 50.7 | 30% | 0.298 | 31% | 0.309 | S | S | . | . | trans | -67.6 | 115.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D222 S225 | D222-A232 HydrophobicContact CB-CB 4.22Å; D222-A232 WeakPolarHBondContact OD2-CB 3.5Å; S225-A232 PolarHBondContact OG-N 2.84Å; S225-A232 VanDerWaalsContact OG-N 3.1Å | ||
| 233 | S | 41.4 | Very low | 41.6 | Very low | 21 Ų | 21 | 51 Ų | 51 | 15% | 0.147 | 31% | 0.309 | C | S | . | . | trans | -95 | 156.6 | 160.7 | 60 | 0 | 0 | 0 | 0 | 109.3 | H231 N235 M236 | H231-S233 PolarHBondContact O-N 3.33Å; H231-S233 VanDerWaalsContact O-N 3.11Å; S233-N235 PolarHBondContact O-N 3.13Å; S233-M236 WeakPolarHBondContact O-CA 3.49Å; S233-M236 WeakPolarHBondContact O-CB 3.4Å; S233-M236 PolarHBondContact O-N 3.06Å | ||
| 234 | V | 41.5 | Very low | 41.7 | Very low | 123 Ų | 123 | 57 Ų | 57 | 75% | 0.745 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -25.1 | -175.5 | 178.5 | 0 | 0 | 0 | 0 | 113.2 | H237 | V234-H237 WeakPolarHBondContact O-CB 3.39Å; V234-H237 PolarHBondContact O-N 3.27Å |
| 235 | N | 38.8 | Very low | 42.2 | Very low | 108 Ų | 108 | 63.7 Ų | 63.7 | 58% | 0.578 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -23.7 | 175.3 | -70.7 | -5.7 | 0 | 0 | 0 | 113.6 | S233 H237 L391 | S233-N235 PolarHBondContact O-N 3.13Å; N235-H237 PolarHBondContact O-N 2.9Å; N235-L391 HydrophobicContact CB-CD1 4.06Å; N235-L391 HydrophobicContact CB-CD2 3.96Å |
| 236 | M | 41.7 | Very low | 42.2 | Very low | 23 Ų | 23 | 65 Ų | 65 | 11% | 0.113 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.6 | -17.3 | 168.3 | -79.4 | -71.6 | -154.1 | 0 | 0 | 112.4 | T228 I230 S233 G238 L239 S240 | T228-M236 HydrophobicContact CG2-CE 4.19Å; I230-M236 HydrophobicContact CB-CE 3.99Å; I230-M236 HydrophobicContact CD1-CE 3.58Å; I230-M236 HydrophobicContact CG1-CE 4.41Å; I230-M236 HydrophobicContact CG2-CE 3.95Å; S233-M236 WeakPolarHBondContact O-CA 3.49Å; S233-M236 WeakPolarHBondContact O-CB 3.4Å; S233-M236 PolarHBondContact O-N 3.06Å; M236-G238 VanDerWaalsContact C-N 3.26Å; M236-G238 PolarHBondContact O-N 3.45Å; M236-L239 CarbonylContact O-C 3.57Å; M236-L239 PolarHBondContact O-N 3.41Å; M236-L239 HydrophobicContact SD-CB 4.41Å; M236-L239 HydrophobicContact SD-CD1 3.78Å; M236-S240 PolarHBondContact O-N 3.03Å |
| 237 | H | 42.8 | Very low | 42.3 | Very low | 104 Ų | 104 | 63.9 Ų | 63.9 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.3 | -28.2 | 175.8 | -79.5 | -40.8 | 0 | 0 | 0 | 113.3 | D222 V234 N235 S240 G241 | D222-H237 IonicContact OD2-CE1 3.12Å; D222-H237 PolarHBondContact OD2-CE1 3.07Å; D222-H237 IonicContact OD2-ND1 2.79Å; D222-H237 PolarHBondContact OD2-ND1 3.47Å; V234-H237 WeakPolarHBondContact O-CB 3.39Å; V234-H237 PolarHBondContact O-N 3.27Å; N235-H237 PolarHBondContact O-N 2.9Å; H237-S240 WeakPolarHBondContact O-CB 3.49Å; H237-S240 PolarHBondContact O-N 3.26Å; H237-S240 PolarHBondContact O-OG 3.26Å; H237-G241 PolarHBondContact O-N 2.93Å; H237-G241 VanDerWaalsContact O-N 3.15Å |
| 238 | G | 44.9 | Very low | 42.8 | Very low | 54 Ų | 54 | 65.9 Ų | 65.9 | 56% | 0.557 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.1 | -42.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M236 G241 | M236-G238 VanDerWaalsContact C-N 3.26Å; M236-G238 PolarHBondContact O-N 3.45Å; G238-G241 PolarHBondContact O-N 2.76Å |
| 239 | L | 43.4 | Very low | 43.1 | Very low | 44 Ų | 44 | 70.2 Ų | 70.2 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.9 | -31.1 | 171.5 | -78.1 | 165.3 | 0 | 0 | 0 | 112 | M236 G241 I242 Y243 L361 | M236-L239 CarbonylContact O-C 3.57Å; M236-L239 PolarHBondContact O-N 3.41Å; M236-L239 HydrophobicContact SD-CB 4.41Å; M236-L239 HydrophobicContact SD-CD1 3.78Å; L239-G241 PolarHBondContact O-N 2.64Å; L239-I242 PolarHBondContact O-N 3.35Å; L239-I242 VanDerWaalsContact O-N 3.11Å; L239-Y243 HydrophobicContact CB-CD2 3.97Å; L239-Y243 HydrophobicContact CB-CE2 4.08Å; L239-Y243 HydrophobicContact CD2-CE2 4Å; L239-Y243 HydrophobicContact CG-CE2 4.49Å; L239-Y243 WeakPolarHBondContact O-CB 3.41Å; L239-Y243 VanDerWaalsContact O-CD2 3.26Å; L239-Y243 WeakPolarHBondContact O-CD2 3.3Å; L239-Y243 PolarHBondContact O-N 2.82Å; L239-L361 HydrophobicContact CD1-CD2 4.1Å; L239-L361 HydrophobicContact CD2-CD2 3.67Å |
| 240 | S | 40.1 | Very low | 43.2 | Very low | 15 Ų | 15 | 69.3 Ų | 69.3 | 11% | 0.105 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.9 | -34.2 | 173.4 | 94.1 | 0 | 0 | 0 | 0 | 110.5 | D222 M236 H237 I242 R244 | D222-S240 VanDerWaalsContact OD1-CB 3.3Å; D222-S240 WeakPolarHBondContact OD1-CB 3.45Å; M236-S240 PolarHBondContact O-N 3.03Å; H237-S240 WeakPolarHBondContact O-CB 3.49Å; H237-S240 PolarHBondContact O-N 3.26Å; H237-S240 PolarHBondContact O-OG 3.26Å; S240-I242 VanDerWaalsContact C-N 3.33Å; S240-I242 PolarHBondContact O-N 3.38Å; S240-R244 VanDerWaalsContact O-CA 3.28Å; S240-R244 WeakPolarHBondContact O-CA 3.39Å; S240-R244 WeakPolarHBondContact O-CB 3.25Å; S240-R244 PolarHBondContact O-N 3.3Å |
| 241 | G | 45.2 | Very low | 43.2 | Very low | 33 Ų | 33 | 70.3 Ų | 70.3 | 34% | 0.34 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64 | -37.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H237 G238 L239 K245 | H237-G241 PolarHBondContact O-N 2.93Å; H237-G241 VanDerWaalsContact O-N 3.15Å; G238-G241 PolarHBondContact O-N 2.76Å; L239-G241 PolarHBondContact O-N 2.64Å; G241-K245 WeakPolarHBondContact O-CB 3.37Å; G241-K245 VanDerWaalsContact O-CG 3.29Å; G241-K245 WeakPolarHBondContact O-CG 3.28Å; G241-K245 PolarHBondContact O-N 3.25Å; G241-K245 VanDerWaalsContact O-N 3.11Å |
| 242 | I | 43.9 | Very low | 43.3 | Very low | 89 Ų | 89 | 69.4 Ų | 69.4 | 46% | 0.456 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -76.7 | -52.2 | 179.3 | -60.8 | 173.2 | 0 | 0 | 0 | 109.6 | L239 S240 R244 K245 S246 | L239-I242 PolarHBondContact O-N 3.35Å; L239-I242 VanDerWaalsContact O-N 3.11Å; S240-I242 VanDerWaalsContact C-N 3.33Å; S240-I242 PolarHBondContact O-N 3.38Å; I242-R244 PolarHBondContact O-N 2.93Å; I242-K245 WeakPolarHBondContact O-CB 3.29Å; I242-K245 PolarHBondContact O-N 3.02Å; I242-K245 VanDerWaalsContact O-N 3.15Å; I242-S246 PolarHBondContact O-N 3.43Å; I242-S246 PolarHBondContact O-OG 2.94Å |
| 243 | Y | 44 | Very low | 43.6 | Very low | 28 Ų | 28 | 70.8 Ų | 70.8 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.5 | -33.6 | 178.2 | -73.3 | -56.2 | 0 | 0 | 0 | 113.4 | A224 M227 L239 S246 I247 | A224-Y243 HydrophobicContact CB-CD2 4.39Å; M227-Y243 HydrophobicContact CB-CD1 4.47Å; M227-Y243 HydrophobicContact CE-CD1 3.67Å; M227-Y243 HydrophobicContact CE-CE1 3.8Å; M227-Y243 HydrophobicContact CG-CD1 4.47Å; M227-Y243 HydrophobicContact SD-CD1 3.18Å; M227-Y243 WeakPolarHBondContact SD-CD1 3.35Å; M227-Y243 HydrophobicContact SD-CE1 3.84Å; M227-Y243 HydrophobicContact SD-CG 3.78Å; L239-Y243 HydrophobicContact CB-CD2 3.97Å; L239-Y243 HydrophobicContact CB-CE2 4.08Å; L239-Y243 HydrophobicContact CD2-CE2 4Å; L239-Y243 HydrophobicContact CG-CE2 4.49Å; L239-Y243 WeakPolarHBondContact O-CB 3.41Å; L239-Y243 VanDerWaalsContact O-CD2 3.26Å; L239-Y243 WeakPolarHBondContact O-CD2 3.3Å; L239-Y243 PolarHBondContact O-N 2.82Å; Y243-S246 PolarHBondContact O-N 3.25Å; Y243-I247 WeakPolarHBondContact O-CA 3.48Å; Y243-I247 WeakPolarHBondContact O-CB 3.49Å; Y243-I247 WeakPolarHBondContact O-CG1 3.38Å; Y243-I247 PolarHBondContact O-N 2.96Å |
| 244 | R | 44 | Very low | 43.7 | Very low | 141 Ų | 141 | 73.7 Ų | 73.7 | 53% | 0.532 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.9 | -38.4 | 171.2 | -176.2 | -177.4 | -165.9 | 153.1 | 9.2 | 110.8 | A223 S240 I242 E248 | A223-R244 HydrophobicContact CB-CB 4.06Å; S240-R244 VanDerWaalsContact O-CA 3.28Å; S240-R244 WeakPolarHBondContact O-CA 3.39Å; S240-R244 WeakPolarHBondContact O-CB 3.25Å; S240-R244 PolarHBondContact O-N 3.3Å; I242-R244 PolarHBondContact O-N 2.93Å; R244-E248 WeakPolarHBondContact CD-OE1 3.05Å; R244-E248 VanDerWaalsContact CG-CD 3.47Å; R244-E248 HydrophobicContact CG-CG 3.98Å; R244-E248 WeakPolarHBondContact CG-OE1 3.16Å; R244-E248 IonicContact CZ-OE1 2.83Å; R244-E248 IonicContact NE-OE1 2.84Å; R244-E248 PolarHBondContact NE-OE1 3.38Å; R244-E248 WeakPolarHBondContact O-CA 3.35Å; R244-E248 WeakPolarHBondContact O-CB 3.17Å; R244-E248 WeakPolarHBondContact O-CG 2.98Å; R244-E248 PolarHBondContact O-N 3.49Å |
| 245 | K | 48.7 | Very low | 43.5 | Very low | 140 Ų | 140 | 73.5 Ų | 73.5 | 61% | 0.609 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.6 | -43.1 | 171.3 | -82.8 | 177.5 | 178.3 | -179.7 | 0 | 111.5 | G241 I242 Q249 | G241-K245 WeakPolarHBondContact O-CB 3.37Å; G241-K245 VanDerWaalsContact O-CG 3.29Å; G241-K245 WeakPolarHBondContact O-CG 3.28Å; G241-K245 PolarHBondContact O-N 3.25Å; G241-K245 VanDerWaalsContact O-N 3.11Å; I242-K245 WeakPolarHBondContact O-CB 3.29Å; I242-K245 PolarHBondContact O-N 3.02Å; I242-K245 VanDerWaalsContact O-N 3.15Å; K245-Q249 WeakPolarHBondContact O-CB 3.48Å; K245-Q249 WeakPolarHBondContact O-CG 3.38Å; K245-Q249 PolarHBondContact O-N 2.99Å |
| 246 | S | 43.4 | Very low | 43.4 | Very low | 39 Ų | 39 | 77.5 Ų | 77.5 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 177.3 | -52.2 | 0 | 0 | 0 | 0 | 111.5 | I242 Y243 Q249 L250 | I242-S246 PolarHBondContact O-N 3.43Å; I242-S246 PolarHBondContact O-OG 2.94Å; Y243-S246 PolarHBondContact O-N 3.25Å; S246-Q249 PolarHBondContact O-N 3.37Å; S246-L250 VanDerWaalsContact O-CB 3.24Å; S246-L250 WeakPolarHBondContact O-CB 3.24Å; S246-L250 WeakPolarHBondContact O-CD1 3.34Å; S246-L250 WeakPolarHBondContact O-CG 3.38Å; S246-L250 PolarHBondContact O-N 3.24Å |
| 247 | I | 44.8 | Very low | 43.1 | Very low | 32 Ų | 32 | 80.8 Ų | 80.8 | 16% | 0.164 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -68.8 | -42 | 176 | -70.5 | 166.6 | 0 | 0 | 0 | 110.7 | A223 M227 Y243 Q249 L250 S251 | A223-I247 HydrophobicContact CB-CD1 3.71Å; M227-I247 HydrophobicContact CG-CD1 3.66Å; M227-I247 HydrophobicContact CG-CG1 4.39Å; M227-I247 HydrophobicContact SD-CD1 3.42Å; M227-I247 WeakPolarHBondContact SD-CD1 3.24Å; M227-I247 HydrophobicContact SD-CG1 3.67Å; Y243-I247 WeakPolarHBondContact O-CA 3.48Å; Y243-I247 WeakPolarHBondContact O-CB 3.49Å; Y243-I247 WeakPolarHBondContact O-CG1 3.38Å; Y243-I247 PolarHBondContact O-N 2.96Å; I247-Q249 VanDerWaalsContact C-N 3.33Å; I247-L250 CarbonylContact O-C 3.46Å; I247-L250 PolarHBondContact O-N 3.13Å; I247-S251 WeakPolarHBondContact O-CA 3.1Å; I247-S251 WeakPolarHBondContact O-CB 3.16Å; I247-S251 PolarHBondContact O-N 3.38Å; I247-S251 PolarHBondContact O-OG 2.86Å |
| 248 | E | 47.7 | Very low | 42.8 | Very low | 84 Ų | 84 | 80.7 Ų | 80.7 | 39% | 0.393 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 174 | -76.7 | 171.3 | 179.2 | 0 | 0 | 109.1 | R244 L250 S251 I252 | R244-E248 WeakPolarHBondContact CD-OE1 3.05Å; R244-E248 VanDerWaalsContact CG-CD 3.47Å; R244-E248 HydrophobicContact CG-CG 3.98Å; R244-E248 WeakPolarHBondContact CG-OE1 3.16Å; R244-E248 IonicContact CZ-OE1 2.83Å; R244-E248 IonicContact NE-OE1 2.84Å; R244-E248 PolarHBondContact NE-OE1 3.38Å; R244-E248 WeakPolarHBondContact O-CA 3.35Å; R244-E248 WeakPolarHBondContact O-CB 3.17Å; R244-E248 WeakPolarHBondContact O-CG 2.98Å; R244-E248 PolarHBondContact O-N 3.49Å; E248-L250 VanDerWaalsContact C-N 3.32Å; E248-L250 PolarHBondContact O-N 3.21Å; E248-S251 WeakPolarHBondContact CA-OG 3.46Å; E248-S251 PolarHBondContact O-N 3.48Å; E248-I252 HydrophobicContact CB-CD1 4.21Å; E248-I252 WeakPolarHBondContact O-CB 3.33Å; E248-I252 WeakPolarHBondContact O-CD1 3.42Å; E248-I252 WeakPolarHBondContact O-CG1 3.05Å; E248-I252 PolarHBondContact O-N 2.91Å |
| 249 | Q | 48.1 | Very low | 42.5 | Very low | 136 Ų | 136 | 83 Ų | 83 | 64% | 0.636 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.9 | -35.3 | 173.8 | -75.6 | 173.8 | -9.6 | 0 | 0 | 113.4 | K245 S246 I247 N253 | K245-Q249 WeakPolarHBondContact O-CB 3.48Å; K245-Q249 WeakPolarHBondContact O-CG 3.38Å; K245-Q249 PolarHBondContact O-N 2.99Å; S246-Q249 PolarHBondContact O-N 3.37Å; I247-Q249 VanDerWaalsContact C-N 3.33Å; Q249-N253 PolarHBondContact O-ND2 3.45Å |
| 250 | L | 40.3 | Very low | 42.3 | Very low | 40 Ų | 40 | 87.8 Ų | 87.8 | 21% | 0.209 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -85.2 | -27.5 | 179.3 | -69.4 | 166.9 | 0 | 0 | 0 | 113.5 | I151 S246 I247 E248 N254 | I151-L250 HydrophobicContact CG2-CD2 4.11Å; I151-L250 WeakPolarHBondContact O-CD2 3.13Å; S246-L250 VanDerWaalsContact O-CB 3.24Å; S246-L250 WeakPolarHBondContact O-CB 3.24Å; S246-L250 WeakPolarHBondContact O-CD1 3.34Å; S246-L250 WeakPolarHBondContact O-CG 3.38Å; S246-L250 PolarHBondContact O-N 3.24Å; I247-L250 CarbonylContact O-C 3.46Å; I247-L250 PolarHBondContact O-N 3.13Å; E248-L250 VanDerWaalsContact C-N 3.32Å; E248-L250 PolarHBondContact O-N 3.21Å; L250-N254 PolarHBondContact O-ND2 3.45Å |
| 251 | S | 41.7 | Very low | 42.2 | Very low | 48 Ų | 48 | 89.8 Ų | 89.8 | 34% | 0.336 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -95.3 | -26.5 | -175.7 | 62.7 | 0 | 0 | 0 | 0 | 113.1 | I247 E248 N253 N254 T255 | I247-S251 WeakPolarHBondContact O-CA 3.1Å; I247-S251 WeakPolarHBondContact O-CB 3.16Å; I247-S251 PolarHBondContact O-N 3.38Å; I247-S251 PolarHBondContact O-OG 2.86Å; E248-S251 WeakPolarHBondContact CA-OG 3.46Å; E248-S251 PolarHBondContact O-N 3.48Å; S251-N253 PolarHBondContact O-N 2.76Å; S251-N253 VanDerWaalsContact O-N 3.15Å; S251-N254 PolarHBondContact O-N 2.92Å; S251-N254 VanDerWaalsContact O-N 3.15Å; S251-T255 WeakPolarHBondContact O-CG2 3.46Å |
| 252 | I | 46 | Very low | 41.7 | Very low | 119 Ų | 119 | 95.7 Ų | 95.7 | 61% | 0.61 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.2 | 170 | -72.2 | 164.9 | 0 | 0 | 0 | 110.8 | E248 | E248-I252 HydrophobicContact CB-CD1 4.21Å; E248-I252 WeakPolarHBondContact O-CB 3.33Å; E248-I252 WeakPolarHBondContact O-CD1 3.42Å; E248-I252 WeakPolarHBondContact O-CG1 3.05Å; E248-I252 PolarHBondContact O-N 2.91Å |
| 253 | N | 42.5 | Very low | 41.8 | Very low | 66 Ų | 66 | 94.7 Ų | 94.7 | 35% | 0.353 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -12.3 | 179.6 | -57.2 | -32.8 | 0 | 0 | 0 | 114.5 | G154 Q249 S251 | G154-N253 WeakPolarHBondContact CA-ND2 3.41Å; Q249-N253 PolarHBondContact O-ND2 3.45Å; S251-N253 PolarHBondContact O-N 2.76Å; S251-N253 VanDerWaalsContact O-N 3.15Å |
| 254 | N | 43.7 | Very low | 41.7 | Very low | 82 Ų | 82 | 100.8 Ų | 100.8 | 44% | 0.439 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -101.5 | 10.8 | -174.9 | -84.6 | -21.2 | 0 | 0 | 0 | 114.5 | L250 S251 | L250-N254 PolarHBondContact O-ND2 3.45Å; S251-N254 PolarHBondContact O-N 2.92Å; S251-N254 VanDerWaalsContact O-N 3.15Å |
| 255 | T | 36.9 | Very low | 41.7 | Very low | 118 Ų | 118 | 98.2 Ų | 98.2 | 72% | 0.724 | 53% | 0.534 | S | S | * | . | trans | -99.1 | 10.2 | -171.2 | 46.8 | 0 | 0 | 0 | 0 | 115.9 | S251 | S251-T255 WeakPolarHBondContact O-CG2 3.46Š| ||
| 256 | K | 38.3 | Very low | 41.8 | Very low | 193 Ų | 193 | 95.5 Ų | 95.5 | 84% | 0.839 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -100.1 | 102 | 171.5 | -78 | -178.2 | 178.8 | 175.7 | 0 | 111.9 | ||
| 257 | S | 34.4 | Very low | 42 | Very low | 92 Ų | 92 | 96.9 Ų | 96.9 | 64% | 0.643 | 53% | 0.531 | S | S | * | . | S | Bend | trans | 61.3 | 84.2 | 149.6 | 65.6 | 0 | 0 | 0 | 0 | 119.6 | ||
| 258 | L | 36 | Very low | 42.4 | Very low | 101 Ų | 101 | 99.7 Ų | 99.7 | 53% | 0.529 | 55% | 0.549 | S | S | . | . | trans | -125.1 | 21.9 | 144.4 | -102.7 | 104.7 | 0 | 0 | 0 | 112.5 | N260 I261 | L258-N260 VanDerWaalsContact C-N 3.28Å; L258-N260 PolarHBondContact O-N 2.94Å; L258-I261 HydrophobicContact CD2-CD1 4.18Å | ||
| 259 | S | 40.2 | Very low | 42.8 | Very low | 104 Ų | 104 | 98.5 Ų | 98.5 | 73% | 0.727 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 11.7 | -175.5 | 59.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 260 | N | 38.4 | Very low | 43.3 | Very low | 144 Ų | 144 | 92.8 Ų | 92.8 | 77% | 0.77 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | 28 | -173.2 | -80.7 | 0.7 | 0 | 0 | 0 | 114.6 | L258 N262 | L258-N260 VanDerWaalsContact C-N 3.28Å; L258-N260 PolarHBondContact O-N 2.94Å; N260-N262 PolarHBondContact O-N 3.43Å; N260-N262 VanDerWaalsContact O-N 3.13Å |
| 261 | I | 38.7 | Very low | 44.5 | Very low | 56 Ų | 56 | 93.1 Ų | 93.1 | 29% | 0.287 | 53% | 0.526 | S | S | . | . | trans | -86.7 | 84.9 | 177.7 | -58.1 | 176.1 | 0 | 0 | 0 | 109.1 | Q212 L258 Q266 I270 | Q212-I261 HydrophobicContact CG-CD1 4.4Å; Q212-I261 VanDerWaalsContact NE2-CD1 3.25Å; L258-I261 HydrophobicContact CD2-CD1 4.18Å; I261-Q266 HydrophobicContact CG2-CB 4.17Å; I261-I270 HydrophobicContact CG2-CD1 4.38Å | ||
| 262 | N | 33.2 | Very low | 45.9 | Very low | 158 Ų | 158 | 94.6 Ų | 94.6 | 85% | 0.845 | 53% | 0.533 | S | S | * | . | trans | -122.7 | 39.8 | 179.7 | -93.3 | -11.8 | 0 | 0 | 0 | 112.5 | N260 | N260-N262 PolarHBondContact O-N 3.43Å; N260-N262 VanDerWaalsContact O-N 3.13Å | ||
| 263 | T | 46.1 | Very low | 47.2 | Very low | 68 Ų | 68 | 89.8 Ų | 89.8 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | trans | -133.2 | 129.4 | 174.7 | 59.2 | 0 | 0 | 0 | 0 | 112.7 | S265 Q266 | T263-S265 PolarHBondContact O-N 3.25Å; T263-S265 VanDerWaalsContact O-N 3.09Å; T263-Q266 PolarHBondContact O-N 3.33Å; T263-Q266 VanDerWaalsContact OG1-CD 3.23Å; T263-Q266 WeakPolarHBondContact OG1-CG 3.45Å; T263-Q266 PolarHBondContact OG1-OE1 3.08Å; T263-Q266 VanDerWaalsContact OG1-OE1 3.12Å | ||
| 264 | L | 42.2 | Very low | 48.7 | Very low | 156 Ų | 156 | 86.8 Ų | 86.8 | 82% | 0.817 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -56.1 | -25.6 | -179.9 | -144 | 94.7 | 0 | 0 | 0 | 113 | T267 | L264-T267 VanDerWaalsContact C-OG1 3.3Å; L264-T267 WeakPolarHBondContact CA-OG1 3.48Å; L264-T267 PolarHBondContact O-OG1 3.12Å |
| 265 | S | 45.2 | Very low | 50.2 | Low | 86 Ų | 86 | 86.2 Ų | 86.2 | 60% | 0.601 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70.2 | -36.1 | 176.6 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | T263 V268 S269 | T263-S265 PolarHBondContact O-N 3.25Å; T263-S265 VanDerWaalsContact O-N 3.09Å; S265-V268 PolarHBondContact O-N 3.23Å; S265-S269 PolarHBondContact O-N 2.84Å |
| 266 | Q | 49.7 | Very low | 52.3 | Low | 83 Ų | 83 | 81.4 Ų | 81.4 | 39% | 0.388 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.7 | -31.8 | 178.2 | -72.6 | 173.9 | -21.3 | 0 | 0 | 111.7 | I261 T263 V268 S269 I270 | I261-Q266 HydrophobicContact CG2-CB 4.17Å; T263-Q266 PolarHBondContact O-N 3.33Å; T263-Q266 VanDerWaalsContact OG1-CD 3.23Å; T263-Q266 WeakPolarHBondContact OG1-CG 3.45Å; T263-Q266 PolarHBondContact OG1-OE1 3.08Å; T263-Q266 VanDerWaalsContact OG1-OE1 3.12Å; Q266-V268 VanDerWaalsContact C-N 3.29Å; Q266-V268 PolarHBondContact O-N 3.5Å; Q266-S269 PolarHBondContact O-N 2.93Å; Q266-S269 PolarHBondContact O-OG 3.48Å; Q266-I270 WeakPolarHBondContact O-CB 3.32Å; Q266-I270 VanDerWaalsContact O-CD1 3.31Å; Q266-I270 WeakPolarHBondContact O-CD1 3.28Å; Q266-I270 WeakPolarHBondContact O-CG1 3.47Å; Q266-I270 PolarHBondContact O-N 3.34Å |
| 267 | T | 48.9 | Very low | 54.4 | Low | 69 Ų | 69 | 72.2 Ų | 72.2 | 42% | 0.423 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.5 | -31.5 | 173.3 | 38.3 | 0 | 0 | 0 | 0 | 113.4 | L264 N271 | L264-T267 VanDerWaalsContact C-OG1 3.3Å; L264-T267 WeakPolarHBondContact CA-OG1 3.48Å; L264-T267 PolarHBondContact O-OG1 3.12Å; T267-N271 PolarHBondContact O-N 3.4Å; T267-N271 PolarHBondContact O-ND2 3.01Å |
| 268 | V | 52.6 | Low | 56.6 | Low | 91 Ų | 91 | 67.9 Ų | 67.9 | 55% | 0.552 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -70.3 | -45.8 | 174.9 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | S265 Q266 I270 N271 T272 | S265-V268 PolarHBondContact O-N 3.23Å; Q266-V268 VanDerWaalsContact C-N 3.29Å; Q266-V268 PolarHBondContact O-N 3.5Å; V268-I270 VanDerWaalsContact C-N 3.34Å; V268-I270 PolarHBondContact O-N 2.96Å; V268-N271 PolarHBondContact O-N 3.11Å; V268-T272 PolarHBondContact O-N 3.27Å; V268-T272 PolarHBondContact O-OG1 2.87Å |
| 269 | S | 56.3 | Low | 58.8 | Low | 58 Ų | 58 | 66.9 Ų | 66.9 | 41% | 0.406 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 178.9 | 66.1 | 0 | 0 | 0 | 0 | 112.3 | S265 Q266 T272 T273 | S265-S269 PolarHBondContact O-N 2.84Å; Q266-S269 PolarHBondContact O-N 2.93Å; Q266-S269 PolarHBondContact O-OG 3.48Å; S269-T272 VanDerWaalsContact CA-OG1 3.3Å; S269-T272 WeakPolarHBondContact CA-OG1 3.49Å; S269-T272 PolarHBondContact O-N 2.9Å; S269-T272 PolarHBondContact O-OG1 3.37Å; S269-T273 PolarHBondContact O-N 3.21Å; S269-T273 PolarHBondContact O-OG1 2.82Å |
| 270 | I | 58.5 | Low | 60.9 | Low | 17 Ų | 17 | 62 Ų | 62 | 9% | 0.087 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 176.3 | -68.6 | 163.1 | 0 | 0 | 0 | 110.7 | H209 I261 Q266 V268 T272 T273 C274 | H209-I270 HydrophobicContact CB-CG2 4.02Å; I261-I270 HydrophobicContact CG2-CD1 4.38Å; Q266-I270 WeakPolarHBondContact O-CB 3.32Å; Q266-I270 VanDerWaalsContact O-CD1 3.31Å; Q266-I270 WeakPolarHBondContact O-CD1 3.28Å; Q266-I270 WeakPolarHBondContact O-CG1 3.47Å; Q266-I270 PolarHBondContact O-N 3.34Å; V268-I270 VanDerWaalsContact C-N 3.34Å; V268-I270 PolarHBondContact O-N 2.96Å; I270-T272 PolarHBondContact O-N 2.58Å; I270-T273 PolarHBondContact O-N 2.85Å; I270-C274 PolarHBondContact O-N 3.33Å; I270-C274 PolarHBondContact O-SG 2.77Å |
| 271 | N | 64.4 | Low | 63 | Low | 47 Ų | 47 | 55.4 Ų | 55.4 | 25% | 0.251 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 178.4 | -78.4 | -22.7 | 0 | 0 | 0 | 112.3 | T267 V268 L275 | T267-N271 PolarHBondContact O-N 3.4Å; T267-N271 PolarHBondContact O-ND2 3.01Å; V268-N271 PolarHBondContact O-N 3.11Å; N271-L275 WeakPolarHBondContact O-CB 3.43Å; N271-L275 WeakPolarHBondContact O-CD1 3.37Å; N271-L275 VanDerWaalsContact O-CG 3.29Å; N271-L275 WeakPolarHBondContact O-CG 3.41Å; N271-L275 PolarHBondContact O-N 3.02Å |
| 272 | T | 71.1 | Confident | 65 | Low | 79 Ų | 79 | 54.4 Ų | 54.4 | 49% | 0.485 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 176.3 | 48.7 | 0 | 0 | 0 | 0 | 112.3 | V268 S269 I270 L275 A276 | V268-T272 PolarHBondContact O-N 3.27Å; V268-T272 PolarHBondContact O-OG1 2.87Å; S269-T272 VanDerWaalsContact CA-OG1 3.3Å; S269-T272 WeakPolarHBondContact CA-OG1 3.49Å; S269-T272 PolarHBondContact O-N 2.9Å; S269-T272 PolarHBondContact O-OG1 3.37Å; I270-T272 PolarHBondContact O-N 2.58Å; T272-L275 PolarHBondContact O-N 3.41Å; T272-A276 VanDerWaalsContact O-CB 3.28Å; T272-A276 WeakPolarHBondContact O-CB 3.44Å; T272-A276 PolarHBondContact O-N 2.65Å |
| 273 | T | 73.5 | Confident | 67.3 | Low | 17 Ų | 17 | 50.6 Ų | 50.6 | 10% | 0.104 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 177 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | I174 S269 I270 L275 A276 I277 | I174-T273 HydrophobicContact CB-CG2 4.38Å; I174-T273 HydrophobicContact CD1-CG2 3.41Å; I174-T273 VanDerWaalsContact CD1-CG2 3.41Å; I174-T273 HydrophobicContact CG1-CG2 4.48Å; I174-T273 HydrophobicContact CG2-CG2 4.16Å; S269-T273 PolarHBondContact O-N 3.21Å; S269-T273 PolarHBondContact O-OG1 2.82Å; I270-T273 PolarHBondContact O-N 2.85Å; T273-L275 PolarHBondContact O-N 3.21Å; T273-A276 WeakPolarHBondContact O-CB 3.45Å; T273-A276 PolarHBondContact O-N 3.37Å; T273-I277 HydrophobicContact CG2-CD1 4.24Å; T273-I277 WeakPolarHBondContact O-CG1 3.1Å; T273-I277 PolarHBondContact O-N 3.41Å |
| 274 | C | 74.4 | Confident | 69.1 | Low | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.027 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62 | -43.2 | 176 | -69.5 | 0 | 0 | 0 | 0 | 112 | Y206 H209 N210 I270 A276 I277 V278 | Y206-C274 HydrophobicContact CD2-CB 4.3Å; Y206-C274 HydrophobicContact CE2-CB 4.12Å; H209-C274 VanDerWaalsContact CB-SG 3.54Å; N210-C274 PolarHBondContact OD1-SG 3.23Å; N210-C274 VanDerWaalsContact OD1-SG 3.4Å; I270-C274 PolarHBondContact O-N 3.33Å; I270-C274 PolarHBondContact O-SG 2.77Å; C274-A276 VanDerWaalsContact C-N 3.35Å; C274-A276 PolarHBondContact O-N 2.91Å; C274-I277 PolarHBondContact O-N 3.5Å; C274-V278 WeakPolarHBondContact O-CB 3.45Å; C274-V278 VanDerWaalsContact O-CG2 3.26Å; C274-V278 WeakPolarHBondContact O-CG2 3.46Å; C274-V278 PolarHBondContact O-N 2.97Å |
| 275 | L | 75.8 | Confident | 70.9 | Confident | 70 Ų | 70 | 41.3 Ų | 41.3 | 37% | 0.366 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.5 | -44.6 | 175.2 | -83 | 167.1 | 0 | 0 | 0 | 112.1 | N271 T272 T273 V278 E279 Y340 | N271-L275 WeakPolarHBondContact O-CB 3.43Å; N271-L275 WeakPolarHBondContact O-CD1 3.37Å; N271-L275 VanDerWaalsContact O-CG 3.29Å; N271-L275 WeakPolarHBondContact O-CG 3.41Å; N271-L275 PolarHBondContact O-N 3.02Å; T272-L275 PolarHBondContact O-N 3.41Å; T273-L275 PolarHBondContact O-N 3.21Å; L275-V278 PolarHBondContact O-N 3.18Å; L275-E279 PolarHBondContact O-N 3.24Å; L275-Y340 HydrophobicContact CD1-CE1 4.03Å; L275-Y340 HydrophobicContact CD2-CD1 3.44Å; L275-Y340 VanDerWaalsContact CD2-CD1 3.44Å; L275-Y340 HydrophobicContact CD2-CE1 3.7Å; L275-Y340 HydrophobicContact CG-CD1 3.81Å; L275-Y340 HydrophobicContact CG-CE1 3.79Å |
| 276 | A | 80.4 | Confident | 72.6 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 13% | 0.132 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.3 | -48.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I174 V178 T272 T273 C274 V278 E279 I280 | I174-A276 HydrophobicContact CG2-CB 3.58Å; V178-A276 HydrophobicContact CG2-CB 3.47Å; V178-A276 VanDerWaalsContact CG2-CB 3.47Å; T272-A276 VanDerWaalsContact O-CB 3.28Å; T272-A276 WeakPolarHBondContact O-CB 3.44Å; T272-A276 PolarHBondContact O-N 2.65Å; T273-A276 WeakPolarHBondContact O-CB 3.45Å; T273-A276 PolarHBondContact O-N 3.37Å; C274-A276 VanDerWaalsContact C-N 3.35Å; C274-A276 PolarHBondContact O-N 2.91Å; A276-V278 VanDerWaalsContact C-N 3.34Å; A276-V278 PolarHBondContact O-N 3.15Å; A276-E279 PolarHBondContact O-N 3.45Å; A276-I280 PolarHBondContact O-N 3.33Å |
| 277 | I | 83.3 | Confident | 74 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 176.8 | -64.7 | 165 | 0 | 0 | 0 | 110.7 | I174 L202 I205 Y206 T273 C274 E279 I280 L281 | I174-I277 HydrophobicContact CD1-CD1 3.85Å; I174-I277 HydrophobicContact CD1-CG1 3.92Å; I174-I277 HydrophobicContact CG2-CG1 4.33Å; L202-I277 HydrophobicContact CB-CG2 4.16Å; L202-I277 HydrophobicContact CD2-CG1 4.48Å; I205-I277 HydrophobicContact CB-CD1 4.14Å; I205-I277 HydrophobicContact CG2-CD1 3.82Å; Y206-I277 HydrophobicContact CD2-CB 4.48Å; Y206-I277 HydrophobicContact CD2-CG2 4.32Å; T273-I277 HydrophobicContact CG2-CD1 4.24Å; T273-I277 WeakPolarHBondContact O-CG1 3.1Å; T273-I277 PolarHBondContact O-N 3.41Å; C274-I277 PolarHBondContact O-N 3.5Å; I277-E279 VanDerWaalsContact C-N 3.3Å; I277-E279 PolarHBondContact O-N 2.96Å; I277-I280 PolarHBondContact O-N 2.96Å; I277-I280 VanDerWaalsContact O-N 3.14Å; I277-L281 HydrophobicContact CG2-CD1 3.77Å; I277-L281 HydrophobicContact CG2-CG 4.06Å; I277-L281 WeakPolarHBondContact O-CG 3.3Å; I277-L281 PolarHBondContact O-N 3.37Å |
| 278 | V | 80.2 | Confident | 75.3 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.6 | -41.1 | 177.5 | 163.5 | 0 | 0 | 0 | 0 | 111.5 | Y206 C274 L275 A276 I280 L281 K282 Y340 F345 | Y206-V278 HydrophobicContact CD2-CG2 4.34Å; Y206-V278 HydrophobicContact CE2-CG2 3.67Å; C274-V278 WeakPolarHBondContact O-CB 3.45Å; C274-V278 VanDerWaalsContact O-CG2 3.26Å; C274-V278 WeakPolarHBondContact O-CG2 3.46Å; C274-V278 PolarHBondContact O-N 2.97Å; L275-V278 PolarHBondContact O-N 3.18Å; A276-V278 VanDerWaalsContact C-N 3.34Å; A276-V278 PolarHBondContact O-N 3.15Å; V278-I280 VanDerWaalsContact C-N 3.35Å; V278-I280 PolarHBondContact O-N 2.87Å; V278-L281 PolarHBondContact O-N 3.32Å; V278-K282 HydrophobicContact CG1-CD 4.17Å; V278-K282 VanDerWaalsContact CG1-CE 3.48Å; V278-K282 HydrophobicContact CG1-CG 4.35Å; V278-K282 WeakPolarHBondContact O-CB 3.49Å; V278-K282 VanDerWaalsContact O-CG 3.24Å; V278-K282 WeakPolarHBondContact O-CG 3.37Å; V278-K282 PolarHBondContact O-N 3.33Å; V278-Y340 VanDerWaalsContact CG1-O 3.29Å; V278-Y340 WeakPolarHBondContact CG1-O 3.31Å; V278-F345 HydrophobicContact CG1-CE2 4.14Å; V278-F345 HydrophobicContact CG1-CZ 4.49Å |
| 279 | E | 81 | Confident | 76.5 | Confident | 80 Ų | 80 | 42.1 Ų | 42.1 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.4 | -38.9 | 176.3 | -74 | -57.5 | 128.9 | 0 | 0 | 112.6 | L275 A276 I277 K282 K283 | L275-E279 PolarHBondContact O-N 3.24Å; A276-E279 PolarHBondContact O-N 3.45Å; I277-E279 VanDerWaalsContact C-N 3.3Å; I277-E279 PolarHBondContact O-N 2.96Å; E279-K282 PolarHBondContact O-N 3.12Å; E279-K282 IonicContact OE1-NZ 3.56Å; E279-K282 PolarHBondContact OE1-NZ 3.45Å; E279-K283 PolarHBondContact O-N 3.42Å |
| 280 | I | 84 | Confident | 77.4 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.1 | -49 | 174.7 | -62 | 163.5 | 0 | 0 | 0 | 110.4 | I177 V178 I185 L202 A276 I277 V278 K282 K283 L284 | I177-I280 HydrophobicContact CB-CD1 4.45Å; I177-I280 HydrophobicContact CG2-CD1 3.71Å; V178-I280 HydrophobicContact CG2-CD1 3.65Å; V178-I280 HydrophobicContact CG2-CG1 3.95Å; I185-I280 HydrophobicContact CD1-CG2 4.4Å; L202-I280 HydrophobicContact CD1-CB 4.45Å; L202-I280 HydrophobicContact CD1-CG2 3.7Å; A276-I280 PolarHBondContact O-N 3.33Å; I277-I280 PolarHBondContact O-N 2.96Å; I277-I280 VanDerWaalsContact O-N 3.14Å; V278-I280 VanDerWaalsContact C-N 3.35Å; V278-I280 PolarHBondContact O-N 2.87Å; I280-K282 VanDerWaalsContact C-N 3.27Å; I280-K282 PolarHBondContact O-N 2.95Å; I280-K283 PolarHBondContact O-N 3.2Å; I280-K283 VanDerWaalsContact O-N 3.12Å; I280-L284 HydrophobicContact CG2-CD1 4.1Å; I280-L284 WeakPolarHBondContact O-CG 3.42Å; I280-L284 PolarHBondContact O-N 3.47Å |
| 281 | L | 83.1 | Confident | 78.1 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.9 | -36.3 | 178.4 | -67.9 | 175.5 | 0 | 0 | 0 | 111.5 | I199 L203 I277 V278 K283 L284 V285 F345 | I199-L281 HydrophobicContact CG2-CD2 4.26Å; L203-L281 HydrophobicContact CD2-CD1 3.9Å; L203-L281 HydrophobicContact CD2-CD2 4.39Å; I277-L281 HydrophobicContact CG2-CD1 3.77Å; I277-L281 HydrophobicContact CG2-CG 4.06Å; I277-L281 WeakPolarHBondContact O-CG 3.3Å; I277-L281 PolarHBondContact O-N 3.37Å; V278-L281 PolarHBondContact O-N 3.32Å; L281-K283 PolarHBondContact O-N 2.94Å; L281-L284 HydrophobicContact CD2-CD1 4.17Å; L281-L284 PolarHBondContact O-N 3.42Å; L281-V285 WeakPolarHBondContact O-CG2 3.15Å; L281-V285 PolarHBondContact O-N 3.46Å; L281-F345 VanDerWaalsContact C-CE1 3.49Å; L281-F345 HydrophobicContact CB-CE1 3.46Å; L281-F345 VanDerWaalsContact CB-CE1 3.46Å; L281-F345 HydrophobicContact CB-CZ 3.65Å |
| 282 | K | 81.5 | Confident | 78.5 | Confident | 35 Ų | 35 | 41 Ų | 41 | 15% | 0.152 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.4 | -44.6 | 175.2 | -81.3 | 172.7 | -172.5 | 164.6 | 0 | 110.7 | V278 E279 I280 R286 P342 F345 | V278-K282 HydrophobicContact CG1-CD 4.17Å; V278-K282 VanDerWaalsContact CG1-CE 3.48Å; V278-K282 HydrophobicContact CG1-CG 4.35Å; V278-K282 WeakPolarHBondContact O-CB 3.49Å; V278-K282 VanDerWaalsContact O-CG 3.24Å; V278-K282 WeakPolarHBondContact O-CG 3.37Å; V278-K282 PolarHBondContact O-N 3.33Å; E279-K282 PolarHBondContact O-N 3.12Å; E279-K282 IonicContact OE1-NZ 3.56Å; E279-K282 PolarHBondContact OE1-NZ 3.45Å; I280-K282 VanDerWaalsContact C-N 3.27Å; I280-K282 PolarHBondContact O-N 2.95Å; K282-R286 WeakPolarHBondContact O-CB 3.21Å; K282-R286 VanDerWaalsContact O-CG 3.24Å; K282-R286 WeakPolarHBondContact O-CG 2.91Å; K282-R286 PolarHBondContact O-N 3.29Å; K282-P342 HydrophobicContact CD-CG 4.26Å; K282-P342 HydrophobicContact CG-CG 4.32Å; K282-F345 HydrophobicContact CB-CZ 4.14Å; K282-F345 HydrophobicContact CG-CE2 3.59Å; K282-F345 HydrophobicContact CG-CZ 3.51Å; K282-F345 VanDerWaalsContact N-CZ 3.34Å |
| 283 | K | 82 | Confident | 78.5 | Confident | 77 Ų | 77 | 37.8 Ų | 37.8 | 34% | 0.335 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.4 | -45 | 177.2 | -72.4 | 178.7 | -175.9 | -179.9 | 0 | 111.1 | S181 I185 E279 I280 L281 V285 R286 L287 | S181-K283 VanDerWaalsContact OG-CD 3.22Å; S181-K283 WeakPolarHBondContact OG-CD 3.24Å; S181-K283 PolarHBondContact OG-NZ 3.31Å; I185-K283 HydrophobicContact CD1-CB 3.73Å; I185-K283 HydrophobicContact CD1-CD 4.38Å; E279-K283 PolarHBondContact O-N 3.42Å; I280-K283 PolarHBondContact O-N 3.2Å; I280-K283 VanDerWaalsContact O-N 3.12Å; L281-K283 PolarHBondContact O-N 2.94Å; K283-V285 PolarHBondContact O-N 3Å; K283-R286 PolarHBondContact O-N 3.35Å; K283-L287 WeakPolarHBondContact O-CG 3.22Å; K283-L287 PolarHBondContact O-N 2.95Å |
| 284 | L | 82.8 | Confident | 78.1 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 177 | -71.9 | 166.1 | 0 | 0 | 0 | 112.5 | I185 L195 I199 I280 L281 L287 G288 L289 | I185-L284 HydrophobicContact CD1-CD2 4.18Å; I185-L284 HydrophobicContact CD1-CG 4.12Å; I185-L284 HydrophobicContact CG1-CD2 3.96Å; I185-L284 HydrophobicContact CG1-CG 4.39Å; I185-L284 HydrophobicContact CG2-CD2 4.03Å; L195-L284 HydrophobicContact CD1-CD2 3.96Å; L195-L284 HydrophobicContact CD2-CD2 4.47Å; I199-L284 HydrophobicContact CD1-CD1 4.19Å; I199-L284 HydrophobicContact CD1-CD2 4.41Å; I199-L284 HydrophobicContact CG1-CD1 3.8Å; I280-L284 HydrophobicContact CG2-CD1 4.1Å; I280-L284 WeakPolarHBondContact O-CG 3.42Å; I280-L284 PolarHBondContact O-N 3.47Å; L281-L284 HydrophobicContact CD2-CD1 4.17Å; L281-L284 PolarHBondContact O-N 3.42Å; L284-L287 PolarHBondContact O-N 3.46Å; L284-G288 PolarHBondContact O-N 3.33Å; L284-L289 HydrophobicContact CD2-CB 4.12Å; L284-L289 HydrophobicContact CD2-CD1 4.06Å; L284-L289 PolarHBondContact O-N 3.27Å |
| 285 | V | 80.7 | Confident | 77.3 | Confident | 26 Ų | 26 | 46.6 Ų | 46.6 | 16% | 0.158 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.5 | -42.6 | 177.2 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | L281 K283 L287 G288 A290 F345 C347 L348 | L281-V285 WeakPolarHBondContact O-CG2 3.15Å; L281-V285 PolarHBondContact O-N 3.46Å; K283-V285 PolarHBondContact O-N 3Å; V285-L287 VanDerWaalsContact C-N 3.27Å; V285-L287 PolarHBondContact O-N 3.08Å; V285-G288 PolarHBondContact O-N 2.85Å; V285-G288 VanDerWaalsContact O-N 3.11Å; V285-A290 HydrophobicContact CG2-CB 4.27Å; V285-F345 HydrophobicContact CG2-CD1 3.87Å; V285-F345 HydrophobicContact CG2-CE1 3.79Å; V285-C347 VanDerWaalsContact CG1-SG 3.54Å; V285-L348 HydrophobicContact CG2-CD1 4.34Å; V285-L348 HydrophobicContact CG2-CD2 4.11Å; V285-L348 HydrophobicContact CG2-CG 4.02Å |
| 286 | R | 79.9 | Confident | 76.4 | Confident | 174 Ų | 174 | 46.8 Ų | 46.8 | 66% | 0.657 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.5 | -32.5 | 177.5 | -77.6 | 175.7 | -178.3 | 176.5 | 1.1 | 113.3 | K282 K283 G288 | K282-R286 WeakPolarHBondContact O-CB 3.21Å; K282-R286 VanDerWaalsContact O-CG 3.24Å; K282-R286 WeakPolarHBondContact O-CG 2.91Å; K282-R286 PolarHBondContact O-N 3.29Å; K283-R286 PolarHBondContact O-N 3.35Å; R286-G288 VanDerWaalsContact C-N 3.3Å |
| 287 | L | 79.7 | Confident | 75.2 | Confident | 103 Ų | 103 | 48.4 Ų | 48.4 | 54% | 0.539 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -1.1 | 177.5 | -68 | 168.2 | 0 | 0 | 0 | 113.2 | I185 K283 L284 V285 L289 | I185-L287 HydrophobicContact CG2-CD1 3.55Å; K283-L287 WeakPolarHBondContact O-CG 3.22Å; K283-L287 PolarHBondContact O-N 2.95Å; L284-L287 PolarHBondContact O-N 3.46Å; V285-L287 VanDerWaalsContact C-N 3.27Å; V285-L287 PolarHBondContact O-N 3.08Å; L287-L289 HydrophobicContact CB-CD1 3.99Å; L287-L289 HydrophobicContact CB-CG 4.02Å; L287-L289 HydrophobicContact CD1-CD1 4.23Å; L287-L289 PolarHBondContact O-N 3.18Å |
| 288 | G | 76 | Confident | 74.4 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 42% | 0.423 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 6.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L284 V285 R286 A290 D291 | L284-G288 PolarHBondContact O-N 3.33Å; V285-G288 PolarHBondContact O-N 2.85Å; V285-G288 VanDerWaalsContact O-N 3.11Å; R286-G288 VanDerWaalsContact C-N 3.3Å; G288-A290 PolarHBondContact O-N 3.35Å; G288-D291 PolarHBondContact O-N 2.96Å |
| 289 | L | 78.5 | Confident | 74 | Confident | 28 Ų | 28 | 53 Ų | 53 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -75 | -6.8 | -177.1 | -65 | 172.3 | 0 | 0 | 0 | 113.4 | I185 L195 L284 L287 D291 C292 | I185-L289 HydrophobicContact CG2-CD1 3.42Å; I185-L289 VanDerWaalsContact CG2-CD1 3.42Å; L195-L289 HydrophobicContact CD2-CB 4.05Å; L195-L289 HydrophobicContact CD2-CD1 4.12Å; L195-L289 HydrophobicContact CD2-CD2 4.18Å; L195-L289 HydrophobicContact CD2-CG 4.35Å; L284-L289 HydrophobicContact CD2-CB 4.12Å; L284-L289 HydrophobicContact CD2-CD1 4.06Å; L284-L289 PolarHBondContact O-N 3.27Å; L287-L289 HydrophobicContact CB-CD1 3.99Å; L287-L289 HydrophobicContact CB-CG 4.02Å; L287-L289 HydrophobicContact CD1-CD1 4.23Å; L287-L289 PolarHBondContact O-N 3.18Å; L289-D291 PolarHBondContact O-N 3.28Å; L289-C292 WeakPolarHBondContact O-CB 3.15Å; L289-C292 PolarHBondContact O-N 3.14Å; L289-C292 VanDerWaalsContact O-N 3.12Å; L289-C292 PolarHBondContact O-SG 2.61Å; L289-C292 VanDerWaalsContact O-SG 3.37Å |
| 290 | A | 74.3 | Confident | 73.5 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -58 | -28.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | V285 G288 C292 L293 L348 V351 | V285-A290 HydrophobicContact CG2-CB 4.27Å; G288-A290 PolarHBondContact O-N 3.35Å; A290-C292 PolarHBondContact O-N 3.3Å; A290-C292 VanDerWaalsContact O-N 3.11Å; A290-L293 WeakPolarHBondContact O-CB 3.43Å; A290-L293 PolarHBondContact O-N 2.86Å; A290-L293 VanDerWaalsContact O-N 3.14Å; A290-L348 HydrophobicContact CB-CD2 3.89Å; A290-V351 WeakPolarHBondContact O-CG1 3.29Å |
| 291 | D | 72.5 | Confident | 72.9 | Confident | 81 Ų | 81 | 50.3 Ų | 50.3 | 43% | 0.433 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -62.4 | -16.9 | 177.2 | -75 | -27 | 0 | 0 | 0 | 113.7 | G288 L289 L293 K294 | G288-D291 PolarHBondContact O-N 2.96Å; L289-D291 PolarHBondContact O-N 3.28Å; D291-L293 PolarHBondContact O-N 2.98Å; D291-K294 VanDerWaalsContact O-CB 3.28Å; D291-K294 WeakPolarHBondContact O-CB 3.32Å; D291-K294 PolarHBondContact O-N 3.47Å; D291-K294 WeakPolarHBondContact OD1-CE 3.43Å; D291-K294 IonicContact OD1-NZ 3.53Å; D291-K294 PolarHBondContact OD1-NZ 3.48Å |
| 292 | C | 73.7 | Confident | 71.8 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 7% | 0.068 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -61.6 | -29 | 173.8 | -63.6 | 0 | 0 | 0 | 0 | 112.9 | P192 L289 A290 K294 Q295 | P192-C292 HydrophobicContact CB-CB 4.37Å; L289-C292 WeakPolarHBondContact O-CB 3.15Å; L289-C292 PolarHBondContact O-N 3.14Å; L289-C292 VanDerWaalsContact O-N 3.12Å; L289-C292 PolarHBondContact O-SG 2.61Å; L289-C292 VanDerWaalsContact O-SG 3.37Å; A290-C292 PolarHBondContact O-N 3.3Å; A290-C292 VanDerWaalsContact O-N 3.11Å; C292-K294 PolarHBondContact O-N 3.26Å; C292-Q295 PolarHBondContact O-N 3.32Å |
| 293 | L | 72 | Confident | 71 | Confident | 13 Ų | 13 | 57 Ų | 57 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -69 | -16.2 | 173.5 | -67.7 | 173.9 | 0 | 0 | 0 | 112.5 | N196 I199 I200 A290 D291 L321 L348 V351 T352 | N196-L293 WeakPolarHBondContact OD1-CD2 3.35Å; I199-L293 HydrophobicContact CB-CD2 4.02Å; I199-L293 HydrophobicContact CG2-CD1 3.91Å; I199-L293 HydrophobicContact CG2-CD2 3.78Å; I199-L293 HydrophobicContact CG2-CG 4.05Å; I200-L293 HydrophobicContact CG1-CD2 3.91Å; A290-L293 WeakPolarHBondContact O-CB 3.43Å; A290-L293 PolarHBondContact O-N 2.86Å; A290-L293 VanDerWaalsContact O-N 3.14Å; D291-L293 PolarHBondContact O-N 2.98Å; L293-L321 HydrophobicContact CD2-CD2 4.16Å; L293-L348 HydrophobicContact CD1-CD2 4.01Å; L293-V351 HydrophobicContact CB-CG1 3.24Å; L293-V351 HydrophobicContact CD1-CG1 3.61Å; L293-V351 HydrophobicContact CG-CG1 4.03Å; L293-T352 HydrophobicContact CD1-CG2 3.82Å |
| 294 | K | 65 | Low | 70.5 | Confident | 110 Ų | 110 | 56 Ų | 56 | 48% | 0.478 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -83.7 | -18.1 | 174.6 | -65.8 | 174 | 172.4 | 151.5 | 0 | 113.2 | D291 C292 V351 | D291-K294 VanDerWaalsContact O-CB 3.28Å; D291-K294 WeakPolarHBondContact O-CB 3.32Å; D291-K294 PolarHBondContact O-N 3.47Å; D291-K294 WeakPolarHBondContact OD1-CE 3.43Å; D291-K294 IonicContact OD1-NZ 3.53Å; D291-K294 PolarHBondContact OD1-NZ 3.48Å; C292-K294 PolarHBondContact O-N 3.26Å; K294-V351 HydrophobicContact CD-CG2 4.49Å; K294-V351 HydrophobicContact CG-CG1 4.22Å; K294-V351 HydrophobicContact CG-CG2 4.31Å |
| 295 | Q | 57.3 | Low | 70 | Confident | 96 Ų | 96 | 56.5 Ų | 56.5 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -73.7 | 160 | -174 | -65.3 | -174.9 | -1.2 | 0 | 0 | 111.3 | C292 | C292-Q295 PolarHBondContact O-N 3.32Š|
| 296 | S | 56.4 | Low | 69.7 | Low | 73 Ų | 73 | 57 Ų | 57 | 51% | 0.51 | 31% | 0.311 | S | S | . | . | trans | -41 | 143.8 | -164 | 31.8 | 0 | 0 | 0 | 0 | 115.1 | D298 | S296-D298 PolarHBondContact O-N 3.12Š| ||
| 297 | P | 56.3 | Low | 69.4 | Low | 51 Ų | 51 | 55.8 Ų | 55.8 | 33% | 0.331 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -73.4 | 25.7 | -168.6 | 35.2 | -39.1 | 0 | 0 | 0 | 113.7 | N314 R317 H356 | P297-N314 PolarHBondContact O-OD1 3.32Å; P297-R317 PolarHBondContact O-NH1 3.11Å; P297-R317 PolarHBondContact O-NH2 3.47Å; P297-H356 HydrophobicContact CB-CB 4.31Å; P297-H356 HydrophobicContact CG-CB 4.42Å |
| 298 | D | 64.8 | Low | 69.1 | Low | 92 Ų | 92 | 57.5 Ų | 57.5 | 49% | 0.492 | 32% | 0.316 | S | S | . | . | trans | -108.6 | 118 | -167.9 | -86.9 | -1.5 | 0 | 0 | 0 | 107.8 | S296 I302 | S296-D298 PolarHBondContact O-N 3.12Å; D298-I302 VanDerWaalsContact CA-CD1 3.47Å; D298-I302 HydrophobicContact CB-CD1 3.16Å | ||
| 299 | L | 72.7 | Confident | 69.2 | Low | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | trans | -60.9 | 141.9 | 174.3 | -71.6 | 163.9 | 0 | 0 | 0 | 109 | L145 L197 I301 I302 I310 F313 N314 | L145-L299 HydrophobicContact CD1-CD1 4.18Å; L145-L299 HydrophobicContact CD1-CD2 4.35Å; L145-L299 HydrophobicContact CD2-CD2 4.03Å; L197-L299 HydrophobicContact CD1-CD2 4.05Å; L197-L299 HydrophobicContact CD2-CD2 3.57Å; L197-L299 HydrophobicContact CG-CD2 4.1Å; L299-I301 PolarHBondContact O-N 3.24Å; L299-I302 WeakPolarHBondContact O-CD1 3.47Å; L299-I302 WeakPolarHBondContact O-CG1 3.11Å; L299-I302 PolarHBondContact O-N 3.37Å; L299-I310 HydrophobicContact CD1-CG2 4.41Å; L299-F313 HydrophobicContact CD1-CB 3.46Å; L299-F313 VanDerWaalsContact CD1-CB 3.46Å; L299-N314 WeakPolarHBondContact CD1-OD1 3.44Å; L299-N314 VanDerWaalsContact CG-OD1 3.3Å; L299-N314 WeakPolarHBondContact CG-OD1 3.39Å | ||
| 300 | P | 71.5 | Confident | 69.1 | Low | 23 Ų | 23 | 55.8 Ų | 55.8 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 4.2 | -179 | 25.2 | -34 | 0 | 0 | 0 | 114.6 | E193 H194 L197 | E193-P300 HydrophobicContact CB-CB 4.09Å; H194-P300 WeakPolarHBondContact CE1-CB 3.17Å; L197-P300 HydrophobicContact CD1-CG 3.67Å |
| 301 | I | 70.3 | Confident | 68.9 | Low | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 1 | -170.4 | -54.4 | -171.5 | 0 | 0 | 0 | 110.8 | L145 L299 S303 F304 A305 | L145-I301 HydrophobicContact CD1-CD1 3.4Å; L145-I301 HydrophobicContact CD1-CG1 4.36Å; L145-I301 HydrophobicContact CG-CD1 4.15Å; L299-I301 PolarHBondContact O-N 3.24Å; I301-S303 PolarHBondContact O-N 3.11Å; I301-F304 HydrophobicContact CB-CE1 4.11Å; I301-F304 HydrophobicContact CB-CE2 4.49Å; I301-F304 HydrophobicContact CB-CZ 3.82Å; I301-F304 HydrophobicContact CG1-CZ 4.24Å; I301-F304 HydrophobicContact CG2-CD2 4.18Å; I301-F304 HydrophobicContact CG2-CE1 3.72Å; I301-F304 HydrophobicContact CG2-CE2 3.29Å; I301-F304 HydrophobicContact CG2-CZ 3.04Å; I301-F304 WeakPolarHBondContact O-CD1 3.02Å; I301-F304 PolarHBondContact O-N 3.23Å; I301-A305 HydrophobicContact CG2-CB 3.84Å; I301-A305 PolarHBondContact O-N 3.36Å |
| 302 | I | 61.2 | Low | 68.9 | Low | 72 Ų | 72 | 61.7 Ų | 61.7 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.4 | -170.8 | -73.1 | 156.5 | 0 | 0 | 0 | 114.6 | D298 L299 F304 I310 | D298-I302 VanDerWaalsContact CA-CD1 3.47Å; D298-I302 HydrophobicContact CB-CD1 3.16Å; L299-I302 WeakPolarHBondContact O-CD1 3.47Å; L299-I302 WeakPolarHBondContact O-CG1 3.11Å; L299-I302 PolarHBondContact O-N 3.37Å; I302-F304 VanDerWaalsContact C-N 3.27Å; I302-F304 PolarHBondContact O-N 3.3Å; I302-I310 HydrophobicContact CB-CD1 4.44Å; I302-I310 HydrophobicContact CG1-CD1 4.34Å; I302-I310 HydrophobicContact CG1-CG2 3.98Å |
| 303 | S | 64.3 | Low | 69.1 | Low | 109 Ų | 109 | 61.2 Ų | 61.2 | 76% | 0.762 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -16.9 | -171.9 | 57.6 | 0 | 0 | 0 | 0 | 114.9 | I301 | I301-S303 PolarHBondContact O-N 3.11Š|
| 304 | F | 70 | Confident | 69.2 | Low | 56 Ų | 56 | 62 Ų | 62 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.7 | -15.6 | -172.6 | 60.8 | -91.5 | 0 | 0 | 0 | 115.3 | Y98 I301 I302 | Y98-F304 HydrophobicContact CD1-CD2 4.24Å; Y98-F304 HydrophobicContact CD1-CE1 4.21Å; Y98-F304 AromaticContact CD1-CE2 3.44Å; Y98-F304 HydrophobicContact CD1-CE2 3.44Å; Y98-F304 VanDerWaalsContact CD1-CE2 3.44Å; Y98-F304 AromaticContact CD1-CZ 3.39Å; Y98-F304 HydrophobicContact CD1-CZ 3.39Å; Y98-F304 HydrophobicContact CD2-CB 4.07Å; Y98-F304 AromaticContact CD2-CD1 3.67Å; Y98-F304 HydrophobicContact CD2-CD1 3.67Å; Y98-F304 AromaticContact CD2-CD2 3.17Å; Y98-F304 HydrophobicContact CD2-CD2 3.17Å; Y98-F304 AromaticContact CD2-CE1 3.77Å; Y98-F304 HydrophobicContact CD2-CE1 3.77Å; Y98-F304 AromaticContact CD2-CE2 3.27Å; Y98-F304 HydrophobicContact CD2-CE2 3.27Å; Y98-F304 AromaticContact CD2-CG 3.35Å; Y98-F304 HydrophobicContact CD2-CG 3.35Å; Y98-F304 AromaticContact CD2-CZ 3.53Å; Y98-F304 HydrophobicContact CD2-CZ 3.53Å; Y98-F304 AromaticContact CE1-CE1 3.68Å; Y98-F304 HydrophobicContact CE1-CE1 3.68Å; Y98-F304 AromaticContact CE1-CE2 3.8Å; Y98-F304 HydrophobicContact CE1-CE2 3.8Å; Y98-F304 AromaticContact CE1-CZ 3.21Å; Y98-F304 HydrophobicContact CE1-CZ 3.21Å; Y98-F304 HydrophobicContact CE2-CB 4.17Å; Y98-F304 AromaticContact CE2-CD1 3.11Å; Y98-F304 HydrophobicContact CE2-CD1 3.11Å; Y98-F304 AromaticContact CE2-CD2 3.6Å; Y98-F304 HydrophobicContact CE2-CD2 3.6Å; Y98-F304 AromaticContact CE2-CE1 3.1Å; Y98-F304 HydrophobicContact CE2-CE1 3.1Å; Y98-F304 AromaticContact CE2-CE2 3.58Å; Y98-F304 HydrophobicContact CE2-CE2 3.58Å; Y98-F304 AromaticContact CE2-CG 3.35Å; Y98-F304 HydrophobicContact CE2-CG 3.35Å; Y98-F304 AromaticContact CE2-CZ 3.29Å; Y98-F304 HydrophobicContact CE2-CZ 3.29Å; Y98-F304 AromaticContact CG-CD2 3.52Å; Y98-F304 HydrophobicContact CG-CD2 3.52Å; Y98-F304 HydrophobicContact CG-CE1 4.26Å; Y98-F304 AromaticContact CG-CE2 3.18Å; Y98-F304 HydrophobicContact CG-CE2 3.18Å; Y98-F304 HydrophobicContact CG-CG 4.15Å; Y98-F304 AromaticContact CG-CZ 3.56Å; Y98-F304 HydrophobicContact CG-CZ 3.56Å; Y98-F304 AromaticContact CZ-CD1 3.64Å; Y98-F304 AromaticContact CZ-CE1 3.07Å; Y98-F304 AromaticContact CZ-CE2 3.85Å; Y98-F304 AromaticContact CZ-CZ 3.15Å; Y98-F304 VanDerWaalsContact OH-CE1 3.26Å; Y98-F304 WeakPolarHBondContact OH-CE1 3.38Å; I301-F304 HydrophobicContact CB-CE1 4.11Å; I301-F304 HydrophobicContact CB-CE2 4.49Å; I301-F304 HydrophobicContact CB-CZ 3.82Å; I301-F304 HydrophobicContact CG1-CZ 4.24Å; I301-F304 HydrophobicContact CG2-CD2 4.18Å; I301-F304 HydrophobicContact CG2-CE1 3.72Å; I301-F304 HydrophobicContact CG2-CE2 3.29Å; I301-F304 HydrophobicContact CG2-CZ 3.04Å; I301-F304 WeakPolarHBondContact O-CD1 3.02Å; I301-F304 PolarHBondContact O-N 3.23Å; I302-F304 VanDerWaalsContact C-N 3.27Å; I302-F304 PolarHBondContact O-N 3.3Å |
| 305 | A | 72.3 | Confident | 69.2 | Low | 13 Ų | 13 | 63 Ų | 63 | 11% | 0.107 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -83.5 | 152.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F101 I301 K307 I310 | F101-A305 HydrophobicContact CB-CB 3.78Å; F101-A305 WeakPolarHBondContact O-CA 3.35Å; I301-A305 HydrophobicContact CG2-CB 3.84Å; I301-A305 PolarHBondContact O-N 3.36Å; A305-K307 PolarHBondContact O-N 3.35Å; A305-I310 HydrophobicContact CB-CD1 3.73Å; A305-I310 HydrophobicContact CB-CG1 3.58Å; A305-I310 VanDerWaalsContact O-CD1 3.26Å; A305-I310 WeakPolarHBondContact O-CD1 3.47Å |
| 306 | D | 74.8 | Confident | 69.8 | Low | 37 Ų | 37 | 58.6 Ų | 58.6 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | trans | -57.8 | 132.6 | 172.2 | -176.5 | -35.7 | 0 | 0 | 0 | 109.7 | F101 E103 Q308 I309 I310 | F101-D306 PolarHBondContact O-N 3.26Å; F101-D306 VanDerWaalsContact O-N 3.14Å; E103-D306 WeakPolarHBondContact CG-OD2 3.07Å; D306-Q308 PolarHBondContact O-N 3.33Å; D306-Q308 WeakPolarHBondContact OD1-CB 3.36Å; D306-Q308 PolarHBondContact OD1-N 2.88Å; D306-I309 HydrophobicContact CB-CB 4.21Å; D306-I309 HydrophobicContact CB-CD1 3.88Å; D306-I309 HydrophobicContact CB-CG1 3.93Å; D306-I309 WeakPolarHBondContact O-CA 3.42Å; D306-I309 WeakPolarHBondContact O-CB 3.18Å; D306-I309 PolarHBondContact O-N 2.71Å; D306-I310 WeakPolarHBondContact O-CG1 3.36Å; D306-I310 PolarHBondContact O-N 3.03Å | ||
| 307 | K | 74.8 | Confident | 70.8 | Confident | 149 Ų | 149 | 55.6 Ų | 55.6 | 65% | 0.648 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -51.9 | -40.8 | 178.8 | -169.1 | -178.6 | 179.8 | -168.8 | 0 | 112.5 | A305 I309 I310 E311 | A305-K307 PolarHBondContact O-N 3.35Å; K307-I309 VanDerWaalsContact C-N 3.34Å; K307-I309 PolarHBondContact O-N 3.15Å; K307-I310 PolarHBondContact O-N 3.44Å; K307-E311 WeakPolarHBondContact CE-OE1 3.4Å; K307-E311 IonicContact NZ-OE1 2.83Å; K307-E311 WeakPolarHBondContact O-CB 3.24Å; K307-E311 VanDerWaalsContact O-CG 3.28Å; K307-E311 WeakPolarHBondContact O-CG 3.49Å; K307-E311 PolarHBondContact O-N 3.13Å |
| 308 | Q | 73.4 | Confident | 71.3 | Confident | 139 Ų | 139 | 53.7 Ų | 53.7 | 65% | 0.65 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66.5 | -36.5 | 178.2 | -62.7 | -172.5 | 12.5 | 0 | 0 | 112.2 | D306 R312 | D306-Q308 PolarHBondContact O-N 3.33Å; D306-Q308 WeakPolarHBondContact OD1-CB 3.36Å; D306-Q308 PolarHBondContact OD1-N 2.88Å; Q308-R312 PolarHBondContact O-N 2.68Å |
| 309 | I | 76.7 | Confident | 71.4 | Confident | 16 Ų | 16 | 51.8 Ų | 51.8 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69 | -45.3 | 177.8 | -65.1 | 178.4 | 0 | 0 | 0 | 109.6 | F101 T102 F153 D306 K307 R312 F313 | F101-I309 HydrophobicContact CD1-CG2 3.98Å; T102-I309 WeakPolarHBondContact O-CD1 3.18Å; F153-I309 HydrophobicContact CE2-CG2 4.41Å; F153-I309 HydrophobicContact CZ-CB 4.34Å; F153-I309 HydrophobicContact CZ-CG1 4.13Å; F153-I309 HydrophobicContact CZ-CG2 4.08Å; D306-I309 HydrophobicContact CB-CB 4.21Å; D306-I309 HydrophobicContact CB-CD1 3.88Å; D306-I309 HydrophobicContact CB-CG1 3.93Å; D306-I309 WeakPolarHBondContact O-CA 3.42Å; D306-I309 WeakPolarHBondContact O-CB 3.18Å; D306-I309 PolarHBondContact O-N 2.71Å; K307-I309 VanDerWaalsContact C-N 3.34Å; K307-I309 PolarHBondContact O-N 3.15Å; I309-R312 PolarHBondContact O-N 3.11Å; I309-F313 HydrophobicContact CG2-CD2 3.68Å; I309-F313 HydrophobicContact CG2-CE2 3.6Å; I309-F313 VanDerWaalsContact O-CD2 3.32Å; I309-F313 WeakPolarHBondContact O-CD2 3.27Å; I309-F313 PolarHBondContact O-N 2.84Å |
| 310 | I | 76.3 | Confident | 71.4 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 9% | 0.087 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 177.1 | -64.9 | 160.7 | 0 | 0 | 0 | 110.9 | L299 I302 A305 D306 K307 R312 F313 N314 | L299-I310 HydrophobicContact CD1-CG2 4.41Å; I302-I310 HydrophobicContact CB-CD1 4.44Å; I302-I310 HydrophobicContact CG1-CD1 4.34Å; I302-I310 HydrophobicContact CG1-CG2 3.98Å; A305-I310 HydrophobicContact CB-CD1 3.73Å; A305-I310 HydrophobicContact CB-CG1 3.58Å; A305-I310 VanDerWaalsContact O-CD1 3.26Å; A305-I310 WeakPolarHBondContact O-CD1 3.47Å; D306-I310 WeakPolarHBondContact O-CG1 3.36Å; D306-I310 PolarHBondContact O-N 3.03Å; K307-I310 PolarHBondContact O-N 3.44Å; I310-R312 VanDerWaalsContact C-N 3.27Å; I310-R312 PolarHBondContact O-N 2.88Å; I310-F313 PolarHBondContact O-N 2.57Å; I310-N314 WeakPolarHBondContact O-CB 3.15Å; I310-N314 PolarHBondContact O-N 3.28Å |
| 311 | E | 70.7 | Confident | 71.5 | Confident | 92 Ų | 92 | 51.1 Ų | 51.1 | 43% | 0.43 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -56.9 | -41.6 | 178.9 | -78.3 | 173.2 | -173.9 | 0 | 0 | 111.6 | K307 N314 M315 | K307-E311 WeakPolarHBondContact CE-OE1 3.4Å; K307-E311 IonicContact NZ-OE1 2.83Å; K307-E311 WeakPolarHBondContact O-CB 3.24Å; K307-E311 VanDerWaalsContact O-CG 3.28Å; K307-E311 WeakPolarHBondContact O-CG 3.49Å; K307-E311 PolarHBondContact O-N 3.13Å; E311-N314 WeakPolarHBondContact O-CB 3.18Å; E311-N314 PolarHBondContact O-N 3Å; E311-M315 WeakPolarHBondContact O-CG 3.21Å; E311-M315 PolarHBondContact O-N 3.43Å; E311-M315 VanDerWaalsContact O-N 3.12Å |
| 312 | R | 71.6 | Confident | 71.1 | Confident | 119 Ų | 119 | 52.1 Ų | 52.1 | 45% | 0.449 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67 | -44.6 | 175.8 | -76.1 | -174 | 180 | -151.6 | 7.1 | 113 | A152 F153 Q308 I309 I310 N314 M315 V316 | A152-R312 PolarHBondContact O-NH1 3.44Å; F153-R312 VanDerWaalsContact CD1-NH1 3.28Å; F153-R312 HydrophobicContact CZ-CB 4.28Å; Q308-R312 PolarHBondContact O-N 2.68Å; I309-R312 PolarHBondContact O-N 3.11Å; I310-R312 VanDerWaalsContact C-N 3.27Å; I310-R312 PolarHBondContact O-N 2.88Å; R312-N314 VanDerWaalsContact C-N 3.28Å; R312-N314 PolarHBondContact O-N 3.13Å; R312-M315 WeakPolarHBondContact O-CB 3.32Å; R312-M315 PolarHBondContact O-N 3.49Å; R312-M315 VanDerWaalsContact O-N 3.15Å; R312-V316 WeakPolarHBondContact O-CG2 3.21Å; R312-V316 PolarHBondContact O-N 2.84Å |
| 313 | F | 79.2 | Confident | 71.4 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.6 | -31.3 | 177.5 | -79.8 | -63.1 | 0 | 0 | 0 | 112.6 | F101 L145 W148 W149 A152 F153 L299 I309 I310 V316 R317 | F101-F313 HydrophobicContact CD1-CD2 4.43Å; F101-F313 AromaticContact CD1-CE2 3.89Å; F101-F313 HydrophobicContact CD1-CE2 3.89Å; F101-F313 HydrophobicContact CE1-CD2 4.2Å; F101-F313 AromaticContact CE1-CE2 3.52Å; F101-F313 HydrophobicContact CE1-CE2 3.52Å; F101-F313 AromaticContact CE1-CZ 3.99Å; F101-F313 HydrophobicContact CE1-CZ 3.99Å; L145-F313 HydrophobicContact CB-CD1 4.32Å; L145-F313 HydrophobicContact CB-CE1 4.18Å; L145-F313 HydrophobicContact CB-CZ 4.32Å; L145-F313 HydrophobicContact CD1-CB 4.47Å; L145-F313 HydrophobicContact CD1-CD2 4.38Å; L145-F313 HydrophobicContact CD1-CG 4.3Å; L145-F313 HydrophobicContact CD2-CB 4.25Å; L145-F313 HydrophobicContact CD2-CD1 3.97Å; L145-F313 HydrophobicContact CD2-CG 4.18Å; L145-F313 WeakPolarHBondContact O-CE1 3.36Å; L145-F313 WeakPolarHBondContact O-CZ 3.22Å; W148-F313 HydrophobicContact CB-CD1 4.49Å; W148-F313 HydrophobicContact CB-CE1 4.15Å; W149-F313 HydrophobicContact CE3-CZ 4.03Å; A152-F313 HydrophobicContact CB-CD1 3.84Å; A152-F313 HydrophobicContact CB-CE1 3.57Å; A152-F313 HydrophobicContact CB-CG 4.47Å; A152-F313 HydrophobicContact CB-CZ 4.02Å; F153-F313 HydrophobicContact CD2-CZ 4.39Å; F153-F313 HydrophobicContact CE2-CD2 4.43Å; F153-F313 AromaticContact CE2-CE2 3.72Å; F153-F313 HydrophobicContact CE2-CE2 3.72Å; F153-F313 AromaticContact CE2-CZ 3.82Å; F153-F313 HydrophobicContact CE2-CZ 3.82Å; F153-F313 HydrophobicContact CZ-CE2 4.48Å; L299-F313 HydrophobicContact CD1-CB 3.46Å; L299-F313 VanDerWaalsContact CD1-CB 3.46Å; I309-F313 HydrophobicContact CG2-CD2 3.68Å; I309-F313 HydrophobicContact CG2-CE2 3.6Å; I309-F313 VanDerWaalsContact O-CD2 3.32Å; I309-F313 WeakPolarHBondContact O-CD2 3.27Å; I309-F313 PolarHBondContact O-N 2.84Å; I310-F313 PolarHBondContact O-N 2.57Å; F313-V316 PolarHBondContact O-N 3.22Å; F313-R317 WeakPolarHBondContact O-CB 3.42Å; F313-R317 PolarHBondContact O-N 3.35Å |
| 314 | N | 73.5 | Confident | 71.6 | Confident | 28 Ų | 28 | 45.2 Ų | 45.2 | 15% | 0.15 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 169.4 | -80.9 | -25.2 | 0 | 0 | 0 | 111.4 | P297 L299 I310 E311 R312 V316 R317 D318 | P297-N314 PolarHBondContact O-OD1 3.32Å; L299-N314 WeakPolarHBondContact CD1-OD1 3.44Å; L299-N314 VanDerWaalsContact CG-OD1 3.3Å; L299-N314 WeakPolarHBondContact CG-OD1 3.39Å; I310-N314 WeakPolarHBondContact O-CB 3.15Å; I310-N314 PolarHBondContact O-N 3.28Å; E311-N314 WeakPolarHBondContact O-CB 3.18Å; E311-N314 PolarHBondContact O-N 3Å; R312-N314 VanDerWaalsContact C-N 3.28Å; R312-N314 PolarHBondContact O-N 3.13Å; N314-V316 VanDerWaalsContact C-N 3.35Å; N314-V316 PolarHBondContact O-N 3.04Å; N314-R317 WeakPolarHBondContact O-CB 3.26Å; N314-R317 PolarHBondContact O-N 2.95Å; N314-R317 PolarHBondContact OD1-NH1 2.91Å; N314-D318 PolarHBondContact O-N 2.93Å; N314-D318 VanDerWaalsContact O-N 3.08Å |
| 315 | M | 64.5 | Low | 71.3 | Confident | 131 Ų | 131 | 43.4 Ų | 43.4 | 65% | 0.645 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -61.6 | -41.5 | 174.6 | -67.9 | -176.6 | -173.6 | 0 | 0 | 112.5 | E311 R312 D318 Y319 | E311-M315 WeakPolarHBondContact O-CG 3.21Å; E311-M315 PolarHBondContact O-N 3.43Å; E311-M315 VanDerWaalsContact O-N 3.12Å; R312-M315 WeakPolarHBondContact O-CB 3.32Å; R312-M315 PolarHBondContact O-N 3.49Å; R312-M315 VanDerWaalsContact O-N 3.15Å; M315-D318 PolarHBondContact O-N 2.94Å; M315-Y319 WeakPolarHBondContact O-CB 3.45Å; M315-Y319 PolarHBondContact O-N 2.69Å |
| 316 | V | 71.4 | Confident | 70.6 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.03 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | W148 I151 A152 R312 F313 N314 D318 Y319 L320 | W148-V316 HydrophobicContact CB-CG1 4.08Å; W148-V316 HydrophobicContact CD2-CG1 4.44Å; W148-V316 HydrophobicContact CE3-CG1 4.13Å; W148-V316 HydrophobicContact CG-CG1 4.46Å; I151-V316 HydrophobicContact CB-CG1 3.89Å; I151-V316 HydrophobicContact CB-CG2 4.22Å; I151-V316 HydrophobicContact CD1-CG1 4.37Å; I151-V316 HydrophobicContact CG2-CB 4.37Å; I151-V316 HydrophobicContact CG2-CG1 3.7Å; I151-V316 HydrophobicContact CG2-CG2 3.87Å; A152-V316 HydrophobicContact CB-CG2 3.72Å; R312-V316 WeakPolarHBondContact O-CG2 3.21Å; R312-V316 PolarHBondContact O-N 2.84Å; F313-V316 PolarHBondContact O-N 3.22Å; N314-V316 VanDerWaalsContact C-N 3.35Å; N314-V316 PolarHBondContact O-N 3.04Å; V316-D318 VanDerWaalsContact C-N 3.29Å; V316-D318 PolarHBondContact O-N 3.35Å; V316-Y319 WeakPolarHBondContact O-CB 3.18Å; V316-Y319 PolarHBondContact O-N 2.69Å; V316-L320 HydrophobicContact CG1-CD1 4.01Å; V316-L320 HydrophobicContact CG1-CG 4.28Å; V316-L320 WeakPolarHBondContact O-CG 3.38Å; V316-L320 PolarHBondContact O-N 3.41Å |
| 317 | R | 76.3 | Confident | 70.1 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 3% | 0.034 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54 | -48.9 | 175.4 | -177.6 | -159.2 | 63.1 | -148.1 | -8.3 | 111.1 | W148 I200 P297 F313 N314 Y319 L320 L321 H356 | W148-R317 HydrophobicContact CZ3-CB 4.4Å; I200-R317 HydrophobicContact CD1-CG 3.43Å; I200-R317 VanDerWaalsContact CD1-CG 3.43Å; P297-R317 PolarHBondContact O-NH1 3.11Å; P297-R317 PolarHBondContact O-NH2 3.47Å; F313-R317 WeakPolarHBondContact O-CB 3.42Å; F313-R317 PolarHBondContact O-N 3.35Å; N314-R317 WeakPolarHBondContact O-CB 3.26Å; N314-R317 PolarHBondContact O-N 2.95Å; N314-R317 PolarHBondContact OD1-NH1 2.91Å; R317-Y319 VanDerWaalsContact C-N 3.35Å; R317-L320 PolarHBondContact O-N 3.33Å; R317-L321 HydrophobicContact CG-CD1 4.18Å; R317-L321 WeakPolarHBondContact O-CG 3.14Å; R317-L321 PolarHBondContact O-N 2.89Å; R317-H356 PolarHBondContact NH2-NE2 3.07Å |
| 318 | D | 67.1 | Low | 69.7 | Low | 12 Ų | 12 | 38.6 Ų | 38.6 | 6% | 0.064 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.1 | -40.7 | -178.2 | -59.5 | -22 | 0 | 0 | 0 | 111.6 | N314 M315 V316 L320 L321 V322 H356 L357 | N314-D318 PolarHBondContact O-N 2.93Å; N314-D318 VanDerWaalsContact O-N 3.08Å; M315-D318 PolarHBondContact O-N 2.94Å; V316-D318 VanDerWaalsContact C-N 3.29Å; V316-D318 PolarHBondContact O-N 3.35Å; D318-L320 VanDerWaalsContact C-N 3.34Å; D318-L320 PolarHBondContact O-N 3.02Å; D318-L321 PolarHBondContact O-N 3.06Å; D318-V322 VanDerWaalsContact O-CG2 3.27Å; D318-V322 WeakPolarHBondContact O-CG2 3.39Å; D318-V322 PolarHBondContact O-N 2.87Å; D318-H356 IonicContact OD1-CE1 2.69Å; D318-H356 PolarHBondContact OD1-CE1 3.01Å; D318-H356 IonicContact OD1-NE2 3.53Å; D318-H356 PolarHBondContact OD1-NE2 3.37Å; D318-H356 IonicContact OD2-CD2 3.47Å; D318-H356 IonicContact OD2-CE1 3.51Å; D318-H356 IonicContact OD2-NE2 2.98Å; D318-H356 PolarHBondContact OD2-NE2 3.36Å; D318-L357 HydrophobicContact CB-CD1 3.79Å; D318-L357 HydrophobicContact CB-CG 4.45Å |
| 319 | Y | 66.9 | Low | 69.2 | Low | 52 Ų | 52 | 33.3 Ų | 33.3 | 20% | 0.204 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.8 | -47 | 172.8 | 169 | -100.2 | 0 | 0 | 0 | 111.8 | I151 M315 V316 R317 V322 R323 | I151-Y319 HydrophobicContact CG2-CD1 4.26Å; I151-Y319 HydrophobicContact CG2-CE1 4.41Å; M315-Y319 WeakPolarHBondContact O-CB 3.45Å; M315-Y319 PolarHBondContact O-N 2.69Å; V316-Y319 WeakPolarHBondContact O-CB 3.18Å; V316-Y319 PolarHBondContact O-N 2.69Å; R317-Y319 VanDerWaalsContact C-N 3.35Å; Y319-V322 PolarHBondContact O-N 3.26Å; Y319-R323 WeakPolarHBondContact O-CB 3.23Å; Y319-R323 PolarHBondContact O-N 3.37Å |
| 320 | L | 72.9 | Confident | 68.4 | Low | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 178.7 | -69.1 | 177.6 | 0 | 0 | 0 | 112.1 | W148 I151 I200 H204 V316 R317 D318 R323 A324 | W148-L320 HydrophobicContact CD2-CD1 3.75Å; W148-L320 HydrophobicContact CE3-CD1 4.09Å; W148-L320 HydrophobicContact CG-CD1 4.21Å; W148-L320 HydrophobicContact CH2-CD1 4.28Å; W148-L320 HydrophobicContact CZ2-CD1 3.95Å; W148-L320 HydrophobicContact CZ3-CD1 4.34Å; I151-L320 HydrophobicContact CD1-CD1 4.43Å; I151-L320 HydrophobicContact CD1-CD2 4.02Å; I200-L320 HydrophobicContact CG2-CB 4.02Å; I200-L320 HydrophobicContact CG2-CD1 4.25Å; H204-L320 HydrophobicContact CB-CD1 4.23Å; H204-L320 HydrophobicContact CB-CD2 4.14Å; H204-L320 WeakPolarHBondContact CD2-CD2 3.48Å; V316-L320 HydrophobicContact CG1-CD1 4.01Å; V316-L320 HydrophobicContact CG1-CG 4.28Å; V316-L320 WeakPolarHBondContact O-CG 3.38Å; V316-L320 PolarHBondContact O-N 3.41Å; R317-L320 PolarHBondContact O-N 3.33Å; D318-L320 VanDerWaalsContact C-N 3.34Å; D318-L320 PolarHBondContact O-N 3.02Å; L320-R323 PolarHBondContact O-N 3.29Å; L320-A324 WeakPolarHBondContact O-CB 3.25Å; L320-A324 PolarHBondContact O-N 3.41Å |
| 321 | L | 72.5 | Confident | 67.8 | Low | 10 Ų | 10 | 38.5 Ų | 38.5 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 176.7 | -80.1 | 171.9 | 0 | 0 | 0 | 112.6 | I200 L293 R317 D318 R323 A324 S325 T352 | I200-L321 HydrophobicContact CD1-CD1 4.28Å; I200-L321 HydrophobicContact CD1-CG 4.38Å; I200-L321 HydrophobicContact CG1-CD1 4.43Å; I200-L321 HydrophobicContact CG1-CD2 3.79Å; I200-L321 HydrophobicContact CG1-CG 4.04Å; L293-L321 HydrophobicContact CD2-CD2 4.16Å; R317-L321 HydrophobicContact CG-CD1 4.18Å; R317-L321 WeakPolarHBondContact O-CG 3.14Å; R317-L321 PolarHBondContact O-N 2.89Å; D318-L321 PolarHBondContact O-N 3.06Å; L321-R323 VanDerWaalsContact C-N 3.33Å; L321-R323 PolarHBondContact O-N 2.78Å; L321-A324 PolarHBondContact O-N 3.38Å; L321-S325 WeakPolarHBondContact O-CB 3.19Å; L321-S325 PolarHBondContact O-N 3.46Å; L321-T352 HydrophobicContact CD2-CG2 3.88Å |
| 322 | V | 62.8 | Low | 67.4 | Low | 24 Ų | 24 | 36.5 Ų | 36.5 | 15% | 0.145 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.5 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | M227 D318 Y319 A324 S325 R326 P354 | M227-V322 WeakPolarHBondContact O-CG1 3.35Å; D318-V322 VanDerWaalsContact O-CG2 3.27Å; D318-V322 WeakPolarHBondContact O-CG2 3.39Å; D318-V322 PolarHBondContact O-N 2.87Å; Y319-V322 PolarHBondContact O-N 3.26Å; V322-A324 VanDerWaalsContact C-N 3.32Å; V322-A324 PolarHBondContact O-N 2.94Å; V322-S325 PolarHBondContact O-N 3.41Å; V322-S325 PolarHBondContact O-OG 2.61Å; V322-R326 WeakPolarHBondContact O-CG 3.29Å; V322-R326 PolarHBondContact O-N 3.15Å; V322-R326 VanDerWaalsContact O-N 3.13Å; V322-P354 HydrophobicContact CG2-CG 3.51Å |
| 323 | R | 66.8 | Low | 66.6 | Low | 37 Ų | 37 | 38.1 Ų | 38.1 | 14% | 0.14 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 178.7 | -159.1 | -177.3 | 165.5 | -155.4 | -9.6 | 111.4 | V207 D208 F211 Y319 L320 L321 L327 | V207-R323 HydrophobicContact CG1-CB 4.39Å; V207-R323 HydrophobicContact CG1-CG 3.66Å; D208-R323 IonicContact OD1-CZ 3.67Å; D208-R323 IonicContact OD1-NH1 3.17Å; D208-R323 PolarHBondContact OD1-NH1 3.27Å; D208-R323 IonicContact OD1-NH2 2.67Å; D208-R323 PolarHBondContact OD1-NH2 3.18Å; F211-R323 HydrophobicContact CE2-CG 3.84Å; F211-R323 VanDerWaalsContact CE2-NE 3.3Å; F211-R323 HydrophobicContact CZ-CG 4Å; F211-R323 VanDerWaalsContact CZ-NE 3.3Å; Y319-R323 WeakPolarHBondContact O-CB 3.23Å; Y319-R323 PolarHBondContact O-N 3.37Å; L320-R323 PolarHBondContact O-N 3.29Å; L321-R323 VanDerWaalsContact C-N 3.33Å; L321-R323 PolarHBondContact O-N 2.78Å; R323-L327 PolarHBondContact O-N 2.94Å |
| 324 | A | 68.6 | Low | 65.3 | Low | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.9 | -46.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | L203 V207 L320 L321 V322 R326 L327 L328 | L203-A324 HydrophobicContact CB-CB 3.83Å; L203-A324 HydrophobicContact CD1-CB 4.16Å; L203-A324 HydrophobicContact CD2-CB 4.35Å; L203-A324 HydrophobicContact CG-CB 4.35Å; V207-A324 VanDerWaalsContact CG2-CA 3.44Å; V207-A324 HydrophobicContact CG2-CB 3.82Å; L320-A324 WeakPolarHBondContact O-CB 3.25Å; L320-A324 PolarHBondContact O-N 3.41Å; L321-A324 PolarHBondContact O-N 3.38Å; V322-A324 VanDerWaalsContact C-N 3.32Å; V322-A324 PolarHBondContact O-N 2.94Å; A324-R326 VanDerWaalsContact C-N 3.28Å; A324-R326 PolarHBondContact O-N 2.81Å; A324-L327 PolarHBondContact O-N 3.44Å; A324-L328 WeakPolarHBondContact O-CB 3.04Å; A324-L328 VanDerWaalsContact O-CG 3.24Å; A324-L328 WeakPolarHBondContact O-CG 3.26Å; A324-L328 PolarHBondContact O-N 3.24Å |
| 325 | S | 64.5 | Low | 63.8 | Low | 18 Ų | 18 | 46.3 Ų | 46.3 | 13% | 0.126 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.2 | -40.1 | 179.9 | 73.3 | 0 | 0 | 0 | 0 | 111.8 | L321 V322 A329 T352 | L321-S325 WeakPolarHBondContact O-CB 3.19Å; L321-S325 PolarHBondContact O-N 3.46Å; V322-S325 PolarHBondContact O-N 3.41Å; V322-S325 PolarHBondContact O-OG 2.61Å; S325-A329 VanDerWaalsContact O-CB 3.26Å; S325-A329 WeakPolarHBondContact O-CB 3.32Å; S325-A329 PolarHBondContact O-N 2.95Å; S325-T352 WeakPolarHBondContact CB-OG1 3.28Å |
| 326 | R | 57.7 | Low | 62.7 | Low | 75 Ų | 75 | 45.2 Ų | 45.2 | 28% | 0.283 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.5 | -45.3 | 177.6 | -70.3 | -175.2 | 77.2 | -149.4 | -7.3 | 113.1 | Q226 V322 A324 Y330 | Q226-R326 PolarHBondContact O-NH1 3.02Å; V322-R326 WeakPolarHBondContact O-CG 3.29Å; V322-R326 PolarHBondContact O-N 3.15Å; V322-R326 VanDerWaalsContact O-N 3.13Å; A324-R326 VanDerWaalsContact C-N 3.28Å; A324-R326 PolarHBondContact O-N 2.81Å; R326-Y330 WeakPolarHBondContact O-CB 3.47Å; R326-Y330 PolarHBondContact O-N 3.25Å |
| 327 | L | 64.6 | Low | 61.2 | Low | 20 Ų | 20 | 52 Ų | 52 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 178.1 | -176.5 | 72.4 | 0 | 0 | 0 | 111 | Y206 V207 N210 R323 A324 Y330 E331 | Y206-L327 HydrophobicContact CD1-CD2 3.98Å; Y206-L327 HydrophobicContact CE1-CD2 3.85Å; V207-L327 HydrophobicContact CB-CD2 4.3Å; V207-L327 HydrophobicContact CG2-CB 4.4Å; V207-L327 HydrophobicContact CG2-CD2 3.99Å; N210-L327 HydrophobicContact CB-CD1 4.4Å; N210-L327 HydrophobicContact CB-CD2 3.67Å; R323-L327 PolarHBondContact O-N 2.94Å; A324-L327 PolarHBondContact O-N 3.44Å; L327-Y330 PolarHBondContact O-N 3.17Å; L327-E331 WeakPolarHBondContact O-CG 3.47Å; L327-E331 PolarHBondContact O-N 2.7Å |
| 328 | L | 66.5 | Low | 59.7 | Low | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 177.5 | -68.9 | 174.6 | 0 | 0 | 0 | 111.7 | L203 Y206 A324 E331 L332 I341 L348 V349 | L203-L328 HydrophobicContact CD2-CD1 4.11Å; Y206-L328 HydrophobicContact CE1-CD2 4.21Å; A324-L328 WeakPolarHBondContact O-CB 3.04Å; A324-L328 VanDerWaalsContact O-CG 3.24Å; A324-L328 WeakPolarHBondContact O-CG 3.26Å; A324-L328 PolarHBondContact O-N 3.24Å; L328-E331 PolarHBondContact O-N 3.35Å; L328-L332 WeakPolarHBondContact O-CB 2.76Å; L328-L332 WeakPolarHBondContact O-CD1 3.39Å; L328-L332 WeakPolarHBondContact O-CG 3.28Å; L328-L332 PolarHBondContact O-N 3.27Å; L328-I341 HydrophobicContact CD2-CD1 3.37Å; L328-L348 HydrophobicContact CD1-CB 3.95Å; L328-L348 HydrophobicContact CD1-CD1 4.29Å; L328-V349 HydrophobicContact CB-CG2 3.9Å |
| 329 | A | 61.3 | Low | 58.8 | Low | 28 Ų | 28 | 60.2 Ų | 60.2 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S325 L332 E333 V349 | S325-A329 VanDerWaalsContact O-CB 3.26Å; S325-A329 WeakPolarHBondContact O-CB 3.32Å; S325-A329 PolarHBondContact O-N 2.95Å; A329-L332 PolarHBondContact O-N 3.02Å; A329-E333 WeakPolarHBondContact O-CG 3.42Å; A329-E333 PolarHBondContact O-N 3.24Å; A329-V349 HydrophobicContact CB-CG1 4.15Å; A329-V349 HydrophobicContact CB-CG2 4.47Å |
| 330 | Y | 61.2 | Low | 58.3 | Low | 112 Ų | 112 | 61.4 Ų | 61.4 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 177.1 | 179.7 | -98.3 | 0 | 0 | 0 | 112.5 | V216 R326 L327 L332 E333 S334 | V216-Y330 HydrophobicContact CG1-CD1 4.32Å; V216-Y330 HydrophobicContact CG1-CD2 4Å; V216-Y330 HydrophobicContact CG1-CE1 4.05Å; V216-Y330 HydrophobicContact CG1-CE2 3.7Å; V216-Y330 HydrophobicContact CG1-CG 4.3Å; V216-Y330 HydrophobicContact CG2-CE1 3.85Å; R326-Y330 WeakPolarHBondContact O-CB 3.47Å; R326-Y330 PolarHBondContact O-N 3.25Å; L327-Y330 PolarHBondContact O-N 3.17Å; Y330-L332 VanDerWaalsContact C-N 3.26Å; Y330-L332 PolarHBondContact O-N 3.27Å; Y330-E333 PolarHBondContact O-N 3.47Å; Y330-S334 WeakPolarHBondContact O-CB 3.36Å; Y330-S334 PolarHBondContact O-N 2.7Å; Y330-S334 PolarHBondContact O-OG 3.45Å |
| 331 | E | 62.9 | Low | 57.7 | Low | 29 Ų | 29 | 62.3 Ų | 62.3 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.1 | -30.6 | 178.7 | -74.2 | -175.8 | -177.3 | 0 | 0 | 112.3 | Y206 N210 L327 L328 S334 I341 | Y206-E331 PolarHBondContact OH-OE2 3.08Å; N210-E331 PolarHBondContact ND2-OE1 2.87Å; L327-E331 WeakPolarHBondContact O-CG 3.47Å; L327-E331 PolarHBondContact O-N 2.7Å; L328-E331 PolarHBondContact O-N 3.35Å; E331-S334 PolarHBondContact O-OG 3.44Å; E331-I341 HydrophobicContact CB-CD1 4.26Å; E331-I341 WeakPolarHBondContact OE2-CD1 3.36Å; E331-I341 WeakPolarHBondContact OE2-CG1 3.39Å |
| 332 | L | 62.6 | Low | 57 | Low | 51 Ų | 51 | 63.8 Ų | 63.8 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -75.6 | -30.9 | 175.1 | -72.8 | 165.6 | 0 | 0 | 0 | 113.6 | L328 A329 Y330 I341 T346 V349 | L328-L332 WeakPolarHBondContact O-CB 2.76Å; L328-L332 WeakPolarHBondContact O-CD1 3.39Å; L328-L332 WeakPolarHBondContact O-CG 3.28Å; L328-L332 PolarHBondContact O-N 3.27Å; A329-L332 PolarHBondContact O-N 3.02Å; Y330-L332 VanDerWaalsContact C-N 3.26Å; Y330-L332 PolarHBondContact O-N 3.27Å; L332-I341 HydrophobicContact CD2-CG2 4.12Å; L332-T346 HydrophobicContact CD1-CG2 3.85Å; L332-T346 HydrophobicContact CD2-CG2 4.11Å; L332-V349 HydrophobicContact CD1-CG2 3.68Å |
| 333 | E | 53.8 | Low | 56.9 | Low | 153 Ų | 153 | 71.3 Ų | 71.3 | 72% | 0.715 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -85.5 | -26.9 | 178.7 | -73.5 | 180 | 178.6 | 0 | 0 | 113.3 | A329 Y330 N335 | A329-E333 WeakPolarHBondContact O-CG 3.42Å; A329-E333 PolarHBondContact O-N 3.24Å; Y330-E333 PolarHBondContact O-N 3.47Å; E333-N335 PolarHBondContact O-N 2.98Å |
| 334 | S | 51.9 | Low | 56.6 | Low | 29 Ų | 29 | 74.5 Ų | 74.5 | 20% | 0.203 | 38% | 0.379 | C | S | . | . | trans | -71.1 | 117.4 | -177.4 | 70.4 | 0 | 0 | 0 | 0 | 111.9 | Y330 E331 V336 | Y330-S334 WeakPolarHBondContact O-CB 3.36Å; Y330-S334 PolarHBondContact O-N 2.7Å; Y330-S334 PolarHBondContact O-OG 3.45Å; E331-S334 PolarHBondContact O-OG 3.44Å; S334-V336 PolarHBondContact O-N 3.11Å | ||
| 335 | N | 42.2 | Very low | 56.5 | Low | 172 Ų | 172 | 74.7 Ų | 74.7 | 92% | 0.92 | 38% | 0.379 | S | S | * | . | trans | -66.7 | 9 | 170.5 | -76.7 | -26.6 | 0 | 0 | 0 | 113.6 | E333 N337 | E333-N335 PolarHBondContact O-N 2.98Å; N335-N337 PolarHBondContact O-N 3.09Å | ||
| 336 | V | 42.7 | Very low | 56.5 | Low | 108 Ų | 108 | 77.1 Ų | 77.1 | 66% | 0.655 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -99.3 | 88.9 | -170.7 | -176 | 0 | 0 | 0 | 0 | 108.8 | S334 C338 | S334-V336 PolarHBondContact O-N 3.11Å; V336-C338 PolarHBondContact O-N 3.4Å; V336-C338 PolarHBondContact O-SG 2.92Å; V336-C338 VanDerWaalsContact O-SG 3.35Å |
| 337 | N | 39.8 | Very low | 56.8 | Low | 146 Ų | 146 | 75.6 Ų | 75.6 | 78% | 0.781 | 39% | 0.394 | S | S | * | . | trans | 28.5 | 34.8 | 157.7 | -93.9 | 1.8 | 0 | 0 | 0 | 118.9 | N335 N339 | N335-N337 PolarHBondContact O-N 3.09Å; N337-N339 VanDerWaalsContact C-N 3.25Å; N337-N339 PolarHBondContact O-N 3.28Å | ||
| 338 | C | 45.3 | Very low | 56.8 | Low | 57 Ų | 57 | 74.8 Ų | 74.8 | 39% | 0.385 | 39% | 0.39 | S | S | . | . | trans | -81.9 | 79.8 | 177.2 | -81.9 | 0 | 0 | 0 | 0 | 107.3 | V336 Y340 | V336-C338 PolarHBondContact O-N 3.4Å; V336-C338 PolarHBondContact O-SG 2.92Å; V336-C338 VanDerWaalsContact O-SG 3.35Å; C338-Y340 PolarHBondContact O-N 2.9Å | ||
| 339 | N | 47.9 | Very low | 56.6 | Low | 138 Ų | 138 | 76.3 Ų | 76.3 | 74% | 0.738 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 4.9 | -179.3 | -76.3 | -14.8 | 0 | 0 | 0 | 114.8 | N337 | N337-N339 VanDerWaalsContact C-N 3.25Å; N337-N339 PolarHBondContact O-N 3.28Å |
| 340 | Y | 56.2 | Low | 56.6 | Low | 76 Ų | 76 | 81.6 Ų | 81.6 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -35.5 | -166.4 | -60.4 | -73.3 | 0 | 0 | 0 | 113.2 | L275 V278 C338 P342 | L275-Y340 HydrophobicContact CD1-CE1 4.03Å; L275-Y340 HydrophobicContact CD2-CD1 3.44Å; L275-Y340 VanDerWaalsContact CD2-CD1 3.44Å; L275-Y340 HydrophobicContact CD2-CE1 3.7Å; L275-Y340 HydrophobicContact CG-CD1 3.81Å; L275-Y340 HydrophobicContact CG-CE1 3.79Å; V278-Y340 VanDerWaalsContact CG1-O 3.29Å; V278-Y340 WeakPolarHBondContact CG1-O 3.31Å; C338-Y340 PolarHBondContact O-N 2.9Å; Y340-P342 VanDerWaalsContact O-CD 3.28Å; Y340-P342 WeakPolarHBondContact O-CD 3.43Å |
| 341 | I | 59.3 | Low | 56.5 | Low | 23 Ų | 23 | 76.8 Ų | 76.8 | 12% | 0.118 | 40% | 0.401 | C | S | . | . | trans | -107.2 | 109.7 | -177.4 | -61.7 | -163.4 | 0 | 0 | 0 | 112 | Y206 L328 E331 L332 F345 | Y206-I341 HydrophobicContact CE1-CD1 4.02Å; Y206-I341 VanDerWaalsContact OH-CD1 3.24Å; Y206-I341 WeakPolarHBondContact OH-CD1 3.39Å; Y206-I341 WeakPolarHBondContact OH-CG1 3.31Å; L328-I341 HydrophobicContact CD2-CD1 3.37Å; E331-I341 HydrophobicContact CB-CD1 4.26Å; E331-I341 WeakPolarHBondContact OE2-CD1 3.36Å; E331-I341 WeakPolarHBondContact OE2-CG1 3.39Å; L332-I341 HydrophobicContact CD2-CG2 4.12Å; I341-F345 HydrophobicContact CB-CD2 4.45Å; I341-F345 HydrophobicContact CG2-CB 3.64Å; I341-F345 HydrophobicContact CG2-CD2 3.56Å; I341-F345 HydrophobicContact CG2-CG 3.94Å | ||
| 342 | P | 57.9 | Low | 56.3 | Low | 40 Ų | 40 | 75.5 Ų | 75.5 | 26% | 0.26 | 40% | 0.395 | S | S | . | . | trans | -58.1 | 145.2 | 165.4 | -14.4 | 15.4 | 0 | 0 | 0 | 112.6 | K282 Y340 Q344 F345 | K282-P342 HydrophobicContact CD-CG 4.26Å; K282-P342 HydrophobicContact CG-CG 4.32Å; Y340-P342 VanDerWaalsContact O-CD 3.28Å; Y340-P342 WeakPolarHBondContact O-CD 3.43Å; P342-Q344 HydrophobicContact CB-CB 4.26Å; P342-Q344 HydrophobicContact CB-CG 4.4Å; P342-Q344 PolarHBondContact O-N 2.79Å; P342-F345 HydrophobicContact CB-CD2 4.39Å; P342-F345 HydrophobicContact CG-CD2 4.12Å; P342-F345 HydrophobicContact CG-CE2 4.01Å; P342-F345 WeakPolarHBondContact O-CD2 3.45Å; P342-F345 PolarHBondContact O-N 3.04Å | ||
| 343 | K | 61.7 | Low | 55.9 | Low | 183 Ų | 183 | 74.3 Ų | 74.3 | 80% | 0.796 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -50.1 | -19.2 | 169.1 | -71.4 | -178.4 | 174.3 | 179.4 | 0 | 114.5 | F345 T346 | K343-F345 PolarHBondContact O-N 2.91Å; K343-F345 VanDerWaalsContact O-N 3.17Å; K343-T346 VanDerWaalsContact O-CG2 3.32Å; K343-T346 WeakPolarHBondContact O-CG2 3.48Å; K343-T346 PolarHBondContact O-N 3.28Å; K343-T346 PolarHBondContact O-OG1 2.65Å |
| 344 | Q | 60.6 | Low | 55.7 | Low | 104 Ų | 104 | 67.9 Ų | 67.9 | 49% | 0.486 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -58.3 | -22.2 | 174.3 | -64.2 | 179 | -12.7 | 0 | 0 | 113.1 | P342 T346 C347 | P342-Q344 HydrophobicContact CB-CB 4.26Å; P342-Q344 HydrophobicContact CB-CG 4.4Å; P342-Q344 PolarHBondContact O-N 2.79Å; Q344-T346 VanDerWaalsContact C-N 3.32Å; Q344-T346 PolarHBondContact O-N 2.76Å; Q344-C347 PolarHBondContact O-SG 2.97Å |
| 345 | F | 65.9 | Low | 55.5 | Low | 3 Ų | 3 | 70.3 Ų | 70.3 | 1% | 0.013 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -81.6 | -1.6 | 179.9 | -74.2 | -64 | 0 | 0 | 0 | 115.3 | V278 L281 K282 V285 I341 P342 K343 C347 L348 | V278-F345 HydrophobicContact CG1-CE2 4.14Å; V278-F345 HydrophobicContact CG1-CZ 4.49Å; L281-F345 VanDerWaalsContact C-CE1 3.49Å; L281-F345 HydrophobicContact CB-CE1 3.46Å; L281-F345 VanDerWaalsContact CB-CE1 3.46Å; L281-F345 HydrophobicContact CB-CZ 3.65Å; K282-F345 HydrophobicContact CB-CZ 4.14Å; K282-F345 HydrophobicContact CG-CE2 3.59Å; K282-F345 HydrophobicContact CG-CZ 3.51Å; K282-F345 VanDerWaalsContact N-CZ 3.34Å; V285-F345 HydrophobicContact CG2-CD1 3.87Å; V285-F345 HydrophobicContact CG2-CE1 3.79Å; I341-F345 HydrophobicContact CB-CD2 4.45Å; I341-F345 HydrophobicContact CG2-CB 3.64Å; I341-F345 HydrophobicContact CG2-CD2 3.56Å; I341-F345 HydrophobicContact CG2-CG 3.94Å; P342-F345 HydrophobicContact CB-CD2 4.39Å; P342-F345 HydrophobicContact CG-CD2 4.12Å; P342-F345 HydrophobicContact CG-CE2 4.01Å; P342-F345 WeakPolarHBondContact O-CD2 3.45Å; P342-F345 PolarHBondContact O-N 3.04Å; K343-F345 PolarHBondContact O-N 2.91Å; K343-F345 VanDerWaalsContact O-N 3.17Å; F345-C347 PolarHBondContact O-N 3.33Å; F345-C347 VanDerWaalsContact O-N 3.15Å; F345-L348 HydrophobicContact CD1-CD1 3.35Å; F345-L348 HydrophobicContact CD1-CG 3.97Å; F345-L348 HydrophobicContact CE1-CD1 3.81Å; F345-L348 HydrophobicContact CG-CD1 4.39Å; F345-L348 WeakPolarHBondContact O-CB 3.3Å; F345-L348 PolarHBondContact O-N 3.49Å |
| 346 | T | 63.6 | Low | 55.7 | Low | 69 Ų | 69 | 64.4 Ų | 64.4 | 42% | 0.423 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.2 | -31 | 172.3 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | L332 K343 Q344 L348 V349 H350 | L332-T346 HydrophobicContact CD1-CG2 3.85Å; L332-T346 HydrophobicContact CD2-CG2 4.11Å; K343-T346 VanDerWaalsContact O-CG2 3.32Å; K343-T346 WeakPolarHBondContact O-CG2 3.48Å; K343-T346 PolarHBondContact O-N 3.28Å; K343-T346 PolarHBondContact O-OG1 2.65Å; Q344-T346 VanDerWaalsContact C-N 3.32Å; Q344-T346 PolarHBondContact O-N 2.76Å; T346-L348 VanDerWaalsContact C-N 3.3Å; T346-L348 PolarHBondContact O-N 3.46Å; T346-V349 WeakPolarHBondContact O-CB 3.45Å; T346-V349 PolarHBondContact O-N 3.15Å; T346-H350 PolarHBondContact O-CD2 3.12Å; T346-H350 VanDerWaalsContact O-CD2 3.24Å; T346-H350 PolarHBondContact O-N 3.11Å |
| 347 | C | 64.1 | Low | 55.8 | Low | 44 Ų | 44 | 61.2 Ų | 61.2 | 30% | 0.297 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -37 | 174.5 | 65.8 | 0 | 0 | 0 | 0 | 112.6 | V285 Q344 F345 V349 H350 V351 | V285-C347 VanDerWaalsContact CG1-SG 3.54Å; Q344-C347 PolarHBondContact O-SG 2.97Å; F345-C347 PolarHBondContact O-N 3.33Å; F345-C347 VanDerWaalsContact O-N 3.15Å; C347-V349 VanDerWaalsContact C-N 3.3Å; C347-V349 PolarHBondContact O-N 3.33Å; C347-H350 PolarHBondContact O-N 3.44Å; C347-V351 VanDerWaalsContact O-CB 3.23Å; C347-V351 WeakPolarHBondContact O-CB 3.26Å; C347-V351 WeakPolarHBondContact O-CG2 3.16Å; C347-V351 PolarHBondContact O-N 3.35Å |
| 348 | L | 65.9 | Low | 56 | Low | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 177.4 | -70 | -176.7 | 0 | 0 | 0 | 111 | V285 A290 L293 L328 F345 T346 H350 V351 T352 | V285-L348 HydrophobicContact CG2-CD1 4.34Å; V285-L348 HydrophobicContact CG2-CD2 4.11Å; V285-L348 HydrophobicContact CG2-CG 4.02Å; A290-L348 HydrophobicContact CB-CD2 3.89Å; L293-L348 HydrophobicContact CD1-CD2 4.01Å; L328-L348 HydrophobicContact CD1-CB 3.95Å; L328-L348 HydrophobicContact CD1-CD1 4.29Å; F345-L348 HydrophobicContact CD1-CD1 3.35Å; F345-L348 HydrophobicContact CD1-CG 3.97Å; F345-L348 HydrophobicContact CE1-CD1 3.81Å; F345-L348 HydrophobicContact CG-CD1 4.39Å; F345-L348 WeakPolarHBondContact O-CB 3.3Å; F345-L348 PolarHBondContact O-N 3.49Å; T346-L348 VanDerWaalsContact C-N 3.3Å; T346-L348 PolarHBondContact O-N 3.46Å; L348-H350 VanDerWaalsContact C-N 3.34Å; L348-H350 PolarHBondContact O-N 2.95Å; L348-V351 PolarHBondContact O-N 2.78Å; L348-T352 VanDerWaalsContact O-CB 3.25Å; L348-T352 WeakPolarHBondContact O-CB 3.27Å; L348-T352 WeakPolarHBondContact O-CG2 3.4Å; L348-T352 PolarHBondContact O-N 3.3Å; L348-T352 PolarHBondContact O-OG1 2.72Å |
| 349 | V | 62.5 | Low | 55.6 | Low | 36 Ų | 36 | 54.6 Ų | 54.6 | 22% | 0.218 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 177.3 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | L328 A329 L332 T346 C347 V351 T352 | L328-V349 HydrophobicContact CB-CG2 3.9Å; A329-V349 HydrophobicContact CB-CG1 4.15Å; A329-V349 HydrophobicContact CB-CG2 4.47Å; L332-V349 HydrophobicContact CD1-CG2 3.68Å; T346-V349 WeakPolarHBondContact O-CB 3.45Å; T346-V349 PolarHBondContact O-N 3.15Å; C347-V349 VanDerWaalsContact C-N 3.3Å; C347-V349 PolarHBondContact O-N 3.33Å; V349-V351 VanDerWaalsContact C-N 3.33Å; V349-T352 PolarHBondContact O-OG1 3.18Å |
| 350 | H | 60.6 | Low | 55 | Low | 139 Ų | 139 | 54.1 Ų | 54.1 | 64% | 0.644 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -71.9 | -28.8 | 178.5 | -66.6 | -63.6 | 0 | 0 | 0 | 113.6 | T346 C347 L348 | T346-H350 PolarHBondContact O-CD2 3.12Å; T346-H350 VanDerWaalsContact O-CD2 3.24Å; T346-H350 PolarHBondContact O-N 3.11Å; C347-H350 PolarHBondContact O-N 3.44Å; L348-H350 VanDerWaalsContact C-N 3.34Å; L348-H350 PolarHBondContact O-N 2.95Å |
| 351 | V | 59.6 | Low | 54.1 | Low | 11 Ų | 11 | 52.6 Ų | 52.6 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -84 | -36.7 | -176.6 | 163.8 | 0 | 0 | 0 | 0 | 111.7 | A290 L293 K294 C347 L348 V349 A353 | A290-V351 WeakPolarHBondContact O-CG1 3.29Å; L293-V351 HydrophobicContact CB-CG1 3.24Å; L293-V351 HydrophobicContact CD1-CG1 3.61Å; L293-V351 HydrophobicContact CG-CG1 4.03Å; K294-V351 HydrophobicContact CD-CG2 4.49Å; K294-V351 HydrophobicContact CG-CG1 4.22Å; K294-V351 HydrophobicContact CG-CG2 4.31Å; C347-V351 VanDerWaalsContact O-CB 3.23Å; C347-V351 WeakPolarHBondContact O-CB 3.26Å; C347-V351 WeakPolarHBondContact O-CG2 3.16Å; C347-V351 PolarHBondContact O-N 3.35Å; L348-V351 PolarHBondContact O-N 2.78Å; V349-V351 VanDerWaalsContact C-N 3.33Å; V351-A353 VanDerWaalsContact C-N 3.28Å; V351-A353 PolarHBondContact O-N 3.1Å |
| 352 | T | 57.2 | Low | 52.9 | Low | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -80.4 | -4.3 | -178.6 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | L203 L293 L321 S325 L348 V349 P354 | L203-T352 HydrophobicContact CD1-CG2 3.9Å; L293-T352 HydrophobicContact CD1-CG2 3.82Å; L321-T352 HydrophobicContact CD2-CG2 3.88Å; S325-T352 WeakPolarHBondContact CB-OG1 3.28Å; L348-T352 VanDerWaalsContact O-CB 3.25Å; L348-T352 WeakPolarHBondContact O-CB 3.27Å; L348-T352 WeakPolarHBondContact O-CG2 3.4Å; L348-T352 PolarHBondContact O-N 3.3Å; L348-T352 PolarHBondContact O-OG1 2.72Å; V349-T352 PolarHBondContact O-OG1 3.18Å; T352-P354 VanDerWaalsContact O-CD 3.31Å; T352-P354 WeakPolarHBondContact O-CD 3.25Å |
| 353 | A | 54.7 | Low | 51.9 | Low | 26 Ų | 26 | 57 Ų | 57 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -71.2 | 116.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V351 K355 H379 | V351-A353 VanDerWaalsContact C-N 3.28Å; V351-A353 PolarHBondContact O-N 3.1Å; A353-K355 PolarHBondContact O-N 2.76Å; A353-H379 VanDerWaalsContact CB-CE1 3.45Å; A353-H379 WeakPolarHBondContact CB-CE1 2.95Å |
| 354 | P | 51.1 | Low | 50.6 | Low | 19 Ų | 19 | 52.4 Ų | 52.4 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | trans | -69.2 | 105.4 | -175.4 | 27.4 | -34.9 | 0 | 0 | 0 | 110.5 | V322 T352 H356 L357 | V322-P354 HydrophobicContact CG2-CG 3.51Å; T352-P354 VanDerWaalsContact O-CD 3.31Å; T352-P354 WeakPolarHBondContact O-CD 3.25Å; P354-H356 VanDerWaalsContact C-N 3.35Å; P354-L357 HydrophobicContact CB-CB 4.26Å; P354-L357 HydrophobicContact CB-CD1 3.77Å; P354-L357 HydrophobicContact CB-CG 4.27Å; P354-L357 HydrophobicContact CG-CB 4.39Å; P354-L357 HydrophobicContact CG-CD1 3.58Å; P354-L357 HydrophobicContact CG-CG 4.47Å | ||
| 355 | K | 45.9 | Very low | 49.4 | Very low | 79 Ų | 79 | 52.6 Ų | 52.6 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -71.4 | -26.4 | -178.3 | -76.3 | -173.2 | -179.7 | -172.5 | 0 | 113.5 | A353 I358 P378 H379 | A353-K355 PolarHBondContact O-N 2.76Å; K355-I358 WeakPolarHBondContact O-CB 3.36Å; K355-P378 HydrophobicContact CB-CG 3.62Å; K355-P378 HydrophobicContact CD-CG 4.11Å; K355-P378 HydrophobicContact CG-CG 3.78Å; K355-P378 WeakPolarHBondContact O-CG 3.45Å; K355-H379 WeakPolarHBondContact CG-NE2 3.08Å |
| 356 | H | 47.8 | Very low | 47.9 | Very low | 48 Ų | 48 | 58.3 Ų | 58.3 | 22% | 0.222 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -88.2 | -27.9 | -174.5 | 57 | -72.6 | 0 | 0 | 0 | 113.7 | P297 R317 D318 P354 I358 S359 E360 | P297-H356 HydrophobicContact CB-CB 4.31Å; P297-H356 HydrophobicContact CG-CB 4.42Å; R317-H356 PolarHBondContact NH2-NE2 3.07Å; D318-H356 IonicContact OD1-CE1 2.69Å; D318-H356 PolarHBondContact OD1-CE1 3.01Å; D318-H356 IonicContact OD1-NE2 3.53Å; D318-H356 PolarHBondContact OD1-NE2 3.37Å; D318-H356 IonicContact OD2-CD2 3.47Å; D318-H356 IonicContact OD2-CE1 3.51Å; D318-H356 IonicContact OD2-NE2 2.98Å; D318-H356 PolarHBondContact OD2-NE2 3.36Å; P354-H356 VanDerWaalsContact C-N 3.35Å; H356-I358 PolarHBondContact O-N 3.32Å; H356-I358 VanDerWaalsContact O-N 3.12Å; H356-S359 WeakPolarHBondContact CA-OG 3.15Å; H356-S359 PolarHBondContact O-N 3.26Å; H356-S359 VanDerWaalsContact O-N 3.11Å; H356-S359 PolarHBondContact O-OG 3.38Å; H356-E360 PolarHBondContact O-N 2.86Å |
| 357 | L | 45.2 | Very low | 46.3 | Very low | 42 Ų | 42 | 56.7 Ų | 56.7 | 22% | 0.22 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.5 | -29.3 | 168.7 | -89.9 | 169.6 | 0 | 0 | 0 | 110.9 | D318 P354 L361 | D318-L357 HydrophobicContact CB-CD1 3.79Å; D318-L357 HydrophobicContact CB-CG 4.45Å; P354-L357 HydrophobicContact CB-CB 4.26Å; P354-L357 HydrophobicContact CB-CD1 3.77Å; P354-L357 HydrophobicContact CB-CG 4.27Å; P354-L357 HydrophobicContact CG-CB 4.39Å; P354-L357 HydrophobicContact CG-CD1 3.58Å; P354-L357 HydrophobicContact CG-CG 4.47Å; L357-L361 HydrophobicContact CB-CD1 4.49Å; L357-L361 WeakPolarHBondContact O-CB 3.14Å; L357-L361 VanDerWaalsContact O-CD1 3.25Å; L357-L361 WeakPolarHBondContact O-CD1 3.37Å; L357-L361 WeakPolarHBondContact O-CG 3.3Å; L357-L361 PolarHBondContact O-N 2.8Å |
| 358 | I | 42.2 | Very low | 44.8 | Very low | 7 Ų | 7 | 64.7 Ų | 64.7 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.5 | -42.5 | 178.9 | -60.1 | 175.3 | 0 | 0 | 0 | 112.2 | K355 H356 L361 L362 P378 H379 L382 | K355-I358 WeakPolarHBondContact O-CB 3.36Å; H356-I358 PolarHBondContact O-N 3.32Å; H356-I358 VanDerWaalsContact O-N 3.12Å; I358-L361 PolarHBondContact O-N 2.97Å; I358-L362 HydrophobicContact CG2-CD1 3.73Å; I358-L362 HydrophobicContact CG2-CG 4.29Å; I358-L362 VanDerWaalsContact O-CB 3.3Å; I358-L362 WeakPolarHBondContact O-CB 3.37Å; I358-L362 WeakPolarHBondContact O-CD1 3.4Å; I358-L362 WeakPolarHBondContact O-CG 3.34Å; I358-L362 PolarHBondContact O-N 3.11Å; I358-P378 HydrophobicContact CB-CB 4.04Å; I358-P378 HydrophobicContact CD1-CB 4.06Å; I358-P378 HydrophobicContact CD1-CG 4.39Å; I358-P378 HydrophobicContact CG2-CB 3.84Å; I358-P378 WeakPolarHBondContact CG2-O 3.42Å; I358-H379 HydrophobicContact CD1-CB 4.28Å; I358-H379 WeakPolarHBondContact CD1-CE1 3.44Å; I358-H379 WeakPolarHBondContact CD1-ND1 3.33Å; I358-L382 HydrophobicContact CG1-CD2 4.2Å; I358-L382 HydrophobicContact CG2-CB 3.71Å; I358-L382 HydrophobicContact CG2-CD1 4.26Å; I358-L382 HydrophobicContact CG2-CD2 4.38Å; I358-L382 HydrophobicContact CG2-CG 4.34Å |
| 359 | S | 37.6 | Very low | 43.3 | Very low | 57 Ų | 57 | 68.4 Ų | 68.4 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 177.5 | 23.6 | 0 | 0 | 0 | 0 | 112.6 | H356 N363 | H356-S359 WeakPolarHBondContact CA-OG 3.15Å; H356-S359 PolarHBondContact O-N 3.26Å; H356-S359 VanDerWaalsContact O-N 3.11Å; H356-S359 PolarHBondContact O-OG 3.38Å; S359-N363 WeakPolarHBondContact O-CB 3.49Å; S359-N363 VanDerWaalsContact O-CG 3.28Å; S359-N363 PolarHBondContact O-N 2.87Å; S359-N363 PolarHBondContact O-ND2 3.17Å |
| 360 | E | 35.9 | Very low | 41.9 | Very low | 127 Ų | 127 | 76.3 Ų | 76.3 | 59% | 0.593 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -74.7 | -36.9 | 173.1 | -77.1 | -173.1 | 153.9 | 0 | 0 | 112.3 | H356 L362 N363 I364 | H356-E360 PolarHBondContact O-N 2.86Å; E360-L362 VanDerWaalsContact C-N 3.26Å; E360-L362 PolarHBondContact O-N 3.34Å; E360-N363 PolarHBondContact O-N 3.37Å; E360-I364 VanDerWaalsContact O-CG1 3.27Å; E360-I364 WeakPolarHBondContact O-CG1 3.33Å; E360-I364 PolarHBondContact O-N 3.44Å |
| 361 | L | 37.5 | Very low | 40.7 | Very low | 45 Ų | 45 | 78.9 Ų | 78.9 | 24% | 0.236 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.4 | -36 | 170.1 | -80.7 | 163.1 | 0 | 0 | 0 | 112.4 | L239 L357 I358 | L239-L361 HydrophobicContact CD1-CD2 4.1Å; L239-L361 HydrophobicContact CD2-CD2 3.67Å; L357-L361 HydrophobicContact CB-CD1 4.49Å; L357-L361 WeakPolarHBondContact O-CB 3.14Å; L357-L361 VanDerWaalsContact O-CD1 3.25Å; L357-L361 WeakPolarHBondContact O-CD1 3.37Å; L357-L361 WeakPolarHBondContact O-CG 3.3Å; L357-L361 PolarHBondContact O-N 2.8Å; I358-L361 PolarHBondContact O-N 2.97Å |
| 362 | L | 34.1 | Very low | 39.7 | Very low | 24 Ų | 24 | 83.2 Ų | 83.2 | 13% | 0.126 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -75 | -27.1 | 174.4 | -72.4 | 165.8 | 0 | 0 | 0 | 112.3 | I358 E360 C367 L382 W385 | I358-L362 HydrophobicContact CG2-CD1 3.73Å; I358-L362 HydrophobicContact CG2-CG 4.29Å; I358-L362 VanDerWaalsContact O-CB 3.3Å; I358-L362 WeakPolarHBondContact O-CB 3.37Å; I358-L362 WeakPolarHBondContact O-CD1 3.4Å; I358-L362 WeakPolarHBondContact O-CG 3.34Å; I358-L362 PolarHBondContact O-N 3.11Å; E360-L362 VanDerWaalsContact C-N 3.26Å; E360-L362 PolarHBondContact O-N 3.34Å; L362-C367 VanDerWaalsContact O-CB 3.29Å; L362-C367 WeakPolarHBondContact O-CB 3.21Å; L362-C367 PolarHBondContact O-SG 2.96Å; L362-C367 VanDerWaalsContact O-SG 3.34Å; L362-L382 HydrophobicContact CD2-CD1 4.27Å; L362-L382 HydrophobicContact CG-CD1 4.37Å; L362-W385 HydrophobicContact CD2-CB 4.18Å; L362-W385 HydrophobicContact CD2-CG 4.09Å |
| 363 | N | 36.5 | Very low | 38.8 | Very low | 131 Ų | 131 | 87.9 Ų | 87.9 | 70% | 0.701 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -89 | -14.6 | -179.1 | -80.1 | -20 | 0 | 0 | 0 | 114.7 | S359 E360 S365 | S359-N363 WeakPolarHBondContact O-CB 3.49Å; S359-N363 VanDerWaalsContact O-CG 3.28Å; S359-N363 PolarHBondContact O-N 2.87Å; S359-N363 PolarHBondContact O-ND2 3.17Å; E360-N363 PolarHBondContact O-N 3.37Å; N363-S365 VanDerWaalsContact C-N 3.33Å; N363-S365 PolarHBondContact O-N 2.68Å |
| 364 | I | 35 | Very low | 37.9 | Very low | 86 Ų | 86 | 96.4 Ų | 96.4 | 44% | 0.441 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -71.7 | 87.6 | 175.1 | -66.1 | 159.2 | 0 | 0 | 0 | 109.9 | E360 L366 | E360-I364 VanDerWaalsContact O-CG1 3.27Å; E360-I364 WeakPolarHBondContact O-CG1 3.33Å; E360-I364 PolarHBondContact O-N 3.44Å; I364-L366 VanDerWaalsContact C-N 3.31Å; I364-L366 PolarHBondContact O-N 3.05Å |
| 365 | S | 33.8 | Very low | 37.2 | Very low | 109 Ų | 109 | 97.9 Ų | 97.9 | 76% | 0.762 | 51% | 0.512 | S | S | * | . | S | Bend | trans | 64.1 | -4.3 | 158.8 | 71.3 | 0 | 0 | 0 | 0 | 120.6 | N363 | N363-S365 VanDerWaalsContact C-N 3.33Å; N363-S365 PolarHBondContact O-N 2.68Å |
| 366 | L | 34.6 | Very low | 37.3 | Very low | 122 Ų | 122 | 103.9 Ų | 103.9 | 64% | 0.639 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -115.2 | -8.6 | -173.3 | -79.2 | 145.6 | 0 | 0 | 0 | 115.9 | I364 W385 | I364-L366 VanDerWaalsContact C-N 3.31Å; I364-L366 PolarHBondContact O-N 3.05Å; L366-W385 HydrophobicContact CB-CZ2 4.29Å |
| 367 | C | 31.2 | Very low | 37.4 | Very low | 35 Ų | 35 | 104 Ų | 104 | 24% | 0.236 | 54% | 0.54 | C | S | . | . | trans | -114.2 | 71.3 | -178.7 | -65.1 | 0 | 0 | 0 | 0 | 112.9 | L362 S369 W385 | L362-C367 VanDerWaalsContact O-CB 3.29Å; L362-C367 WeakPolarHBondContact O-CB 3.21Å; L362-C367 PolarHBondContact O-SG 2.96Å; L362-C367 VanDerWaalsContact O-SG 3.34Å; C367-S369 VanDerWaalsContact C-N 3.3Å; C367-S369 PolarHBondContact O-N 3.34Å; C367-W385 PolarHBondContact SG-NE1 2.94Å | ||
| 368 | K | 32.3 | Very low | 37.5 | Very low | 212 Ų | 212 | 103.3 Ų | 103.3 | 92% | 0.922 | 54% | 0.538 | S | S | * | . | trans | -92.2 | 47.1 | 165.3 | -79.6 | -170.9 | 176.5 | -178.6 | 0 | 112 | ||||
| 369 | S | 34.9 | Very low | 37.9 | Very low | 81 Ų | 81 | 105.6 Ų | 105.6 | 57% | 0.566 | 55% | 0.548 | S | S | * | . | trans | -115.5 | 111.9 | 169.5 | 61.8 | 0 | 0 | 0 | 0 | 109.9 | C367 K371 | C367-S369 VanDerWaalsContact C-N 3.3Å; C367-S369 PolarHBondContact O-N 3.34Å; S369-K371 PolarHBondContact O-N 2.83Å | ||
| 370 | E | 32.4 | Very low | 38.9 | Very low | 202 Ų | 202 | 103.8 Ų | 103.8 | 94% | 0.944 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -64.2 | 31.8 | -172.6 | -65.3 | 177.5 | 140.5 | 0 | 0 | 116.2 | ||
| 371 | K | 36 | Very low | 39.9 | Very low | 192 Ų | 192 | 98.8 Ų | 98.8 | 84% | 0.835 | 51% | 0.511 | S | S | * | . | trans | -142.6 | 36.6 | -174.4 | -68.2 | -169.4 | 179.2 | 179.6 | 0 | 115.8 | S369 S373 | S369-K371 PolarHBondContact O-N 2.83Å; K371-S373 PolarHBondContact O-N 3.12Å | ||
| 372 | I | 38.5 | Very low | 40.6 | Very low | 102 Ų | 102 | 98.3 Ų | 98.3 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | trans | -92.8 | 83.8 | 166.8 | -53.2 | 176.4 | 0 | 0 | 0 | 108 | ||||
| 373 | S | 37 | Very low | 41.9 | Very low | 100 Ų | 100 | 98 Ų | 98 | 70% | 0.699 | 51% | 0.507 | S | S | * | . | trans | -66.9 | 130.1 | 170.5 | 51.4 | 0 | 0 | 0 | 0 | 110.2 | K371 S375 | K371-S373 PolarHBondContact O-N 3.12Å; S373-S375 PolarHBondContact O-N 3.4Å | ||
| 374 | H | 35.7 | Very low | 43.1 | Very low | 204 Ų | 204 | 91.9 Ų | 91.9 | 94% | 0.944 | 48% | 0.475 | S | S | * | . | trans | -25.5 | 95 | 174.1 | -58.1 | -70.8 | 0 | 0 | 0 | 115 | ||||
| 375 | S | 37.9 | Very low | 44.4 | Very low | 51 Ų | 51 | 90.4 Ų | 90.4 | 36% | 0.357 | 46% | 0.464 | S | S | . | . | trans | -100.5 | 139.9 | 173.8 | 124.3 | 0 | 0 | 0 | 0 | 110 | S373 N377 D381 | S373-S375 PolarHBondContact O-N 3.4Å; S375-N377 PolarHBondContact O-N 2.91Å; S375-N377 VanDerWaalsContact O-N 3.13Å; S375-D381 WeakPolarHBondContact CB-OD2 3.37Å; S375-D381 PolarHBondContact OG-OD1 3.17Å; S375-D381 PolarHBondContact OG-OD2 2.97Å | ||
| 376 | K | 46.2 | Very low | 45.7 | Very low | 205 Ų | 205 | 85.7 Ų | 85.7 | 89% | 0.891 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -70.7 | -1.8 | -171.6 | -74.6 | 176.3 | 176.8 | 173.7 | 0 | 114.2 | ||
| 377 | N | 51.9 | Low | 47.2 | Very low | 50 Ų | 50 | 80 Ų | 80 | 27% | 0.267 | 40% | 0.4 | S | S | . | . | trans | -144.5 | 89.7 | -172.7 | -145.7 | -10.1 | 0 | 0 | 0 | 112.7 | S375 H379 I380 D381 | S375-N377 PolarHBondContact O-N 2.91Å; S375-N377 VanDerWaalsContact O-N 3.13Å; N377-H379 PolarHBondContact O-N 2.96Å; N377-H379 VanDerWaalsContact O-N 3.17Å; N377-I380 HydrophobicContact CB-CB 4.29Å; N377-I380 HydrophobicContact CB-CD1 3.78Å; N377-I380 HydrophobicContact CB-CG1 4Å; N377-I380 VanDerWaalsContact ND2-CD1 3.29Å; N377-I380 WeakPolarHBondContact ND2-CD1 3.29Å; N377-I380 WeakPolarHBondContact O-CB 3.03Å; N377-I380 PolarHBondContact O-N 3.4Å; N377-D381 PolarHBondContact O-N 3.38Å | ||
| 378 | P | 46.2 | Very low | 49.1 | Very low | 28 Ų | 28 | 83.5 Ų | 83.5 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.3 | -29.8 | -172.1 | 21.9 | -30.9 | 0 | 0 | 0 | 113 | K355 I358 I380 D381 L382 | K355-P378 HydrophobicContact CB-CG 3.62Å; K355-P378 HydrophobicContact CD-CG 4.11Å; K355-P378 HydrophobicContact CG-CG 3.78Å; K355-P378 WeakPolarHBondContact O-CG 3.45Å; I358-P378 HydrophobicContact CB-CB 4.04Å; I358-P378 HydrophobicContact CD1-CB 4.06Å; I358-P378 HydrophobicContact CD1-CG 4.39Å; I358-P378 HydrophobicContact CG2-CB 3.84Å; I358-P378 WeakPolarHBondContact CG2-O 3.42Å; P378-I380 VanDerWaalsContact C-N 3.28Å; P378-I380 PolarHBondContact O-N 2.88Å; P378-D381 PolarHBondContact O-N 3.33Å; P378-L382 PolarHBondContact O-N 2.88Å |
| 379 | H | 51.1 | Low | 50.7 | Low | 54 Ų | 54 | 77.4 Ų | 77.4 | 25% | 0.25 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.2 | -39.3 | 173.7 | -63.5 | -76.8 | 0 | 0 | 0 | 112.5 | A353 K355 I358 N377 L382 I383 | A353-H379 VanDerWaalsContact CB-CE1 3.45Å; A353-H379 WeakPolarHBondContact CB-CE1 2.95Å; K355-H379 WeakPolarHBondContact CG-NE2 3.08Å; I358-H379 HydrophobicContact CD1-CB 4.28Å; I358-H379 WeakPolarHBondContact CD1-CE1 3.44Å; I358-H379 WeakPolarHBondContact CD1-ND1 3.33Å; N377-H379 PolarHBondContact O-N 2.96Å; N377-H379 VanDerWaalsContact O-N 3.17Å; H379-L382 PolarHBondContact O-N 3.49Å; H379-I383 WeakPolarHBondContact O-CB 3.38Å; H379-I383 WeakPolarHBondContact O-CD1 3.46Å; H379-I383 WeakPolarHBondContact O-CG1 3.37Å; H379-I383 PolarHBondContact O-N 2.68Å |
| 380 | I | 59 | Low | 52.1 | Low | 20 Ų | 20 | 76.9 Ų | 76.9 | 10% | 0.103 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -70.9 | -37.3 | 179.6 | -61.6 | -178.7 | 0 | 0 | 0 | 110.2 | N377 P378 I383 S384 A411 Y414 L415 | N377-I380 HydrophobicContact CB-CB 4.29Å; N377-I380 HydrophobicContact CB-CD1 3.78Å; N377-I380 HydrophobicContact CB-CG1 4Å; N377-I380 VanDerWaalsContact ND2-CD1 3.29Å; N377-I380 WeakPolarHBondContact ND2-CD1 3.29Å; N377-I380 WeakPolarHBondContact O-CB 3.03Å; N377-I380 PolarHBondContact O-N 3.4Å; P378-I380 VanDerWaalsContact C-N 3.28Å; P378-I380 PolarHBondContact O-N 2.88Å; I380-I383 PolarHBondContact O-N 2.8Å; I380-S384 WeakPolarHBondContact O-CB 3.29Å; I380-S384 PolarHBondContact O-N 3.43Å; I380-S384 PolarHBondContact O-OG 3.25Å; I380-A411 HydrophobicContact CD1-CB 3.24Å; I380-A411 HydrophobicContact CG1-CB 4.45Å; I380-Y414 HydrophobicContact CG2-CD1 3.39Å; I380-Y414 HydrophobicContact CG2-CE1 3.76Å; I380-Y414 HydrophobicContact CG2-CG 4.44Å; I380-L415 HydrophobicContact CG2-CD1 4.49Å; I380-L415 HydrophobicContact CG2-CD2 4.05Å; I380-L415 HydrophobicContact CG2-CG 4.07Å |
| 381 | D | 55.9 | Low | 53.3 | Low | 22 Ų | 22 | 68.4 Ų | 68.4 | 12% | 0.118 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 176 | -70.6 | -32.4 | 0 | 0 | 0 | 112.3 | S375 N377 P378 S384 W385 Y414 | S375-D381 WeakPolarHBondContact CB-OD2 3.37Å; S375-D381 PolarHBondContact OG-OD1 3.17Å; S375-D381 PolarHBondContact OG-OD2 2.97Å; N377-D381 PolarHBondContact O-N 3.38Å; P378-D381 PolarHBondContact O-N 3.33Å; D381-S384 WeakPolarHBondContact O-CB 3.36Å; D381-S384 PolarHBondContact O-N 2.82Å; D381-W385 WeakPolarHBondContact O-CB 3.17Å; D381-W385 PolarHBondContact O-N 2.54Å; D381-Y414 PolarHBondContact OD1-OH 3.02Å; D381-Y414 VanDerWaalsContact OD1-OH 3.08Å |
| 382 | L | 52.5 | Low | 54.7 | Low | 34 Ų | 34 | 60.6 Ų | 60.6 | 18% | 0.178 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.9 | -47.6 | 173.3 | -171.4 | 70.4 | 0 | 0 | 0 | 111.3 | I358 L362 P378 H379 S384 W385 T386 | I358-L382 HydrophobicContact CG1-CD2 4.2Å; I358-L382 HydrophobicContact CG2-CB 3.71Å; I358-L382 HydrophobicContact CG2-CD1 4.26Å; I358-L382 HydrophobicContact CG2-CD2 4.38Å; I358-L382 HydrophobicContact CG2-CG 4.34Å; L362-L382 HydrophobicContact CD2-CD1 4.27Å; L362-L382 HydrophobicContact CG-CD1 4.37Å; P378-L382 PolarHBondContact O-N 2.88Å; H379-L382 PolarHBondContact O-N 3.49Å; L382-S384 VanDerWaalsContact C-N 3.28Å; L382-S384 PolarHBondContact O-N 3.48Å; L382-W385 PolarHBondContact O-N 2.91Å; L382-T386 WeakPolarHBondContact O-CG2 3.41Å; L382-T386 PolarHBondContact O-N 3.22Å; L382-T386 PolarHBondContact O-OG1 3.36Å |
| 383 | I | 61.4 | Low | 56.3 | Low | 18 Ų | 18 | 55.9 Ų | 55.9 | 9% | 0.092 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 176.5 | -66.8 | 165 | 0 | 0 | 0 | 109.1 | H379 I380 W385 T386 L387 Y396 W399 L415 | H379-I383 WeakPolarHBondContact O-CB 3.38Å; H379-I383 WeakPolarHBondContact O-CD1 3.46Å; H379-I383 WeakPolarHBondContact O-CG1 3.37Å; H379-I383 PolarHBondContact O-N 2.68Å; I380-I383 PolarHBondContact O-N 2.8Å; I383-W385 VanDerWaalsContact C-N 3.34Å; I383-W385 PolarHBondContact O-N 3.36Å; I383-T386 WeakPolarHBondContact CA-OG1 3.3Å; I383-T386 PolarHBondContact O-N 2.95Å; I383-T386 VanDerWaalsContact O-N 3.13Å; I383-T386 PolarHBondContact O-OG1 3.29Å; I383-L387 HydrophobicContact CG2-CD1 4.12Å; I383-L387 HydrophobicContact CG2-CG 4.3Å; I383-L387 VanDerWaalsContact O-CG 3.3Å; I383-L387 WeakPolarHBondContact O-CG 3.42Å; I383-L387 PolarHBondContact O-N 3.13Å; I383-Y396 HydrophobicContact CG1-CD1 4.1Å; I383-Y396 HydrophobicContact CG1-CE1 3.9Å; I383-Y396 HydrophobicContact CG2-CD1 4.07Å; I383-Y396 HydrophobicContact CG2-CG 4.27Å; I383-W399 HydrophobicContact CD1-CE3 4.46Å; I383-W399 HydrophobicContact CD1-CH2 4.3Å; I383-W399 HydrophobicContact CD1-CZ3 3.78Å; I383-L415 HydrophobicContact CB-CD2 4.09Å; I383-L415 HydrophobicContact CG2-CD2 3.6Å |
| 384 | S | 62.3 | Low | 58.1 | Low | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.6 | -45.2 | 177 | -67.2 | 0 | 0 | 0 | 0 | 112.6 | I380 D381 L382 L387 E388 Y414 R418 | I380-S384 WeakPolarHBondContact O-CB 3.29Å; I380-S384 PolarHBondContact O-N 3.43Å; I380-S384 PolarHBondContact O-OG 3.25Å; D381-S384 WeakPolarHBondContact O-CB 3.36Å; D381-S384 PolarHBondContact O-N 2.82Å; L382-S384 VanDerWaalsContact C-N 3.28Å; L382-S384 PolarHBondContact O-N 3.48Å; S384-L387 PolarHBondContact O-N 2.96Å; S384-E388 WeakPolarHBondContact O-CB 3.39Å; S384-E388 VanDerWaalsContact O-CG 3.3Å; S384-E388 WeakPolarHBondContact O-CG 3.42Å; S384-E388 PolarHBondContact O-N 2.97Å; S384-Y414 WeakPolarHBondContact OG-CD1 3.16Å; S384-Y414 WeakPolarHBondContact OG-CE1 3.46Å; S384-R418 WeakPolarHBondContact OG-CD 3.15Å |
| 385 | W | 62.4 | Low | 59.6 | Low | 54 Ų | 54 | 48.1 Ų | 48.1 | 21% | 0.205 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 175.2 | -178.6 | 91 | 0 | 0 | 0 | 111.8 | L362 L366 C367 D381 L382 I383 L387 E388 H389 L391 | L362-W385 HydrophobicContact CD2-CB 4.18Å; L362-W385 HydrophobicContact CD2-CG 4.09Å; L366-W385 HydrophobicContact CB-CZ2 4.29Å; C367-W385 PolarHBondContact SG-NE1 2.94Å; D381-W385 WeakPolarHBondContact O-CB 3.17Å; D381-W385 PolarHBondContact O-N 2.54Å; L382-W385 PolarHBondContact O-N 2.91Å; I383-W385 VanDerWaalsContact C-N 3.34Å; I383-W385 PolarHBondContact O-N 3.36Å; W385-L387 VanDerWaalsContact C-N 3.32Å; W385-L387 PolarHBondContact O-N 3.32Å; W385-E388 PolarHBondContact O-N 3.12Å; W385-H389 AromaticContact CD1-CE1 3.55Å; W385-H389 AromaticContact CD1-ND1 3.83Å; W385-H389 AromaticContact CD2-ND1 3.81Å; W385-H389 AromaticContact CE2-CE1 3.48Å; W385-H389 VanDerWaalsContact CE2-CE1 3.48Å; W385-H389 AromaticContact CE2-ND1 3.59Å; W385-H389 AromaticContact CE2-NE2 3.8Å; W385-H389 AromaticContact CG-ND1 3.96Å; W385-H389 AromaticContact CZ2-CD2 3.88Å; W385-H389 AromaticContact CZ2-CE1 4Å; W385-H389 AromaticContact CZ2-NE2 3.86Å; W385-H389 AromaticContact NE1-CE1 3.12Å; W385-H389 PolarHBondContact NE1-CE1 3.09Å; W385-H389 AromaticContact NE1-ND1 3.61Å; W385-H389 AromaticContact NE1-NE2 3.65Å; W385-H389 PolarHBondContact O-N 2.97Å; W385-H389 PolarHBondContact O-ND1 3.11Å; W385-L391 HydrophobicContact CZ3-CD1 4.16Å |
| 386 | T | 61.4 | Low | 61.1 | Low | 10 Ų | 10 | 47.1 Ų | 47.1 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.4 | -37.5 | 176.9 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | L382 I383 H389 S390 L391 Y396 | L382-T386 WeakPolarHBondContact O-CG2 3.41Å; L382-T386 PolarHBondContact O-N 3.22Å; L382-T386 PolarHBondContact O-OG1 3.36Å; I383-T386 WeakPolarHBondContact CA-OG1 3.3Å; I383-T386 PolarHBondContact O-N 2.95Å; I383-T386 VanDerWaalsContact O-N 3.13Å; I383-T386 PolarHBondContact O-OG1 3.29Å; T386-H389 CarbonylContact O-C 3.54Å; T386-H389 PolarHBondContact O-N 2.89Å; T386-S390 PolarHBondContact O-N 3.36Å; T386-L391 PolarHBondContact O-N 2.88Å; T386-Y396 HydrophobicContact CG2-CE2 4.3Å; T386-Y396 WeakPolarHBondContact OG1-CE2 3.1Å |
| 387 | L | 65.6 | Low | 62.4 | Low | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.7 | -51.8 | 173.4 | -67.9 | 178.2 | 0 | 0 | 0 | 110 | I383 S384 W385 H389 S390 V393 L415 R418 L419 H422 | I383-L387 HydrophobicContact CG2-CD1 4.12Å; I383-L387 HydrophobicContact CG2-CG 4.3Å; I383-L387 VanDerWaalsContact O-CG 3.3Å; I383-L387 WeakPolarHBondContact O-CG 3.42Å; I383-L387 PolarHBondContact O-N 3.13Å; S384-L387 PolarHBondContact O-N 2.96Å; W385-L387 VanDerWaalsContact C-N 3.32Å; W385-L387 PolarHBondContact O-N 3.32Å; L387-H389 PolarHBondContact O-N 3.39Å; L387-H389 VanDerWaalsContact O-N 3.09Å; L387-S390 PolarHBondContact O-N 3.03Å; L387-V393 HydrophobicContact CD2-CB 4.21Å; L387-V393 HydrophobicContact CD2-CG1 3.95Å; L387-V393 HydrophobicContact CD2-CG2 4.11Å; L387-L415 HydrophobicContact CD1-CD2 4.26Å; L387-R418 HydrophobicContact CD1-CB 4.31Å; L387-L419 HydrophobicContact CD1-CD2 3.69Å; L387-L419 HydrophobicContact CD1-CG 3.95Å; L387-L419 HydrophobicContact CD2-CD2 3.52Å; L387-L419 HydrophobicContact CG-CD2 4.22Å; L387-H422 PolarHBondContact O-CE1 3.03Å; L387-H422 PolarHBondContact O-NE2 3.33Å |
| 388 | E | 70.5 | Confident | 63.5 | Low | 108 Ų | 108 | 38.7 Ų | 38.7 | 51% | 0.505 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -55.2 | -31.6 | 177.4 | -73.5 | 170.4 | -169.1 | 0 | 0 | 113 | S384 W385 R418 | S384-E388 WeakPolarHBondContact O-CB 3.39Å; S384-E388 VanDerWaalsContact O-CG 3.3Å; S384-E388 WeakPolarHBondContact O-CG 3.42Å; S384-E388 PolarHBondContact O-N 2.97Å; W385-E388 PolarHBondContact O-N 3.12Å; E388-R418 IonicContact OE1-CZ 2.68Å; E388-R418 IonicContact OE1-NE 3.05Å; E388-R418 PolarHBondContact OE1-NE 3Å; E388-R418 IonicContact OE1-NH2 2.62Å |
| 389 | H | 65.1 | Low | 64.8 | Low | 84 Ų | 84 | 43 Ų | 43 | 39% | 0.389 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 10 | 177.8 | -67.2 | 67.3 | 0 | 0 | 0 | 114 | W385 T386 L387 L391 | W385-H389 AromaticContact CD1-CE1 3.55Å; W385-H389 AromaticContact CD1-ND1 3.83Å; W385-H389 AromaticContact CD2-ND1 3.81Å; W385-H389 AromaticContact CE2-CE1 3.48Å; W385-H389 VanDerWaalsContact CE2-CE1 3.48Å; W385-H389 AromaticContact CE2-ND1 3.59Å; W385-H389 AromaticContact CE2-NE2 3.8Å; W385-H389 AromaticContact CG-ND1 3.96Å; W385-H389 AromaticContact CZ2-CD2 3.88Å; W385-H389 AromaticContact CZ2-CE1 4Å; W385-H389 AromaticContact CZ2-NE2 3.86Å; W385-H389 AromaticContact NE1-CE1 3.12Å; W385-H389 PolarHBondContact NE1-CE1 3.09Å; W385-H389 AromaticContact NE1-ND1 3.61Å; W385-H389 AromaticContact NE1-NE2 3.65Å; W385-H389 PolarHBondContact O-N 2.97Å; W385-H389 PolarHBondContact O-ND1 3.11Å; T386-H389 CarbonylContact O-C 3.54Å; T386-H389 PolarHBondContact O-N 2.89Å; L387-H389 PolarHBondContact O-N 3.39Å; L387-H389 VanDerWaalsContact O-N 3.09Å; H389-L391 VanDerWaalsContact C-N 3.31Å; H389-L391 HydrophobicContact CB-CD1 4.29Å; H389-L391 HydrophobicContact CB-CG 4.24Å; H389-L391 PolarHBondContact O-N 3.2Å |
| 390 | S | 65.6 | Low | 65.9 | Low | 71 Ų | 71 | 40.8 Ų | 40.8 | 50% | 0.497 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 31.3 | 178.2 | -52.3 | 0 | 0 | 0 | 0 | 115.2 | T386 L387 H422 | T386-S390 PolarHBondContact O-N 3.36Å; L387-S390 PolarHBondContact O-N 3.03Å; S390-H422 PolarHBondContact OG-CE1 3.36Å; S390-H422 VanDerWaalsContact OG-CE1 3.31Å |
| 391 | L | 57.2 | Low | 66.6 | Low | 23 Ų | 23 | 40 Ų | 40 | 12% | 0.12 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -98.7 | 124.6 | -179 | -57.8 | 177.6 | 0 | 0 | 0 | 111.1 | N235 W385 T386 H389 V393 | N235-L391 HydrophobicContact CB-CD1 4.06Å; N235-L391 HydrophobicContact CB-CD2 3.96Å; W385-L391 HydrophobicContact CZ3-CD1 4.16Å; T386-L391 PolarHBondContact O-N 2.88Å; H389-L391 VanDerWaalsContact C-N 3.31Å; H389-L391 HydrophobicContact CB-CD1 4.29Å; H389-L391 HydrophobicContact CB-CG 4.24Å; H389-L391 PolarHBondContact O-N 3.2Å; L391-V393 PolarHBondContact O-N 3.4Å |
| 392 | N | 66 | Low | 67.4 | Low | 28 Ų | 28 | 41.4 Ų | 41.4 | 15% | 0.15 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 46.2 | 35.5 | 178.2 | -68.9 | 4 | 0 | 0 | 0 | 115.4 | I230 H231 T394 D395 Y396 | I230-N392 WeakPolarHBondContact CG2-ND2 3.48Å; H231-N392 PolarHBondContact O-ND2 3.12Å; N392-T394 PolarHBondContact O-N 3.33Å; N392-D395 PolarHBondContact O-N 2.92Å; N392-D395 VanDerWaalsContact O-N 3.12Å; N392-Y396 HydrophobicContact CB-CD2 3.97Å; N392-Y396 HydrophobicContact CB-CE2 4.01Å; N392-Y396 VanDerWaalsContact O-CD2 3.3Å; N392-Y396 WeakPolarHBondContact O-CD2 3.42Å; N392-Y396 PolarHBondContact O-N 2.94Å; N392-Y396 VanDerWaalsContact O-N 3.12Å |
| 393 | V | 72.1 | Confident | 68.1 | Low | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.9 | -36.8 | -174.5 | 176.5 | 0 | 0 | 0 | 0 | 112 | L387 L391 A397 L419 H422 L425 L426 | L387-V393 HydrophobicContact CD2-CB 4.21Å; L387-V393 HydrophobicContact CD2-CG1 3.95Å; L387-V393 HydrophobicContact CD2-CG2 4.11Å; L391-V393 PolarHBondContact O-N 3.4Å; V393-A397 WeakPolarHBondContact O-CB 3.46Å; V393-A397 PolarHBondContact O-N 2.86Å; V393-L419 HydrophobicContact CG1-CD2 4.2Å; V393-H422 HydrophobicContact CG1-CB 3.54Å; V393-L425 HydrophobicContact CB-CD2 3.87Å; V393-L425 HydrophobicContact CG1-CD2 4.1Å; V393-L426 HydrophobicContact CG1-CD2 4.14Å |
| 394 | T | 73.3 | Confident | 68.3 | Low | 63 Ų | 63 | 43.2 Ų | 43.2 | 39% | 0.387 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.1 | -48.9 | 177.2 | 48 | 0 | 0 | 0 | 0 | 112.5 | N392 A397 F398 L425 | N392-T394 PolarHBondContact O-N 3.33Å; T394-A397 PolarHBondContact O-N 3.45Å; T394-F398 WeakPolarHBondContact O-CB 3.46Å; T394-F398 PolarHBondContact O-N 3.12Å; T394-L425 HydrophobicContact CG2-CD2 3.51Å |
| 395 | D | 69.2 | Low | 68.5 | Low | 78 Ų | 78 | 47.9 Ų | 47.9 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -72.6 | -41.8 | -171.5 | -57.6 | -7.8 | 0 | 0 | 0 | 109.9 | N392 F398 W399 | N392-D395 PolarHBondContact O-N 2.92Å; N392-D395 VanDerWaalsContact O-N 3.12Å; D395-F398 PolarHBondContact O-N 3.42Å; D395-W399 WeakPolarHBondContact O-CB 3.34Å; D395-W399 PolarHBondContact O-N 3.17Å |
| 396 | Y | 68.4 | Low | 68.8 | Low | 30 Ų | 30 | 46.4 Ų | 46.4 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.9 | -40.3 | 174.6 | -77.1 | -59.5 | 0 | 0 | 0 | 112.8 | I230 I383 T386 N392 C400 | I230-Y396 WeakPolarHBondContact CD1-OH 3.34Å; I230-Y396 WeakPolarHBondContact CG1-OH 3.24Å; I230-Y396 HydrophobicContact CG2-CE2 4.48Å; I383-Y396 HydrophobicContact CG1-CD1 4.1Å; I383-Y396 HydrophobicContact CG1-CE1 3.9Å; I383-Y396 HydrophobicContact CG2-CD1 4.07Å; I383-Y396 HydrophobicContact CG2-CG 4.27Å; T386-Y396 HydrophobicContact CG2-CE2 4.3Å; T386-Y396 WeakPolarHBondContact OG1-CE2 3.1Å; N392-Y396 HydrophobicContact CB-CD2 3.97Å; N392-Y396 HydrophobicContact CB-CE2 4.01Å; N392-Y396 VanDerWaalsContact O-CD2 3.3Å; N392-Y396 WeakPolarHBondContact O-CD2 3.42Å; N392-Y396 PolarHBondContact O-N 2.94Å; N392-Y396 VanDerWaalsContact O-N 3.12Å; Y396-C400 WeakPolarHBondContact O-CB 3.05Å; Y396-C400 PolarHBondContact O-N 2.89Å |
| 397 | A | 73.4 | Confident | 69 | Low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V393 T394 C400 V401 L419 L426 F432 | V393-A397 WeakPolarHBondContact O-CB 3.46Å; V393-A397 PolarHBondContact O-N 2.86Å; T394-A397 PolarHBondContact O-N 3.45Å; A397-C400 WeakPolarHBondContact O-CB 3.3Å; A397-C400 PolarHBondContact O-N 3.39Å; A397-V401 WeakPolarHBondContact O-CG2 3.3Å; A397-V401 PolarHBondContact O-N 3.32Å; A397-V401 VanDerWaalsContact O-N 3.11Å; A397-L419 HydrophobicContact CB-CD1 4.05Å; A397-L419 HydrophobicContact CB-CD2 3.7Å; A397-L426 HydrophobicContact CB-CD1 4.27Å; A397-L426 HydrophobicContact CB-CD2 3.34Å; A397-L426 HydrophobicContact CB-CG 4.45Å; A397-F432 HydrophobicContact CB-CD2 4.04Å; A397-F432 HydrophobicContact CB-CE2 3.48Å; A397-F432 VanDerWaalsContact CB-CE2 3.48Å; A397-F432 HydrophobicContact CB-CZ 4.09Å; A397-F432 WeakPolarHBondContact O-CE2 3.48Å |
| 398 | F | 76.2 | Confident | 69.1 | Low | 78 Ų | 78 | 57.1 Ų | 57.1 | 34% | 0.342 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.7 | -49.7 | 177 | -159 | -94.7 | 0 | 0 | 0 | 110.9 | T394 D395 C400 V401 T402 L431 S435 | T394-F398 WeakPolarHBondContact O-CB 3.46Å; T394-F398 PolarHBondContact O-N 3.12Å; D395-F398 PolarHBondContact O-N 3.42Å; F398-C400 VanDerWaalsContact C-N 3.33Å; F398-C400 PolarHBondContact O-N 3.31Å; F398-V401 PolarHBondContact O-N 2.87Å; F398-T402 HydrophobicContact CD1-CG2 3.77Å; F398-T402 HydrophobicContact CE1-CG2 3.55Å; F398-T402 HydrophobicContact CG-CG2 4.42Å; F398-T402 HydrophobicContact CZ-CG2 4.03Å; F398-T402 WeakPolarHBondContact O-CG2 3.35Å; F398-T402 PolarHBondContact O-N 3.45Å; F398-T402 PolarHBondContact O-OG1 2.68Å; F398-L431 HydrophobicContact CE2-CB 4.27Å; F398-S435 VanDerWaalsContact CE2-OG 3.29Å; F398-S435 WeakPolarHBondContact CE2-OG 3.46Å; F398-S435 WeakPolarHBondContact CZ-OG 3.44Å |
| 399 | W | 73 | Confident | 68.9 | Low | 120 Ų | 120 | 54.9 Ų | 54.9 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.3 | -43.7 | 175 | 178.5 | 87.4 | 0 | 0 | 0 | 112.7 | I383 D395 V401 T402 S403 I404 | I383-W399 HydrophobicContact CD1-CE3 4.46Å; I383-W399 HydrophobicContact CD1-CH2 4.3Å; I383-W399 HydrophobicContact CD1-CZ3 3.78Å; D395-W399 WeakPolarHBondContact O-CB 3.34Å; D395-W399 PolarHBondContact O-N 3.17Å; W399-V401 PolarHBondContact O-N 3.13Å; W399-T402 PolarHBondContact O-N 3.38Å; W399-S403 WeakPolarHBondContact O-CB 3.34Å; W399-S403 PolarHBondContact O-N 2.79Å; W399-I404 HydrophobicContact CE3-CD1 4.24Å; W399-I404 HydrophobicContact CE3-CG1 4.16Å; W399-I404 HydrophobicContact CH2-CD1 4.32Å; W399-I404 HydrophobicContact CH2-CG1 3.97Å; W399-I404 HydrophobicContact CZ3-CD1 3.7Å; W399-I404 HydrophobicContact CZ3-CG1 3.72Å |
| 400 | C | 74 | Confident | 68.9 | Low | 6 Ų | 6 | 58.7 Ų | 58.7 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.3 | -40.8 | 178.9 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | Y396 A397 F398 I404 | Y396-C400 WeakPolarHBondContact O-CB 3.05Å; Y396-C400 PolarHBondContact O-N 2.89Å; A397-C400 WeakPolarHBondContact O-CB 3.3Å; A397-C400 PolarHBondContact O-N 3.39Å; F398-C400 VanDerWaalsContact C-N 3.33Å; F398-C400 PolarHBondContact O-N 3.31Å; C400-I404 HydrophobicContact CB-CD1 3.96Å; C400-I404 WeakPolarHBondContact O-CB 3.29Å; C400-I404 WeakPolarHBondContact O-CG1 3.49Å; C400-I404 WeakPolarHBondContact SG-CD1 3.47Å |
| 401 | V | 74.1 | Confident | 68.9 | Low | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.024 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -84.4 | -32.9 | -176.6 | 172.8 | 0 | 0 | 0 | 0 | 112.1 | A397 F398 W399 F432 S435 L436 H439 | A397-V401 WeakPolarHBondContact O-CG2 3.3Å; A397-V401 PolarHBondContact O-N 3.32Å; A397-V401 VanDerWaalsContact O-N 3.11Å; F398-V401 PolarHBondContact O-N 2.87Å; W399-V401 PolarHBondContact O-N 3.13Å; V401-F432 HydrophobicContact CB-CE2 4.46Å; V401-F432 HydrophobicContact CG2-CE2 3.71Å; V401-F432 HydrophobicContact CG2-CZ 4.09Å; V401-S435 WeakPolarHBondContact CG1-O 3.43Å; V401-L436 VanDerWaalsContact CG1-CA 3.45Å; V401-L436 HydrophobicContact CG1-CB 4.22Å; V401-L436 HydrophobicContact CG1-CD1 4.39Å; V401-L436 HydrophobicContact CG2-CD1 3.95Å; V401-H439 HydrophobicContact CG1-CB 3.68Å; V401-H439 PolarHBondContact O-ND1 2.84Å |
| 402 | T | 72.5 | Confident | 69.6 | Low | 52 Ų | 52 | 54.7 Ų | 54.7 | 32% | 0.319 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -86.6 | -34.9 | -177.1 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | F398 W399 | F398-T402 HydrophobicContact CD1-CG2 3.77Å; F398-T402 HydrophobicContact CE1-CG2 3.55Å; F398-T402 HydrophobicContact CG-CG2 4.42Å; F398-T402 HydrophobicContact CZ-CG2 4.03Å; F398-T402 WeakPolarHBondContact O-CG2 3.35Å; F398-T402 PolarHBondContact O-N 3.45Å; F398-T402 PolarHBondContact O-OG1 2.68Å; W399-T402 PolarHBondContact O-N 3.38Å |
| 403 | S | 66.1 | Low | 70 | Confident | 68 Ų | 68 | 55.8 Ų | 55.8 | 48% | 0.476 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -120 | -18.7 | -158.5 | -52.7 | 0 | 0 | 0 | 0 | 114.6 | W399 | W399-S403 WeakPolarHBondContact O-CB 3.34Å; W399-S403 PolarHBondContact O-N 2.79Å |
| 404 | I | 67.3 | Low | 70 | Confident | 22 Ų | 22 | 59.6 Ų | 59.6 | 11% | 0.113 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -72.5 | 135.6 | 177.3 | -60.1 | -178.1 | 0 | 0 | 0 | 110.1 | W399 C400 V406 I412 L415 | W399-I404 HydrophobicContact CE3-CD1 4.24Å; W399-I404 HydrophobicContact CE3-CG1 4.16Å; W399-I404 HydrophobicContact CH2-CD1 4.32Å; W399-I404 HydrophobicContact CH2-CG1 3.97Å; W399-I404 HydrophobicContact CZ3-CD1 3.7Å; W399-I404 HydrophobicContact CZ3-CG1 3.72Å; C400-I404 HydrophobicContact CB-CD1 3.96Å; C400-I404 WeakPolarHBondContact O-CB 3.29Å; C400-I404 WeakPolarHBondContact O-CG1 3.49Å; C400-I404 WeakPolarHBondContact SG-CD1 3.47Å; I404-V406 PolarHBondContact O-N 3.47Å; I404-I412 HydrophobicContact CB-CG1 4.34Å; I404-I412 HydrophobicContact CG2-CD1 3.83Å; I404-I412 HydrophobicContact CG2-CG1 3.58Å; I404-L415 HydrophobicContact CD1-CD1 3.69Å |
| 405 | D | 65.2 | Low | 70.1 | Confident | 100 Ų | 100 | 56.7 Ų | 56.7 | 54% | 0.535 | 28% | 0.278 | S | S | . | . | trans | -62.7 | 125.1 | 173.4 | -170.8 | -9.2 | 0 | 0 | 0 | 109.6 | K407 D408 | D405-K407 PolarHBondContact O-N 3.38Å; D405-K407 PolarHBondContact OD1-N 2.9Å; D405-K407 VanDerWaalsContact OD1-N 3.11Å; D405-D408 PolarHBondContact O-N 3.14Å | ||
| 406 | V | 68.3 | Low | 70.6 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 14% | 0.139 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -22.9 | 179.3 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | I404 D408 R442 V443 A446 L448 | I404-V406 PolarHBondContact O-N 3.47Å; V406-D408 VanDerWaalsContact C-N 3.34Å; V406-R442 HydrophobicContact CG2-CB 4.02Å; V406-V443 HydrophobicContact CG1-CG2 4Å; V406-A446 HydrophobicContact CG1-CB 4.06Å; V406-L448 HydrophobicContact CG1-CD1 3.65Å; V406-L448 WeakPolarHBondContact O-CD1 3.15Å |
| 407 | K | 67.3 | Low | 71.1 | Confident | 172 Ų | 172 | 54.2 Ų | 54.2 | 75% | 0.748 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -19.4 | 177 | -65.2 | 179.4 | -179.3 | 177.7 | 0 | 114.6 | D405 I409 | D405-K407 PolarHBondContact O-N 3.38Å; D405-K407 PolarHBondContact OD1-N 2.9Å; D405-K407 VanDerWaalsContact OD1-N 3.11Å; K407-I409 VanDerWaalsContact C-N 3.3Å; K407-I409 PolarHBondContact O-N 3.11Å; K407-I409 VanDerWaalsContact O-N 3.09Å |
| 408 | D | 67.3 | Low | 71.4 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 36% | 0.358 | 28% | 0.28 | S | S | . | . | trans | -87.9 | 68.6 | -179.9 | -160.2 | -11.9 | 0 | 0 | 0 | 111.3 | D405 V406 E410 A411 I412 | D405-D408 PolarHBondContact O-N 3.14Å; V406-D408 VanDerWaalsContact C-N 3.34Å; D408-E410 VanDerWaalsContact C-N 3.28Å; D408-E410 PolarHBondContact O-N 3.28Å; D408-A411 HydrophobicContact CB-CB 4.09Å; D408-A411 PolarHBondContact O-N 3.33Å; D408-A411 WeakPolarHBondContact OD1-CB 3.06Å; D408-A411 PolarHBondContact OD1-N 3.08Å; D408-A411 WeakPolarHBondContact OD2-CB 3.44Å; D408-I412 WeakPolarHBondContact O-CG1 3.36Å; D408-I412 PolarHBondContact O-N 2.94Å; D408-I412 VanDerWaalsContact O-N 3.11Å | ||
| 409 | I | 65.3 | Low | 71.7 | Confident | 61 Ų | 61 | 53 Ų | 53 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.3 | -37.4 | -173.2 | -59.3 | 162.1 | 0 | 0 | 0 | 111.6 | K407 N413 L448 P449 | K407-I409 VanDerWaalsContact C-N 3.3Å; K407-I409 PolarHBondContact O-N 3.11Å; K407-I409 VanDerWaalsContact O-N 3.09Å; I409-N413 VanDerWaalsContact CG2-ND2 3.33Å; I409-N413 WeakPolarHBondContact CG2-ND2 3.46Å; I409-N413 WeakPolarHBondContact O-CB 3.43Å; I409-N413 VanDerWaalsContact O-CG 3.3Å; I409-N413 PolarHBondContact O-N 2.91Å; I409-N413 PolarHBondContact O-ND2 2.91Å; I409-L448 HydrophobicContact CD1-CD1 4.22Å; I409-L448 HydrophobicContact CD1-CD2 3.49Å; I409-L448 VanDerWaalsContact CD1-CD2 3.49Å; I409-L448 HydrophobicContact CD1-CG 4.39Å; I409-L448 HydrophobicContact CG1-CD1 3.97Å; I409-L448 HydrophobicContact CG1-CD2 4.16Å; I409-P449 HydrophobicContact CG2-CG 4.35Å |
| 410 | E | 66.5 | Low | 72.2 | Confident | 163 Ų | 163 | 50.8 Ų | 50.8 | 76% | 0.762 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.5 | -46.5 | -179.2 | -70.4 | -175.3 | 177.8 | 0 | 0 | 110.9 | D408 Y414 | D408-E410 VanDerWaalsContact C-N 3.28Å; D408-E410 PolarHBondContact O-N 3.28Å; E410-Y414 VanDerWaalsContact O-CB 3.23Å; E410-Y414 WeakPolarHBondContact O-CB 3.47Å; E410-Y414 PolarHBondContact O-N 3.21Å |
| 411 | A | 64.7 | Low | 72.6 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I380 D408 Y414 L415 | I380-A411 HydrophobicContact CD1-CB 3.24Å; I380-A411 HydrophobicContact CG1-CB 4.45Å; D408-A411 HydrophobicContact CB-CB 4.09Å; D408-A411 PolarHBondContact O-N 3.33Å; D408-A411 WeakPolarHBondContact OD1-CB 3.06Å; D408-A411 PolarHBondContact OD1-N 3.08Å; D408-A411 WeakPolarHBondContact OD2-CB 3.44Å; A411-Y414 PolarHBondContact O-N 3.23Å; A411-L415 WeakPolarHBondContact O-CB 3.46Å; A411-L415 WeakPolarHBondContact O-CG 3.21Å; A411-L415 PolarHBondContact O-N 3.32Å |
| 412 | I | 72.1 | Confident | 73.1 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.7 | -48.7 | -176.9 | -68.2 | 170.8 | 0 | 0 | 0 | 110.4 | I404 D408 Y414 L415 L416 | I404-I412 HydrophobicContact CB-CG1 4.34Å; I404-I412 HydrophobicContact CG2-CD1 3.83Å; I404-I412 HydrophobicContact CG2-CG1 3.58Å; D408-I412 WeakPolarHBondContact O-CG1 3.36Å; D408-I412 PolarHBondContact O-N 2.94Å; D408-I412 VanDerWaalsContact O-N 3.11Å; I412-Y414 VanDerWaalsContact C-N 3.27Å; I412-Y414 PolarHBondContact O-N 3.33Å; I412-L415 PolarHBondContact O-N 2.86Å; I412-L416 HydrophobicContact CG2-CD1 3.45Å; I412-L416 VanDerWaalsContact CG2-CD1 3.45Å; I412-L416 HydrophobicContact CG2-CG 3.91Å; I412-L416 WeakPolarHBondContact O-CB 3.41Å; I412-L416 WeakPolarHBondContact O-CG 3.21Å; I412-L416 PolarHBondContact O-N 3.43Å |
| 413 | N | 73.2 | Confident | 73.6 | Confident | 51 Ų | 51 | 53.9 Ų | 53.9 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.4 | -36.3 | 179.2 | -74.4 | -27.2 | 0 | 0 | 0 | 112.5 | I409 S417 | I409-N413 VanDerWaalsContact CG2-ND2 3.33Å; I409-N413 WeakPolarHBondContact CG2-ND2 3.46Å; I409-N413 WeakPolarHBondContact O-CB 3.43Å; I409-N413 VanDerWaalsContact O-CG 3.3Å; I409-N413 PolarHBondContact O-N 2.91Å; I409-N413 PolarHBondContact O-ND2 2.91Å; N413-S417 PolarHBondContact O-N 3.3Å; N413-S417 PolarHBondContact O-OG 3.29Å |
| 414 | Y | 72.5 | Confident | 74.5 | Confident | 82 Ų | 82 | 57.9 Ų | 57.9 | 32% | 0.322 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.9 | -37 | 177.5 | -173.4 | -99.9 | 0 | 0 | 0 | 113 | I380 D381 S384 E410 A411 I412 S417 R418 | I380-Y414 HydrophobicContact CG2-CD1 3.39Å; I380-Y414 HydrophobicContact CG2-CE1 3.76Å; I380-Y414 HydrophobicContact CG2-CG 4.44Å; D381-Y414 PolarHBondContact OD1-OH 3.02Å; D381-Y414 VanDerWaalsContact OD1-OH 3.08Å; S384-Y414 WeakPolarHBondContact OG-CD1 3.16Å; S384-Y414 WeakPolarHBondContact OG-CE1 3.46Å; E410-Y414 VanDerWaalsContact O-CB 3.23Å; E410-Y414 WeakPolarHBondContact O-CB 3.47Å; E410-Y414 PolarHBondContact O-N 3.21Å; A411-Y414 PolarHBondContact O-N 3.23Å; I412-Y414 VanDerWaalsContact C-N 3.27Å; I412-Y414 PolarHBondContact O-N 3.33Å; Y414-S417 PolarHBondContact O-OG 2.79Å; Y414-R418 VanDerWaalsContact CD1-NH1 3.29Å; Y414-R418 VanDerWaalsContact CG-NH1 3.33Å; Y414-R418 PolarHBondContact O-NH1 2.83Å; Y414-R418 PolarHBondContact OH-NH2 3.37Å |
| 415 | L | 75.6 | Confident | 75.2 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -78 | -43 | 177 | -70.7 | 171.9 | 0 | 0 | 0 | 112.4 | I380 I383 L387 I404 A411 I412 S417 R418 L419 | I380-L415 HydrophobicContact CG2-CD1 4.49Å; I380-L415 HydrophobicContact CG2-CD2 4.05Å; I380-L415 HydrophobicContact CG2-CG 4.07Å; I383-L415 HydrophobicContact CB-CD2 4.09Å; I383-L415 HydrophobicContact CG2-CD2 3.6Å; L387-L415 HydrophobicContact CD1-CD2 4.26Å; I404-L415 HydrophobicContact CD1-CD1 3.69Å; A411-L415 WeakPolarHBondContact O-CB 3.46Å; A411-L415 WeakPolarHBondContact O-CG 3.21Å; A411-L415 PolarHBondContact O-N 3.32Å; I412-L415 PolarHBondContact O-N 2.86Å; L415-S417 VanDerWaalsContact C-N 3.33Å; L415-S417 PolarHBondContact O-N 2.89Å; L415-R418 PolarHBondContact O-N 3.24Å; L415-R418 VanDerWaalsContact O-N 3.09Å; L415-L419 WeakPolarHBondContact O-CG 3.48Å; L415-L419 PolarHBondContact O-N 3.32Å |
| 416 | L | 79.5 | Confident | 76 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 179.9 | -73 | 174.3 | 0 | 0 | 0 | 112.4 | I412 R418 L419 L420 E452 L456 | I412-L416 HydrophobicContact CG2-CD1 3.45Å; I412-L416 VanDerWaalsContact CG2-CD1 3.45Å; I412-L416 HydrophobicContact CG2-CG 3.91Å; I412-L416 WeakPolarHBondContact O-CB 3.41Å; I412-L416 WeakPolarHBondContact O-CG 3.21Å; I412-L416 PolarHBondContact O-N 3.43Å; L416-R418 PolarHBondContact O-N 2.99Å; L416-L419 PolarHBondContact O-N 3.38Å; L416-L419 VanDerWaalsContact O-N 3.13Å; L416-L420 PolarHBondContact O-N 3.05Å; L416-E452 HydrophobicContact CB-CB 4.46Å; L416-E452 HydrophobicContact CD1-CB 4.22Å; L416-L456 HydrophobicContact CD2-CD2 3.51Å |
| 417 | S | 80 | Confident | 76.6 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62 | -31.4 | 177.2 | 54.7 | 0 | 0 | 0 | 0 | 112.7 | N413 Y414 L415 L420 | N413-S417 PolarHBondContact O-N 3.3Å; N413-S417 PolarHBondContact O-OG 3.29Å; Y414-S417 PolarHBondContact O-OG 2.79Å; L415-S417 VanDerWaalsContact C-N 3.33Å; L415-S417 PolarHBondContact O-N 2.89Å; S417-L420 WeakPolarHBondContact O-CB 3.19Å |
| 418 | R | 78.3 | Confident | 77.2 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -83.6 | -18 | 175 | -72.6 | -177.4 | 170.3 | 83.2 | -10 | 114.7 | S384 L387 E388 Y414 L415 L416 L420 P421 H422 | S384-R418 WeakPolarHBondContact OG-CD 3.15Å; L387-R418 HydrophobicContact CD1-CB 4.31Å; E388-R418 IonicContact OE1-CZ 2.68Å; E388-R418 IonicContact OE1-NE 3.05Å; E388-R418 PolarHBondContact OE1-NE 3Å; E388-R418 IonicContact OE1-NH2 2.62Å; Y414-R418 VanDerWaalsContact CD1-NH1 3.29Å; Y414-R418 VanDerWaalsContact CG-NH1 3.33Å; Y414-R418 PolarHBondContact O-NH1 2.83Å; Y414-R418 PolarHBondContact OH-NH2 3.37Å; L415-R418 PolarHBondContact O-N 3.24Å; L415-R418 VanDerWaalsContact O-N 3.09Å; L416-R418 PolarHBondContact O-N 2.99Å; R418-L420 VanDerWaalsContact C-N 3.34Å; R418-P421 VanDerWaalsContact O-CD 3.31Å; R418-P421 WeakPolarHBondContact O-CD 3.34Å; R418-H422 PolarHBondContact O-CD2 3.36Å |
| 419 | L | 82.2 | Confident | 77.7 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -77.6 | -23.5 | 171.3 | -72.1 | 172.6 | 0 | 0 | 0 | 112.3 | L387 V393 A397 L415 L416 P421 H422 L426 L456 | L387-L419 HydrophobicContact CD1-CD2 3.69Å; L387-L419 HydrophobicContact CD1-CG 3.95Å; L387-L419 HydrophobicContact CD2-CD2 3.52Å; L387-L419 HydrophobicContact CG-CD2 4.22Å; V393-L419 HydrophobicContact CG1-CD2 4.2Å; A397-L419 HydrophobicContact CB-CD1 4.05Å; A397-L419 HydrophobicContact CB-CD2 3.7Å; L415-L419 WeakPolarHBondContact O-CG 3.48Å; L415-L419 PolarHBondContact O-N 3.32Å; L416-L419 PolarHBondContact O-N 3.38Å; L416-L419 VanDerWaalsContact O-N 3.13Å; L419-P421 VanDerWaalsContact C-CD 3.5Å; L419-H422 PolarHBondContact O-N 3.31Å; L419-L426 HydrophobicContact CB-CD1 4.35Å; L419-L426 HydrophobicContact CD2-CD1 4.42Å; L419-L456 HydrophobicContact CB-CD1 4.04Å; L419-L456 HydrophobicContact CB-CD2 4.17Å; L419-L456 HydrophobicContact CD1-CD2 4.35Å |
| 420 | L | 83.7 | Confident | 78.5 | Confident | 72 Ų | 72 | 53.2 Ų | 53.2 | 38% | 0.377 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -53.5 | -45.1 | -177.1 | -165.3 | 74.3 | 0 | 0 | 0 | 113.9 | L416 S417 R418 H422 A423 L456 A459 | L416-L420 PolarHBondContact O-N 3.05Å; S417-L420 WeakPolarHBondContact O-CB 3.19Å; R418-L420 VanDerWaalsContact C-N 3.34Å; L420-H422 PolarHBondContact O-N 3.2Å; L420-H422 VanDerWaalsContact O-N 3.17Å; L420-A423 WeakPolarHBondContact O-CB 3.34Å; L420-A423 PolarHBondContact O-N 2.95Å; L420-L456 HydrophobicContact CD1-CD1 4.4Å; L420-A459 HydrophobicContact CD1-CB 3.73Å |
| 421 | P | 83.9 | Confident | 79.3 | Confident | 101 Ų | 101 | 48.9 Ų | 48.9 | 66% | 0.656 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -62.8 | -20.7 | 176.9 | -21.6 | 35.1 | 0 | 0 | 0 | 114.1 | R418 L419 | R418-P421 VanDerWaalsContact O-CD 3.31Å; R418-P421 WeakPolarHBondContact O-CD 3.34Å; L419-P421 VanDerWaalsContact C-CD 3.5Å |
| 422 | H | 84.1 | Confident | 80.3 | Confident | 22 Ų | 22 | 49 Ų | 49 | 10% | 0.102 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -100.4 | 12.1 | -177.5 | -54.5 | -75.2 | 0 | 0 | 0 | 113.8 | L387 S390 V393 R418 L419 L420 K424 L425 L426 | L387-H422 PolarHBondContact O-CE1 3.03Å; L387-H422 PolarHBondContact O-NE2 3.33Å; S390-H422 PolarHBondContact OG-CE1 3.36Å; S390-H422 VanDerWaalsContact OG-CE1 3.31Å; V393-H422 HydrophobicContact CG1-CB 3.54Å; R418-H422 PolarHBondContact O-CD2 3.36Å; L419-H422 PolarHBondContact O-N 3.31Å; L420-H422 PolarHBondContact O-N 3.2Å; L420-H422 VanDerWaalsContact O-N 3.17Å; H422-K424 PolarHBondContact O-N 3.04Å; H422-K424 VanDerWaalsContact O-N 3.08Å; H422-L425 WeakPolarHBondContact O-CA 3.4Å; H422-L425 WeakPolarHBondContact O-CB 3.48Å; H422-L425 PolarHBondContact O-N 3.37Å; H422-L426 PolarHBondContact O-N 3.49Å; H422-L426 VanDerWaalsContact O-N 3.09Å |
| 423 | A | 83.1 | Confident | 80.9 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.033 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -50.7 | -38 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L420 L425 L426 A427 A459 V460 | L420-A423 WeakPolarHBondContact O-CB 3.34Å; L420-A423 PolarHBondContact O-N 2.95Å; A423-L425 VanDerWaalsContact C-N 3.31Å; A423-L425 PolarHBondContact O-N 3.44Å; A423-L426 PolarHBondContact O-N 2.91Å; A423-A427 WeakPolarHBondContact O-CB 3.48Å; A423-A427 PolarHBondContact O-N 2.97Å; A423-A459 HydrophobicContact CB-CB 3.59Å; A423-V460 HydrophobicContact CB-CG2 4.03Å |
| 424 | K | 84.1 | Confident | 81.5 | Confident | 153 Ų | 153 | 47.2 Ų | 47.2 | 67% | 0.665 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -61.7 | -35.1 | 176 | -173.7 | 177.2 | 179.3 | 179.4 | 0 | 113.7 | H422 H463 | H422-K424 PolarHBondContact O-N 3.04Å; H422-K424 VanDerWaalsContact O-N 3.08Å; K424-H463 VanDerWaalsContact CA-CD2 3.43Å; K424-H463 WeakPolarHBondContact CA-CD2 3.23Å; K424-H463 PolarHBondContact N-CD2 3.11Å |
| 425 | L | 83.3 | Confident | 82 | Confident | 62 Ų | 62 | 44 Ų | 44 | 33% | 0.325 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -78.9 | -37.7 | 179.8 | -175.2 | 146.1 | 0 | 0 | 0 | 110.8 | V393 T394 H422 A423 A427 K428 | V393-L425 HydrophobicContact CB-CD2 3.87Å; V393-L425 HydrophobicContact CG1-CD2 4.1Å; T394-L425 HydrophobicContact CG2-CD2 3.51Å; H422-L425 WeakPolarHBondContact O-CA 3.4Å; H422-L425 WeakPolarHBondContact O-CB 3.48Å; H422-L425 PolarHBondContact O-N 3.37Å; A423-L425 VanDerWaalsContact C-N 3.31Å; A423-L425 PolarHBondContact O-N 3.44Å; L425-A427 VanDerWaalsContact C-N 3.33Å; L425-K428 WeakPolarHBondContact O-CB 3.36Å; L425-K428 PolarHBondContact O-N 3.27Å |
| 426 | L | 82 | Confident | 82.4 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -33 | 174.5 | -62.2 | 175.3 | 0 | 0 | 0 | 112.7 | V393 A397 L419 H422 A423 K428 D429 F432 L456 V460 | V393-L426 HydrophobicContact CG1-CD2 4.14Å; A397-L426 HydrophobicContact CB-CD1 4.27Å; A397-L426 HydrophobicContact CB-CD2 3.34Å; A397-L426 HydrophobicContact CB-CG 4.45Å; L419-L426 HydrophobicContact CB-CD1 4.35Å; L419-L426 HydrophobicContact CD2-CD1 4.42Å; H422-L426 PolarHBondContact O-N 3.49Å; H422-L426 VanDerWaalsContact O-N 3.09Å; A423-L426 PolarHBondContact O-N 2.91Å; L426-K428 PolarHBondContact O-N 3.27Å; L426-K428 VanDerWaalsContact O-N 3.11Å; L426-D429 PolarHBondContact O-N 3.01Å; L426-F432 HydrophobicContact CB-CD1 3.91Å; L426-F432 HydrophobicContact CB-CE1 4.07Å; L426-F432 HydrophobicContact CD1-CD1 4.46Å; L426-F432 HydrophobicContact CD1-CE1 3.82Å; L426-F432 HydrophobicContact CD1-CZ 3.92Å; L426-F432 HydrophobicContact CD2-CE2 4.5Å; L426-F432 HydrophobicContact CG-CE1 4.36Å; L426-L456 HydrophobicContact CD1-CD1 4.4Å; L426-V460 HydrophobicContact CB-CG2 4.17Å; L426-V460 HydrophobicContact CD1-CG2 4.43Å |
| 427 | A | 80.2 | Confident | 82.7 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -3.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A423 L425 D429 V460 H463 L464 | A423-A427 WeakPolarHBondContact O-CB 3.48Å; A423-A427 PolarHBondContact O-N 2.97Å; L425-A427 VanDerWaalsContact C-N 3.33Å; A427-D429 VanDerWaalsContact C-N 3.28Å; A427-V460 HydrophobicContact CB-CG1 3.9Å; A427-V460 WeakPolarHBondContact CB-O 3.39Å; A427-H463 HydrophobicContact CB-CB 3.4Å; A427-H463 VanDerWaalsContact CB-CB 3.4Å; A427-L464 HydrophobicContact CB-CD2 4.37Å; A427-L464 HydrophobicContact CB-CG 4.4Å |
| 428 | K | 79.7 | Confident | 82.9 | Confident | 172 Ų | 172 | 43 Ų | 43 | 75% | 0.748 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -26.2 | 173.6 | -71.3 | -174.8 | 176.1 | -177.9 | 0 | 112.9 | L425 L426 | L425-K428 WeakPolarHBondContact O-CB 3.36Å; L425-K428 PolarHBondContact O-N 3.27Å; L426-K428 PolarHBondContact O-N 3.27Å; L426-K428 VanDerWaalsContact O-N 3.11Å |
| 429 | D | 78.3 | Confident | 83.1 | Confident | 69 Ų | 69 | 40.7 Ų | 40.7 | 37% | 0.369 | 21% | 0.205 | S | C | . | . | trans | -122.3 | 117.5 | -179.5 | -171.3 | -2.5 | 0 | 0 | 0 | 111 | L426 A427 L431 F432 | L426-D429 PolarHBondContact O-N 3.01Å; A427-D429 VanDerWaalsContact C-N 3.28Å; D429-L431 PolarHBondContact O-N 3.1Å; D429-L431 WeakPolarHBondContact OD1-CB 3.44Å; D429-L431 WeakPolarHBondContact OD1-CG 3.38Å; D429-L431 PolarHBondContact OD1-N 3.11Å; D429-F432 PolarHBondContact O-N 2.72Å | ||
| 430 | H | 82.1 | Confident | 83.1 | Confident | 35 Ų | 35 | 40.7 Ų | 40.7 | 16% | 0.162 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.9 | -22.1 | 178.6 | 71.4 | -83.7 | 0 | 0 | 0 | 112.5 | F432 C433 F434 L472 | H430-F432 VanDerWaalsContact C-N 3.26Å; H430-F432 PolarHBondContact O-N 3.35Å; H430-C433 WeakPolarHBondContact O-CB 3.34Å; H430-C433 PolarHBondContact O-N 3.34Å; H430-F434 PolarHBondContact O-N 3.23Å; H430-L472 HydrophobicContact CB-CB 4.42Å |
| 431 | L | 83.4 | Confident | 83 | Confident | 73 Ų | 73 | 38.3 Ų | 38.3 | 38% | 0.382 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64 | -32.3 | 178.2 | -65.8 | 173.7 | 0 | 0 | 0 | 111.9 | F398 D429 F434 S435 | F398-L431 HydrophobicContact CE2-CB 4.27Å; D429-L431 PolarHBondContact O-N 3.1Å; D429-L431 WeakPolarHBondContact OD1-CB 3.44Å; D429-L431 WeakPolarHBondContact OD1-CG 3.38Å; D429-L431 PolarHBondContact OD1-N 3.11Å; L431-F434 PolarHBondContact O-N 3.48Å; L431-S435 WeakPolarHBondContact O-CB 3.39Å; L431-S435 PolarHBondContact O-N 2.79Å; L431-S435 PolarHBondContact O-OG 3.27Å |
| 432 | F | 85.5 | Confident | 82.9 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -47.9 | 173.7 | 175.7 | -99.5 | 0 | 0 | 0 | 111.2 | A397 V401 L426 D429 H430 F434 S435 L436 L456 V460 | A397-F432 HydrophobicContact CB-CD2 4.04Å; A397-F432 HydrophobicContact CB-CE2 3.48Å; A397-F432 VanDerWaalsContact CB-CE2 3.48Å; A397-F432 HydrophobicContact CB-CZ 4.09Å; A397-F432 WeakPolarHBondContact O-CE2 3.48Å; V401-F432 HydrophobicContact CB-CE2 4.46Å; V401-F432 HydrophobicContact CG2-CE2 3.71Å; V401-F432 HydrophobicContact CG2-CZ 4.09Å; L426-F432 HydrophobicContact CB-CD1 3.91Å; L426-F432 HydrophobicContact CB-CE1 4.07Å; L426-F432 HydrophobicContact CD1-CD1 4.46Å; L426-F432 HydrophobicContact CD1-CE1 3.82Å; L426-F432 HydrophobicContact CD1-CZ 3.92Å; L426-F432 HydrophobicContact CD2-CE2 4.5Å; L426-F432 HydrophobicContact CG-CE1 4.36Å; D429-F432 PolarHBondContact O-N 2.72Å; H430-F432 VanDerWaalsContact C-N 3.26Å; H430-F432 PolarHBondContact O-N 3.35Å; F432-F434 VanDerWaalsContact C-N 3.29Å; F432-F434 PolarHBondContact O-N 2.95Å; F432-S435 PolarHBondContact O-N 3.32Å; F432-L436 HydrophobicContact CE1-CD2 4.22Å; F432-L436 WeakPolarHBondContact O-CB 3.47Å; F432-L436 PolarHBondContact O-N 3.19Å; F432-L456 HydrophobicContact CZ-CD2 4.14Å; F432-V460 HydrophobicContact CD1-CG1 4.5Å; F432-V460 HydrophobicContact CE1-CG2 4.14Å |
| 433 | C | 84.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.4 | -41.9 | 176.2 | -65.4 | 0 | 0 | 0 | 0 | 111.9 | H430 L436 I437 V460 F461 L472 | H430-C433 WeakPolarHBondContact O-CB 3.34Å; H430-C433 PolarHBondContact O-N 3.34Å; C433-L436 PolarHBondContact O-N 3.17Å; C433-I437 VanDerWaalsContact O-CG1 3.3Å; C433-I437 WeakPolarHBondContact O-CG1 3.39Å; C433-I437 PolarHBondContact O-N 2.92Å; C433-V460 WeakPolarHBondContact SG-CG1 3.48Å; C433-F461 HydrophobicContact CB-CE2 4.36Å; C433-L472 HydrophobicContact CB-CD1 3.95Å; C433-L472 HydrophobicContact CB-CD2 3.9Å |
| 434 | F | 85 | Confident | 82.5 | Confident | 20 Ų | 20 | 40 Ų | 40 | 9% | 0.088 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.9 | -49.1 | 176.8 | -178 | -109.4 | 0 | 0 | 0 | 111.7 | H430 L431 F432 L436 I437 L438 L472 L476 K481 N482 | H430-F434 PolarHBondContact O-N 3.23Å; L431-F434 PolarHBondContact O-N 3.48Å; F432-F434 VanDerWaalsContact C-N 3.29Å; F432-F434 PolarHBondContact O-N 2.95Å; F434-L436 VanDerWaalsContact C-N 3.29Å; F434-L436 PolarHBondContact O-N 3.36Å; F434-I437 PolarHBondContact O-N 3.47Å; F434-L438 HydrophobicContact CD1-CD1 3.98Å; F434-L438 HydrophobicContact CE1-CD1 3.54Å; F434-L438 HydrophobicContact CE1-CG 4.26Å; F434-L438 HydrophobicContact CZ-CD1 3.95Å; F434-L438 HydrophobicContact CZ-CD2 4.36Å; F434-L438 HydrophobicContact CZ-CG 4.28Å; F434-L438 WeakPolarHBondContact O-CG 3.29Å; F434-L438 PolarHBondContact O-N 2.98Å; F434-L472 HydrophobicContact CB-CD1 3.83Å; F434-L472 HydrophobicContact CD2-CD1 4.48Å; F434-L476 HydrophobicContact CD2-CD2 4.02Å; F434-L476 HydrophobicContact CD2-CG 4.28Å; F434-L476 HydrophobicContact CE2-CD2 4.1Å; F434-K481 HydrophobicContact CE1-CB 4.41Å; F434-K481 HydrophobicContact CZ-CB 4Å; F434-K481 WeakPolarHBondContact CZ-O 3.39Å; F434-N482 HydrophobicContact CE2-CB 4.16Å; F434-N482 HydrophobicContact CZ-CB 4.2Å |
| 435 | S | 82.7 | Confident | 82.3 | Confident | 15 Ų | 15 | 39 Ų | 39 | 11% | 0.105 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.2 | -39.3 | 174.9 | -67.3 | 0 | 0 | 0 | 0 | 112.1 | F398 V401 L431 F432 L438 H439 | F398-S435 VanDerWaalsContact CE2-OG 3.29Å; F398-S435 WeakPolarHBondContact CE2-OG 3.46Å; F398-S435 WeakPolarHBondContact CZ-OG 3.44Å; V401-S435 WeakPolarHBondContact CG1-O 3.43Å; L431-S435 WeakPolarHBondContact O-CB 3.39Å; L431-S435 PolarHBondContact O-N 2.79Å; L431-S435 PolarHBondContact O-OG 3.27Å; F432-S435 PolarHBondContact O-N 3.32Å; S435-L438 PolarHBondContact O-N 2.9Å; S435-H439 WeakPolarHBondContact O-CB 3.5Å; S435-H439 PolarHBondContact O-N 2.78Å |
| 436 | L | 85.3 | Confident | 82 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 177.9 | -176.3 | 63.5 | 0 | 0 | 0 | 111.8 | V401 F432 C433 F434 H439 L440 L456 L457 | V401-L436 VanDerWaalsContact CG1-CA 3.45Å; V401-L436 HydrophobicContact CG1-CB 4.22Å; V401-L436 HydrophobicContact CG1-CD1 4.39Å; V401-L436 HydrophobicContact CG2-CD1 3.95Å; F432-L436 HydrophobicContact CE1-CD2 4.22Å; F432-L436 WeakPolarHBondContact O-CB 3.47Å; F432-L436 PolarHBondContact O-N 3.19Å; C433-L436 PolarHBondContact O-N 3.17Å; F434-L436 VanDerWaalsContact C-N 3.29Å; F434-L436 PolarHBondContact O-N 3.36Å; L436-H439 PolarHBondContact O-N 3.3Å; L436-L440 HydrophobicContact CG-CD1 4.49Å; L436-L440 WeakPolarHBondContact O-CB 3.31Å; L436-L440 WeakPolarHBondContact O-CG 3.4Å; L436-L440 PolarHBondContact O-N 2.86Å; L436-L456 HydrophobicContact CD2-CD2 4.25Å; L436-L456 HydrophobicContact CD2-CG 4.28Å; L436-L457 HydrophobicContact CD2-CB 4.07Å; L436-L457 HydrophobicContact CD2-CD1 3.9Å; L436-L457 HydrophobicContact CG-CD1 4.44Å |
| 437 | I | 84.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.4 | -40.7 | 174.9 | -67.3 | 166.6 | 0 | 0 | 0 | 111.2 | C433 F434 H439 L440 D441 L457 L472 L476 P488 | C433-I437 VanDerWaalsContact O-CG1 3.3Å; C433-I437 WeakPolarHBondContact O-CG1 3.39Å; C433-I437 PolarHBondContact O-N 2.92Å; F434-I437 PolarHBondContact O-N 3.47Å; I437-H439 VanDerWaalsContact C-N 3.34Å; I437-L440 WeakPolarHBondContact O-CB 3.36Å; I437-L440 PolarHBondContact O-N 3.09Å; I437-D441 PolarHBondContact O-N 3.23Å; I437-D441 VanDerWaalsContact O-N 3.09Å; I437-L457 HydrophobicContact CG1-CD1 4.07Å; I437-L472 HydrophobicContact CD1-CD1 4.36Å; I437-L476 HydrophobicContact CB-CD2 4.41Å; I437-L476 HydrophobicContact CD1-CD1 3.9Å; I437-L476 HydrophobicContact CD1-CD2 4.05Å; I437-L476 HydrophobicContact CD1-CG 4.49Å; I437-L476 HydrophobicContact CG2-CD2 3.82Å; I437-P488 HydrophobicContact CD1-CB 4.21Å; I437-P488 HydrophobicContact CG1-CB 4.24Å |
| 438 | L | 84.1 | Confident | 81.7 | Confident | 37 Ų | 37 | 44.6 Ų | 44.6 | 19% | 0.194 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63 | -40.8 | 174 | -68.9 | 175.7 | 0 | 0 | 0 | 111.8 | F434 S435 D441 R442 | F434-L438 HydrophobicContact CD1-CD1 3.98Å; F434-L438 HydrophobicContact CE1-CD1 3.54Å; F434-L438 HydrophobicContact CE1-CG 4.26Å; F434-L438 HydrophobicContact CZ-CD1 3.95Å; F434-L438 HydrophobicContact CZ-CD2 4.36Å; F434-L438 HydrophobicContact CZ-CG 4.28Å; F434-L438 WeakPolarHBondContact O-CG 3.29Å; F434-L438 PolarHBondContact O-N 2.98Å; S435-L438 PolarHBondContact O-N 2.9Å; L438-D441 PolarHBondContact O-N 2.96Å; L438-R442 WeakPolarHBondContact O-CG 3.33Å; L438-R442 PolarHBondContact O-N 3.25Å |
| 439 | H | 82.3 | Confident | 81.6 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.9 | -45.7 | 176.5 | -170.3 | 93.2 | 0 | 0 | 0 | 111.5 | V401 S435 L436 I437 D441 R442 V443 H453 | V401-H439 HydrophobicContact CG1-CB 3.68Å; V401-H439 PolarHBondContact O-ND1 2.84Å; S435-H439 WeakPolarHBondContact O-CB 3.5Å; S435-H439 PolarHBondContact O-N 2.78Å; L436-H439 PolarHBondContact O-N 3.3Å; I437-H439 VanDerWaalsContact C-N 3.34Å; H439-D441 VanDerWaalsContact C-N 3.26Å; H439-D441 PolarHBondContact O-N 3.08Å; H439-R442 WeakPolarHBondContact O-CA 3.35Å; H439-R442 WeakPolarHBondContact O-CB 3.47Å; H439-R442 PolarHBondContact O-N 3.4Å; H439-V443 WeakPolarHBondContact O-CG2 3.45Å; H439-V443 PolarHBondContact O-N 3.36Å; H439-H453 AromaticContact CD2-CD2 3.79Å; H439-H453 AromaticContact CD2-NE2 3.49Å; H439-H453 PolarHBondContact CD2-NE2 3.31Å; H439-H453 AromaticContact NE2-NE2 3.63Å |
| 440 | L | 84 | Confident | 81.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -52.8 | -41.7 | 173.9 | -90.9 | 169.1 | 0 | 0 | 0 | 112.8 | L436 I437 R442 V443 R444 D450 H453 I454 L457 | L436-L440 HydrophobicContact CG-CD1 4.49Å; L436-L440 WeakPolarHBondContact O-CB 3.31Å; L436-L440 WeakPolarHBondContact O-CG 3.4Å; L436-L440 PolarHBondContact O-N 2.86Å; I437-L440 WeakPolarHBondContact O-CB 3.36Å; I437-L440 PolarHBondContact O-N 3.09Å; L440-R442 VanDerWaalsContact C-N 3.34Å; L440-V443 PolarHBondContact O-N 3.09Å; L440-R444 WeakPolarHBondContact O-CG 3.39Å; L440-R444 PolarHBondContact O-N 2.99Å; L440-D450 HydrophobicContact CD2-CB 3.91Å; L440-H453 HydrophobicContact CD1-CB 4.33Å; L440-H453 HydrophobicContact CD2-CB 3.2Å; L440-H453 HydrophobicContact CG-CB 3.78Å; L440-I454 HydrophobicContact CD2-CG1 4.46Å; L440-L457 HydrophobicContact CD1-CD2 4.09Å |
| 441 | D | 81.5 | Confident | 81.6 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 12% | 0.118 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.3 | -36.8 | 176 | -175.9 | 50.1 | 0 | 0 | 0 | 112.3 | I437 L438 H439 K445 S486 | I437-D441 PolarHBondContact O-N 3.23Å; I437-D441 VanDerWaalsContact O-N 3.09Å; L438-D441 PolarHBondContact O-N 2.96Å; H439-D441 VanDerWaalsContact C-N 3.26Å; H439-D441 PolarHBondContact O-N 3.08Å; D441-K445 WeakPolarHBondContact O-CB 3.3Å; D441-K445 VanDerWaalsContact O-CG 3.29Å; D441-K445 WeakPolarHBondContact O-CG 3.46Å; D441-K445 PolarHBondContact O-N 2.96Å; D441-K445 IonicContact OD1-NZ 3.36Å; D441-K445 WeakPolarHBondContact OD2-CE 3.33Å; D441-K445 IonicContact OD2-NZ 2.69Å; D441-K445 PolarHBondContact OD2-NZ 3.41Å; D441-S486 WeakPolarHBondContact CB-OG 3.38Å; D441-S486 VanDerWaalsContact CG-OG 3.31Å; D441-S486 PolarHBondContact OD2-OG 3.43Å |
| 442 | R | 80.1 | Confident | 81.4 | Confident | 124 Ų | 124 | 40.9 Ų | 40.9 | 47% | 0.468 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.6 | -43 | 173.1 | -63 | 174.2 | -176 | 174.5 | 1.5 | 111.9 | V406 L438 H439 L440 R444 K445 A446 | V406-R442 HydrophobicContact CG2-CB 4.02Å; L438-R442 WeakPolarHBondContact O-CG 3.33Å; L438-R442 PolarHBondContact O-N 3.25Å; H439-R442 WeakPolarHBondContact O-CA 3.35Å; H439-R442 WeakPolarHBondContact O-CB 3.47Å; H439-R442 PolarHBondContact O-N 3.4Å; L440-R442 VanDerWaalsContact C-N 3.34Å; R442-R444 VanDerWaalsContact C-N 3.34Å; R442-R444 PolarHBondContact O-N 3.35Å; R442-K445 PolarHBondContact O-N 3.11Å; R442-A446 WeakPolarHBondContact O-CB 3.42Å; R442-A446 PolarHBondContact O-N 3.34Å |
| 443 | V | 81.8 | Confident | 81.4 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.9 | -45.1 | 176 | 173 | 0 | 0 | 0 | 0 | 110.6 | V406 H439 L440 A446 A447 L448 D450 | V406-V443 HydrophobicContact CG1-CG2 4Å; H439-V443 WeakPolarHBondContact O-CG2 3.45Å; H439-V443 PolarHBondContact O-N 3.36Å; L440-V443 PolarHBondContact O-N 3.09Å; V443-A446 CarbonylContact O-C 3.47Å; V443-A446 PolarHBondContact O-N 2.84Å; V443-A447 PolarHBondContact O-N 2.84Å; V443-L448 HydrophobicContact CG1-CB 3.78Å; V443-L448 PolarHBondContact O-N 3.4Å; V443-L448 VanDerWaalsContact O-N 3.08Å; V443-D450 HydrophobicContact CG1-CB 4.29Å |
| 444 | R | 78.7 | Confident | 81.3 | Confident | 36 Ų | 36 | 42 Ų | 42 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.5 | -42.9 | 176.8 | -72.1 | 172.8 | -173.6 | 150.6 | 11 | 112.9 | L440 R442 A446 A447 D450 T487 P488 L489 | L440-R444 WeakPolarHBondContact O-CG 3.39Å; L440-R444 PolarHBondContact O-N 2.99Å; R442-R444 VanDerWaalsContact C-N 3.34Å; R442-R444 PolarHBondContact O-N 3.35Å; R444-A446 PolarHBondContact O-N 2.77Å; R444-A447 PolarHBondContact O-N 2.93Å; R444-D450 IonicContact CZ-OD2 3.66Å; R444-D450 IonicContact NE-OD2 3.18Å; R444-D450 PolarHBondContact NE-OD2 3.17Å; R444-D450 IonicContact NH2-OD2 3.04Å; R444-T487 PolarHBondContact NH1-O 3.34Å; R444-P488 PolarHBondContact NH2-O 2.75Å; R444-L489 VanDerWaalsContact NH1-C 3.31Å; R444-L489 PolarHBondContact NH1-O 3.09Å |
| 445 | K | 78.7 | Confident | 81.3 | Confident | 132 Ų | 132 | 46.2 Ų | 46.2 | 57% | 0.574 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.1 | -29 | 174.5 | -77.7 | 169.4 | 177 | 163.3 | 0 | 112.2 | D441 R442 A447 | D441-K445 WeakPolarHBondContact O-CB 3.3Å; D441-K445 VanDerWaalsContact O-CG 3.29Å; D441-K445 WeakPolarHBondContact O-CG 3.46Å; D441-K445 PolarHBondContact O-N 2.96Å; D441-K445 IonicContact OD1-NZ 3.36Å; D441-K445 WeakPolarHBondContact OD2-CE 3.33Å; D441-K445 IonicContact OD2-NZ 2.69Å; D441-K445 PolarHBondContact OD2-NZ 3.41Å; R442-K445 PolarHBondContact O-N 3.11Å; K445-A447 VanDerWaalsContact C-N 3.33Å |
| 446 | A | 78.1 | Confident | 81.4 | Confident | 51 Ų | 51 | 45.5 Ų | 45.5 | 42% | 0.421 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 1.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V406 R442 V443 R444 L448 | V406-A446 HydrophobicContact CG1-CB 4.06Å; R442-A446 WeakPolarHBondContact O-CB 3.42Å; R442-A446 PolarHBondContact O-N 3.34Å; V443-A446 CarbonylContact O-C 3.47Å; V443-A446 PolarHBondContact O-N 2.84Å; R444-A446 PolarHBondContact O-N 2.77Å; A446-L448 VanDerWaalsContact C-N 3.31Å; A446-L448 HydrophobicContact CB-CD1 4.04Å; A446-L448 HydrophobicContact CB-CG 3.95Å; A446-L448 PolarHBondContact O-N 3.28Å |
| 447 | A | 77.5 | Confident | 81.4 | Confident | 94 Ų | 94 | 45.6 Ų | 45.6 | 78% | 0.777 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 36.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | V443 R444 K445 | V443-A447 PolarHBondContact O-N 2.84Å; R444-A447 PolarHBondContact O-N 2.93Å; K445-A447 VanDerWaalsContact C-N 3.33Å |
| 448 | L | 77.6 | Confident | 81.5 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 23% | 0.225 | 26% | 0.26 | C | S | . | . | trans | -98.8 | 158.5 | -179.6 | -64.1 | -177.1 | 0 | 0 | 0 | 112.5 | V406 I409 V443 A446 D450 | V406-L448 HydrophobicContact CG1-CD1 3.65Å; V406-L448 WeakPolarHBondContact O-CD1 3.15Å; I409-L448 HydrophobicContact CD1-CD1 4.22Å; I409-L448 HydrophobicContact CD1-CD2 3.49Å; I409-L448 VanDerWaalsContact CD1-CD2 3.49Å; I409-L448 HydrophobicContact CD1-CG 4.39Å; I409-L448 HydrophobicContact CG1-CD1 3.97Å; I409-L448 HydrophobicContact CG1-CD2 4.16Å; V443-L448 HydrophobicContact CG1-CB 3.78Å; V443-L448 PolarHBondContact O-N 3.4Å; V443-L448 VanDerWaalsContact O-N 3.08Å; A446-L448 VanDerWaalsContact C-N 3.31Å; A446-L448 HydrophobicContact CB-CD1 4.04Å; A446-L448 HydrophobicContact CB-CG 3.95Å; A446-L448 PolarHBondContact O-N 3.28Å; L448-D450 PolarHBondContact O-N 3.02Å | ||
| 449 | P | 77.3 | Confident | 81.5 | Confident | 72 Ų | 72 | 49.7 Ų | 49.7 | 47% | 0.468 | 26% | 0.259 | S | S | . | . | trans | -65.3 | 126.6 | 179.8 | 25.2 | -33.7 | 0 | 0 | 0 | 112.5 | I409 | I409-P449 HydrophobicContact CG2-CG 4.35Š| ||
| 450 | D | 78.7 | Confident | 81.6 | Confident | 37 Ų | 37 | 49.5 Ų | 49.5 | 20% | 0.198 | 26% | 0.258 | C | S | . | . | trans | -106.7 | 4.8 | -176.1 | 67.2 | -14.3 | 0 | 0 | 0 | 114.4 | L440 V443 R444 L448 E452 H453 I454 | L440-D450 HydrophobicContact CD2-CB 3.91Å; V443-D450 HydrophobicContact CG1-CB 4.29Å; R444-D450 IonicContact CZ-OD2 3.66Å; R444-D450 IonicContact NE-OD2 3.18Å; R444-D450 PolarHBondContact NE-OD2 3.17Å; R444-D450 IonicContact NH2-OD2 3.04Å; L448-D450 PolarHBondContact O-N 3.02Å; D450-E452 PolarHBondContact O-N 3.21Å; D450-H453 WeakPolarHBondContact O-CB 3.33Å; D450-H453 PolarHBondContact O-N 3.13Å; D450-I454 HydrophobicContact CB-CD1 4.5Å; D450-I454 WeakPolarHBondContact O-CG1 3.33Å; D450-I454 PolarHBondContact O-N 3Å | ||
| 451 | N | 81.3 | Confident | 81.6 | Confident | 110 Ų | 110 | 49.5 Ų | 49.5 | 59% | 0.588 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -57.5 | -48.4 | -174.5 | -73.2 | -23.9 | 0 | 0 | 0 | 114.1 | H453 I454 K455 | N451-H453 VanDerWaalsContact C-N 3.35Å; N451-I454 PolarHBondContact O-N 3.09Å; N451-K455 WeakPolarHBondContact O-CG 3.46Å; N451-K455 PolarHBondContact O-N 3.31Å |
| 452 | E | 79.2 | Confident | 81.7 | Confident | 51 Ų | 51 | 52.6 Ų | 52.6 | 24% | 0.238 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.3 | -34.2 | -178.4 | -66.8 | -54.4 | 134.4 | 0 | 0 | 112.2 | L416 D450 K455 L456 | L416-E452 HydrophobicContact CB-CB 4.46Å; L416-E452 HydrophobicContact CD1-CB 4.22Å; D450-E452 PolarHBondContact O-N 3.21Å; E452-K455 PolarHBondContact O-N 3.38Å; E452-K455 IonicContact OE1-NZ 2.82Å; E452-K455 PolarHBondContact OE1-NZ 3.3Å; E452-K455 IonicContact OE2-NZ 3.81Å; E452-L456 PolarHBondContact O-N 3.38Å |
| 453 | H | 85.3 | Confident | 81.9 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.028 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 174.3 | -60.5 | 85.5 | 0 | 0 | 0 | 111.6 | H439 L440 D450 N451 L456 L457 | H439-H453 AromaticContact CD2-CD2 3.79Å; H439-H453 AromaticContact CD2-NE2 3.49Å; H439-H453 PolarHBondContact CD2-NE2 3.31Å; H439-H453 AromaticContact NE2-NE2 3.63Å; L440-H453 HydrophobicContact CD1-CB 4.33Å; L440-H453 HydrophobicContact CD2-CB 3.2Å; L440-H453 HydrophobicContact CG-CB 3.78Å; D450-H453 WeakPolarHBondContact O-CB 3.33Å; D450-H453 PolarHBondContact O-N 3.13Å; N451-H453 VanDerWaalsContact C-N 3.35Å; H453-L456 PolarHBondContact O-N 3.19Å; H453-L457 WeakPolarHBondContact O-CB 3.46Å; H453-L457 PolarHBondContact O-N 2.75Å |
| 454 | I | 83.4 | Confident | 82 | Confident | 25 Ų | 25 | 51 Ų | 51 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67 | -38.5 | 176.3 | -66.7 | 170.1 | 0 | 0 | 0 | 110.9 | L440 D450 N451 L457 R458 | L440-I454 HydrophobicContact CD2-CG1 4.46Å; D450-I454 HydrophobicContact CB-CD1 4.5Å; D450-I454 WeakPolarHBondContact O-CG1 3.33Å; D450-I454 PolarHBondContact O-N 3Å; N451-I454 PolarHBondContact O-N 3.09Å; I454-L457 PolarHBondContact O-N 2.94Å; I454-R458 WeakPolarHBondContact O-CG 3.46Å; I454-R458 PolarHBondContact O-N 3.37Å |
| 455 | K | 85.1 | Confident | 82.3 | Confident | 108 Ų | 108 | 52.1 Ų | 52.1 | 47% | 0.47 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 174.3 | -74.3 | 176.4 | -175.5 | 170.9 | 0 | 111.6 | N451 E452 R458 A459 | N451-K455 WeakPolarHBondContact O-CG 3.46Å; N451-K455 PolarHBondContact O-N 3.31Å; E452-K455 PolarHBondContact O-N 3.38Å; E452-K455 IonicContact OE1-NZ 2.82Å; E452-K455 PolarHBondContact OE1-NZ 3.3Å; E452-K455 IonicContact OE2-NZ 3.81Å; K455-R458 PolarHBondContact O-N 3.5Å; K455-A459 PolarHBondContact O-N 2.91Å |
| 456 | L | 84.9 | Confident | 82.4 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -45 | 176.2 | -176.5 | 63.8 | 0 | 0 | 0 | 111.2 | L416 L419 L420 L426 F432 L436 E452 H453 R458 A459 V460 | L416-L456 HydrophobicContact CD2-CD2 3.51Å; L419-L456 HydrophobicContact CB-CD1 4.04Å; L419-L456 HydrophobicContact CB-CD2 4.17Å; L419-L456 HydrophobicContact CD1-CD2 4.35Å; L420-L456 HydrophobicContact CD1-CD1 4.4Å; L426-L456 HydrophobicContact CD1-CD1 4.4Å; F432-L456 HydrophobicContact CZ-CD2 4.14Å; L436-L456 HydrophobicContact CD2-CD2 4.25Å; L436-L456 HydrophobicContact CD2-CG 4.28Å; E452-L456 PolarHBondContact O-N 3.38Å; H453-L456 PolarHBondContact O-N 3.19Å; L456-R458 VanDerWaalsContact C-N 3.32Å; L456-R458 PolarHBondContact O-N 3.04Å; L456-A459 PolarHBondContact O-N 2.97Å; L456-V460 HydrophobicContact CD1-CG2 4.23Å; L456-V460 HydrophobicContact CG-CG2 4.36Å; L456-V460 VanDerWaalsContact O-CG2 3.3Å; L456-V460 WeakPolarHBondContact O-CG2 3.36Å; L456-V460 PolarHBondContact O-N 3.33Å |
| 457 | L | 85.6 | Confident | 82.5 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.7 | -46.1 | 177.5 | -172.4 | 72.4 | 0 | 0 | 0 | 111.4 | L436 I437 L440 H453 I454 V460 F461 P488 L539 | L436-L457 HydrophobicContact CD2-CB 4.07Å; L436-L457 HydrophobicContact CD2-CD1 3.9Å; L436-L457 HydrophobicContact CG-CD1 4.44Å; I437-L457 HydrophobicContact CG1-CD1 4.07Å; L440-L457 HydrophobicContact CD1-CD2 4.09Å; H453-L457 WeakPolarHBondContact O-CB 3.46Å; H453-L457 PolarHBondContact O-N 2.75Å; I454-L457 PolarHBondContact O-N 2.94Å; L457-V460 PolarHBondContact O-N 3.22Å; L457-F461 HydrophobicContact CD1-CD2 3.84Å; L457-F461 HydrophobicContact CD1-CE2 3.39Å; L457-F461 HydrophobicContact CD1-CZ 4.29Å; L457-F461 HydrophobicContact CG-CD2 3.96Å; L457-F461 HydrophobicContact CG-CE2 3.84Å; L457-F461 WeakPolarHBondContact O-CB 3.48Å; L457-F461 WeakPolarHBondContact O-CD2 3.5Å; L457-F461 PolarHBondContact O-N 3Å; L457-P488 HydrophobicContact CD2-CB 3.77Å; L457-L539 HydrophobicContact CD2-CD2 3.85Å; L457-L539 HydrophobicContact CG-CD2 4.44Å |
| 458 | R | 85.5 | Confident | 82.7 | Confident | 103 Ų | 103 | 48.6 Ų | 48.6 | 39% | 0.389 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 176.3 | -78.7 | 178.7 | 168.3 | -160.6 | -4.8 | 112.3 | I454 K455 L456 V460 F461 E462 D536 L539 | I454-R458 WeakPolarHBondContact O-CG 3.46Å; I454-R458 PolarHBondContact O-N 3.37Å; K455-R458 PolarHBondContact O-N 3.5Å; L456-R458 VanDerWaalsContact C-N 3.32Å; L456-R458 PolarHBondContact O-N 3.04Å; R458-V460 VanDerWaalsContact C-N 3.33Å; R458-V460 PolarHBondContact O-N 3.46Å; R458-F461 PolarHBondContact O-N 3.03Å; R458-E462 PolarHBondContact O-N 3.02Å; R458-E462 VanDerWaalsContact O-N 3.15Å; R458-D536 IonicContact CZ-OD1 3.73Å; R458-D536 IonicContact NH2-OD1 3.1Å; R458-D536 PolarHBondContact NH2-OD1 3.41Å; R458-L539 HydrophobicContact CG-CD1 3.97Å |
| 459 | A | 84.6 | Confident | 83 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 17% | 0.165 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.1 | -37.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L420 A423 K455 L456 H463 | L420-A459 HydrophobicContact CD1-CB 3.73Å; A423-A459 HydrophobicContact CB-CB 3.59Å; K455-A459 PolarHBondContact O-N 2.91Å; L456-A459 PolarHBondContact O-N 2.97Å; A459-H463 PolarHBondContact O-CD2 3.07Å; A459-H463 VanDerWaalsContact O-CD2 3.32Å |
| 460 | V | 85.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.7 | -40.5 | 177.9 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | A423 L426 A427 F432 C433 L456 L457 R458 E462 H463 L464 | A423-V460 HydrophobicContact CB-CG2 4.03Å; L426-V460 HydrophobicContact CB-CG2 4.17Å; L426-V460 HydrophobicContact CD1-CG2 4.43Å; A427-V460 HydrophobicContact CB-CG1 3.9Å; A427-V460 WeakPolarHBondContact CB-O 3.39Å; F432-V460 HydrophobicContact CD1-CG1 4.5Å; F432-V460 HydrophobicContact CE1-CG2 4.14Å; C433-V460 WeakPolarHBondContact SG-CG1 3.48Å; L456-V460 HydrophobicContact CD1-CG2 4.23Å; L456-V460 HydrophobicContact CG-CG2 4.36Å; L456-V460 VanDerWaalsContact O-CG2 3.3Å; L456-V460 WeakPolarHBondContact O-CG2 3.36Å; L456-V460 PolarHBondContact O-N 3.33Å; L457-V460 PolarHBondContact O-N 3.22Å; R458-V460 VanDerWaalsContact C-N 3.33Å; R458-V460 PolarHBondContact O-N 3.46Å; V460-E462 PolarHBondContact O-N 3.49Å; V460-H463 PolarHBondContact O-N 3.39Å; V460-L464 PolarHBondContact O-N 3.44Å |
| 461 | F | 84.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.7 | -33 | 177.5 | -91.8 | -125.5 | 0 | 0 | 0 | 113.1 | C433 L457 R458 H463 L464 L472 L535 L539 F542 | C433-F461 HydrophobicContact CB-CE2 4.36Å; L457-F461 HydrophobicContact CD1-CD2 3.84Å; L457-F461 HydrophobicContact CD1-CE2 3.39Å; L457-F461 HydrophobicContact CD1-CZ 4.29Å; L457-F461 HydrophobicContact CG-CD2 3.96Å; L457-F461 HydrophobicContact CG-CE2 3.84Å; L457-F461 WeakPolarHBondContact O-CB 3.48Å; L457-F461 WeakPolarHBondContact O-CD2 3.5Å; L457-F461 PolarHBondContact O-N 3Å; R458-F461 PolarHBondContact O-N 3.03Å; F461-H463 PolarHBondContact O-N 3.29Å; F461-L464 HydrophobicContact CD2-CD1 3.8Å; F461-L464 HydrophobicContact CE2-CD1 4.06Å; F461-L464 HydrophobicContact CG-CD1 4.08Å; F461-L464 PolarHBondContact O-N 2.97Å; F461-L472 HydrophobicContact CE1-CD2 4.43Å; F461-L472 HydrophobicContact CE2-CD2 3.89Å; F461-L472 HydrophobicContact CZ-CD2 3.56Å; F461-L535 HydrophobicContact CB-CD2 3.87Å; F461-L539 HydrophobicContact CD1-CD2 4.43Å; F461-L539 HydrophobicContact CE1-CD2 4.34Å; F461-F542 HydrophobicContact CD1-CD2 4.44Å; F461-F542 HydrophobicContact CD1-CE2 4.35Å; F461-F542 AromaticContact CE1-CD2 3.5Å; F461-F542 HydrophobicContact CE1-CD2 3.5Å; F461-F542 AromaticContact CE1-CE2 3.64Å; F461-F542 HydrophobicContact CE1-CE2 3.64Å; F461-F542 HydrophobicContact CE1-CG 4.11Å; F461-F542 HydrophobicContact CE1-CZ 4.3Å; F461-F542 HydrophobicContact CZ-CD2 4.26Å; F461-F542 HydrophobicContact CZ-CE2 4.45Å; F461-F542 HydrophobicContact CZ-CG 4.46Å |
| 462 | E | 83.6 | Confident | 83.4 | Confident | 87 Ų | 87 | 41.6 Ų | 41.6 | 41% | 0.407 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.4 | 174.7 | -168.6 | 179.9 | 173.2 | 0 | 0 | 112.6 | R458 V460 K531 L535 | R458-E462 PolarHBondContact O-N 3.02Å; R458-E462 VanDerWaalsContact O-N 3.15Å; V460-E462 PolarHBondContact O-N 3.49Å; E462-K531 IonicContact OE1-NZ 3.46Å; E462-K531 PolarHBondContact OE1-NZ 2.84Å; E462-L535 HydrophobicContact CB-CD1 4.43Å; E462-L535 HydrophobicContact CB-CD2 4.5Å |
| 463 | H | 84.5 | Confident | 83.5 | Confident | 82 Ų | 82 | 39.2 Ų | 39.2 | 38% | 0.38 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -2.4 | -174.7 | -64.5 | -51.7 | 0 | 0 | 0 | 114.8 | K424 A427 A459 V460 F461 | K424-H463 VanDerWaalsContact CA-CD2 3.43Å; K424-H463 WeakPolarHBondContact CA-CD2 3.23Å; K424-H463 PolarHBondContact N-CD2 3.11Å; A427-H463 HydrophobicContact CB-CB 3.4Å; A427-H463 VanDerWaalsContact CB-CB 3.4Å; A459-H463 PolarHBondContact O-CD2 3.07Å; A459-H463 VanDerWaalsContact O-CD2 3.32Å; V460-H463 PolarHBondContact O-N 3.39Å; F461-H463 PolarHBondContact O-N 3.29Å |
| 464 | L | 84.2 | Confident | 83.3 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | trans | -69.6 | 133.2 | 178.9 | -77.3 | 168.2 | 0 | 0 | 0 | 111.3 | A427 V460 F461 K469 L472 | A427-L464 HydrophobicContact CB-CD2 4.37Å; A427-L464 HydrophobicContact CB-CG 4.4Å; V460-L464 PolarHBondContact O-N 3.44Å; F461-L464 HydrophobicContact CD2-CD1 3.8Å; F461-L464 HydrophobicContact CE2-CD1 4.06Å; F461-L464 HydrophobicContact CG-CD1 4.08Å; F461-L464 PolarHBondContact O-N 2.97Å; L464-K469 HydrophobicContact CB-CD 4.48Å; L464-K469 HydrophobicContact CB-CG 3.88Å; L464-K469 HydrophobicContact CD1-CG 4.43Å; L464-K469 WeakPolarHBondContact O-CE 3.43Å; L464-L472 HydrophobicContact CD1-CD2 4.26Å | ||
| 465 | S | 83.5 | Confident | 83.1 | Confident | 60 Ų | 60 | 40.1 Ų | 40.1 | 42% | 0.42 | 21% | 0.213 | S | C | . | . | trans | -67.2 | 156.3 | 170.3 | 82.9 | 0 | 0 | 0 | 0 | 111.2 | S467 S468 K469 | S465-S467 VanDerWaalsContact C-N 3.27Å; S465-S467 PolarHBondContact O-N 3.01Å; S465-S468 WeakPolarHBondContact O-CB 3.44Å; S465-S468 PolarHBondContact O-N 3.3Å; S465-S468 VanDerWaalsContact O-N 3.11Å; S465-S468 WeakPolarHBondContact OG-CB 3.42Å; S465-S468 PolarHBondContact OG-N 3.29Å; S465-S468 VanDerWaalsContact OG-N 3.14Å; S465-S468 PolarHBondContact OG-OG 3.06Å; S465-K469 WeakPolarHBondContact O-CG 3.47Å; S465-K469 PolarHBondContact O-N 3.31Å | ||
| 466 | I | 81 | Confident | 82.8 | Confident | 111 Ų | 111 | 35.6 Ų | 35.6 | 57% | 0.569 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -58 | -41 | 177.4 | -63.3 | 173 | 0 | 0 | 0 | 110.9 | S468 K469 C470 Y577 | I466-S468 PolarHBondContact O-N 2.88Å; I466-K469 WeakPolarHBondContact O-CB 3.28Å; I466-K469 PolarHBondContact O-N 2.96Å; I466-C470 PolarHBondContact O-N 3.45Å; I466-C470 PolarHBondContact O-SG 2.98Å; I466-C470 VanDerWaalsContact O-SG 3.38Å; I466-Y577 VanDerWaalsContact CG2-CB 3.43Å; I466-Y577 HydrophobicContact CG2-CD1 4.32Å; I466-Y577 HydrophobicContact CG2-CD2 4.33Å; I466-Y577 HydrophobicContact CG2-CG 3.8Å |
| 467 | S | 79.6 | Confident | 82.3 | Confident | 77 Ų | 77 | 37.4 Ų | 37.4 | 54% | 0.538 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.6 | -47.4 | 175.1 | -170.2 | 0 | 0 | 0 | 0 | 111.5 | S465 K469 C470 D471 | S465-S467 VanDerWaalsContact C-N 3.27Å; S465-S467 PolarHBondContact O-N 3.01Å; S467-K469 VanDerWaalsContact C-N 3.28Å; S467-K469 PolarHBondContact O-N 3.43Å; S467-C470 WeakPolarHBondContact O-CB 3.42Å; S467-C470 PolarHBondContact O-N 2.87Å; S467-C470 VanDerWaalsContact O-N 3.16Å; S467-D471 PolarHBondContact O-N 3.09Å |
| 468 | S | 81.8 | Confident | 81.5 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -33.7 | 178.7 | -52.1 | 0 | 0 | 0 | 0 | 112.4 | S465 I466 L472 | S465-S468 WeakPolarHBondContact O-CB 3.44Å; S465-S468 PolarHBondContact O-N 3.3Å; S465-S468 VanDerWaalsContact O-N 3.11Å; S465-S468 WeakPolarHBondContact OG-CB 3.42Å; S465-S468 PolarHBondContact OG-N 3.29Å; S465-S468 VanDerWaalsContact OG-N 3.14Å; S465-S468 PolarHBondContact OG-OG 3.06Å; I466-S468 PolarHBondContact O-N 2.88Å; S468-L472 VanDerWaalsContact O-CB 3.27Å; S468-L472 WeakPolarHBondContact O-CB 3.27Å; S468-L472 PolarHBondContact O-N 3.35Å |
| 469 | K | 85.1 | Confident | 80.2 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 8% | 0.083 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.2 | -42.1 | 173.7 | -72.4 | 179.9 | -178 | -174.6 | 0 | 111.5 | L464 S465 I466 S467 L472 L473 E538 F542 Y577 | L464-K469 HydrophobicContact CB-CD 4.48Å; L464-K469 HydrophobicContact CB-CG 3.88Å; L464-K469 HydrophobicContact CD1-CG 4.43Å; L464-K469 WeakPolarHBondContact O-CE 3.43Å; S465-K469 WeakPolarHBondContact O-CG 3.47Å; S465-K469 PolarHBondContact O-N 3.31Å; I466-K469 WeakPolarHBondContact O-CB 3.28Å; I466-K469 PolarHBondContact O-N 2.96Å; S467-K469 VanDerWaalsContact C-N 3.28Å; S467-K469 PolarHBondContact O-N 3.43Å; K469-L472 PolarHBondContact O-N 2.78Å; K469-L473 WeakPolarHBondContact O-CB 3.3Å; K469-L473 PolarHBondContact O-N 3.41Å; K469-E538 IonicContact NZ-OE1 3.59Å; K469-E538 PolarHBondContact NZ-OE1 3.35Å; K469-E538 IonicContact NZ-OE2 2.7Å; K469-E538 PolarHBondContact NZ-OE2 3.43Å; K469-F542 HydrophobicContact CB-CZ 3.95Å; K469-F542 HydrophobicContact CG-CZ 4.24Å; K469-F542 WeakPolarHBondContact O-CE1 3.44Å; K469-Y577 HydrophobicContact CB-CD2 4.35Å; K469-Y577 HydrophobicContact CB-CE2 3.74Å; K469-Y577 HydrophobicContact CD-CE2 4.37Å |
| 470 | C | 80.8 | Confident | 79 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 20% | 0.203 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 174 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | I466 S467 L472 L473 T474 Y577 V581 | I466-C470 PolarHBondContact O-N 3.45Å; I466-C470 PolarHBondContact O-SG 2.98Å; I466-C470 VanDerWaalsContact O-SG 3.38Å; S467-C470 WeakPolarHBondContact O-CB 3.42Å; S467-C470 PolarHBondContact O-N 2.87Å; S467-C470 VanDerWaalsContact O-N 3.16Å; C470-L472 VanDerWaalsContact C-N 3.34Å; C470-L472 PolarHBondContact O-N 2.93Å; C470-L473 PolarHBondContact O-N 3.11Å; C470-T474 WeakPolarHBondContact O-CB 3.46Å; C470-T474 PolarHBondContact O-N 3.14Å; C470-T474 PolarHBondContact O-OG1 3.17Å; C470-Y577 PolarHBondContact SG-O 3.2Å; C470-V581 HydrophobicContact CB-CG2 4.15Å |
| 471 | D | 81 | Confident | 77.8 | Confident | 66 Ų | 66 | 46.8 Ų | 46.8 | 35% | 0.353 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 178.3 | -65.6 | -32.1 | 0 | 0 | 0 | 112 | S467 S475 | S467-D471 PolarHBondContact O-N 3.09Å; D471-S475 WeakPolarHBondContact O-CB 3.42Å; D471-S475 PolarHBondContact O-N 3.16Å; D471-S475 PolarHBondContact O-OG 3.48Å |
| 472 | L | 83.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -46.9 | 174 | -178.2 | 64.1 | 0 | 0 | 0 | 111.4 | H430 C433 F434 I437 F461 L464 S468 K469 C470 T474 S475 L476 F542 | H430-L472 HydrophobicContact CB-CB 4.42Å; C433-L472 HydrophobicContact CB-CD1 3.95Å; C433-L472 HydrophobicContact CB-CD2 3.9Å; F434-L472 HydrophobicContact CB-CD1 3.83Å; F434-L472 HydrophobicContact CD2-CD1 4.48Å; I437-L472 HydrophobicContact CD1-CD1 4.36Å; F461-L472 HydrophobicContact CE1-CD2 4.43Å; F461-L472 HydrophobicContact CE2-CD2 3.89Å; F461-L472 HydrophobicContact CZ-CD2 3.56Å; L464-L472 HydrophobicContact CD1-CD2 4.26Å; S468-L472 VanDerWaalsContact O-CB 3.27Å; S468-L472 WeakPolarHBondContact O-CB 3.27Å; S468-L472 PolarHBondContact O-N 3.35Å; K469-L472 PolarHBondContact O-N 2.78Å; C470-L472 VanDerWaalsContact C-N 3.34Å; C470-L472 PolarHBondContact O-N 2.93Å; L472-T474 VanDerWaalsContact C-N 3.34Å; L472-T474 PolarHBondContact O-N 3.38Å; L472-S475 PolarHBondContact O-N 2.96Å; L472-L476 HydrophobicContact CD1-CD1 4.35Å; L472-L476 HydrophobicContact CD1-CG 4.49Å; L472-L476 HydrophobicContact CG-CD1 4.07Å; L472-L476 WeakPolarHBondContact O-CG 3.49Å; L472-L476 PolarHBondContact O-N 3.45Å; L472-F542 HydrophobicContact CB-CE1 4.11Å; L472-F542 HydrophobicContact CD2-CD1 4.32Å; L472-F542 HydrophobicContact CD2-CE1 3.88Å; L472-F542 HydrophobicContact CD2-CZ 4.32Å; L472-F542 HydrophobicContact CG-CD1 4.39Å; L472-F542 HydrophobicContact CG-CE1 3.97Å |
| 473 | L | 82 | Confident | 76.1 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 179.7 | -168.5 | 60.4 | 0 | 0 | 0 | 110.7 | K469 C470 S475 L476 Q477 F542 A578 V581 I615 | K469-L473 WeakPolarHBondContact O-CB 3.3Å; K469-L473 PolarHBondContact O-N 3.41Å; C470-L473 PolarHBondContact O-N 3.11Å; L473-S475 VanDerWaalsContact C-N 3.34Å; L473-S475 PolarHBondContact O-N 2.77Å; L473-L476 PolarHBondContact O-N 2.95Å; L473-Q477 WeakPolarHBondContact O-CB 3.3Å; L473-Q477 VanDerWaalsContact O-CG 3.3Å; L473-Q477 WeakPolarHBondContact O-CG 3.47Å; L473-Q477 PolarHBondContact O-N 2.86Å; L473-F542 HydrophobicContact CB-CD1 4.13Å; L473-F542 HydrophobicContact CB-CE1 3.69Å; L473-F542 HydrophobicContact CD1-CD1 3.61Å; L473-F542 HydrophobicContact CD1-CE1 4.03Å; L473-F542 HydrophobicContact CD1-CG 4.31Å; L473-F542 HydrophobicContact CG-CD1 4.45Å; L473-F542 HydrophobicContact CG-CE1 4.39Å; L473-A578 HydrophobicContact CD2-CB 3.9Å; L473-V581 HydrophobicContact CB-CG1 4.09Å; L473-V581 HydrophobicContact CB-CG2 4.38Å; L473-V581 HydrophobicContact CD2-CB 4.02Å; L473-V581 HydrophobicContact CD2-CG1 4.1Å; L473-V581 HydrophobicContact CD2-CG2 3.94Å; L473-V581 HydrophobicContact CG-CB 4.4Å; L473-V581 HydrophobicContact CG-CG1 3.92Å; L473-V581 HydrophobicContact CG-CG2 4.48Å; L473-I615 HydrophobicContact CD2-CD1 3.41Å; L473-I615 VanDerWaalsContact CD2-CD1 3.41Å; L473-I615 HydrophobicContact CG-CD1 4.1Å |
| 474 | T | 79.5 | Confident | 75.1 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 29% | 0.288 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 173.9 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | C470 L472 L476 Q477 S478 V581 P582 | C470-T474 WeakPolarHBondContact O-CB 3.46Å; C470-T474 PolarHBondContact O-N 3.14Å; C470-T474 PolarHBondContact O-OG1 3.17Å; L472-T474 VanDerWaalsContact C-N 3.34Å; L472-T474 PolarHBondContact O-N 3.38Å; T474-L476 PolarHBondContact O-N 3.08Å; T474-Q477 PolarHBondContact O-N 3.38Å; T474-S478 WeakPolarHBondContact O-CB 3.39Å; T474-S478 PolarHBondContact O-N 3.27Å; T474-V581 WeakPolarHBondContact OG1-CG1 3.2Å; T474-P582 HydrophobicContact CG2-CG 4.32Å |
| 475 | S | 79.9 | Confident | 74.4 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.3 | -38.7 | -179.9 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | D471 L472 L473 S478 K481 | D471-S475 WeakPolarHBondContact O-CB 3.42Å; D471-S475 PolarHBondContact O-N 3.16Å; D471-S475 PolarHBondContact O-OG 3.48Å; L472-S475 PolarHBondContact O-N 2.96Å; L473-S475 VanDerWaalsContact C-N 3.34Å; L473-S475 PolarHBondContact O-N 2.77Å; S475-S478 PolarHBondContact O-OG 2.9Å; S475-K481 PolarHBondContact OG-NZ 3.45Å |
| 476 | L | 79.4 | Confident | 73.9 | Confident | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.068 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.7 | -36.2 | 175.9 | -73.3 | 167.3 | 0 | 0 | 0 | 113.1 | F434 I437 L472 L473 T474 N482 F542 | F434-L476 HydrophobicContact CD2-CD2 4.02Å; F434-L476 HydrophobicContact CD2-CG 4.28Å; F434-L476 HydrophobicContact CE2-CD2 4.1Å; I437-L476 HydrophobicContact CB-CD2 4.41Å; I437-L476 HydrophobicContact CD1-CD1 3.9Å; I437-L476 HydrophobicContact CD1-CD2 4.05Å; I437-L476 HydrophobicContact CD1-CG 4.49Å; I437-L476 HydrophobicContact CG2-CD2 3.82Å; L472-L476 HydrophobicContact CD1-CD1 4.35Å; L472-L476 HydrophobicContact CD1-CG 4.49Å; L472-L476 HydrophobicContact CG-CD1 4.07Å; L472-L476 WeakPolarHBondContact O-CG 3.49Å; L472-L476 PolarHBondContact O-N 3.45Å; L473-L476 PolarHBondContact O-N 2.95Å; T474-L476 PolarHBondContact O-N 3.08Å; L476-N482 PolarHBondContact O-ND2 3.27Å; L476-F542 HydrophobicContact CD1-CB 4.4Å; L476-F542 HydrophobicContact CD1-CD1 3.77Å |
| 477 | Q | 73.9 | Confident | 73.8 | Confident | 39 Ų | 39 | 47.6 Ų | 47.6 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -83.9 | -16.4 | 179 | -65.2 | -60.4 | -31.3 | 0 | 0 | 113.5 | L473 T474 S479 I583 | L473-Q477 WeakPolarHBondContact O-CB 3.3Å; L473-Q477 VanDerWaalsContact O-CG 3.3Å; L473-Q477 WeakPolarHBondContact O-CG 3.47Å; L473-Q477 PolarHBondContact O-N 2.86Å; T474-Q477 PolarHBondContact O-N 3.38Å; Q477-S479 PolarHBondContact O-N 3.03Å; Q477-I583 HydrophobicContact CB-CG2 4.37Å; Q477-I583 HydrophobicContact CG-CG1 4.3Å |
| 478 | S | 68 | Low | 73.7 | Confident | 21 Ų | 21 | 44 Ų | 44 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | trans | -71.8 | 121.6 | 178.4 | 73.7 | 0 | 0 | 0 | 0 | 111.6 | T474 S475 V480 K481 N482 | T474-S478 WeakPolarHBondContact O-CB 3.39Å; T474-S478 PolarHBondContact O-N 3.27Å; S475-S478 PolarHBondContact O-OG 2.9Å; S478-V480 PolarHBondContact O-N 3.2Å; S478-K481 PolarHBondContact O-N 3.02Å; S478-K481 WeakPolarHBondContact OG-CB 3.34Å; S478-K481 WeakPolarHBondContact OG-CG 3.32Å; S478-K481 PolarHBondContact OG-N 3.31Å; S478-N482 PolarHBondContact O-N 3.3Å | ||
| 479 | S | 59.3 | Low | 73.6 | Confident | 50 Ų | 50 | 43.5 Ų | 43.5 | 35% | 0.35 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -24.6 | 175.4 | 53.6 | 0 | 0 | 0 | 0 | 113 | Q477 S586 | Q477-S479 PolarHBondContact O-N 3.03Å; S479-S586 WeakPolarHBondContact CB-OG 3.32Å; S479-S586 PolarHBondContact OG-OG 2.94Å |
| 480 | V | 58.7 | Low | 73.1 | Confident | 127 Ų | 127 | 46.3 Ų | 46.3 | 77% | 0.77 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -45.8 | -179.8 | -177.6 | 0 | 0 | 0 | 0 | 112.2 | S478 | S478-V480 PolarHBondContact O-N 3.2Š|
| 481 | K | 61.3 | Low | 72.4 | Confident | 123 Ų | 123 | 49.4 Ų | 49.4 | 54% | 0.535 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -31.6 | -177.7 | -56 | 177.5 | 174.2 | 179.5 | 0 | 112.4 | F434 S475 S478 | F434-K481 HydrophobicContact CE1-CB 4.41Å; F434-K481 HydrophobicContact CZ-CB 4Å; F434-K481 WeakPolarHBondContact CZ-O 3.39Å; S475-K481 PolarHBondContact OG-NZ 3.45Å; S478-K481 PolarHBondContact O-N 3.02Å; S478-K481 WeakPolarHBondContact OG-CB 3.34Å; S478-K481 WeakPolarHBondContact OG-CG 3.32Å; S478-K481 PolarHBondContact OG-N 3.31Å |
| 482 | N | 71.2 | Confident | 71.9 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.032 | 27% | 0.265 | C | S | . | . | trans | -118 | 60.9 | -176.3 | -168.2 | 12.4 | 0 | 0 | 0 | 112.2 | F434 L476 S478 N484 R485 S486 | F434-N482 HydrophobicContact CE2-CB 4.16Å; F434-N482 HydrophobicContact CZ-CB 4.2Å; L476-N482 PolarHBondContact O-ND2 3.27Å; S478-N482 PolarHBondContact O-N 3.3Å; N482-N484 PolarHBondContact O-N 2.94Å; N482-N484 VanDerWaalsContact O-N 3.11Å; N482-R485 PolarHBondContact O-N 3.34Å; N482-R485 PolarHBondContact OD1-N 3.38Å; N482-S486 PolarHBondContact ND2-N 3.09Å; N482-S486 PolarHBondContact ND2-O 2.99Å; N482-S486 PolarHBondContact OD1-N 2.89Å | ||
| 483 | A | 59.9 | Low | 71.1 | Confident | 84 Ų | 84 | 52 Ų | 52 | 69% | 0.694 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -30.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R485 | A483-R485 VanDerWaalsContact C-N 3.32Å; A483-R485 PolarHBondContact O-N 3.38Å |
| 484 | N | 62.9 | Low | 70.6 | Confident | 99 Ų | 99 | 56.3 Ų | 56.3 | 53% | 0.529 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -3.8 | -178.7 | -71.9 | -17.4 | 0 | 0 | 0 | 114.4 | N482 S486 | N482-N484 PolarHBondContact O-N 2.94Å; N482-N484 VanDerWaalsContact O-N 3.11Å; N484-S486 PolarHBondContact O-N 3.19Å |
| 485 | R | 69.8 | Low | 70.3 | Confident | 160 Ų | 160 | 58.7 Ų | 58.7 | 60% | 0.604 | 32% | 0.323 | S | S | * | . | trans | 50.6 | 40.6 | -173.7 | -59.7 | -176 | 177 | -174.8 | -2.2 | 112.6 | N482 A483 T587 | N482-R485 PolarHBondContact O-N 3.34Å; N482-R485 PolarHBondContact OD1-N 3.38Å; A483-R485 VanDerWaalsContact C-N 3.32Å; A483-R485 PolarHBondContact O-N 3.38Å; R485-T587 PolarHBondContact NH2-OG1 2.98Å | ||
| 486 | S | 73.8 | Confident | 70.2 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | trans | -67.7 | 135.9 | 180 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | D441 N482 N484 | D441-S486 WeakPolarHBondContact CB-OG 3.38Å; D441-S486 VanDerWaalsContact CG-OG 3.31Å; D441-S486 PolarHBondContact OD2-OG 3.43Å; N482-S486 PolarHBondContact ND2-N 3.09Å; N482-S486 PolarHBondContact ND2-O 2.99Å; N482-S486 PolarHBondContact OD1-N 2.89Å; N484-S486 PolarHBondContact O-N 3.19Å | ||
| 487 | T | 77.8 | Confident | 69.8 | Low | 19 Ų | 19 | 63.1 Ų | 63.1 | 12% | 0.117 | 34% | 0.343 | C | S | . | . | trans | -128.7 | 150.9 | -175.6 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | R444 L489 T543 | R444-T487 PolarHBondContact NH1-O 3.34Å; T487-L489 VanDerWaalsContact C-N 3.26Å; T487-L489 WeakPolarHBondContact CB-O 3.41Å; T487-L489 PolarHBondContact O-N 2.59Å; T487-L489 PolarHBondContact OG1-O 3.28Å; T487-T543 HydrophobicContact CG2-CG2 4.38Å | ||
| 488 | P | 78.4 | Confident | 70 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -64.7 | -29.1 | -178.4 | 24.4 | -32.7 | 0 | 0 | 0 | 112.9 | I437 R444 L457 L539 F542 | I437-P488 HydrophobicContact CD1-CB 4.21Å; I437-P488 HydrophobicContact CG1-CB 4.24Å; R444-P488 PolarHBondContact NH2-O 2.75Å; L457-P488 HydrophobicContact CD2-CB 3.77Å; P488-L539 HydrophobicContact CB-CD2 4.23Å; P488-F542 WeakPolarHBondContact CD-O 3.39Å; P488-F542 HydrophobicContact CG-CB 3.68Å |
| 489 | L | 79.5 | Confident | 70.5 | Confident | 6 Ų | 6 | 67.6 Ų | 67.6 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -114 | 162.6 | 171.7 | -48.6 | 179.3 | 0 | 0 | 0 | 111.1 | R444 T487 N491 L539 L540 T543 | R444-L489 VanDerWaalsContact NH1-C 3.31Å; R444-L489 PolarHBondContact NH1-O 3.09Å; T487-L489 VanDerWaalsContact C-N 3.26Å; T487-L489 WeakPolarHBondContact CB-O 3.41Å; T487-L489 PolarHBondContact O-N 2.59Å; T487-L489 PolarHBondContact OG1-O 3.28Å; L489-N491 PolarHBondContact O-N 3.3Å; L489-L539 HydrophobicContact CD1-CB 4.03Å; L489-L539 HydrophobicContact CD2-CB 4.21Å; L489-L539 HydrophobicContact CD2-CD1 4.49Å; L489-L539 HydrophobicContact CG-CB 4.25Å; L489-L540 HydrophobicContact CD1-CD2 3.91Å; L489-L540 HydrophobicContact CD1-CG 4.35Å; L489-T543 HydrophobicContact CB-CG2 4.09Å; L489-T543 VanDerWaalsContact CB-OG1 3.3Å; L489-T543 WeakPolarHBondContact CB-OG1 3.09Å; L489-T543 WeakPolarHBondContact CG-OG1 3.27Å; L489-T543 PolarHBondContact N-OG1 3.11Å |
| 490 | L | 74.9 | Confident | 71.4 | Confident | 78 Ų | 78 | 65.6 Ų | 65.6 | 41% | 0.408 | 35% | 0.347 | S | S | . | . | trans | -65.2 | 123 | 179.3 | -167.6 | 72.1 | 0 | 0 | 0 | 110.1 | S492 H495 | L490-S492 PolarHBondContact O-N 2.71Å; L490-H495 VanDerWaalsContact CD2-CD2 3.43Å; L490-H495 WeakPolarHBondContact CD2-CD2 3.44Å | ||
| 491 | N | 64.9 | Low | 72.3 | Confident | 95 Ų | 95 | 67.6 Ų | 67.6 | 51% | 0.508 | 34% | 0.341 | S | S | . | . | trans | -75.3 | 20.4 | -175.6 | -160.3 | 11.6 | 0 | 0 | 0 | 113.9 | L489 | L489-N491 PolarHBondContact O-N 3.3Š| ||
| 492 | S | 70.6 | Confident | 73.2 | Confident | 39 Ų | 39 | 67.9 Ų | 67.9 | 27% | 0.273 | 34% | 0.344 | S | S | . | . | trans | -73.3 | 131.1 | 174.1 | 114.7 | 0 | 0 | 0 | 0 | 109 | L490 V494 H495 F496 | L490-S492 PolarHBondContact O-N 2.71Å; S492-V494 PolarHBondContact O-N 3.35Å; S492-H495 PolarHBondContact O-N 3.03Å; S492-H495 WeakPolarHBondContact OG-CB 3.3Å; S492-H495 PolarHBondContact OG-CD2 2.72Å; S492-H495 PolarHBondContact OG-N 3.03Å; S492-F496 WeakPolarHBondContact O-CB 3.48Å; S492-F496 PolarHBondContact O-N 3.36Å | ||
| 493 | T | 68.2 | Low | 73.7 | Confident | 83 Ų | 83 | 68 Ų | 68 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -55.8 | -40.1 | -179.2 | 50.1 | 0 | 0 | 0 | 0 | 111.8 | Q497 | T493-Q497 WeakPolarHBondContact O-CB 3.41Å; T493-Q497 VanDerWaalsContact O-CG 3.25Å; T493-Q497 WeakPolarHBondContact O-CG 3.26Å; T493-Q497 PolarHBondContact O-N 3.32Å |
| 494 | V | 71.3 | Confident | 74.6 | Confident | 90 Ų | 90 | 64.5 Ų | 64.5 | 55% | 0.545 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67 | -45 | 178.7 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | S492 Q497 T498 | S492-V494 PolarHBondContact O-N 3.35Å; V494-Q497 PolarHBondContact O-N 2.79Å; V494-T498 WeakPolarHBondContact O-CB 3.29Å; V494-T498 WeakPolarHBondContact O-CG2 3.16Å; V494-T498 PolarHBondContact O-N 2.67Å; V494-T498 PolarHBondContact O-OG1 2.95Å |
| 495 | H | 73 | Confident | 75.2 | Confident | 96 Ų | 96 | 62.6 Ų | 62.6 | 44% | 0.444 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.2 | -36.3 | 179.7 | -75.1 | -57.5 | 0 | 0 | 0 | 111.9 | L490 S492 T498 R499 | L490-H495 VanDerWaalsContact CD2-CD2 3.43Å; L490-H495 WeakPolarHBondContact CD2-CD2 3.44Å; S492-H495 PolarHBondContact O-N 3.03Å; S492-H495 WeakPolarHBondContact OG-CB 3.3Å; S492-H495 PolarHBondContact OG-CD2 2.72Å; S492-H495 PolarHBondContact OG-N 3.03Å; H495-T498 VanDerWaalsContact CA-OG1 3.32Å; H495-T498 WeakPolarHBondContact CA-OG1 3.32Å; H495-T498 PolarHBondContact O-OG1 3.28Å; H495-R499 WeakPolarHBondContact O-CG 3.21Å; H495-R499 PolarHBondContact O-N 3.41Å |
| 496 | F | 76.5 | Confident | 75.3 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 2% | 0.022 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.8 | -48.4 | 174.8 | -172.1 | -100 | 0 | 0 | 0 | 111.6 | S492 T498 R499 I500 L540 T543 N544 R547 F548 | S492-F496 WeakPolarHBondContact O-CB 3.48Å; S492-F496 PolarHBondContact O-N 3.36Å; F496-T498 PolarHBondContact O-N 3.31Å; F496-R499 PolarHBondContact O-N 3.47Å; F496-I500 HydrophobicContact CD1-CD1 3.65Å; F496-I500 HydrophobicContact CD1-CG1 4.41Å; F496-I500 HydrophobicContact CE1-CD1 3.11Å; F496-I500 HydrophobicContact CE1-CG1 4.15Å; F496-I500 HydrophobicContact CE2-CD1 4.45Å; F496-I500 HydrophobicContact CZ-CD1 3.59Å; F496-I500 HydrophobicContact CZ-CG1 4.39Å; F496-I500 WeakPolarHBondContact O-CG1 3.46Å; F496-I500 PolarHBondContact O-N 3.25Å; F496-L540 HydrophobicContact CD2-CD2 3.94Å; F496-L540 HydrophobicContact CE2-CD2 3.77Å; F496-T543 HydrophobicContact CD2-CG2 4.16Å; F496-T543 HydrophobicContact CE2-CG2 4.31Å; F496-N544 HydrophobicContact CE1-CB 4.49Å; F496-N544 HydrophobicContact CE2-CB 3.92Å; F496-N544 HydrophobicContact CZ-CB 3.82Å; F496-R547 HydrophobicContact CD1-CG 4.48Å; F496-R547 HydrophobicContact CE1-CB 4.05Å; F496-R547 VanDerWaalsContact CE1-CD 3.48Å; F496-R547 HydrophobicContact CE1-CG 3.71Å; F496-R547 HydrophobicContact CZ-CB 4.39Å; F496-F548 HydrophobicContact CZ-CB 4.14Å |
| 497 | Q | 72.4 | Confident | 75.1 | Confident | 104 Ų | 104 | 60.7 Ų | 60.7 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 177.5 | -78.5 | 172.6 | -19.7 | 0 | 0 | 112.8 | T493 V494 I500 R501 | T493-Q497 WeakPolarHBondContact O-CB 3.41Å; T493-Q497 VanDerWaalsContact O-CG 3.25Å; T493-Q497 WeakPolarHBondContact O-CG 3.26Å; T493-Q497 PolarHBondContact O-N 3.32Å; V494-Q497 PolarHBondContact O-N 2.79Å; Q497-I500 PolarHBondContact O-N 3.14Å; Q497-R501 WeakPolarHBondContact O-CB 3.22Å; Q497-R501 PolarHBondContact O-N 3.32Å |
| 498 | T | 77.9 | Confident | 74.4 | Confident | 64 Ų | 64 | 61.4 Ų | 61.4 | 39% | 0.393 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 178.5 | 44 | 0 | 0 | 0 | 0 | 112 | V494 H495 F496 R501 Q502 | V494-T498 WeakPolarHBondContact O-CB 3.29Å; V494-T498 WeakPolarHBondContact O-CG2 3.16Å; V494-T498 PolarHBondContact O-N 2.67Å; V494-T498 PolarHBondContact O-OG1 2.95Å; H495-T498 VanDerWaalsContact CA-OG1 3.32Å; H495-T498 WeakPolarHBondContact CA-OG1 3.32Å; H495-T498 PolarHBondContact O-OG1 3.28Å; F496-T498 PolarHBondContact O-N 3.31Å; T498-R501 PolarHBondContact O-N 3.38Å; T498-Q502 WeakPolarHBondContact O-CG 3.43Å; T498-Q502 PolarHBondContact O-N 2.99Å |
| 499 | R | 77.6 | Confident | 73.4 | Confident | 90 Ų | 90 | 66.1 Ų | 66.1 | 34% | 0.34 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 175.1 | -73.3 | -176.5 | -177.3 | -158.3 | 3.6 | 112.9 | H495 F496 R501 Q502 L503 L540 | H495-R499 WeakPolarHBondContact O-CG 3.21Å; H495-R499 PolarHBondContact O-N 3.41Å; F496-R499 PolarHBondContact O-N 3.47Å; R499-R501 VanDerWaalsContact C-N 3.32Å; R499-R501 PolarHBondContact O-N 2.95Å; R499-Q502 PolarHBondContact O-N 2.79Å; R499-L503 WeakPolarHBondContact O-CB 3.24Å; R499-L503 PolarHBondContact O-N 2.88Å; R499-L540 HydrophobicContact CB-CD2 4.06Å |
| 500 | I | 78.9 | Confident | 72 | Confident | 9 Ų | 9 | 68.5 Ų | 68.5 | 5% | 0.046 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.4 | -47.6 | 172.4 | -75.4 | -176.8 | 0 | 0 | 0 | 110.3 | F496 Q497 Q502 L503 F504 L540 F548 E551 | F496-I500 HydrophobicContact CD1-CD1 3.65Å; F496-I500 HydrophobicContact CD1-CG1 4.41Å; F496-I500 HydrophobicContact CE1-CD1 3.11Å; F496-I500 HydrophobicContact CE1-CG1 4.15Å; F496-I500 HydrophobicContact CE2-CD1 4.45Å; F496-I500 HydrophobicContact CZ-CD1 3.59Å; F496-I500 HydrophobicContact CZ-CG1 4.39Å; F496-I500 WeakPolarHBondContact O-CG1 3.46Å; F496-I500 PolarHBondContact O-N 3.25Å; Q497-I500 PolarHBondContact O-N 3.14Å; I500-Q502 VanDerWaalsContact C-N 3.32Å; I500-Q502 PolarHBondContact O-N 3.15Å; I500-L503 PolarHBondContact O-N 3.47Å; I500-F504 HydrophobicContact CG2-CD1 4.36Å; I500-F504 HydrophobicContact CG2-CD2 3.55Å; I500-F504 HydrophobicContact CG2-CE1 4.16Å; I500-F504 HydrophobicContact CG2-CE2 3.34Å; I500-F504 HydrophobicContact CG2-CG 4.08Å; I500-F504 HydrophobicContact CG2-CZ 3.65Å; I500-F504 WeakPolarHBondContact O-CB 2.97Å; I500-F504 WeakPolarHBondContact O-CG 3.44Å; I500-F504 PolarHBondContact O-N 3.28Å; I500-L540 HydrophobicContact CG1-CD1 4.09Å; I500-L540 HydrophobicContact CG1-CD2 4.25Å; I500-F548 HydrophobicContact CD1-CD2 4.5Å; I500-E551 HydrophobicContact CD1-CB 4.33Å; I500-E551 HydrophobicContact CD1-CG 4.26Å; I500-E551 HydrophobicContact CG2-CB 4.4Å |
| 501 | R | 78 | Confident | 70.7 | Confident | 169 Ų | 169 | 67.5 Ų | 67.5 | 64% | 0.638 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.3 | -41.7 | 179.5 | -175.4 | 177.1 | 178.5 | -177.4 | -0.6 | 112 | Q497 T498 R499 N505 | Q497-R501 WeakPolarHBondContact O-CB 3.22Å; Q497-R501 PolarHBondContact O-N 3.32Å; T498-R501 PolarHBondContact O-N 3.38Å; R499-R501 VanDerWaalsContact C-N 3.32Å; R499-R501 PolarHBondContact O-N 2.95Å; R501-N505 WeakPolarHBondContact O-CB 3.46Å; R501-N505 PolarHBondContact O-N 3.46Å; R501-N505 PolarHBondContact O-ND2 3.42Å; R501-N505 PolarHBondContact O-OD1 2.94Å |
| 502 | Q | 79.8 | Confident | 69.6 | Low | 128 Ų | 128 | 68.5 Ų | 68.5 | 60% | 0.598 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.9 | -44.7 | 175.4 | -74.3 | 172.6 | -12 | 0 | 0 | 111.7 | T498 R499 I500 N505 R506 | T498-Q502 WeakPolarHBondContact O-CG 3.43Å; T498-Q502 PolarHBondContact O-N 2.99Å; R499-Q502 PolarHBondContact O-N 2.79Å; I500-Q502 VanDerWaalsContact C-N 3.32Å; I500-Q502 PolarHBondContact O-N 3.15Å; Q502-N505 PolarHBondContact O-N 2.97Å; Q502-R506 WeakPolarHBondContact O-CG 3.07Å; Q502-R506 PolarHBondContact O-N 3.02Å |
| 503 | L | 81 | Confident | 68.3 | Low | 8 Ų | 8 | 73.5 Ų | 73.5 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.3 | -45 | 178.5 | -169.3 | 136.2 | 0 | 0 | 0 | 111.8 | R499 I500 R506 L507 F533 D536 L540 | R499-L503 WeakPolarHBondContact O-CB 3.24Å; R499-L503 PolarHBondContact O-N 2.88Å; I500-L503 PolarHBondContact O-N 3.47Å; L503-R506 WeakPolarHBondContact O-CB 3.46Å; L503-R506 PolarHBondContact O-N 3.31Å; L503-R506 VanDerWaalsContact O-N 3.15Å; L503-L507 HydrophobicContact CD2-CD1 4.05Å; L503-L507 PolarHBondContact O-N 3.38Å; L503-F533 HydrophobicContact CD1-CE2 4.35Å; L503-F533 HydrophobicContact CD1-CZ 4.49Å; L503-F533 HydrophobicContact CD2-CE2 4.01Å; L503-F533 HydrophobicContact CD2-CZ 3.7Å; L503-F533 HydrophobicContact CG-CE2 3.73Å; L503-F533 HydrophobicContact CG-CZ 3.94Å; L503-D536 HydrophobicContact CD1-CB 3.77Å; L503-L540 HydrophobicContact CD1-CD1 3.9Å |
| 504 | F | 78.8 | Confident | 66.8 | Low | 12 Ų | 12 | 73 Ų | 73 | 5% | 0.053 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.3 | -35.3 | 178.5 | -70.9 | -2.4 | 0 | 0 | 0 | 112.7 | I500 R506 L507 V508 E551 L552 L555 | I500-F504 HydrophobicContact CG2-CD1 4.36Å; I500-F504 HydrophobicContact CG2-CD2 3.55Å; I500-F504 HydrophobicContact CG2-CE1 4.16Å; I500-F504 HydrophobicContact CG2-CE2 3.34Å; I500-F504 HydrophobicContact CG2-CG 4.08Å; I500-F504 HydrophobicContact CG2-CZ 3.65Å; I500-F504 WeakPolarHBondContact O-CB 2.97Å; I500-F504 WeakPolarHBondContact O-CG 3.44Å; I500-F504 PolarHBondContact O-N 3.28Å; F504-R506 VanDerWaalsContact C-N 3.27Å; F504-R506 PolarHBondContact O-N 3.17Å; F504-L507 HydrophobicContact CD1-CD1 4.09Å; F504-L507 PolarHBondContact O-N 3.37Å; F504-V508 WeakPolarHBondContact O-CG2 3.34Å; F504-V508 PolarHBondContact O-N 3.11Å; F504-E551 HydrophobicContact CE2-CB 3.83Å; F504-E551 VanDerWaalsContact CE2-O 3.31Å; F504-E551 WeakPolarHBondContact CE2-O 3.45Å; F504-E551 VanDerWaalsContact CZ-C 3.44Å; F504-E551 HydrophobicContact CZ-CB 3.83Å; F504-E551 WeakPolarHBondContact CZ-O 3.29Å; F504-L552 HydrophobicContact CE1-CD1 4.21Å; F504-L552 HydrophobicContact CZ-CB 4.41Å; F504-L555 HydrophobicContact CB-CD1 3.78Å; F504-L555 HydrophobicContact CD1-CD1 4.39Å; F504-L555 HydrophobicContact CD1-CD2 4.05Å; F504-L555 HydrophobicContact CD2-CD1 3.6Å; F504-L555 HydrophobicContact CD2-CG 4.49Å; F504-L555 HydrophobicContact CE1-CD2 4.41Å; F504-L555 HydrophobicContact CE2-CB 4.42Å; F504-L555 HydrophobicContact CE2-CD1 4.19Å; F504-L555 HydrophobicContact CG-CD1 3.7Å; F504-L555 HydrophobicContact CG-CD2 4.17Å; F504-L555 HydrophobicContact CG-CG 4.48Å |
| 505 | N | 75.3 | Confident | 65.2 | Low | 59 Ų | 59 | 73.8 Ų | 73.8 | 32% | 0.316 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 171.9 | -71.8 | -12.7 | 0 | 0 | 0 | 111.3 | R501 Q502 V508 V509 R559 | R501-N505 WeakPolarHBondContact O-CB 3.46Å; R501-N505 PolarHBondContact O-N 3.46Å; R501-N505 PolarHBondContact O-ND2 3.42Å; R501-N505 PolarHBondContact O-OD1 2.94Å; Q502-N505 PolarHBondContact O-N 2.97Å; N505-V508 PolarHBondContact O-N 2.59Å; N505-V509 WeakPolarHBondContact O-CB 3.18Å; N505-V509 WeakPolarHBondContact O-CG2 3.31Å; N505-V509 PolarHBondContact O-N 2.96Å; N505-R559 PolarHBondContact OD1-NH2 2.82Å |
| 506 | R | 72.2 | Confident | 63.5 | Low | 117 Ų | 117 | 75.6 Ų | 75.6 | 44% | 0.442 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 174.8 | -69.5 | 174.5 | 70.2 | -176.1 | 2.4 | 112.3 | Q502 L503 F504 S510 F533 D536 | Q502-R506 WeakPolarHBondContact O-CG 3.07Å; Q502-R506 PolarHBondContact O-N 3.02Å; L503-R506 WeakPolarHBondContact O-CB 3.46Å; L503-R506 PolarHBondContact O-N 3.31Å; L503-R506 VanDerWaalsContact O-N 3.15Å; F504-R506 VanDerWaalsContact C-N 3.27Å; F504-R506 PolarHBondContact O-N 3.17Å; R506-S510 PolarHBondContact O-OG 3.37Å; R506-F533 HydrophobicContact CB-CE2 4.29Å; R506-D536 IonicContact NH1-OD2 2.75Å; R506-D536 PolarHBondContact NH1-OD2 3.07Å |
| 507 | L | 71 | Confident | 61.7 | Low | 4 Ų | 4 | 83.2 Ų | 83.2 | 2% | 0.021 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64.6 | -36.7 | 174.9 | -80.4 | 163.2 | 0 | 0 | 0 | 113.2 | L503 F504 S510 L528 F533 L555 A567 | L503-L507 HydrophobicContact CD2-CD1 4.05Å; L503-L507 PolarHBondContact O-N 3.38Å; F504-L507 HydrophobicContact CD1-CD1 4.09Å; F504-L507 PolarHBondContact O-N 3.37Å; L507-S510 PolarHBondContact O-OG 3.33Å; L507-L528 HydrophobicContact CD2-CD2 4.15Å; L507-F533 HydrophobicContact CD1-CZ 3.74Å; L507-F533 HydrophobicContact CD2-CE1 4.11Å; L507-F533 HydrophobicContact CD2-CE2 4.38Å; L507-F533 HydrophobicContact CD2-CZ 3.62Å; L507-F533 HydrophobicContact CG-CE1 4.37Å; L507-F533 HydrophobicContact CG-CE2 3.94Å; L507-F533 HydrophobicContact CG-CZ 3.43Å; L507-F533 VanDerWaalsContact CG-CZ 3.43Å; L507-L555 HydrophobicContact CB-CD2 4.31Å; L507-L555 HydrophobicContact CD1-CD2 3.71Å; L507-A567 HydrophobicContact CD2-CB 4.42Å |
| 508 | V | 62.8 | Low | 59.9 | Low | 33 Ų | 33 | 85.2 Ų | 85.2 | 20% | 0.2 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -83.8 | -36.2 | -175.1 | 175.8 | 0 | 0 | 0 | 0 | 112.3 | F504 N505 S510 R559 | F504-V508 WeakPolarHBondContact O-CG2 3.34Å; F504-V508 PolarHBondContact O-N 3.11Å; N505-V508 PolarHBondContact O-N 2.59Å; V508-S510 PolarHBondContact O-N 2.95Å; V508-R559 HydrophobicContact CG2-CG 4.47Å |
| 509 | V | 56.1 | Low | 57.6 | Low | 100 Ų | 100 | 91.4 Ų | 91.4 | 61% | 0.606 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -70.9 | -27 | -174.5 | 170.2 | 0 | 0 | 0 | 0 | 113 | N505 N511 | N505-V509 WeakPolarHBondContact O-CB 3.18Å; N505-V509 WeakPolarHBondContact O-CG2 3.31Å; N505-V509 PolarHBondContact O-N 2.96Å; V509-N511 VanDerWaalsContact C-N 3.32Å; V509-N511 PolarHBondContact O-N 3.4Å |
| 510 | S | 51.6 | Low | 55.7 | Low | 55 Ų | 55 | 92.6 Ų | 92.6 | 39% | 0.385 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -20.5 | -177.2 | 49 | 0 | 0 | 0 | 0 | 114.6 | R506 L507 V508 L528 | R506-S510 PolarHBondContact O-OG 3.37Å; L507-S510 PolarHBondContact O-OG 3.33Å; V508-S510 PolarHBondContact O-N 2.95Å; S510-L528 WeakPolarHBondContact OG-CD1 3.36Å |
| 511 | N | 47.1 | Very low | 53.8 | Low | 57 Ų | 57 | 97.8 Ų | 97.8 | 31% | 0.305 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -4.3 | -173.8 | -78.1 | 8.4 | 0 | 0 | 0 | 114.6 | V509 | V509-N511 VanDerWaalsContact C-N 3.32Å; V509-N511 PolarHBondContact O-N 3.4Å |
| 512 | V | 42 | Very low | 52 | Low | 117 Ų | 117 | 93 Ų | 93 | 71% | 0.709 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -11 | -172.9 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 513 | N | 42.5 | Very low | 50.2 | Low | 143 Ų | 143 | 93.3 Ų | 93.3 | 77% | 0.765 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 8.3 | -171 | -68.4 | -10.5 | 0 | 0 | 0 | 115.4 | ||
| 514 | S | 36 | Very low | 48.4 | Very low | 74 Ų | 74 | 98.5 Ų | 98.5 | 52% | 0.517 | 53% | 0.528 | S | S | . | . | trans | -102 | 83.8 | 178.7 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 515 | S | 39.6 | Very low | 46.9 | Very low | 105 Ų | 105 | 99.3 Ų | 99.3 | 73% | 0.734 | 53% | 0.534 | S | S | * | . | trans | -95.2 | 12 | 169.6 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 516 | D | 37.4 | Very low | 45.5 | Very low | 135 Ų | 135 | 102 Ų | 102 | 72% | 0.722 | 55% | 0.548 | S | S | * | . | trans | -108.3 | 105.8 | -179 | -76.2 | -20.3 | 0 | 0 | 0 | 110.5 | N518 | D516-N518 PolarHBondContact O-N 3.27Š| ||
| 517 | D | 37.3 | Very low | 44.4 | Very low | 164 Ų | 164 | 102.8 Ų | 102.8 | 88% | 0.877 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -66.1 | 22.1 | -176.1 | -72.5 | -38 | 0 | 0 | 0 | 115.6 | ||
| 518 | N | 34 | Very low | 43.7 | Very low | 147 Ų | 147 | 104.2 Ų | 104.2 | 79% | 0.786 | 57% | 0.569 | S | S | * | * | trans | -149.7 | 51.5 | -167.8 | -97.2 | -27.2 | 0 | 0 | 0 | 114.5 | D516 | D516-N518 PolarHBondContact O-N 3.27Š| ||
| 519 | Y | 31.5 | Very low | 43.7 | Very low | 194 Ų | 194 | 103.9 Ų | 103.9 | 76% | 0.761 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -149.4 | 143.4 | 167.7 | -92.3 | -83.2 | 0 | 0 | 0 | 111.8 | N521 | Y519-N521 PolarHBondContact O-N 3.32Š|
| 520 | D | 36.2 | Very low | 44.3 | Very low | 114 Ų | 114 | 103.1 Ų | 103.1 | 61% | 0.61 | 56% | 0.557 | S | S | * | * | trans | -48 | 93.3 | 178.3 | -87 | -36.1 | 0 | 0 | 0 | 112.9 | S522 Q523 | D520-S522 PolarHBondContact O-N 3.41Å; D520-Q523 PolarHBondContact O-N 2.97Å; D520-Q523 VanDerWaalsContact O-N 3.1Å | ||
| 521 | N | 40.5 | Very low | 45.3 | Very low | 118 Ų | 118 | 106.8 Ų | 106.8 | 63% | 0.631 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -56.1 | -20.1 | -179.8 | -80.6 | -29.5 | 0 | 0 | 0 | 113.4 | Y519 V525 | Y519-N521 PolarHBondContact O-N 3.32Å; N521-V525 WeakPolarHBondContact O-CG2 3.45Å; N521-V525 PolarHBondContact O-N 3.49Å |
| 522 | S | 40.2 | Very low | 46.6 | Very low | 70 Ų | 70 | 108.3 Ų | 108.3 | 49% | 0.49 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.4 | -35 | 177.2 | 49 | 0 | 0 | 0 | 0 | 113.6 | D520 L526 | D520-S522 PolarHBondContact O-N 3.41Å; S522-L526 WeakPolarHBondContact O-CB 3.18Å; S522-L526 VanDerWaalsContact O-CD1 3.29Å; S522-L526 WeakPolarHBondContact O-CD1 3.46Å; S522-L526 VanDerWaalsContact O-CG 3.23Å; S522-L526 WeakPolarHBondContact O-CG 3.34Å; S522-L526 PolarHBondContact O-N 3.48Å; S522-L526 VanDerWaalsContact O-N 3.16Å |
| 523 | Q | 41.3 | Very low | 48.4 | Very low | 134 Ų | 134 | 103 Ų | 103 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -79.9 | -35.9 | -175.9 | -78 | -177.3 | -9.9 | 0 | 0 | 113 | D520 L526 N527 | D520-Q523 PolarHBondContact O-N 2.97Å; D520-Q523 VanDerWaalsContact O-N 3.1Å; Q523-L526 PolarHBondContact O-N 3.46Å; Q523-N527 PolarHBondContact O-N 3.38Å |
| 524 | Q | 42.1 | Very low | 50.2 | Low | 116 Ų | 116 | 98 Ų | 98 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.4 | -36.5 | 176 | -76.5 | -174.5 | -4.4 | 0 | 0 | 112.3 | N527 L528 | Q524-N527 PolarHBondContact O-N 2.68Å; Q524-L528 PolarHBondContact O-N 3.18Å |
| 525 | V | 47.5 | Very low | 52.4 | Low | 29 Ų | 29 | 95.1 Ų | 95.1 | 18% | 0.176 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -73.1 | -31.2 | 176.3 | -174.5 | 0 | 0 | 0 | 0 | 111.4 | N521 N527 L528 F529 | N521-V525 WeakPolarHBondContact O-CG2 3.45Å; N521-V525 PolarHBondContact O-N 3.49Å; V525-N527 VanDerWaalsContact C-N 3.29Å; V525-N527 PolarHBondContact O-N 2.83Å; V525-L528 WeakPolarHBondContact O-CB 3.39Å; V525-L528 PolarHBondContact O-N 3.03Å; V525-L528 VanDerWaalsContact O-N 3.13Å; V525-F529 HydrophobicContact CG1-CE2 4.5Å |
| 526 | L | 46.1 | Very low | 54.4 | Low | 116 Ų | 116 | 91.9 Ų | 91.9 | 61% | 0.607 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.2 | -31.3 | 170.4 | -80.7 | 163.9 | 0 | 0 | 0 | 112.8 | S522 Q523 L528 | S522-L526 WeakPolarHBondContact O-CB 3.18Å; S522-L526 VanDerWaalsContact O-CD1 3.29Å; S522-L526 WeakPolarHBondContact O-CD1 3.46Å; S522-L526 VanDerWaalsContact O-CG 3.23Å; S522-L526 WeakPolarHBondContact O-CG 3.34Å; S522-L526 PolarHBondContact O-N 3.48Å; S522-L526 VanDerWaalsContact O-N 3.16Å; Q523-L526 PolarHBondContact O-N 3.46Å; L526-L528 VanDerWaalsContact C-N 3.27Å; L526-L528 PolarHBondContact O-N 3.5Å |
| 527 | N | 50.6 | Low | 56.5 | Low | 134 Ų | 134 | 85.4 Ų | 85.4 | 72% | 0.717 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -13.2 | 173.1 | -76.7 | -19 | 0 | 0 | 0 | 113.8 | Q523 Q524 V525 F529 | Q523-N527 PolarHBondContact O-N 3.38Å; Q524-N527 PolarHBondContact O-N 2.68Å; V525-N527 VanDerWaalsContact C-N 3.29Å; V525-N527 PolarHBondContact O-N 2.83Å; N527-F529 VanDerWaalsContact C-N 3.3Å |
| 528 | L | 54.6 | Low | 58.8 | Low | 34 Ų | 34 | 77.8 Ų | 77.8 | 18% | 0.178 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -33.7 | 179 | -133 | 119 | 0 | 0 | 0 | 111.2 | L507 S510 Q524 V525 L526 N530 | L507-L528 HydrophobicContact CD2-CD2 4.15Å; S510-L528 WeakPolarHBondContact OG-CD1 3.36Å; Q524-L528 PolarHBondContact O-N 3.18Å; V525-L528 WeakPolarHBondContact O-CB 3.39Å; V525-L528 PolarHBondContact O-N 3.03Å; V525-L528 VanDerWaalsContact O-N 3.13Å; L526-L528 VanDerWaalsContact C-N 3.27Å; L526-L528 PolarHBondContact O-N 3.5Å; L528-N530 PolarHBondContact O-N 3.15Å |
| 529 | F | 63.8 | Low | 61.2 | Low | 25 Ų | 25 | 71 Ų | 71 | 11% | 0.11 | 36% | 0.356 | C | S | . | . | trans | -90.5 | 67.6 | 177.7 | -54.6 | -71.1 | 0 | 0 | 0 | 111.3 | V525 N527 F533 A567 Q570 L571 | V525-F529 HydrophobicContact CG1-CE2 4.5Å; N527-F529 VanDerWaalsContact C-N 3.3Å; F529-F533 AromaticContact CD1-CD1 3.91Å; F529-F533 HydrophobicContact CD1-CD1 3.91Å; F529-F533 HydrophobicContact CD1-CE1 4.02Å; F529-F533 HydrophobicContact CE1-CE1 4.2Å; F529-A567 HydrophobicContact CZ-CB 4.48Å; F529-A567 WeakPolarHBondContact CZ-O 3.24Å; F529-Q570 HydrophobicContact CE2-CB 3.82Å; F529-Q570 HydrophobicContact CZ-CB 3.92Å; F529-L571 HydrophobicContact CD1-CD1 4.09Å; F529-L571 HydrophobicContact CE1-CB 3.94Å; F529-L571 HydrophobicContact CE1-CD1 3.9Å; F529-L571 HydrophobicContact CE1-CG 4.44Å; F529-L571 HydrophobicContact CZ-CB 4.35Å | ||
| 530 | N | 68.1 | Low | 63.7 | Low | 85 Ų | 85 | 62 Ų | 62 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | trans | -57.5 | 146.5 | 164.5 | -173.6 | 7.9 | 0 | 0 | 0 | 109.1 | L528 D532 F533 L534 | L528-N530 PolarHBondContact O-N 3.15Å; N530-D532 PolarHBondContact ND2-OD2 3.1Å; N530-D532 PolarHBondContact O-N 2.91Å; N530-D532 VanDerWaalsContact O-N 3.09Å; N530-F533 WeakPolarHBondContact O-CA 3.36Å; N530-F533 VanDerWaalsContact O-CB 3.28Å; N530-F533 WeakPolarHBondContact O-CB 3.49Å; N530-F533 PolarHBondContact O-N 3.16Å; N530-L534 PolarHBondContact O-N 2.97Å | ||
| 531 | K | 72.3 | Confident | 66 | Low | 132 Ų | 132 | 56.5 Ų | 56.5 | 57% | 0.574 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -48.3 | -40.2 | 177.7 | -72.2 | -179.5 | 166.6 | -167.5 | 0 | 112.4 | E462 F533 L534 L535 | E462-K531 IonicContact OE1-NZ 3.46Å; E462-K531 PolarHBondContact OE1-NZ 2.84Å; K531-F533 VanDerWaalsContact C-N 3.3Å; K531-F533 PolarHBondContact O-N 3.37Å; K531-L534 PolarHBondContact O-N 3.02Å; K531-L535 WeakPolarHBondContact O-CG 3.42Å; K531-L535 PolarHBondContact O-N 3.35Å |
| 532 | D | 74.1 | Confident | 68.1 | Low | 88 Ų | 88 | 51 Ų | 51 | 47% | 0.471 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 177.2 | -64.6 | -36.8 | 0 | 0 | 0 | 112.9 | N530 D536 | N530-D532 PolarHBondContact ND2-OD2 3.1Å; N530-D532 PolarHBondContact O-N 2.91Å; N530-D532 VanDerWaalsContact O-N 3.09Å; D532-D536 PolarHBondContact O-N 3.38Å |
| 533 | F | 80.5 | Confident | 69.9 | Low | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.022 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.6 | -43.4 | 177.9 | -177.8 | -88.9 | 0 | 0 | 0 | 111 | L503 R506 L507 F529 N530 K531 D536 C537 L571 | L503-F533 HydrophobicContact CD1-CE2 4.35Å; L503-F533 HydrophobicContact CD1-CZ 4.49Å; L503-F533 HydrophobicContact CD2-CE2 4.01Å; L503-F533 HydrophobicContact CD2-CZ 3.7Å; L503-F533 HydrophobicContact CG-CE2 3.73Å; L503-F533 HydrophobicContact CG-CZ 3.94Å; R506-F533 HydrophobicContact CB-CE2 4.29Å; L507-F533 HydrophobicContact CD1-CZ 3.74Å; L507-F533 HydrophobicContact CD2-CE1 4.11Å; L507-F533 HydrophobicContact CD2-CE2 4.38Å; L507-F533 HydrophobicContact CD2-CZ 3.62Å; L507-F533 HydrophobicContact CG-CE1 4.37Å; L507-F533 HydrophobicContact CG-CE2 3.94Å; L507-F533 HydrophobicContact CG-CZ 3.43Å; L507-F533 VanDerWaalsContact CG-CZ 3.43Å; F529-F533 AromaticContact CD1-CD1 3.91Å; F529-F533 HydrophobicContact CD1-CD1 3.91Å; F529-F533 HydrophobicContact CD1-CE1 4.02Å; F529-F533 HydrophobicContact CE1-CE1 4.2Å; N530-F533 WeakPolarHBondContact O-CA 3.36Å; N530-F533 VanDerWaalsContact O-CB 3.28Å; N530-F533 WeakPolarHBondContact O-CB 3.49Å; N530-F533 PolarHBondContact O-N 3.16Å; K531-F533 VanDerWaalsContact C-N 3.3Å; K531-F533 PolarHBondContact O-N 3.37Å; F533-D536 PolarHBondContact O-N 2.55Å; F533-C537 VanDerWaalsContact CE1-SG 3.56Å; F533-C537 PolarHBondContact O-N 3.13Å; F533-C537 VanDerWaalsContact O-N 3.08Å; F533-C537 PolarHBondContact O-SG 3.18Å; F533-C537 VanDerWaalsContact O-SG 3.41Å; F533-L571 HydrophobicContact CE1-CD1 4.12Å; F533-L571 HydrophobicContact CE1-CD2 4.36Å |
| 534 | L | 80.6 | Confident | 71.6 | Confident | 39 Ų | 39 | 43.7 Ų | 43.7 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 176 | -167.4 | 108.6 | 0 | 0 | 0 | 111.6 | N530 K531 D536 C537 E538 Q574 | N530-L534 PolarHBondContact O-N 2.97Å; K531-L534 PolarHBondContact O-N 3.02Å; L534-D536 VanDerWaalsContact C-N 3.3Å; L534-D536 PolarHBondContact O-N 3.13Å; L534-C537 WeakPolarHBondContact O-CB 3.14Å; L534-C537 PolarHBondContact O-N 3.38Å; L534-E538 WeakPolarHBondContact O-CG 3.47Å; L534-E538 PolarHBondContact O-N 3.21Å; L534-Q574 HydrophobicContact CD1-CB 3.92Å; L534-Q574 VanDerWaalsContact CD1-CD 3.49Å; L534-Q574 HydrophobicContact CD1-CG 4.21Å |
| 535 | L | 82.5 | Confident | 73.4 | Confident | 14 Ų | 14 | 38.4 Ų | 38.4 | 7% | 0.073 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -39.5 | 177.3 | -73.3 | 169.1 | 0 | 0 | 0 | 112 | F461 E462 K531 E538 L539 | F461-L535 HydrophobicContact CB-CD2 3.87Å; E462-L535 HydrophobicContact CB-CD1 4.43Å; E462-L535 HydrophobicContact CB-CD2 4.5Å; K531-L535 WeakPolarHBondContact O-CG 3.42Å; K531-L535 PolarHBondContact O-N 3.35Å; L535-E538 PolarHBondContact O-N 3.06Å; L535-L539 VanDerWaalsContact O-CG 3.28Å; L535-L539 WeakPolarHBondContact O-CG 3.41Å; L535-L539 PolarHBondContact O-N 3.07Å |
| 536 | D | 81.1 | Confident | 74.8 | Confident | 36 Ų | 36 | 37.3 Ų | 37.3 | 19% | 0.193 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.1 | -39.5 | 175.5 | -74.6 | -27 | 0 | 0 | 0 | 112 | R458 L503 R506 D532 F533 L534 L540 | R458-D536 IonicContact CZ-OD1 3.73Å; R458-D536 IonicContact NH2-OD1 3.1Å; R458-D536 PolarHBondContact NH2-OD1 3.41Å; L503-D536 HydrophobicContact CD1-CB 3.77Å; R506-D536 IonicContact NH1-OD2 2.75Å; R506-D536 PolarHBondContact NH1-OD2 3.07Å; D532-D536 PolarHBondContact O-N 3.38Å; F533-D536 PolarHBondContact O-N 2.55Å; L534-D536 VanDerWaalsContact C-N 3.3Å; L534-D536 PolarHBondContact O-N 3.13Å; D536-L540 WeakPolarHBondContact O-CG 3.31Å; D536-L540 PolarHBondContact O-N 2.93Å; D536-L540 VanDerWaalsContact O-N 3.17Å |
| 537 | C | 82.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 172.5 | -70 | 0 | 0 | 0 | 0 | 111.8 | F533 L534 L540 L541 F548 L571 | F533-C537 VanDerWaalsContact CE1-SG 3.56Å; F533-C537 PolarHBondContact O-N 3.13Å; F533-C537 VanDerWaalsContact O-N 3.08Å; F533-C537 PolarHBondContact O-SG 3.18Å; F533-C537 VanDerWaalsContact O-SG 3.41Å; L534-C537 WeakPolarHBondContact O-CB 3.14Å; L534-C537 PolarHBondContact O-N 3.38Å; C537-L540 PolarHBondContact O-N 3.23Å; C537-L541 WeakPolarHBondContact O-CB 3.48Å; C537-L541 PolarHBondContact O-N 2.97Å; C537-F548 HydrophobicContact CB-CZ 3.94Å; C537-L571 HydrophobicContact CB-CD1 4.41Å |
| 538 | E | 84.6 | Confident | 77.9 | Confident | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.019 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.6 | -47.9 | 177.8 | -70 | -173.2 | 153.5 | 0 | 0 | 110.8 | K469 L534 L535 L540 L541 F542 L575 Y577 | K469-E538 IonicContact NZ-OE1 3.59Å; K469-E538 PolarHBondContact NZ-OE1 3.35Å; K469-E538 IonicContact NZ-OE2 2.7Å; K469-E538 PolarHBondContact NZ-OE2 3.43Å; L534-E538 WeakPolarHBondContact O-CG 3.47Å; L534-E538 PolarHBondContact O-N 3.21Å; L535-E538 PolarHBondContact O-N 3.06Å; E538-L540 VanDerWaalsContact C-N 3.25Å; E538-L540 PolarHBondContact O-N 3.49Å; E538-L541 WeakPolarHBondContact O-CA 3.36Å; E538-L541 WeakPolarHBondContact O-CB 3.27Å; E538-L541 PolarHBondContact O-N 3.27Å; E538-F542 HydrophobicContact CB-CD2 4.31Å; E538-F542 HydrophobicContact CB-CE2 4.3Å; E538-F542 WeakPolarHBondContact O-CD2 2.99Å; E538-F542 PolarHBondContact O-N 3.46Å; E538-L575 HydrophobicContact CG-CD2 4.25Å; E538-Y577 PolarHBondContact OE1-OH 3.07Å; E538-Y577 VanDerWaalsContact OE1-OH 3.11Å |
| 539 | L | 84.5 | Confident | 79.3 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.9 | -37.1 | 178.4 | -71.7 | 171.7 | 0 | 0 | 0 | 113 | L457 R458 F461 P488 L489 L535 T543 | L457-L539 HydrophobicContact CD2-CD2 3.85Å; L457-L539 HydrophobicContact CG-CD2 4.44Å; R458-L539 HydrophobicContact CG-CD1 3.97Å; F461-L539 HydrophobicContact CD1-CD2 4.43Å; F461-L539 HydrophobicContact CE1-CD2 4.34Å; P488-L539 HydrophobicContact CB-CD2 4.23Å; L489-L539 HydrophobicContact CD1-CB 4.03Å; L489-L539 HydrophobicContact CD2-CB 4.21Å; L489-L539 HydrophobicContact CD2-CD1 4.49Å; L489-L539 HydrophobicContact CG-CB 4.25Å; L535-L539 VanDerWaalsContact O-CG 3.28Å; L535-L539 WeakPolarHBondContact O-CG 3.41Å; L535-L539 PolarHBondContact O-N 3.07Å; L539-T543 PolarHBondContact O-N 3.49Å; L539-T543 PolarHBondContact O-OG1 3.38Å |
| 540 | L | 84.2 | Confident | 79.9 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69 | -44.1 | 173.8 | -72.3 | 170.4 | 0 | 0 | 0 | 111.8 | L489 F496 R499 I500 L503 D536 C537 E538 F542 T543 N544 F548 | L489-L540 HydrophobicContact CD1-CD2 3.91Å; L489-L540 HydrophobicContact CD1-CG 4.35Å; F496-L540 HydrophobicContact CD2-CD2 3.94Å; F496-L540 HydrophobicContact CE2-CD2 3.77Å; R499-L540 HydrophobicContact CB-CD2 4.06Å; I500-L540 HydrophobicContact CG1-CD1 4.09Å; I500-L540 HydrophobicContact CG1-CD2 4.25Å; L503-L540 HydrophobicContact CD1-CD1 3.9Å; D536-L540 WeakPolarHBondContact O-CG 3.31Å; D536-L540 PolarHBondContact O-N 2.93Å; D536-L540 VanDerWaalsContact O-N 3.17Å; C537-L540 PolarHBondContact O-N 3.23Å; E538-L540 VanDerWaalsContact C-N 3.25Å; E538-L540 PolarHBondContact O-N 3.49Å; L540-F542 PolarHBondContact O-N 2.99Å; L540-T543 WeakPolarHBondContact O-CB 3.27Å; L540-T543 PolarHBondContact O-N 3.34Å; L540-T543 VanDerWaalsContact O-N 3.09Å; L540-N544 PolarHBondContact O-N 3.34Å; L540-F548 HydrophobicContact CB-CD2 3.64Å; L540-F548 HydrophobicContact CB-CE2 3.95Å; L540-F548 HydrophobicContact CB-CG 4.05Å; L540-F548 HydrophobicContact CD1-CD2 3.99Å; L540-F548 HydrophobicContact CD1-CE2 3.83Å; L540-F548 HydrophobicContact CG-CD2 4.44Å |
| 541 | L | 84.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.3 | -46.6 | 175.8 | 179.9 | 76.7 | 0 | 0 | 0 | 111.7 | C537 E538 T543 P545 F548 L549 L575 A578 | C537-L541 WeakPolarHBondContact O-CB 3.48Å; C537-L541 PolarHBondContact O-N 2.97Å; E538-L541 WeakPolarHBondContact O-CA 3.36Å; E538-L541 WeakPolarHBondContact O-CB 3.27Å; E538-L541 PolarHBondContact O-N 3.27Å; L541-T543 PolarHBondContact O-N 3.02Å; L541-P545 HydrophobicContact CD1-CB 3.98Å; L541-P545 HydrophobicContact CG-CB 4.5Å; L541-P545 WeakPolarHBondContact O-CA 3.3Å; L541-P545 VanDerWaalsContact O-CB 3.3Å; L541-P545 WeakPolarHBondContact O-CB 3.29Å; L541-P545 VanDerWaalsContact O-CD 3.29Å; L541-P545 WeakPolarHBondContact O-CD 3.36Å; L541-P545 VanDerWaalsContact O-N 3.12Å; L541-F548 HydrophobicContact CB-CD1 4.02Å; L541-F548 HydrophobicContact CB-CE1 4.33Å; L541-F548 HydrophobicContact CD1-CD1 4.12Å; L541-L549 HydrophobicContact CD1-CD1 4.08Å; L541-L549 HydrophobicContact CD1-CD2 4.18Å; L541-L549 HydrophobicContact CD1-CG 3.99Å; L541-L575 HydrophobicContact CD2-CD2 4.22Å; L541-A578 HydrophobicContact CD1-CB 4.31Å; L541-A578 HydrophobicContact CD2-CB 3.67Å; L541-A578 HydrophobicContact CG-CB 4.44Å |
| 542 | F | 83.7 | Confident | 80.7 | Confident | 1 Ų | 1 | 16 Ų | 16 | 0% | 0.004 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71.6 | -13.6 | 178 | -76.4 | -82.7 | 0 | 0 | 0 | 113.7 | F461 K469 L472 L473 L476 P488 E538 L540 | F461-F542 HydrophobicContact CD1-CD2 4.44Å; F461-F542 HydrophobicContact CD1-CE2 4.35Å; F461-F542 AromaticContact CE1-CD2 3.5Å; F461-F542 HydrophobicContact CE1-CD2 3.5Å; F461-F542 AromaticContact CE1-CE2 3.64Å; F461-F542 HydrophobicContact CE1-CE2 3.64Å; F461-F542 HydrophobicContact CE1-CG 4.11Å; F461-F542 HydrophobicContact CE1-CZ 4.3Å; F461-F542 HydrophobicContact CZ-CD2 4.26Å; F461-F542 HydrophobicContact CZ-CE2 4.45Å; F461-F542 HydrophobicContact CZ-CG 4.46Å; K469-F542 HydrophobicContact CB-CZ 3.95Å; K469-F542 HydrophobicContact CG-CZ 4.24Å; K469-F542 WeakPolarHBondContact O-CE1 3.44Å; L472-F542 HydrophobicContact CB-CE1 4.11Å; L472-F542 HydrophobicContact CD2-CD1 4.32Å; L472-F542 HydrophobicContact CD2-CE1 3.88Å; L472-F542 HydrophobicContact CD2-CZ 4.32Å; L472-F542 HydrophobicContact CG-CD1 4.39Å; L472-F542 HydrophobicContact CG-CE1 3.97Å; L473-F542 HydrophobicContact CB-CD1 4.13Å; L473-F542 HydrophobicContact CB-CE1 3.69Å; L473-F542 HydrophobicContact CD1-CD1 3.61Å; L473-F542 HydrophobicContact CD1-CE1 4.03Å; L473-F542 HydrophobicContact CD1-CG 4.31Å; L473-F542 HydrophobicContact CG-CD1 4.45Å; L473-F542 HydrophobicContact CG-CE1 4.39Å; L476-F542 HydrophobicContact CD1-CB 4.4Å; L476-F542 HydrophobicContact CD1-CD1 3.77Å; P488-F542 WeakPolarHBondContact CD-O 3.39Å; P488-F542 HydrophobicContact CG-CB 3.68Å; E538-F542 HydrophobicContact CB-CD2 4.31Å; E538-F542 HydrophobicContact CB-CE2 4.3Å; E538-F542 WeakPolarHBondContact O-CD2 2.99Å; E538-F542 PolarHBondContact O-N 3.46Å; L540-F542 PolarHBondContact O-N 2.99Å |
| 543 | T | 79.1 | Confident | 81 | Confident | 8 Ų | 8 | 11.9 Ų | 11.9 | 5% | 0.049 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -86.9 | -52.1 | 175.8 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | T487 L489 F496 L539 L540 L541 | T487-T543 HydrophobicContact CG2-CG2 4.38Å; L489-T543 HydrophobicContact CB-CG2 4.09Å; L489-T543 VanDerWaalsContact CB-OG1 3.3Å; L489-T543 WeakPolarHBondContact CB-OG1 3.09Å; L489-T543 WeakPolarHBondContact CG-OG1 3.27Å; L489-T543 PolarHBondContact N-OG1 3.11Å; F496-T543 HydrophobicContact CD2-CG2 4.16Å; F496-T543 HydrophobicContact CE2-CG2 4.31Å; L539-T543 PolarHBondContact O-N 3.49Å; L539-T543 PolarHBondContact O-OG1 3.38Å; L540-T543 WeakPolarHBondContact O-CB 3.27Å; L540-T543 PolarHBondContact O-N 3.34Å; L540-T543 VanDerWaalsContact O-N 3.09Å; L541-T543 PolarHBondContact O-N 3.02Å |
| 544 | N | 77.1 | Confident | 80.7 | Confident | 44 Ų | 44 | 13 Ų | 13 | 24% | 0.235 | 6% | 0.064 | C | C | . | . | trans | -148.8 | 87.9 | 177.7 | -168.7 | -24.8 | 0 | 0 | 0 | 109.5 | F496 L540 V546 R547 F548 | F496-N544 HydrophobicContact CE1-CB 4.49Å; F496-N544 HydrophobicContact CE2-CB 3.92Å; F496-N544 HydrophobicContact CZ-CB 3.82Å; L540-N544 PolarHBondContact O-N 3.34Å; N544-V546 PolarHBondContact O-N 3.36Å; N544-R547 HydrophobicContact CB-CB 4.25Å; N544-R547 VanDerWaalsContact CG-CB 3.48Å; N544-R547 PolarHBondContact O-N 2.86Å; N544-R547 WeakPolarHBondContact OD1-CB 3.43Å; N544-R547 PolarHBondContact OD1-N 2.84Å; N544-F548 WeakPolarHBondContact O-CB 3.26Å; N544-F548 PolarHBondContact O-N 3.37Å | ||
| 545 | P | 80.3 | Confident | 80.4 | Confident | 4 Ų | 4 | 11.3 Ų | 11.3 | 3% | 0.026 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.2 | -44.9 | -167.5 | 20.8 | -30.4 | 0 | 0 | 0 | 111.9 | L541 F548 L549 I615 | L541-P545 HydrophobicContact CD1-CB 3.98Å; L541-P545 HydrophobicContact CG-CB 4.5Å; L541-P545 WeakPolarHBondContact O-CA 3.3Å; L541-P545 VanDerWaalsContact O-CB 3.3Å; L541-P545 WeakPolarHBondContact O-CB 3.29Å; L541-P545 VanDerWaalsContact O-CD 3.29Å; L541-P545 WeakPolarHBondContact O-CD 3.36Å; L541-P545 VanDerWaalsContact O-N 3.12Å; P545-F548 PolarHBondContact O-N 3.44Å; P545-L549 WeakPolarHBondContact O-CB 3.17Å; P545-L549 VanDerWaalsContact O-CG 3.26Å; P545-L549 WeakPolarHBondContact O-CG 3.41Å; P545-L549 PolarHBondContact O-N 2.89Å; P545-I615 HydrophobicContact CB-CD1 3.79Å; P545-I615 HydrophobicContact CB-CG1 4.35Å; P545-I615 HydrophobicContact CB-CG2 4.37Å; P545-I615 HydrophobicContact CG-CD1 4.08Å; P545-I615 HydrophobicContact CG-CG1 4.47Å |
| 546 | V | 76.4 | Confident | 79.9 | Confident | 6 Ų | 6 | 10.7 Ų | 10.7 | 4% | 0.036 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.6 | -47.8 | -176.9 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | N544 V550 I583 E618 V619 I622 Y630 | N544-V546 PolarHBondContact O-N 3.36Å; V546-V550 VanDerWaalsContact O-CG2 3.23Å; V546-V550 WeakPolarHBondContact O-CG2 3.19Å; V546-V550 PolarHBondContact O-N 3.27Å; V546-V550 VanDerWaalsContact O-N 3.17Å; V546-I583 HydrophobicContact CG2-CD1 3.98Å; V546-E618 HydrophobicContact CG2-CB 4.07Å; V546-V619 HydrophobicContact CG1-CG2 4.31Å; V546-I622 HydrophobicContact CG1-CD1 3.3Å; V546-I622 HydrophobicContact CG1-CG1 3.69Å; V546-Y630 HydrophobicContact CG1-CE1 4.03Å |
| 547 | R | 77.4 | Confident | 79.2 | Confident | 34 Ų | 34 | 10 Ų | 10 | 13% | 0.128 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -66.2 | -40.8 | 179.9 | -170 | 178.5 | 176.3 | 172.1 | 7.6 | 112.7 | F496 N544 E551 I633 | F496-R547 HydrophobicContact CD1-CG 4.48Å; F496-R547 HydrophobicContact CE1-CB 4.05Å; F496-R547 VanDerWaalsContact CE1-CD 3.48Å; F496-R547 HydrophobicContact CE1-CG 3.71Å; F496-R547 HydrophobicContact CZ-CB 4.39Å; N544-R547 HydrophobicContact CB-CB 4.25Å; N544-R547 VanDerWaalsContact CG-CB 3.48Å; N544-R547 PolarHBondContact O-N 2.86Å; N544-R547 WeakPolarHBondContact OD1-CB 3.43Å; N544-R547 PolarHBondContact OD1-N 2.84Å; R547-E551 WeakPolarHBondContact O-CG 3.49Å; R547-E551 PolarHBondContact O-N 3.32Å; R547-I633 HydrophobicContact CB-CD1 4.35Å; R547-I633 HydrophobicContact CG-CD1 4.05Å; R547-I633 HydrophobicContact CG-CG2 4.24Å |
| 548 | F | 83.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.7 | -47.2 | 178.4 | 172.1 | -109.4 | 0 | 0 | 0 | 111.9 | F496 I500 C537 L540 L541 N544 P545 V550 E551 L552 L575 | F496-F548 HydrophobicContact CZ-CB 4.14Å; I500-F548 HydrophobicContact CD1-CD2 4.5Å; C537-F548 HydrophobicContact CB-CZ 3.94Å; L540-F548 HydrophobicContact CB-CD2 3.64Å; L540-F548 HydrophobicContact CB-CE2 3.95Å; L540-F548 HydrophobicContact CB-CG 4.05Å; L540-F548 HydrophobicContact CD1-CD2 3.99Å; L540-F548 HydrophobicContact CD1-CE2 3.83Å; L540-F548 HydrophobicContact CG-CD2 4.44Å; L541-F548 HydrophobicContact CB-CD1 4.02Å; L541-F548 HydrophobicContact CB-CE1 4.33Å; L541-F548 HydrophobicContact CD1-CD1 4.12Å; N544-F548 WeakPolarHBondContact O-CB 3.26Å; N544-F548 PolarHBondContact O-N 3.37Å; P545-F548 PolarHBondContact O-N 3.44Å; F548-V550 VanDerWaalsContact C-N 3.34Å; F548-V550 PolarHBondContact O-N 3.42Å; F548-E551 PolarHBondContact O-N 3.45Å; F548-L552 HydrophobicContact CE1-CD2 4.47Å; F548-L552 WeakPolarHBondContact O-CB 3.4Å; F548-L552 PolarHBondContact O-N 3.25Å; F548-L575 HydrophobicContact CE1-CD1 3.82Å; F548-L575 HydrophobicContact CZ-CD1 4.48Å |
| 549 | L | 83.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.2 | -38.6 | -178.6 | -71.4 | 171.9 | 0 | 0 | 0 | 112.2 | L541 P545 L552 I553 L572 F579 I615 V619 | L541-L549 HydrophobicContact CD1-CD1 4.08Å; L541-L549 HydrophobicContact CD1-CD2 4.18Å; L541-L549 HydrophobicContact CD1-CG 3.99Å; P545-L549 WeakPolarHBondContact O-CB 3.17Å; P545-L549 VanDerWaalsContact O-CG 3.26Å; P545-L549 WeakPolarHBondContact O-CG 3.41Å; P545-L549 PolarHBondContact O-N 2.89Å; L549-L552 PolarHBondContact O-N 2.91Å; L549-I553 VanDerWaalsContact O-CG1 3.26Å; L549-I553 WeakPolarHBondContact O-CG1 3.25Å; L549-I553 PolarHBondContact O-N 3.05Å; L549-L572 HydrophobicContact CD2-CD2 4.21Å; L549-F579 HydrophobicContact CD1-CD1 4.44Å; L549-F579 HydrophobicContact CD1-CE1 3.88Å; L549-F579 HydrophobicContact CD1-CE2 4.48Å; L549-F579 HydrophobicContact CD1-CZ 3.91Å; L549-F579 HydrophobicContact CD2-CE2 4.15Å; L549-F579 HydrophobicContact CD2-CZ 3.76Å; L549-F579 HydrophobicContact CG-CZ 4.39Å; L549-I615 HydrophobicContact CD1-CG2 3.41Å; L549-I615 VanDerWaalsContact CD1-CG2 3.41Å; L549-V619 HydrophobicContact CB-CG2 3.91Å; L549-V619 HydrophobicContact CD1-CG2 3.92Å |
| 550 | V | 76.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.6 | -49.7 | 174.7 | 170.5 | 0 | 0 | 0 | 0 | 112 | V546 F548 L552 I553 R554 V619 I622 I633 L635 | V546-V550 VanDerWaalsContact O-CG2 3.23Å; V546-V550 WeakPolarHBondContact O-CG2 3.19Å; V546-V550 PolarHBondContact O-N 3.27Å; V546-V550 VanDerWaalsContact O-N 3.17Å; F548-V550 VanDerWaalsContact C-N 3.34Å; F548-V550 PolarHBondContact O-N 3.42Å; V550-L552 PolarHBondContact O-N 2.91Å; V550-I553 PolarHBondContact O-N 3.48Å; V550-R554 HydrophobicContact CG1-CG 4.42Å; V550-R554 WeakPolarHBondContact O-CG 3.49Å; V550-R554 PolarHBondContact O-N 3.47Å; V550-V619 HydrophobicContact CG2-CG1 4.41Å; V550-I622 HydrophobicContact CB-CD1 4.48Å; V550-I622 HydrophobicContact CG2-CD1 3.09Å; V550-I633 HydrophobicContact CB-CG2 3.95Å; V550-I633 HydrophobicContact CG1-CG2 3.81Å; V550-I633 WeakPolarHBondContact CG1-O 3.19Å; V550-I633 HydrophobicContact CG2-CG2 4.07Å; V550-L635 HydrophobicContact CG1-CG 4.3Å; V550-L635 HydrophobicContact CG2-CD1 4.21Å; V550-L635 HydrophobicContact CG2-CG 4.35Å |
| 551 | E | 75.5 | Confident | 75.8 | Confident | 45 Ų | 45 | 28.3 Ų | 28.3 | 21% | 0.21 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.9 | -34.9 | 179.2 | -73.6 | -66.7 | 165.2 | 0 | 0 | 111 | I500 F504 R547 F548 L555 | I500-E551 HydrophobicContact CD1-CB 4.33Å; I500-E551 HydrophobicContact CD1-CG 4.26Å; I500-E551 HydrophobicContact CG2-CB 4.4Å; F504-E551 HydrophobicContact CE2-CB 3.83Å; F504-E551 VanDerWaalsContact CE2-O 3.31Å; F504-E551 WeakPolarHBondContact CE2-O 3.45Å; F504-E551 VanDerWaalsContact CZ-C 3.44Å; F504-E551 HydrophobicContact CZ-CB 3.83Å; F504-E551 WeakPolarHBondContact CZ-O 3.29Å; R547-E551 WeakPolarHBondContact O-CG 3.49Å; R547-E551 PolarHBondContact O-N 3.32Å; F548-E551 PolarHBondContact O-N 3.45Å; E551-L555 PolarHBondContact O-N 3.44Å; E551-L555 VanDerWaalsContact O-N 3.11Å |
| 552 | L | 82.7 | Confident | 74.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.3 | -45 | 175.5 | -179.2 | 64.6 | 0 | 0 | 0 | 112 | F504 F548 L549 V550 R554 L555 V568 L571 L572 L575 | F504-L552 HydrophobicContact CE1-CD1 4.21Å; F504-L552 HydrophobicContact CZ-CB 4.41Å; F548-L552 HydrophobicContact CE1-CD2 4.47Å; F548-L552 WeakPolarHBondContact O-CB 3.4Å; F548-L552 PolarHBondContact O-N 3.25Å; L549-L552 PolarHBondContact O-N 2.91Å; V550-L552 PolarHBondContact O-N 2.91Å; L552-R554 VanDerWaalsContact C-N 3.32Å; L552-R554 PolarHBondContact O-N 2.86Å; L552-L555 VanDerWaalsContact O-CB 3.31Å; L552-L555 WeakPolarHBondContact O-CB 3.49Å; L552-L555 PolarHBondContact O-N 3.32Å; L552-V568 HydrophobicContact CD1-CG1 4.42Å; L552-V568 HydrophobicContact CD1-CG2 4.17Å; L552-V568 HydrophobicContact CG-CG1 4.18Å; L552-L571 HydrophobicContact CD1-CD2 3.67Å; L552-L571 HydrophobicContact CD2-CD2 3.78Å; L552-L571 HydrophobicContact CD2-CG 4.34Å; L552-L571 HydrophobicContact CG-CD2 4.39Å; L552-L572 HydrophobicContact CD2-CD2 3.86Å; L552-L572 HydrophobicContact CD2-CG 4.22Å; L552-L575 HydrophobicContact CD2-CD1 4.47Å |
| 553 | I | 78.6 | Confident | 73.9 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.7 | -36.1 | 177.8 | -66.6 | 163.4 | 0 | 0 | 0 | 111 | L549 V550 L555 P556 V619 L635 L692 T695 L699 | L549-I553 VanDerWaalsContact O-CG1 3.26Å; L549-I553 WeakPolarHBondContact O-CG1 3.25Å; L549-I553 PolarHBondContact O-N 3.05Å; V550-I553 PolarHBondContact O-N 3.48Å; I553-L555 VanDerWaalsContact C-N 3.33Å; I553-P556 WeakPolarHBondContact O-CD 3.21Å; I553-V619 HydrophobicContact CD1-CG1 3.93Å; I553-L635 HydrophobicContact CB-CD2 4Å; I553-L635 HydrophobicContact CD1-CD2 4.15Å; I553-L635 HydrophobicContact CG2-CD2 3.49Å; I553-L635 VanDerWaalsContact CG2-CD2 3.49Å; I553-L692 HydrophobicContact CG2-CG 4.3Å; I553-T695 HydrophobicContact CG1-CG2 4.12Å; I553-T695 HydrophobicContact CG2-CG2 4.05Å; I553-L699 HydrophobicContact CD1-CD1 4.12Å |
| 554 | R | 74.6 | Confident | 73.6 | Confident | 29 Ų | 29 | 39.2 Ų | 39.2 | 11% | 0.109 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -77.9 | -13.7 | 177.1 | -66.2 | -161.3 | -140.9 | 161.4 | 15.3 | 114.3 | V550 L552 P556 V557 N558 I633 S634 L692 | V550-R554 HydrophobicContact CG1-CG 4.42Å; V550-R554 WeakPolarHBondContact O-CG 3.49Å; V550-R554 PolarHBondContact O-N 3.47Å; L552-R554 VanDerWaalsContact C-N 3.32Å; L552-R554 PolarHBondContact O-N 2.86Å; R554-P556 VanDerWaalsContact C-CD 3.49Å; R554-V557 WeakPolarHBondContact O-CB 3.36Å; R554-V557 PolarHBondContact O-N 3.05Å; R554-V557 VanDerWaalsContact O-N 3.08Å; R554-N558 WeakPolarHBondContact CB-ND2 3.38Å; R554-N558 WeakPolarHBondContact O-CB 3.43Å; R554-N558 PolarHBondContact O-N 3.19Å; R554-I633 VanDerWaalsContact NH2-CA 3.34Å; R554-I633 PolarHBondContact NH2-O 3.29Å; R554-S634 VanDerWaalsContact CZ-C 3.43Å; R554-S634 PolarHBondContact NE-O 2.93Å; R554-S634 PolarHBondContact NH1-O 3.3Å; R554-S634 PolarHBondContact NH2-O 2.93Å; R554-L692 HydrophobicContact CG-CD1 4.36Å |
| 555 | L | 75.8 | Confident | 73.4 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -52.1 | -47.8 | -174.6 | 177.9 | 65.1 | 0 | 0 | 0 | 113.8 | F504 L507 E551 L552 I553 V557 R559 V568 | F504-L555 HydrophobicContact CB-CD1 3.78Å; F504-L555 HydrophobicContact CD1-CD1 4.39Å; F504-L555 HydrophobicContact CD1-CD2 4.05Å; F504-L555 HydrophobicContact CD2-CD1 3.6Å; F504-L555 HydrophobicContact CD2-CG 4.49Å; F504-L555 HydrophobicContact CE1-CD2 4.41Å; F504-L555 HydrophobicContact CE2-CB 4.42Å; F504-L555 HydrophobicContact CE2-CD1 4.19Å; F504-L555 HydrophobicContact CG-CD1 3.7Å; F504-L555 HydrophobicContact CG-CD2 4.17Å; F504-L555 HydrophobicContact CG-CG 4.48Å; L507-L555 HydrophobicContact CB-CD2 4.31Å; L507-L555 HydrophobicContact CD1-CD2 3.71Å; E551-L555 PolarHBondContact O-N 3.44Å; E551-L555 VanDerWaalsContact O-N 3.11Å; L552-L555 VanDerWaalsContact O-CB 3.31Å; L552-L555 WeakPolarHBondContact O-CB 3.49Å; L552-L555 PolarHBondContact O-N 3.32Å; I553-L555 VanDerWaalsContact C-N 3.33Å; L555-V557 PolarHBondContact O-N 3.05Å; L555-R559 HydrophobicContact CD1-CG 3.86Å; L555-R559 PolarHBondContact O-N 3.22Å; L555-R559 VanDerWaalsContact O-N 3.16Å; L555-V568 HydrophobicContact CD2-CG2 4.25Å |
| 556 | P | 70.8 | Confident | 73.1 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.013 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.3 | -33.7 | -179.3 | -21.2 | 34.6 | 0 | 0 | 0 | 112.8 | I553 R554 K560 C561 S564 L565 V568 P691 | I553-P556 WeakPolarHBondContact O-CD 3.21Å; R554-P556 VanDerWaalsContact C-CD 3.49Å; P556-K560 PolarHBondContact O-N 3.32Å; P556-C561 PolarHBondContact O-N 3.17Å; P556-C561 VanDerWaalsContact O-N 3.09Å; P556-S564 WeakPolarHBondContact CA-OG 3.14Å; P556-L565 HydrophobicContact CG-CD1 4.32Å; P556-V568 HydrophobicContact CG-CG2 4Å; P556-P691 HydrophobicContact CB-CB 4.12Å; P556-P691 HydrophobicContact CB-CG 4.5Å |
| 557 | V | 67.2 | Low | 72.9 | Confident | 21 Ų | 21 | 42 Ų | 42 | 13% | 0.127 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.1 | -58 | 177.7 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | R554 L555 R559 K560 L650 P691 L692 | R554-V557 WeakPolarHBondContact O-CB 3.36Å; R554-V557 PolarHBondContact O-N 3.05Å; R554-V557 VanDerWaalsContact O-N 3.08Å; L555-V557 PolarHBondContact O-N 3.05Å; V557-R559 PolarHBondContact O-N 2.74Å; V557-R559 VanDerWaalsContact O-N 3.13Å; V557-K560 PolarHBondContact O-N 3.31Å; V557-L650 HydrophobicContact CG1-CD1 3.39Å; V557-L650 HydrophobicContact CG1-CD2 3.39Å; V557-L650 HydrophobicContact CG1-CG 3.88Å; V557-L650 HydrophobicContact CG2-CD2 4.41Å; V557-P691 HydrophobicContact CG2-CG 3.8Å; V557-L692 HydrophobicContact CG2-CB 3.92Å; V557-L692 HydrophobicContact CG2-CD1 4.45Å |
| 558 | N | 67.8 | Low | 73.1 | Confident | 89 Ų | 89 | 40.5 Ų | 40.5 | 48% | 0.476 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.2 | -31.1 | -173.6 | -75.2 | -7.5 | 0 | 0 | 0 | 112.4 | R554 | R554-N558 WeakPolarHBondContact CB-ND2 3.38Å; R554-N558 WeakPolarHBondContact O-CB 3.43Å; R554-N558 PolarHBondContact O-N 3.19Å |
| 559 | R | 65.4 | Low | 73 | Confident | 108 Ų | 108 | 41.6 Ų | 41.6 | 41% | 0.408 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -0.2 | -179.6 | -65.6 | -63.2 | -169.7 | 137.2 | 11.8 | 114.1 | N505 V508 L555 V557 C561 | N505-R559 PolarHBondContact OD1-NH2 2.82Å; V508-R559 HydrophobicContact CG2-CG 4.47Å; L555-R559 HydrophobicContact CD1-CG 3.86Å; L555-R559 PolarHBondContact O-N 3.22Å; L555-R559 VanDerWaalsContact O-N 3.16Å; V557-R559 PolarHBondContact O-N 2.74Å; V557-R559 VanDerWaalsContact O-N 3.13Å; R559-C561 HydrophobicContact CB-CB 4.45Å; R559-C561 PolarHBondContact O-N 3.15Å; R559-C561 PolarHBondContact O-SG 3.22Å |
| 560 | K | 63.7 | Low | 72.8 | Confident | 159 Ų | 159 | 44.6 Ų | 44.6 | 69% | 0.691 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 39.4 | -174.5 | -60.4 | -178.7 | 178.5 | -179.5 | 0 | 112.2 | P556 V557 P562 | P556-K560 PolarHBondContact O-N 3.32Å; V557-K560 PolarHBondContact O-N 3.31Å; K560-P562 VanDerWaalsContact O-CD 3.32Å; K560-P562 WeakPolarHBondContact O-CD 3.34Å |
| 561 | C | 66.3 | Low | 73 | Confident | 41 Ų | 41 | 44.6 Ų | 44.6 | 28% | 0.277 | 22% | 0.223 | S | C | . | . | trans | -119.3 | 77.7 | -178.2 | -68.3 | 0 | 0 | 0 | 0 | 109.8 | P556 R559 H563 S564 | P556-C561 PolarHBondContact O-N 3.17Å; P556-C561 VanDerWaalsContact O-N 3.09Å; R559-C561 HydrophobicContact CB-CB 4.45Å; R559-C561 PolarHBondContact O-N 3.15Å; R559-C561 PolarHBondContact O-SG 3.22Å; C561-H563 PolarHBondContact O-N 3.28Å; C561-H563 VanDerWaalsContact O-N 3.15Å; C561-S564 WeakPolarHBondContact O-CB 3.41Å; C561-S564 PolarHBondContact O-N 3.02Å; C561-S564 PolarHBondContact O-OG 3.38Å | ||
| 562 | P | 63.3 | Low | 73.4 | Confident | 81 Ų | 81 | 42.4 Ų | 42.4 | 53% | 0.526 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -28.2 | -178.9 | 20.7 | -30.8 | 0 | 0 | 0 | 113 | K560 S564 L565 | K560-P562 VanDerWaalsContact O-CD 3.32Å; K560-P562 WeakPolarHBondContact O-CD 3.34Å; P562-S564 PolarHBondContact O-N 3.5Å; P562-S564 VanDerWaalsContact O-N 3.14Å; P562-L565 WeakPolarHBondContact O-CB 3.22Å; P562-L565 PolarHBondContact O-N 3.5Å |
| 563 | H | 65.7 | Low | 73.4 | Confident | 152 Ų | 152 | 45.7 Ų | 45.7 | 70% | 0.704 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20 | 173.1 | -59.3 | 89.6 | 0 | 0 | 0 | 114.1 | C561 L565 | C561-H563 PolarHBondContact O-N 3.28Å; C561-H563 VanDerWaalsContact O-N 3.15Å; H563-L565 VanDerWaalsContact C-N 3.26Å; H563-L565 PolarHBondContact O-N 2.88Å |
| 564 | S | 71.8 | Confident | 73.4 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -75.9 | -13.6 | 174.3 | 68 | 0 | 0 | 0 | 0 | 113.3 | P556 C561 P562 T566 A567 V568 | P556-S564 WeakPolarHBondContact CA-OG 3.14Å; C561-S564 WeakPolarHBondContact O-CB 3.41Å; C561-S564 PolarHBondContact O-N 3.02Å; C561-S564 PolarHBondContact O-OG 3.38Å; P562-S564 PolarHBondContact O-N 3.5Å; P562-S564 VanDerWaalsContact O-N 3.14Å; S564-T566 VanDerWaalsContact C-N 3.33Å; S564-T566 PolarHBondContact O-N 2.83Å; S564-A567 PolarHBondContact O-N 3Å; S564-A567 VanDerWaalsContact O-N 3.14Å; S564-V568 WeakPolarHBondContact O-CG2 3.42Å; S564-V568 PolarHBondContact O-N 2.9Å |
| 565 | L | 73.6 | Confident | 73.8 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.8 | -44.9 | -179.5 | -174.9 | 68.6 | 0 | 0 | 0 | 111.8 | P556 P562 H563 A567 V568 H569 P691 N694 T695 | P556-L565 HydrophobicContact CG-CD1 4.32Å; P562-L565 WeakPolarHBondContact O-CB 3.22Å; P562-L565 PolarHBondContact O-N 3.5Å; H563-L565 VanDerWaalsContact C-N 3.26Å; H563-L565 PolarHBondContact O-N 2.88Å; L565-A567 VanDerWaalsContact C-N 3.33Å; L565-A567 PolarHBondContact O-N 3.15Å; L565-V568 PolarHBondContact O-N 3.27Å; L565-H569 WeakPolarHBondContact CD1-NE2 3.32Å; L565-H569 PolarHBondContact O-CD2 3.44Å; L565-H569 PolarHBondContact O-N 3.02Å; L565-P691 HydrophobicContact CD1-CB 4.1Å; L565-N694 HydrophobicContact CD2-CB 4.48Å; L565-T695 WeakPolarHBondContact CD1-OG1 3.38Å |
| 566 | T | 73.4 | Confident | 74.2 | Confident | 83 Ų | 83 | 49.4 Ų | 49.4 | 51% | 0.509 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 178.4 | -49.4 | 0 | 0 | 0 | 0 | 111.8 | S564 H569 Q570 | S564-T566 VanDerWaalsContact C-N 3.33Å; S564-T566 PolarHBondContact O-N 2.83Å; T566-H569 PolarHBondContact O-N 3.29Å; T566-Q570 WeakPolarHBondContact O-CG 3.32Å; T566-Q570 PolarHBondContact O-N 3.04Å |
| 567 | A | 72.9 | Confident | 74.6 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 5% | 0.05 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68 | -39 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L507 F529 S564 L565 Q570 L571 | L507-A567 HydrophobicContact CD2-CB 4.42Å; F529-A567 HydrophobicContact CZ-CB 4.48Å; F529-A567 WeakPolarHBondContact CZ-O 3.24Å; S564-A567 PolarHBondContact O-N 3Å; S564-A567 VanDerWaalsContact O-N 3.14Å; L565-A567 VanDerWaalsContact C-N 3.33Å; L565-A567 PolarHBondContact O-N 3.15Å; A567-Q570 PolarHBondContact O-N 3.3Å; A567-L571 WeakPolarHBondContact O-CB 3.49Å; A567-L571 PolarHBondContact O-N 2.86Å |
| 568 | V | 81 | Confident | 75.3 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.4 | -45 | 174.4 | 170.7 | 0 | 0 | 0 | 0 | 111 | L552 L555 P556 S564 L565 Q570 L571 L572 | L552-V568 HydrophobicContact CD1-CG1 4.42Å; L552-V568 HydrophobicContact CD1-CG2 4.17Å; L552-V568 HydrophobicContact CG-CG1 4.18Å; L555-V568 HydrophobicContact CD2-CG2 4.25Å; P556-V568 HydrophobicContact CG-CG2 4Å; S564-V568 WeakPolarHBondContact O-CG2 3.42Å; S564-V568 PolarHBondContact O-N 2.9Å; L565-V568 PolarHBondContact O-N 3.27Å; V568-Q570 PolarHBondContact O-N 3.47Å; V568-L571 PolarHBondContact O-N 3.3Å; V568-L572 HydrophobicContact CG1-CD1 3.84Å; V568-L572 HydrophobicContact CG1-CG 4.31Å; V568-L572 WeakPolarHBondContact O-CB 3.25Å; V568-L572 VanDerWaalsContact O-CG 3.29Å; V568-L572 WeakPolarHBondContact O-CG 3.37Å; V568-L572 PolarHBondContact O-N 3.41Å |
| 569 | H | 82.1 | Confident | 75.8 | Confident | 24 Ų | 24 | 45.1 Ų | 45.1 | 11% | 0.111 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 176.8 | -72.3 | -176.1 | 0 | 0 | 0 | 112.2 | L565 T566 L571 L572 D573 Y698 | L565-H569 WeakPolarHBondContact CD1-NE2 3.32Å; L565-H569 PolarHBondContact O-CD2 3.44Å; L565-H569 PolarHBondContact O-N 3.02Å; T566-H569 PolarHBondContact O-N 3.29Å; H569-L571 VanDerWaalsContact C-N 3.34Å; H569-L571 PolarHBondContact O-N 3.48Å; H569-L572 PolarHBondContact O-N 3.05Å; H569-D573 PolarHBondContact O-N 3.45Å; H569-Y698 HydrophobicContact CB-CD1 4.22Å; H569-Y698 HydrophobicContact CB-CE1 3.76Å; H569-Y698 HydrophobicContact CB-CE2 4.44Å; H569-Y698 AromaticContact CD2-CD1 3.84Å; H569-Y698 AromaticContact CE1-CG 3.77Å; H569-Y698 AromaticContact CG-CD1 3.82Å; H569-Y698 AromaticContact CG-CE1 3.88Å; H569-Y698 AromaticContact ND1-CD2 3.79Å; H569-Y698 AromaticContact ND1-CG 3.81Å; H569-Y698 AromaticContact NE2-CG 3.98Å |
| 570 | Q | 79.1 | Confident | 76.3 | Confident | 62 Ų | 62 | 44.1 Ų | 44.1 | 29% | 0.29 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65 | -36.8 | 176.9 | -72.9 | 176.5 | -10.2 | 0 | 0 | 112.6 | F529 T566 A567 V568 D573 Q574 | F529-Q570 HydrophobicContact CE2-CB 3.82Å; F529-Q570 HydrophobicContact CZ-CB 3.92Å; T566-Q570 WeakPolarHBondContact O-CG 3.32Å; T566-Q570 PolarHBondContact O-N 3.04Å; A567-Q570 PolarHBondContact O-N 3.3Å; V568-Q570 PolarHBondContact O-N 3.47Å; Q570-D573 PolarHBondContact O-N 3.23Å; Q570-Q574 PolarHBondContact O-N 2.79Å |
| 571 | L | 82.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.5 | -41.3 | 174.9 | -171.9 | 67 | 0 | 0 | 0 | 111.7 | F529 F533 C537 L552 A567 V568 H569 D573 Q574 L575 | F529-L571 HydrophobicContact CD1-CD1 4.09Å; F529-L571 HydrophobicContact CE1-CB 3.94Å; F529-L571 HydrophobicContact CE1-CD1 3.9Å; F529-L571 HydrophobicContact CE1-CG 4.44Å; F529-L571 HydrophobicContact CZ-CB 4.35Å; F533-L571 HydrophobicContact CE1-CD1 4.12Å; F533-L571 HydrophobicContact CE1-CD2 4.36Å; C537-L571 HydrophobicContact CB-CD1 4.41Å; L552-L571 HydrophobicContact CD1-CD2 3.67Å; L552-L571 HydrophobicContact CD2-CD2 3.78Å; L552-L571 HydrophobicContact CD2-CG 4.34Å; L552-L571 HydrophobicContact CG-CD2 4.39Å; A567-L571 WeakPolarHBondContact O-CB 3.49Å; A567-L571 PolarHBondContact O-N 2.86Å; V568-L571 PolarHBondContact O-N 3.3Å; H569-L571 VanDerWaalsContact C-N 3.34Å; H569-L571 PolarHBondContact O-N 3.48Å; L571-D573 VanDerWaalsContact C-N 3.27Å; L571-D573 PolarHBondContact O-N 2.89Å; L571-Q574 PolarHBondContact O-N 3.39Å; L571-Q574 VanDerWaalsContact O-N 3.14Å; L571-L575 HydrophobicContact CG-CD1 4.11Å; L571-L575 WeakPolarHBondContact O-CG 3.49Å; L571-L575 PolarHBondContact O-N 2.94Å; L571-L575 VanDerWaalsContact O-N 3.09Å |
| 572 | L | 83.8 | Confident | 76.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.8 | -36.6 | 175.6 | -73.7 | 170.1 | 0 | 0 | 0 | 111.7 | L549 L552 V568 H569 Q574 L575 L576 F579 T695 L699 | L549-L572 HydrophobicContact CD2-CD2 4.21Å; L552-L572 HydrophobicContact CD2-CD2 3.86Å; L552-L572 HydrophobicContact CD2-CG 4.22Å; V568-L572 HydrophobicContact CG1-CD1 3.84Å; V568-L572 HydrophobicContact CG1-CG 4.31Å; V568-L572 WeakPolarHBondContact O-CB 3.25Å; V568-L572 VanDerWaalsContact O-CG 3.29Å; V568-L572 WeakPolarHBondContact O-CG 3.37Å; V568-L572 PolarHBondContact O-N 3.41Å; H569-L572 PolarHBondContact O-N 3.05Å; L572-Q574 VanDerWaalsContact C-N 3.3Å; L572-Q574 PolarHBondContact O-N 3.48Å; L572-L575 CarbonylContact O-C 3.59Å; L572-L575 PolarHBondContact O-N 3.25Å; L572-L575 VanDerWaalsContact O-N 3.15Å; L572-L576 PolarHBondContact O-N 3.18Å; L572-F579 HydrophobicContact CD2-CE2 4.15Å; L572-F579 HydrophobicContact CD2-CZ 3.89Å; L572-T695 HydrophobicContact CD1-CG2 3.63Å; L572-L699 HydrophobicContact CB-CD2 4.33Å; L572-L699 HydrophobicContact CD1-CD1 4.49Å; L572-L699 HydrophobicContact CD1-CD2 4.13Å; L572-L699 HydrophobicContact CD1-CG 4.39Å; L572-L699 HydrophobicContact CD2-CD2 4.45Å |
| 573 | D | 81.5 | Confident | 76.8 | Confident | 68 Ų | 68 | 33.5 Ų | 33.5 | 36% | 0.364 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.6 | -37.4 | 173.3 | -87.9 | -9.1 | 0 | 0 | 0 | 112.7 | H569 Q570 L571 L575 Y698 K702 | H569-D573 PolarHBondContact O-N 3.45Å; Q570-D573 PolarHBondContact O-N 3.23Å; L571-D573 VanDerWaalsContact C-N 3.27Å; L571-D573 PolarHBondContact O-N 2.89Å; D573-L575 VanDerWaalsContact C-N 3.33Å; D573-Y698 PolarHBondContact OD1-OH 3.39Å; D573-Y698 PolarHBondContact OD2-OH 3.4Å; D573-K702 WeakPolarHBondContact OD1-CE 3.38Å; D573-K702 IonicContact OD1-NZ 2.57Å; D573-K702 PolarHBondContact OD1-NZ 2.79Å; D573-K702 IonicContact OD2-NZ 2.72Å; D573-K702 PolarHBondContact OD2-NZ 3.36Å |
| 574 | Q | 79.4 | Confident | 76.4 | Confident | 82 Ų | 82 | 27.8 Ų | 27.8 | 38% | 0.383 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -72.8 | -26.5 | 175.7 | -67.8 | 176.5 | -21.8 | 0 | 0 | 112.9 | L534 Q570 L571 L572 Y577 | L534-Q574 HydrophobicContact CD1-CB 3.92Å; L534-Q574 VanDerWaalsContact CD1-CD 3.49Å; L534-Q574 HydrophobicContact CD1-CG 4.21Å; Q570-Q574 PolarHBondContact O-N 2.79Å; L571-Q574 PolarHBondContact O-N 3.39Å; L571-Q574 VanDerWaalsContact O-N 3.14Å; L572-Q574 VanDerWaalsContact C-N 3.3Å; L572-Q574 PolarHBondContact O-N 3.48Å; Q574-Y577 WeakPolarHBondContact O-CD1 3.32Å; Q574-Y577 WeakPolarHBondContact O-CE1 3.5Å |
| 575 | L | 83.5 | Confident | 75.5 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -98.2 | 3.8 | -179.1 | -60.6 | 177.1 | 0 | 0 | 0 | 113.6 | E538 L541 F548 L552 L571 L572 D573 Y577 A578 | E538-L575 HydrophobicContact CG-CD2 4.25Å; L541-L575 HydrophobicContact CD2-CD2 4.22Å; F548-L575 HydrophobicContact CE1-CD1 3.82Å; F548-L575 HydrophobicContact CZ-CD1 4.48Å; L552-L575 HydrophobicContact CD2-CD1 4.47Å; L571-L575 HydrophobicContact CG-CD1 4.11Å; L571-L575 WeakPolarHBondContact O-CG 3.49Å; L571-L575 PolarHBondContact O-N 2.94Å; L571-L575 VanDerWaalsContact O-N 3.09Å; L572-L575 CarbonylContact O-C 3.59Å; L572-L575 PolarHBondContact O-N 3.25Å; L572-L575 VanDerWaalsContact O-N 3.15Å; D573-L575 VanDerWaalsContact C-N 3.33Å; L575-Y577 HydrophobicContact CD2-CE1 4.48Å; L575-Y577 PolarHBondContact O-N 3.33Å; L575-A578 WeakPolarHBondContact O-CB 3.39Å; L575-A578 PolarHBondContact O-N 2.91Å |
| 576 | L | 82.9 | Confident | 73.8 | Confident | 29 Ų | 29 | 33.3 Ų | 33.3 | 15% | 0.152 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -54.8 | -32.6 | -173.8 | -162.6 | 104.4 | 0 | 0 | 0 | 112.9 | L572 A578 F579 K702 N704 | L572-L576 PolarHBondContact O-N 3.18Å; L576-A578 PolarHBondContact O-N 3.18Å; L576-A578 VanDerWaalsContact O-N 3.14Å; L576-F579 PolarHBondContact O-N 2.95Å; L576-K702 HydrophobicContact CD1-CB 3.76Å; L576-K702 HydrophobicContact CD1-CD 4.17Å; L576-K702 HydrophobicContact CD1-CG 3.65Å; L576-N704 HydrophobicContact CD2-CB 4.13Å |
| 577 | Y | 81 | Confident | 71.9 | Confident | 23 Ų | 23 | 33.7 Ų | 33.7 | 9% | 0.09 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -58.4 | -26.9 | -179.7 | 70.3 | -95.2 | 0 | 0 | 0 | 113.9 | I466 K469 C470 E538 Q574 L575 | I466-Y577 VanDerWaalsContact CG2-CB 3.43Å; I466-Y577 HydrophobicContact CG2-CD1 4.32Å; I466-Y577 HydrophobicContact CG2-CD2 4.33Å; I466-Y577 HydrophobicContact CG2-CG 3.8Å; K469-Y577 HydrophobicContact CB-CD2 4.35Å; K469-Y577 HydrophobicContact CB-CE2 3.74Å; K469-Y577 HydrophobicContact CD-CE2 4.37Å; C470-Y577 PolarHBondContact SG-O 3.2Å; E538-Y577 PolarHBondContact OE1-OH 3.07Å; E538-Y577 VanDerWaalsContact OE1-OH 3.11Å; Q574-Y577 WeakPolarHBondContact O-CD1 3.32Å; Q574-Y577 WeakPolarHBondContact O-CE1 3.5Å; L575-Y577 HydrophobicContact CD2-CE1 4.48Å; L575-Y577 PolarHBondContact O-N 3.33Å |
| 578 | A | 80.6 | Confident | 69.8 | Low | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -77.9 | -24.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L473 L541 L575 L576 E580 V581 I615 | L473-A578 HydrophobicContact CD2-CB 3.9Å; L541-A578 HydrophobicContact CD1-CB 4.31Å; L541-A578 HydrophobicContact CD2-CB 3.67Å; L541-A578 HydrophobicContact CG-CB 4.44Å; L575-A578 WeakPolarHBondContact O-CB 3.39Å; L575-A578 PolarHBondContact O-N 2.91Å; L576-A578 PolarHBondContact O-N 3.18Å; L576-A578 VanDerWaalsContact O-N 3.14Å; A578-E580 PolarHBondContact O-N 2.96Å; A578-V581 WeakPolarHBondContact O-CB 3.47Å; A578-V581 PolarHBondContact O-N 3.33Å; A578-V581 VanDerWaalsContact O-N 3.13Å; A578-I615 WeakPolarHBondContact O-CD1 3.05Å |
| 579 | F | 79.5 | Confident | 67.2 | Low | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -67.3 | -19 | -171.9 | -79.7 | -83.4 | 0 | 0 | 0 | 114.2 | L549 L572 L576 T614 F616 L699 Q708 | L549-F579 HydrophobicContact CD1-CD1 4.44Å; L549-F579 HydrophobicContact CD1-CE1 3.88Å; L549-F579 HydrophobicContact CD1-CE2 4.48Å; L549-F579 HydrophobicContact CD1-CZ 3.91Å; L549-F579 HydrophobicContact CD2-CE2 4.15Å; L549-F579 HydrophobicContact CD2-CZ 3.76Å; L549-F579 HydrophobicContact CG-CZ 4.39Å; L572-F579 HydrophobicContact CD2-CE2 4.15Å; L572-F579 HydrophobicContact CD2-CZ 3.89Å; L576-F579 PolarHBondContact O-N 2.95Å; F579-T614 WeakPolarHBondContact O-CB 3.34Å; F579-F616 HydrophobicContact CB-CB 4Å; F579-F616 HydrophobicContact CD1-CB 3.66Å; F579-F616 AromaticContact CD1-CD2 3.54Å; F579-F616 HydrophobicContact CD1-CD2 3.54Å; F579-F616 HydrophobicContact CD1-CG 4.03Å; F579-F616 AromaticContact CE1-CD2 3.9Å; F579-F616 HydrophobicContact CE1-CD2 3.9Å; F579-F616 HydrophobicContact CG-CB 4.32Å; F579-F616 HydrophobicContact CG-CD2 4.47Å; F579-F616 WeakPolarHBondContact O-CB 3.17Å; F579-F616 PolarHBondContact O-N 3.28Å; F579-L699 HydrophobicContact CE2-CD2 4.46Å; F579-L699 HydrophobicContact CZ-CD2 4.15Å; F579-Q708 PolarHBondContact O-NE2 2.99Å |
| 580 | E | 74.7 | Confident | 64.6 | Low | 87 Ų | 87 | 50.3 Ų | 50.3 | 41% | 0.407 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -93 | -6.7 | 177.4 | -64.6 | -176.6 | 153.1 | 0 | 0 | 113.7 | A578 N704 | A578-E580 PolarHBondContact O-N 2.96Å; E580-N704 HydrophobicContact CG-CB 4.08Å; E580-N704 WeakPolarHBondContact OE1-CA 3.42Å; E580-N704 WeakPolarHBondContact OE1-CB 3.35Å; E580-N704 PolarHBondContact OE1-ND2 3.02Å |
| 581 | V | 70.9 | Confident | 62.1 | Low | 6 Ų | 6 | 52.1 Ų | 52.1 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | trans | -72.7 | 128.3 | -175.5 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | C470 L473 T474 A578 T614 I615 | C470-V581 HydrophobicContact CB-CG2 4.15Å; L473-V581 HydrophobicContact CB-CG1 4.09Å; L473-V581 HydrophobicContact CB-CG2 4.38Å; L473-V581 HydrophobicContact CD2-CB 4.02Å; L473-V581 HydrophobicContact CD2-CG1 4.1Å; L473-V581 HydrophobicContact CD2-CG2 3.94Å; L473-V581 HydrophobicContact CG-CB 4.4Å; L473-V581 HydrophobicContact CG-CG1 3.92Å; L473-V581 HydrophobicContact CG-CG2 4.48Å; T474-V581 WeakPolarHBondContact OG1-CG1 3.2Å; A578-V581 WeakPolarHBondContact O-CB 3.47Å; A578-V581 PolarHBondContact O-N 3.33Å; A578-V581 VanDerWaalsContact O-N 3.13Å; V581-T614 WeakPolarHBondContact O-CA 3.37Å; V581-I615 HydrophobicContact CB-CD1 4.12Å; V581-I615 PolarHBondContact O-N 3.15Å; V581-I615 VanDerWaalsContact O-N 3.09Å | ||
| 582 | P | 69 | Low | 59.6 | Low | 50 Ų | 50 | 57.7 Ų | 57.7 | 33% | 0.325 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 138 | 177.8 | 28.4 | -33.7 | 0 | 0 | 0 | 111.6 | T474 H612 S613 | T474-P582 HydrophobicContact CG2-CG 4.32Å; P582-H612 HydrophobicContact CB-CB 3.98Å; P582-S613 CarbonylContact C-O 3.54Å |
| 583 | I | 65.1 | Low | 56.9 | Low | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136.5 | 173.9 | -55.4 | 171.9 | 0 | 0 | 0 | 109.8 | Q477 V546 F585 S613 I615 E618 | Q477-I583 HydrophobicContact CB-CG2 4.37Å; Q477-I583 HydrophobicContact CG-CG1 4.3Å; V546-I583 HydrophobicContact CG2-CD1 3.98Å; I583-F585 HydrophobicContact CB-CD2 4.49Å; I583-F585 HydrophobicContact CB-CE2 4.46Å; I583-F585 HydrophobicContact CD1-CE2 4.45Å; I583-F585 HydrophobicContact CG2-CD2 3.57Å; I583-F585 HydrophobicContact CG2-CE2 3.46Å; I583-F585 VanDerWaalsContact CG2-CE2 3.46Å; I583-F585 HydrophobicContact CG2-CG 4.45Å; I583-F585 HydrophobicContact CG2-CZ 4.26Å; I583-S613 PolarHBondContact N-O 3.34Å; I583-I615 HydrophobicContact CD1-CB 4.19Å; I583-I615 HydrophobicContact CD1-CD1 4.4Å; I583-I615 HydrophobicContact CD1-CG1 3.32Å; I583-I615 HydrophobicContact CG1-CG1 3.64Å; I583-E618 HydrophobicContact CD1-CG 4.26Å |
| 584 | N | 57 | Low | 54.3 | Low | 33 Ų | 33 | 68.3 Ų | 68.3 | 18% | 0.176 | 39% | 0.385 | C | S | . | . | trans | -101.5 | 100.7 | 170.3 | -90.7 | -4.4 | 0 | 0 | 0 | 111.1 | S586 V610 H612 | N584-S586 VanDerWaalsContact C-N 3.33Å; N584-S586 PolarHBondContact O-N 3.48Å; N584-V610 WeakPolarHBondContact OD1-CG1 3.34Å; N584-H612 PolarHBondContact OD1-CE1 3.43Å; N584-H612 PolarHBondContact OD1-ND1 3.03Å | ||
| 585 | F | 51.5 | Low | 51.9 | Low | 78 Ų | 78 | 69.2 Ų | 69.2 | 34% | 0.342 | 40% | 0.397 | S | S | . | . | trans | -91.2 | 66.8 | 164.2 | -80.7 | -75.6 | 0 | 0 | 0 | 111.1 | I583 T587 Y630 | I583-F585 HydrophobicContact CB-CD2 4.49Å; I583-F585 HydrophobicContact CB-CE2 4.46Å; I583-F585 HydrophobicContact CD1-CE2 4.45Å; I583-F585 HydrophobicContact CG2-CD2 3.57Å; I583-F585 HydrophobicContact CG2-CE2 3.46Å; I583-F585 VanDerWaalsContact CG2-CE2 3.46Å; I583-F585 HydrophobicContact CG2-CG 4.45Å; I583-F585 HydrophobicContact CG2-CZ 4.26Å; F585-T587 PolarHBondContact O-N 2.94Å; F585-T587 VanDerWaalsContact O-N 3.1Å; F585-Y630 VanDerWaalsContact CE2-OH 3.26Å; F585-Y630 WeakPolarHBondContact CE2-OH 3.43Å; F585-Y630 WeakPolarHBondContact CZ-OH 3.4Å | ||
| 586 | S | 39.1 | Very low | 49.2 | Very low | 66 Ų | 66 | 75.5 Ų | 75.5 | 46% | 0.462 | 43% | 0.43 | S | S | . | . | trans | -84.5 | 51.9 | 174.9 | 68.4 | 0 | 0 | 0 | 0 | 112.2 | S479 N584 | S479-S586 WeakPolarHBondContact CB-OG 3.32Å; S479-S586 PolarHBondContact OG-OG 2.94Å; N584-S586 VanDerWaalsContact C-N 3.33Å; N584-S586 PolarHBondContact O-N 3.48Å | ||
| 587 | T | 32.9 | Very low | 46.5 | Very low | 92 Ų | 92 | 81.7 Ų | 81.7 | 56% | 0.564 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -157.4 | 95.3 | 167.6 | 54 | 0 | 0 | 0 | 0 | 110 | R485 F585 | R485-T587 PolarHBondContact NH2-OG1 2.98Å; F585-T587 PolarHBondContact O-N 2.94Å; F585-T587 VanDerWaalsContact O-N 3.1Å |
| 588 | G | 28.5 | Very low | 44 | Very low | 77 Ų | 77 | 87 Ų | 87 | 79% | 0.794 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 141.9 | -20.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | K590 | G588-K590 PolarHBondContact O-N 3.46Å; G588-K590 VanDerWaalsContact O-N 3.17Å |
| 589 | T | 27.3 | Very low | 41.4 | Very low | 106 Ų | 106 | 96.4 Ų | 96.4 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | trans | -77.2 | 104.2 | 167.1 | 44.3 | 0 | 0 | 0 | 0 | 107.9 | S591 | T589-S591 PolarHBondContact O-N 2.93Š| ||
| 590 | K | 26.1 | Very low | 39 | Very low | 197 Ų | 197 | 106.6 Ų | 106.6 | 86% | 0.857 | 57% | 0.574 | S | S | * | * | trans | -45.7 | 126.5 | 142 | -79 | -179.7 | 175.6 | -178.8 | 0 | 105 | G588 L592 | G588-K590 PolarHBondContact O-N 3.46Å; G588-K590 VanDerWaalsContact O-N 3.17Å; K590-L592 PolarHBondContact O-N 3.24Å | ||
| 591 | S | 26.9 | Very low | 36.5 | Very low | 99 Ų | 99 | 109.4 Ų | 109.4 | 69% | 0.692 | 60% | 0.597 | S | S | * | * | trans | -27.7 | 132.7 | 162.7 | 45.4 | 0 | 0 | 0 | 0 | 109.7 | T589 | T589-S591 PolarHBondContact O-N 2.93Š| ||
| 592 | L | 30.9 | Very low | 34.4 | Very low | 118 Ų | 118 | 116.8 Ų | 116.8 | 62% | 0.618 | 63% | 0.633 | S | S | * | * | trans | -37.8 | 123.4 | 159.2 | -139.6 | 84.5 | 0 | 0 | 0 | 106.3 | K590 E594 | K590-L592 PolarHBondContact O-N 3.24Å; L592-E594 VanDerWaalsContact C-N 3.31Å; L592-E594 PolarHBondContact O-N 3.16Å | ||
| 593 | P | 27 | Very low | 32.2 | Very low | 100 Ų | 100 | 120.8 Ų | 120.8 | 65% | 0.649 | 66% | 0.656 | S | S | * | * | trans | -63.7 | 101.1 | -179.7 | 23.9 | -29.2 | 0 | 0 | 0 | 107.2 | T595 | P593-T595 PolarHBondContact O-N 3.42Š| ||
| 594 | E | 26.3 | Very low | 30.5 | Very low | 191 Ų | 191 | 128.1 Ų | 128.1 | 89% | 0.893 | 69% | 0.694 | S | S | * | * | trans | -64.4 | 84.8 | 157.6 | -75.7 | -177.5 | 167.8 | 0 | 0 | 106.2 | L592 | L592-E594 VanDerWaalsContact C-N 3.31Å; L592-E594 PolarHBondContact O-N 3.16Å | ||
| 595 | T | 29 | Very low | 29 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 62% | 0.62 | 72% | 0.72 | S | S | * | * | trans | -136.7 | 98.6 | 170.4 | 52.5 | 0 | 0 | 0 | 0 | 110.6 | P593 | P593-T595 PolarHBondContact O-N 3.42Š| ||
| 596 | N | 26.6 | Very low | 27.8 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | 77.2 | 93.7 | 130.1 | -53 | -16.6 | 0 | 0 | 0 | 118.6 | ||||
| 597 | H | 27.6 | Very low | 27.2 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | 163.2 | 117.7 | 98.9 | -93.8 | -69.9 | 0 | 0 | 0 | 112.5 | |||||
| 598 | D | 26.7 | Very low | 26.9 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 66.8 | 117.9 | 144.3 | -55.9 | -35.7 | 0 | 0 | 0 | 121.7 | ||||
| 599 | K | 27.6 | Very low | 27.1 | Very low | 196 Ų | 196 | 148.5 Ų | 148.5 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | 88.8 | 77.2 | 165.1 | -59.4 | 174.8 | 178 | 172.9 | 0 | 116.9 | ||||
| 600 | F | 27.9 | Very low | 27.3 | Very low | 215 Ų | 215 | 147.2 Ų | 147.2 | 94% | 0.943 | 77% | 0.771 | S | S | * | * | -168.1 | 100.8 | 123.9 | -105.4 | -75.5 | 0 | 0 | 0 | 108.6 | M602 | F600-M602 PolarHBondContact O-N 2.89Š| |||
| 601 | T | 22.8 | Very low | 28.1 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | trans | -71.8 | 102.4 | 172.8 | 24.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 602 | M | 26.9 | Very low | 29.3 | Very low | 161 Ų | 161 | 144.2 Ų | 144.2 | 79% | 0.793 | 76% | 0.758 | S | S | * | * | trans | -135.8 | 114 | 147.6 | -92.3 | -138.9 | 71.7 | 0 | 0 | 109.2 | F600 I604 | F600-M602 PolarHBondContact O-N 2.89Å; M602-I604 PolarHBondContact O-N 3.47Å; M602-I604 VanDerWaalsContact O-N 3.12Å | ||
| 603 | T | 23.6 | Very low | 30.8 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | -46.9 | 108.1 | 165.5 | 36.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 604 | I | 28.5 | Very low | 32.9 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 80% | 0.8 | 71% | 0.709 | S | S | * | * | trans | -110.5 | 112.2 | 159.7 | -59.6 | 176.9 | 0 | 0 | 0 | 106.4 | M602 | M602-I604 PolarHBondContact O-N 3.47Å; M602-I604 VanDerWaalsContact O-N 3.12Å | ||
| 605 | S | 26.2 | Very low | 35.1 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | trans | -56.7 | 143.5 | 177.3 | 43.1 | 0 | 0 | 0 | 0 | 112.2 | E607 | S605-E607 PolarHBondContact O-N 3Š| ||
| 606 | S | 25.7 | Very low | 37.5 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 85% | 0.846 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -56 | 87.9 | 175.6 | 53.4 | 0 | 0 | 0 | 0 | 114 | ||
| 607 | E | 26 | Very low | 39.7 | Very low | 176 Ų | 176 | 116.4 Ų | 116.4 | 82% | 0.822 | 61% | 0.608 | S | S | * | * | trans | -135.4 | 119.1 | 152.3 | -77.1 | -172.8 | 168.5 | 0 | 0 | 107.7 | S605 Q609 | S605-E607 PolarHBondContact O-N 3Å; E607-Q609 PolarHBondContact O-N 3.2Å | ||
| 608 | Q | 27.9 | Very low | 41.8 | Very low | 195 Ų | 195 | 109.2 Ų | 109.2 | 91% | 0.911 | 58% | 0.575 | S | S | * | * | trans | -56.6 | 100.2 | -176.8 | -67.4 | 165 | -30 | 0 | 0 | 111 | V610 | Q608-V610 PolarHBondContact O-N 2.95Š| ||
| 609 | Q | 31.1 | Very low | 44.1 | Very low | 180 Ų | 180 | 102.8 Ų | 102.8 | 84% | 0.841 | 54% | 0.54 | S | S | * | . | trans | -70.4 | 92.8 | 169.4 | -83.2 | -173.1 | -10.8 | 0 | 0 | 109.5 | E607 V611 | E607-Q609 PolarHBondContact O-N 3.2Å; Q609-V611 PolarHBondContact O-N 2.81Å | ||
| 610 | V | 32.9 | Very low | 46.2 | Very low | 79 Ų | 79 | 93.9 Ų | 93.9 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | trans | -63.1 | 102.5 | 160.1 | -179.9 | 0 | 0 | 0 | 0 | 106.5 | N584 Q608 H612 | N584-V610 WeakPolarHBondContact OD1-CG1 3.34Å; Q608-V610 PolarHBondContact O-N 2.95Å; V610-H612 PolarHBondContact O-N 3.28Å | ||
| 611 | V | 42.6 | Very low | 48.1 | Very low | 126 Ų | 126 | 84 Ų | 84 | 76% | 0.764 | 46% | 0.459 | S | S | * | . | trans | -70 | 103.7 | 174.9 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | Q609 S613 | Q609-V611 PolarHBondContact O-N 2.81Å; V611-S613 PolarHBondContact O-N 3.4Å | ||
| 612 | H | 51.8 | Low | 50.1 | Low | 108 Ų | 108 | 77.1 Ų | 77.1 | 50% | 0.5 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 120.4 | 171.5 | -69.3 | -71.8 | 0 | 0 | 0 | 109.4 | P582 N584 V610 | P582-H612 HydrophobicContact CB-CB 3.98Å; N584-H612 PolarHBondContact OD1-CE1 3.43Å; N584-H612 PolarHBondContact OD1-ND1 3.03Å; V610-H612 PolarHBondContact O-N 3.28Å |
| 613 | S | 62.2 | Low | 51.4 | Low | 16 Ų | 16 | 70.7 Ų | 70.7 | 11% | 0.112 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 144.4 | 166.1 | 53.1 | 0 | 0 | 0 | 0 | 109.8 | P582 I583 V611 Q617 E618 | P582-S613 CarbonylContact C-O 3.54Å; I583-S613 PolarHBondContact N-O 3.34Å; V611-S613 PolarHBondContact O-N 3.4Å; S613-Q617 VanDerWaalsContact CA-OE1 3.31Å; S613-E618 WeakPolarHBondContact CB-OE1 3.39Å; S613-E618 VanDerWaalsContact OG-CG 3.32Å; S613-E618 WeakPolarHBondContact OG-CG 3.34Å; S613-E618 PolarHBondContact OG-OE1 3.33Å |
| 614 | T | 71.3 | Confident | 53 | Low | 22 Ų | 22 | 65.3 Ų | 65.3 | 14% | 0.135 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 162.3 | 173.9 | 61.8 | 0 | 0 | 0 | 0 | 111 | F579 V581 F616 Q617 E618 Q708 | F579-T614 WeakPolarHBondContact O-CB 3.34Å; V581-T614 WeakPolarHBondContact O-CA 3.37Å; T614-F616 PolarHBondContact O-N 3.48Å; T614-Q617 PolarHBondContact O-N 3.28Å; T614-Q617 WeakPolarHBondContact OG1-CB 3.37Å; T614-Q617 WeakPolarHBondContact OG1-CG 3.39Å; T614-Q617 PolarHBondContact OG1-N 2.91Å; T614-E618 PolarHBondContact O-N 3.44Å; T614-Q708 PolarHBondContact OG1-OE1 3.4Å |
| 615 | I | 72.9 | Confident | 54.2 | Low | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54.3 | -41.7 | 170.7 | -70.6 | 172.4 | 0 | 0 | 0 | 111.7 | L473 P545 L549 A578 V581 I583 E618 V619 | L473-I615 HydrophobicContact CD2-CD1 3.41Å; L473-I615 VanDerWaalsContact CD2-CD1 3.41Å; L473-I615 HydrophobicContact CG-CD1 4.1Å; P545-I615 HydrophobicContact CB-CD1 3.79Å; P545-I615 HydrophobicContact CB-CG1 4.35Å; P545-I615 HydrophobicContact CB-CG2 4.37Å; P545-I615 HydrophobicContact CG-CD1 4.08Å; P545-I615 HydrophobicContact CG-CG1 4.47Å; L549-I615 HydrophobicContact CD1-CG2 3.41Å; L549-I615 VanDerWaalsContact CD1-CG2 3.41Å; A578-I615 WeakPolarHBondContact O-CD1 3.05Å; V581-I615 HydrophobicContact CB-CD1 4.12Å; V581-I615 PolarHBondContact O-N 3.15Å; V581-I615 VanDerWaalsContact O-N 3.09Å; I583-I615 HydrophobicContact CD1-CB 4.19Å; I583-I615 HydrophobicContact CD1-CD1 4.4Å; I583-I615 HydrophobicContact CD1-CG1 3.32Å; I583-I615 HydrophobicContact CG1-CG1 3.64Å; I615-E618 PolarHBondContact O-N 2.9Å; I615-V619 HydrophobicContact CG2-CG2 4.29Å; I615-V619 VanDerWaalsContact O-CG2 3.27Å; I615-V619 WeakPolarHBondContact O-CG2 3.37Å; I615-V619 PolarHBondContact O-N 3.01Å |
| 616 | F | 78.8 | Confident | 55.3 | Low | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.7 | -48.7 | 177.6 | -175.7 | -119.7 | 0 | 0 | 0 | 112.8 | F579 T614 E618 V619 I620 L699 F700 C705 Q708 I712 | F579-F616 HydrophobicContact CB-CB 4Å; F579-F616 HydrophobicContact CD1-CB 3.66Å; F579-F616 AromaticContact CD1-CD2 3.54Å; F579-F616 HydrophobicContact CD1-CD2 3.54Å; F579-F616 HydrophobicContact CD1-CG 4.03Å; F579-F616 AromaticContact CE1-CD2 3.9Å; F579-F616 HydrophobicContact CE1-CD2 3.9Å; F579-F616 HydrophobicContact CG-CB 4.32Å; F579-F616 HydrophobicContact CG-CD2 4.47Å; F579-F616 WeakPolarHBondContact O-CB 3.17Å; F579-F616 PolarHBondContact O-N 3.28Å; T614-F616 PolarHBondContact O-N 3.48Å; F616-E618 VanDerWaalsContact C-N 3.32Å; F616-E618 PolarHBondContact O-N 3.47Å; F616-V619 PolarHBondContact O-N 3.42Å; F616-I620 HydrophobicContact CD2-CG1 4.24Å; F616-I620 HydrophobicContact CE1-CG1 4.38Å; F616-I620 HydrophobicContact CE2-CD1 4.09Å; F616-I620 HydrophobicContact CE2-CG1 3.87Å; F616-I620 HydrophobicContact CZ-CD1 4.31Å; F616-I620 HydrophobicContact CZ-CG1 3.95Å; F616-I620 WeakPolarHBondContact O-CG1 3.34Å; F616-I620 PolarHBondContact O-N 2.98Å; F616-L699 HydrophobicContact CE2-CB 4.1Å; F616-L699 HydrophobicContact CE2-CD1 4.39Å; F616-F700 HydrophobicContact CE1-CD1 4.12Å; F616-F700 AromaticContact CE1-CE1 3.58Å; F616-F700 HydrophobicContact CE1-CE1 3.58Å; F616-F700 AromaticContact CE1-CZ 3.83Å; F616-F700 HydrophobicContact CE1-CZ 3.83Å; F616-F700 AromaticContact CZ-CD1 3.95Å; F616-F700 HydrophobicContact CZ-CD1 3.95Å; F616-F700 HydrophobicContact CZ-CD2 4.2Å; F616-F700 AromaticContact CZ-CE1 3.65Å; F616-F700 HydrophobicContact CZ-CE1 3.65Å; F616-F700 AromaticContact CZ-CE2 3.91Å; F616-F700 HydrophobicContact CZ-CE2 3.91Å; F616-F700 HydrophobicContact CZ-CG 4.21Å; F616-F700 AromaticContact CZ-CZ 3.63Å; F616-F700 HydrophobicContact CZ-CZ 3.63Å; F616-C705 HydrophobicContact CD1-CB 4.14Å; F616-C705 HydrophobicContact CD2-CB 4.39Å; F616-C705 HydrophobicContact CE1-CB 3.77Å; F616-C705 WeakPolarHBondContact CE1-O 3.48Å; F616-C705 HydrophobicContact CE2-CB 4.04Å; F616-C705 HydrophobicContact CG-CB 4.44Å; F616-C705 HydrophobicContact CZ-CB 3.71Å; F616-Q708 HydrophobicContact CD1-CB 4.16Å; F616-Q708 HydrophobicContact CD1-CG 4.47Å; F616-I712 HydrophobicContact CD1-CD1 3.82Å; F616-I712 HydrophobicContact CE1-CD1 3.53Å; F616-I712 HydrophobicContact CZ-CD1 4.46Å |
| 617 | Q | 71.9 | Confident | 56.7 | Low | 19 Ų | 19 | 56 Ų | 56 | 9% | 0.089 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.7 | -49.9 | 176.4 | -75.9 | 167.1 | 4.1 | 0 | 0 | 109.9 | S613 T614 V619 I620 L621 N711 I712 | S613-Q617 VanDerWaalsContact CA-OE1 3.31Å; T614-Q617 PolarHBondContact O-N 3.28Å; T614-Q617 WeakPolarHBondContact OG1-CB 3.37Å; T614-Q617 WeakPolarHBondContact OG1-CG 3.39Å; T614-Q617 PolarHBondContact OG1-N 2.91Å; Q617-V619 PolarHBondContact O-N 3.2Å; Q617-I620 PolarHBondContact O-N 3.02Å; Q617-L621 HydrophobicContact CB-CD1 4.07Å; Q617-L621 WeakPolarHBondContact O-CB 3.38Å; Q617-L621 WeakPolarHBondContact O-CD1 3.17Å; Q617-L621 WeakPolarHBondContact O-CG 3.25Å; Q617-L621 PolarHBondContact O-N 3.45Å; Q617-N711 VanDerWaalsContact NE2-CB 3.35Å; Q617-I712 HydrophobicContact CG-CD1 4.38Å; Q617-I712 HydrophobicContact CG-CG1 3.8Å |
| 618 | E | 71.6 | Confident | 57.8 | Low | 7 Ų | 7 | 56.4 Ų | 56.4 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.3 | -51 | 178.3 | -71.7 | -72.6 | 149.7 | 0 | 0 | 110.8 | V546 I583 S613 T614 I615 F616 I620 L621 I622 R627 | V546-E618 HydrophobicContact CG2-CB 4.07Å; I583-E618 HydrophobicContact CD1-CG 4.26Å; S613-E618 WeakPolarHBondContact CB-OE1 3.39Å; S613-E618 VanDerWaalsContact OG-CG 3.32Å; S613-E618 WeakPolarHBondContact OG-CG 3.34Å; S613-E618 PolarHBondContact OG-OE1 3.33Å; T614-E618 PolarHBondContact O-N 3.44Å; I615-E618 PolarHBondContact O-N 2.9Å; F616-E618 VanDerWaalsContact C-N 3.32Å; F616-E618 PolarHBondContact O-N 3.47Å; E618-I620 VanDerWaalsContact C-N 3.32Å; E618-I620 PolarHBondContact O-N 2.86Å; E618-L621 CarbonylContact O-C 3.58Å; E618-L621 PolarHBondContact O-N 2.85Å; E618-I622 WeakPolarHBondContact O-CG1 3.35Å; E618-I622 PolarHBondContact O-N 3.47Å; E618-R627 IonicContact OE1-CZ 3.9Å; E618-R627 IonicContact OE1-NH1 2.65Å; E618-R627 PolarHBondContact OE1-NH1 3.44Å; E618-R627 IonicContact OE1-NH2 3.99Å; E618-R627 PolarHBondContact OE1-NH2 2.8Å; E618-R627 IonicContact OE2-CZ 2.88Å; E618-R627 IonicContact OE2-NH1 2.84Å; E618-R627 PolarHBondContact OE2-NH1 2.83Å; E618-R627 IonicContact OE2-NH2 2.69Å |
| 619 | V | 74.9 | Confident | 58.9 | Low | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -52.2 | -47.2 | 179 | 170.7 | 0 | 0 | 0 | 0 | 112.1 | V546 L549 V550 I553 I615 F616 Q617 L635 | V546-V619 HydrophobicContact CG1-CG2 4.31Å; L549-V619 HydrophobicContact CB-CG2 3.91Å; L549-V619 HydrophobicContact CD1-CG2 3.92Å; V550-V619 HydrophobicContact CG2-CG1 4.41Å; I553-V619 HydrophobicContact CD1-CG1 3.93Å; I615-V619 HydrophobicContact CG2-CG2 4.29Å; I615-V619 VanDerWaalsContact O-CG2 3.27Å; I615-V619 WeakPolarHBondContact O-CG2 3.37Å; I615-V619 PolarHBondContact O-N 3.01Å; F616-V619 PolarHBondContact O-N 3.42Å; Q617-V619 PolarHBondContact O-N 3.2Å; V619-L635 HydrophobicContact CG1-CD1 3.99Å; V619-L635 WeakPolarHBondContact O-CD1 3.36Å |
| 620 | I | 73.4 | Confident | 59.9 | Low | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.051 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.8 | -36.8 | 178.7 | -61.6 | -60.9 | 0 | 0 | 0 | 111.9 | F616 Q617 E618 W624 I696 F700 I712 | F616-I620 HydrophobicContact CD2-CG1 4.24Å; F616-I620 HydrophobicContact CE1-CG1 4.38Å; F616-I620 HydrophobicContact CE2-CD1 4.09Å; F616-I620 HydrophobicContact CE2-CG1 3.87Å; F616-I620 HydrophobicContact CZ-CD1 4.31Å; F616-I620 HydrophobicContact CZ-CG1 3.95Å; F616-I620 WeakPolarHBondContact O-CG1 3.34Å; F616-I620 PolarHBondContact O-N 2.98Å; Q617-I620 PolarHBondContact O-N 3.02Å; E618-I620 VanDerWaalsContact C-N 3.32Å; E618-I620 PolarHBondContact O-N 2.86Å; I620-W624 HydrophobicContact CG2-CH2 4.24Å; I620-W624 HydrophobicContact CG2-CZ3 4.41Å; I620-I696 HydrophobicContact CD1-CG2 4.3Å; I620-F700 HydrophobicContact CD1-CE2 4.3Å; I620-I712 HydrophobicContact CG2-CG2 4.03Å |
| 621 | L | 66.8 | Low | 60.7 | Low | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -89.3 | -4.2 | -173.4 | -62.4 | 173.5 | 0 | 0 | 0 | 114.2 | Q617 E618 D623 W624 S625 I712 Y715 | Q617-L621 HydrophobicContact CB-CD1 4.07Å; Q617-L621 WeakPolarHBondContact O-CB 3.38Å; Q617-L621 WeakPolarHBondContact O-CD1 3.17Å; Q617-L621 WeakPolarHBondContact O-CG 3.25Å; Q617-L621 PolarHBondContact O-N 3.45Å; E618-L621 CarbonylContact O-C 3.58Å; E618-L621 PolarHBondContact O-N 2.85Å; L621-D623 PolarHBondContact O-N 3.25Å; L621-D623 VanDerWaalsContact O-N 3.15Å; L621-W624 HydrophobicContact CD2-CD2 4.25Å; L621-W624 HydrophobicContact CD2-CE3 3.17Å; L621-W624 HydrophobicContact CD2-CZ3 3.45Å; L621-W624 VanDerWaalsContact CD2-CZ3 3.45Å; L621-W624 CarbonylContact O-C 3.53Å; L621-W624 PolarHBondContact O-N 3.49Å; L621-S625 PolarHBondContact O-N 2.95Å; L621-I712 HydrophobicContact CD2-CG2 4.15Å; L621-Y715 HydrophobicContact CB-CD1 4.33Å; L621-Y715 HydrophobicContact CB-CE1 4.11Å; L621-Y715 HydrophobicContact CD1-CD1 3.38Å; L621-Y715 HydrophobicContact CD1-CE1 3.79Å; L621-Y715 HydrophobicContact CD1-CG 3.86Å; L621-Y715 HydrophobicContact CD2-CD1 3.52Å; L621-Y715 HydrophobicContact CD2-CE1 4.1Å; L621-Y715 HydrophobicContact CD2-CG 4.47Å; L621-Y715 HydrophobicContact CG-CD1 3.91Å; L621-Y715 HydrophobicContact CG-CE1 4.21Å |
| 622 | I | 64.2 | Low | 61.1 | Low | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.7 | -48.6 | 178.3 | -76.8 | 173.7 | 0 | 0 | 0 | 110.6 | V546 V550 E618 W624 S625 Y630 I633 | V546-I622 HydrophobicContact CG1-CD1 3.3Å; V546-I622 HydrophobicContact CG1-CG1 3.69Å; V550-I622 HydrophobicContact CB-CD1 4.48Å; V550-I622 HydrophobicContact CG2-CD1 3.09Å; E618-I622 WeakPolarHBondContact O-CG1 3.35Å; E618-I622 PolarHBondContact O-N 3.47Å; I622-W624 VanDerWaalsContact C-N 3.33Å; I622-W624 PolarHBondContact O-N 3.49Å; I622-S625 PolarHBondContact O-N 3.29Å; I622-S625 PolarHBondContact O-OG 3.18Å; I622-Y630 HydrophobicContact CB-CD1 4.32Å; I622-Y630 HydrophobicContact CG1-CD1 3.85Å; I622-Y630 HydrophobicContact CG1-CE1 4.23Å; I622-Y630 HydrophobicContact CG2-CD1 3.99Å; I622-Y630 HydrophobicContact CG2-CG 4.34Å; I622-I633 WeakPolarHBondContact CG2-O 3.28Å |
| 623 | D | 55.9 | Low | 61.3 | Low | 26 Ų | 26 | 39.2 Ų | 39.2 | 14% | 0.139 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -17.5 | -173.8 | -74.7 | -25 | 0 | 0 | 0 | 114.9 | L621 S634 L635 F636 | L621-D623 PolarHBondContact O-N 3.25Å; L621-D623 VanDerWaalsContact O-N 3.15Å; D623-S634 WeakPolarHBondContact OD1-CA 3.43Å; D623-S634 WeakPolarHBondContact OD1-CB 3.41Å; D623-L635 WeakPolarHBondContact OD2-CA 3.48Å; D623-L635 WeakPolarHBondContact OD2-CB 3.45Å; D623-L635 PolarHBondContact OD2-N 3Å; D623-F636 HydrophobicContact CB-CD2 4.25Å; D623-F636 HydrophobicContact CB-CE2 4.42Å; D623-F636 WeakPolarHBondContact OD2-CD2 3.21Å; D623-F636 PolarHBondContact OD2-N 3.21Å |
| 624 | W | 56.5 | Low | 61.1 | Low | 21 Ų | 21 | 38.9 Ų | 38.9 | 8% | 0.08 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -13.1 | 177.1 | -49.5 | -24.6 | 0 | 0 | 0 | 111.2 | I620 L621 I622 N626 I712 F716 L719 F766 | I620-W624 HydrophobicContact CG2-CH2 4.24Å; I620-W624 HydrophobicContact CG2-CZ3 4.41Å; L621-W624 HydrophobicContact CD2-CD2 4.25Å; L621-W624 HydrophobicContact CD2-CE3 3.17Å; L621-W624 HydrophobicContact CD2-CZ3 3.45Å; L621-W624 VanDerWaalsContact CD2-CZ3 3.45Å; L621-W624 CarbonylContact O-C 3.53Å; L621-W624 PolarHBondContact O-N 3.49Å; I622-W624 VanDerWaalsContact C-N 3.33Å; I622-W624 PolarHBondContact O-N 3.49Å; W624-N626 PolarHBondContact O-N 3.04Å; W624-I712 HydrophobicContact CZ3-CG2 4.08Å; W624-F716 AromaticContact CD2-CD2 3.64Å; W624-F716 HydrophobicContact CD2-CD2 3.64Å; W624-F716 HydrophobicContact CD2-CE2 4.08Å; W624-F716 AromaticContact CE2-CD2 3.93Å; W624-F716 AromaticContact CE2-CE2 3.94Å; W624-F716 HydrophobicContact CE3-CB 3.96Å; W624-F716 AromaticContact CE3-CD2 3.32Å; W624-F716 HydrophobicContact CE3-CD2 3.32Å; W624-F716 HydrophobicContact CE3-CE2 4.17Å; W624-F716 HydrophobicContact CE3-CG 4.05Å; W624-F716 HydrophobicContact CG-CD2 4.44Å; W624-F716 AromaticContact CH2-CD2 3.77Å; W624-F716 HydrophobicContact CH2-CD2 3.77Å; W624-F716 HydrophobicContact CH2-CE2 4.15Å; W624-F716 HydrophobicContact CH2-CG 4.32Å; W624-F716 HydrophobicContact CZ2-CD2 4.01Å; W624-F716 AromaticContact CZ2-CE2 4Å; W624-F716 HydrophobicContact CZ2-CE2 4Å; W624-F716 HydrophobicContact CZ3-CB 3.73Å; W624-F716 AromaticContact CZ3-CD2 3.41Å; W624-F716 HydrophobicContact CZ3-CD2 3.41Å; W624-F716 VanDerWaalsContact CZ3-CD2 3.41Å; W624-F716 HydrophobicContact CZ3-CE2 4.22Å; W624-F716 AromaticContact CZ3-CG 3.83Å; W624-F716 HydrophobicContact CZ3-CG 3.83Å; W624-L719 HydrophobicContact CB-CD1 3.49Å; W624-L719 VanDerWaalsContact CB-CD1 3.49Å; W624-L719 WeakPolarHBondContact O-CD1 3.46Å; W624-F766 HydrophobicContact CH2-CB 3.98Å; W624-F766 AromaticContact CH2-CD1 3.7Å; W624-F766 HydrophobicContact CH2-CD1 3.7Å; W624-F766 AromaticContact CH2-CD2 3.47Å; W624-F766 HydrophobicContact CH2-CD2 3.47Å; W624-F766 VanDerWaalsContact CH2-CD2 3.47Å; W624-F766 AromaticContact CH2-CE1 3.91Å; W624-F766 HydrophobicContact CH2-CE1 3.91Å; W624-F766 AromaticContact CH2-CE2 3.74Å; W624-F766 HydrophobicContact CH2-CE2 3.74Å; W624-F766 AromaticContact CH2-CG 3.44Å; W624-F766 HydrophobicContact CH2-CG 3.44Å; W624-F766 VanDerWaalsContact CH2-CG 3.44Å; W624-F766 AromaticContact CH2-CZ 3.96Å; W624-F766 HydrophobicContact CH2-CZ 3.96Å; W624-F766 HydrophobicContact CZ2-CB 3.78Å; W624-F766 HydrophobicContact CZ2-CD1 4.28Å; W624-F766 HydrophobicContact CZ2-CD2 4.04Å; W624-F766 AromaticContact CZ2-CG 3.8Å; W624-F766 HydrophobicContact CZ2-CG 3.8Å; W624-F766 HydrophobicContact CZ3-CD1 4.46Å; W624-F766 HydrophobicContact CZ3-CE1 4.33Å; W624-F766 HydrophobicContact CZ3-CE2 4.49Å; W624-F766 HydrophobicContact CZ3-CZ 4.38Å |
| 625 | S | 54.4 | Low | 60.7 | Low | 11 Ų | 11 | 38 Ų | 38 | 8% | 0.077 | 19% | 0.194 | C | C | . | . | trans | -72.1 | 122.1 | 174.6 | 80.6 | 0 | 0 | 0 | 0 | 110.1 | L621 I622 R627 | L621-S625 PolarHBondContact O-N 2.95Å; I622-S625 PolarHBondContact O-N 3.29Å; I622-S625 PolarHBondContact O-OG 3.18Å; S625-R627 PolarHBondContact O-N 2.96Å | ||
| 626 | N | 48.5 | Very low | 59.9 | Low | 114 Ų | 114 | 39 Ų | 39 | 61% | 0.61 | 20% | 0.198 | S | C | * | . | trans | -66.2 | 19.2 | 170.6 | -77.6 | -19.5 | 0 | 0 | 0 | 113.1 | W624 K628 N723 | W624-N626 PolarHBondContact O-N 3.04Å; N626-K628 PolarHBondContact O-N 3.26Å; N626-N723 PolarHBondContact ND2-OD1 3.19Å | ||
| 627 | R | 54.1 | Low | 58.5 | Low | 58 Ų | 58 | 40.5 Ų | 40.5 | 22% | 0.219 | 21% | 0.214 | C | C | . | . | trans | -85.5 | 112.2 | -174.6 | -67.3 | -177.2 | -172.7 | 164.3 | 8.5 | 108.2 | E618 S625 S629 Y630 | E618-R627 IonicContact OE1-CZ 3.9Å; E618-R627 IonicContact OE1-NH1 2.65Å; E618-R627 PolarHBondContact OE1-NH1 3.44Å; E618-R627 IonicContact OE1-NH2 3.99Å; E618-R627 PolarHBondContact OE1-NH2 2.8Å; E618-R627 IonicContact OE2-CZ 2.88Å; E618-R627 IonicContact OE2-NH1 2.84Å; E618-R627 PolarHBondContact OE2-NH1 2.83Å; E618-R627 IonicContact OE2-NH2 2.69Å; S625-R627 PolarHBondContact O-N 2.96Å; R627-S629 PolarHBondContact O-N 2.88Å; R627-Y630 HydrophobicContact CB-CD2 3.42Å; R627-Y630 VanDerWaalsContact CB-CD2 3.42Å; R627-Y630 HydrophobicContact CB-CE2 3.86Å; R627-Y630 HydrophobicContact CG-CD2 4.29Å; R627-Y630 HydrophobicContact CG-CE2 4.31Å; R627-Y630 PolarHBondContact NH1-OH 2.92Å; R627-Y630 PolarHBondContact O-N 3.34Å | ||
| 628 | K | 49.6 | Very low | 57.1 | Low | 184 Ų | 184 | 47 Ų | 47 | 80% | 0.8 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -49.8 | -28 | 177.9 | -72.8 | -175.8 | 176.7 | -177.2 | 0 | 114.2 | N626 Y630 L631 | N626-K628 PolarHBondContact O-N 3.26Å; K628-Y630 PolarHBondContact O-N 3.33Å; K628-L631 HydrophobicContact CG-CD1 4.46Å |
| 629 | S | 50.7 | Low | 55.4 | Low | 81 Ų | 81 | 50.3 Ų | 50.3 | 57% | 0.566 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -68.3 | -12.8 | 178.9 | 52.2 | 0 | 0 | 0 | 0 | 115.1 | R627 | R627-S629 PolarHBondContact O-N 2.88Š|
| 630 | Y | 53.8 | Low | 53.4 | Low | 17 Ų | 17 | 55.9 Ų | 55.9 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -111.3 | -8.7 | -174.2 | -67.6 | -85.5 | 0 | 0 | 0 | 113.8 | V546 F585 I622 R627 K628 D632 I633 S634 | V546-Y630 HydrophobicContact CG1-CE1 4.03Å; F585-Y630 VanDerWaalsContact CE2-OH 3.26Å; F585-Y630 WeakPolarHBondContact CE2-OH 3.43Å; F585-Y630 WeakPolarHBondContact CZ-OH 3.4Å; I622-Y630 HydrophobicContact CB-CD1 4.32Å; I622-Y630 HydrophobicContact CG1-CD1 3.85Å; I622-Y630 HydrophobicContact CG1-CE1 4.23Å; I622-Y630 HydrophobicContact CG2-CD1 3.99Å; I622-Y630 HydrophobicContact CG2-CG 4.34Å; R627-Y630 HydrophobicContact CB-CD2 3.42Å; R627-Y630 VanDerWaalsContact CB-CD2 3.42Å; R627-Y630 HydrophobicContact CB-CE2 3.86Å; R627-Y630 HydrophobicContact CG-CD2 4.29Å; R627-Y630 HydrophobicContact CG-CE2 4.31Å; R627-Y630 PolarHBondContact NH1-OH 2.92Å; R627-Y630 PolarHBondContact O-N 3.34Å; K628-Y630 PolarHBondContact O-N 3.33Å; Y630-D632 PolarHBondContact O-N 3.29Å; Y630-I633 CarbonylContact O-C 3.57Å; Y630-I633 PolarHBondContact O-N 3.49Å; Y630-S634 PolarHBondContact O-N 3.33Å |
| 631 | L | 48.6 | Very low | 51.6 | Low | 68 Ų | 68 | 58.3 Ų | 58.3 | 36% | 0.356 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -56.2 | -34.4 | 178.2 | -76.5 | 165.4 | 0 | 0 | 0 | 112.2 | K628 I633 Y638 | K628-L631 HydrophobicContact CG-CD1 4.46Å; L631-I633 VanDerWaalsContact C-N 3.32Å; L631-Y638 HydrophobicContact CB-CE2 4.28Å; L631-Y638 WeakPolarHBondContact O-CD2 3.23Å |
| 632 | D | 51.4 | Low | 49.9 | Very low | 137 Ų | 137 | 65.8 Ų | 65.8 | 73% | 0.733 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -80.4 | -11.8 | 178.2 | -61.3 | -21.5 | 0 | 0 | 0 | 113.6 | Y630 | Y630-D632 PolarHBondContact O-N 3.29Š|
| 633 | I | 54.8 | Low | 48.4 | Very low | 23 Ų | 23 | 72.1 Ų | 72.1 | 12% | 0.118 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -117.1 | 26.1 | -170.3 | -45.6 | 170.3 | 0 | 0 | 0 | 109.8 | R547 V550 R554 I622 Y630 L631 L635 | R547-I633 HydrophobicContact CB-CD1 4.35Å; R547-I633 HydrophobicContact CG-CD1 4.05Å; R547-I633 HydrophobicContact CG-CG2 4.24Å; V550-I633 HydrophobicContact CB-CG2 3.95Å; V550-I633 HydrophobicContact CG1-CG2 3.81Å; V550-I633 WeakPolarHBondContact CG1-O 3.19Å; V550-I633 HydrophobicContact CG2-CG2 4.07Å; R554-I633 VanDerWaalsContact NH2-CA 3.34Å; R554-I633 PolarHBondContact NH2-O 3.29Å; I622-I633 WeakPolarHBondContact CG2-O 3.28Å; Y630-I633 CarbonylContact O-C 3.57Å; Y630-I633 PolarHBondContact O-N 3.49Å; L631-I633 VanDerWaalsContact C-N 3.32Å; I633-L635 PolarHBondContact O-N 2.95Å |
| 634 | S | 59.5 | Low | 47.1 | Very low | 9 Ų | 9 | 78.9 Ų | 78.9 | 6% | 0.063 | 40% | 0.397 | C | S | . | . | trans | -67 | 117.3 | -178.3 | 58.1 | 0 | 0 | 0 | 0 | 116.8 | R554 D623 Y630 F636 G637 | R554-S634 VanDerWaalsContact CZ-C 3.43Å; R554-S634 PolarHBondContact NE-O 2.93Å; R554-S634 PolarHBondContact NH1-O 3.3Å; R554-S634 PolarHBondContact NH2-O 2.93Å; D623-S634 WeakPolarHBondContact OD1-CA 3.43Å; D623-S634 WeakPolarHBondContact OD1-CB 3.41Å; Y630-S634 PolarHBondContact O-N 3.33Å; S634-F636 PolarHBondContact O-N 2.97Å; S634-G637 PolarHBondContact O-N 3.33Å; S634-G637 WeakPolarHBondContact OG-CA 3.46Å; S634-G637 PolarHBondContact OG-N 3.43Å; S634-G637 PolarHBondContact OG-O 3.41Å | ||
| 635 | L | 61.3 | Low | 45.7 | Very low | 4 Ų | 4 | 84.8 Ų | 84.8 | 2% | 0.021 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -36.1 | 170.8 | -91.1 | 133.2 | 0 | 0 | 0 | 110.8 | V550 I553 V619 D623 I633 G637 L692 | V550-L635 HydrophobicContact CG1-CG 4.3Å; V550-L635 HydrophobicContact CG2-CD1 4.21Å; V550-L635 HydrophobicContact CG2-CG 4.35Å; I553-L635 HydrophobicContact CB-CD2 4Å; I553-L635 HydrophobicContact CD1-CD2 4.15Å; I553-L635 HydrophobicContact CG2-CD2 3.49Å; I553-L635 VanDerWaalsContact CG2-CD2 3.49Å; V619-L635 HydrophobicContact CG1-CD1 3.99Å; V619-L635 WeakPolarHBondContact O-CD1 3.36Å; D623-L635 WeakPolarHBondContact OD2-CA 3.48Å; D623-L635 WeakPolarHBondContact OD2-CB 3.45Å; D623-L635 PolarHBondContact OD2-N 3Å; I633-L635 PolarHBondContact O-N 2.95Å; L635-G637 VanDerWaalsContact C-N 3.32Å; L635-G637 PolarHBondContact O-N 3.17Å; L635-L692 HydrophobicContact CD2-CD1 4.42Å; L635-L692 VanDerWaalsContact O-CD1 3.24Å; L635-L692 WeakPolarHBondContact O-CD1 3.42Å |
| 636 | F | 56.4 | Low | 44.5 | Very low | 22 Ų | 22 | 91 Ų | 91 | 10% | 0.096 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -30.7 | 170.1 | 27.4 | -127.4 | 0 | 0 | 0 | 117.2 | D623 S634 F651 L692 I696 H762 I765 | D623-F636 HydrophobicContact CB-CD2 4.25Å; D623-F636 HydrophobicContact CB-CE2 4.42Å; D623-F636 WeakPolarHBondContact OD2-CD2 3.21Å; D623-F636 PolarHBondContact OD2-N 3.21Å; S634-F636 PolarHBondContact O-N 2.97Å; F636-F651 HydrophobicContact CB-CE1 4.48Å; F636-F651 HydrophobicContact CB-CE2 4.43Å; F636-F651 HydrophobicContact CB-CZ 3.69Å; F636-F651 WeakPolarHBondContact O-CE2 3.42Å; F636-F651 WeakPolarHBondContact O-CZ 3.49Å; F636-L692 HydrophobicContact CD1-CD2 3.63Å; F636-L692 HydrophobicContact CE1-CD2 3.47Å; F636-L692 VanDerWaalsContact CE1-CD2 3.47Å; F636-I696 HydrophobicContact CE1-CD1 3.97Å; F636-I696 HydrophobicContact CZ-CD1 4.08Å; F636-H762 AromaticContact CD2-CD2 3.46Å; F636-H762 VanDerWaalsContact CD2-CD2 3.46Å; F636-H762 WeakPolarHBondContact CD2-CD2 3.46Å; F636-H762 AromaticContact CD2-NE2 3.54Å; F636-H762 AromaticContact CG-CD2 3.99Å; F636-I765 HydrophobicContact CD1-CD1 3.7Å; F636-I765 HydrophobicContact CD1-CG2 4.25Å; F636-I765 HydrophobicContact CE1-CB 4.41Å; F636-I765 HydrophobicContact CE1-CD1 4.05Å; F636-I765 HydrophobicContact CE1-CG2 3.52Å; F636-I765 HydrophobicContact CG-CD1 4.07Å; F636-I765 HydrophobicContact CZ-CG2 3.92Å |
| 637 | G | 50.3 | Low | 43.4 | Very low | 31 Ų | 31 | 93 Ų | 93 | 32% | 0.32 | 47% | 0.473 | S | S | . | . | trans | 76.1 | 166.3 | -162 | 0 | 0 | 0 | 0 | 0 | 113 | S634 L635 | S634-G637 PolarHBondContact O-N 3.33Å; S634-G637 WeakPolarHBondContact OG-CA 3.46Å; S634-G637 PolarHBondContact OG-N 3.43Å; S634-G637 PolarHBondContact OG-O 3.41Å; L635-G637 VanDerWaalsContact C-N 3.32Å; L635-G637 PolarHBondContact O-N 3.17Å | ||
| 638 | Y | 42.1 | Very low | 42.2 | Very low | 156 Ų | 156 | 93.2 Ų | 93.2 | 61% | 0.612 | 49% | 0.492 | S | S | * | . | trans | -100.8 | 119 | 168.2 | -134.2 | -90.2 | 0 | 0 | 0 | 106.1 | L631 D640 | L631-Y638 HydrophobicContact CB-CE2 4.28Å; L631-Y638 WeakPolarHBondContact O-CD2 3.23Å; Y638-D640 PolarHBondContact O-N 3.48Å | ||
| 639 | E | 35.3 | Very low | 41.4 | Very low | 76 Ų | 76 | 89.2 Ų | 89.2 | 36% | 0.355 | 48% | 0.48 | S | S | . | . | trans | -68.7 | 123.9 | 172.6 | -73 | -179.5 | 155.6 | 0 | 0 | 108.8 | P641 I761 | E639-P641 VanDerWaalsContact O-CD 3.28Å; E639-P641 WeakPolarHBondContact O-CD 3.33Å; E639-I761 WeakPolarHBondContact OE1-CD1 3.39Å | ||
| 640 | D | 33.4 | Very low | 40.9 | Very low | 117 Ų | 117 | 89.2 Ų | 89.2 | 63% | 0.626 | 47% | 0.473 | S | S | * | . | trans | -92.3 | 100.4 | 154 | -153.8 | -12.2 | 0 | 0 | 0 | 106.2 | Y638 F642 | Y638-D640 PolarHBondContact O-N 3.48Å; D640-F642 PolarHBondContact O-N 3.31Å | ||
| 641 | P | 35.8 | Very low | 40.1 | Very low | 62 Ų | 62 | 91.6 Ų | 91.6 | 40% | 0.403 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 7.5 | -171.4 | 28.4 | -34.1 | 0 | 0 | 0 | 113.8 | E639 | E639-P641 VanDerWaalsContact O-CD 3.28Å; E639-P641 WeakPolarHBondContact O-CD 3.33Å |
| 642 | F | 30.6 | Very low | 39.3 | Very low | 163 Ų | 163 | 91.9 Ų | 91.9 | 72% | 0.715 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | -6.9 | -174.8 | -69 | -74.2 | 0 | 0 | 0 | 115.5 | D640 E644 | D640-F642 PolarHBondContact O-N 3.31Å; F642-E644 VanDerWaalsContact C-N 3.34Å; F642-E644 PolarHBondContact O-N 3.24Å |
| 643 | D | 33.1 | Very low | 38.3 | Very low | 135 Ų | 135 | 88 Ų | 88 | 72% | 0.722 | 47% | 0.473 | S | S | * | . | trans | -93.3 | 62.2 | 172.4 | -86.4 | -15.7 | 0 | 0 | 0 | 111.1 | L645 | D643-L645 PolarHBondContact O-N 2.93Š| ||
| 644 | E | 28 | Very low | 37.1 | Very low | 167 Ų | 167 | 92.5 Ų | 92.5 | 78% | 0.78 | 50% | 0.497 | S | S | * | . | trans | -76 | 0.6 | 179.3 | -87.6 | -171.9 | 154.3 | 0 | 0 | 114.7 | F642 | F642-E644 VanDerWaalsContact C-N 3.34Å; F642-E644 PolarHBondContact O-N 3.24Å | ||
| 645 | L | 28.8 | Very low | 35.7 | Very low | 146 Ų | 146 | 95.8 Ų | 95.8 | 76% | 0.764 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -135.4 | 97 | -168.2 | -74.7 | 154.7 | 0 | 0 | 0 | 111.3 | D643 | D643-L645 PolarHBondContact O-N 2.93Š|
| 646 | N | 27.5 | Very low | 34 | Very low | 142 Ų | 142 | 102.6 Ų | 102.6 | 76% | 0.759 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 82.9 | 106 | 165.4 | -45.2 | -53.7 | 0 | 0 | 0 | 115.9 | ||
| 647 | N | 27 | Very low | 32.6 | Very low | 156 Ų | 156 | 111 Ų | 111 | 83% | 0.834 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 111.9 | 83.1 | 159.6 | -54.4 | -37.1 | 0 | 0 | 0 | 116.8 | ||
| 648 | G | 29.2 | Very low | 31.4 | Very low | 61 Ų | 61 | 117.4 Ų | 117.4 | 63% | 0.629 | 60% | 0.596 | S | S | * | * | trans | 88.1 | 43.4 | 146.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | L650 | G648-L650 PolarHBondContact O-N 3.03Š| ||
| 649 | N | 32.1 | Very low | 30.7 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 54% | 0.535 | 60% | 0.604 | S | S | . | * | trans | -64.4 | 116.3 | 169.3 | -101.8 | -14.9 | 0 | 0 | 0 | 110.8 | F651 S652 | N649-F651 PolarHBondContact O-N 3.02Å; N649-F651 VanDerWaalsContact O-N 3.12Å; N649-S652 WeakPolarHBondContact CB-OG 3.35Å; N649-S652 PolarHBondContact O-N 3.1Å; N649-S652 PolarHBondContact O-OG 3.15Å | ||
| 650 | L | 40 | Very low | 30.3 | Very low | 81 Ų | 81 | 121.2 Ų | 121.2 | 42% | 0.424 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.3 | -16.9 | 177 | -110.9 | 108.4 | 0 | 0 | 0 | 113.8 | V557 G648 | V557-L650 HydrophobicContact CG1-CD1 3.39Å; V557-L650 HydrophobicContact CG1-CD2 3.39Å; V557-L650 HydrophobicContact CG1-CG 3.88Å; V557-L650 HydrophobicContact CG2-CD2 4.41Å; G648-L650 PolarHBondContact O-N 3.03Å |
| 651 | F | 36.6 | Very low | 30 | Very low | 67 Ų | 67 | 124 Ų | 124 | 29% | 0.294 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123 | 4.6 | -176.3 | -62.6 | -70.9 | 0 | 0 | 0 | 114.3 | F636 N649 V653 I761 I765 | F636-F651 HydrophobicContact CB-CE1 4.48Å; F636-F651 HydrophobicContact CB-CE2 4.43Å; F636-F651 HydrophobicContact CB-CZ 3.69Å; F636-F651 WeakPolarHBondContact O-CE2 3.42Å; F636-F651 WeakPolarHBondContact O-CZ 3.49Å; N649-F651 PolarHBondContact O-N 3.02Å; N649-F651 VanDerWaalsContact O-N 3.12Å; F651-V653 PolarHBondContact O-N 3.17Å; F651-I761 HydrophobicContact CD1-CG2 3.97Å; F651-I761 HydrophobicContact CE1-CG2 4.17Å; F651-I765 HydrophobicContact CD1-CD1 4.43Å; F651-I765 HydrophobicContact CE1-CD1 3.64Å; F651-I765 HydrophobicContact CZ-CD1 4.41Å |
| 652 | S | 31.7 | Very low | 29.5 | Very low | 75 Ų | 75 | 127.5 Ų | 127.5 | 52% | 0.524 | 64% | 0.642 | S | S | . | * | trans | -79 | 56.2 | 170.1 | 69.5 | 0 | 0 | 0 | 0 | 110.8 | N649 N654 | N649-S652 WeakPolarHBondContact CB-OG 3.35Å; N649-S652 PolarHBondContact O-N 3.1Å; N649-S652 PolarHBondContact O-OG 3.15Å; S652-N654 PolarHBondContact O-N 3.38Å; S652-N654 VanDerWaalsContact O-N 3.13Å | ||
| 653 | V | 31.9 | Very low | 29.4 | Very low | 56 Ų | 56 | 127.5 Ų | 127.5 | 34% | 0.339 | 64% | 0.641 | S | S | . | * | trans | -77.7 | 84.1 | 151.7 | -174.2 | 0 | 0 | 0 | 0 | 104.6 | F651 F655 | F651-V653 PolarHBondContact O-N 3.17Å; V653-F655 HydrophobicContact CB-CD2 4.31Å; V653-F655 HydrophobicContact CB-CE2 4.06Å; V653-F655 HydrophobicContact CG1-CD1 4.29Å; V653-F655 HydrophobicContact CG1-CD2 3.74Å; V653-F655 HydrophobicContact CG1-CE1 4.13Å; V653-F655 HydrophobicContact CG1-CE2 3.55Å; V653-F655 HydrophobicContact CG1-CG 4.13Å; V653-F655 HydrophobicContact CG1-CZ 3.78Å; V653-F655 WeakPolarHBondContact O-CD2 3.4Å; V653-F655 PolarHBondContact O-N 3.4Å | ||
| 654 | N | 27.8 | Very low | 29.1 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | trans | -60.2 | 100 | 158.4 | -100.2 | -1.6 | 0 | 0 | 0 | 105.4 | S652 Q656 | S652-N654 PolarHBondContact O-N 3.38Å; S652-N654 VanDerWaalsContact O-N 3.13Å; N654-Q656 HydrophobicContact CB-CB 4.45Å; N654-Q656 HydrophobicContact CB-CG 4.02Å; N654-Q656 PolarHBondContact O-N 3.44Å | ||
| 655 | F | 30.4 | Very low | 29.1 | Very low | 77 Ų | 77 | 125.2 Ų | 125.2 | 34% | 0.338 | 64% | 0.643 | S | S | . | * | trans | -69.6 | 58.4 | 156.9 | -68.1 | -87.3 | 0 | 0 | 0 | 107.3 | V653 Y657 L687 E841 | V653-F655 HydrophobicContact CB-CD2 4.31Å; V653-F655 HydrophobicContact CB-CE2 4.06Å; V653-F655 HydrophobicContact CG1-CD1 4.29Å; V653-F655 HydrophobicContact CG1-CD2 3.74Å; V653-F655 HydrophobicContact CG1-CE1 4.13Å; V653-F655 HydrophobicContact CG1-CE2 3.55Å; V653-F655 HydrophobicContact CG1-CG 4.13Å; V653-F655 HydrophobicContact CG1-CZ 3.78Å; V653-F655 WeakPolarHBondContact O-CD2 3.4Å; V653-F655 PolarHBondContact O-N 3.4Å; F655-Y657 VanDerWaalsContact C-N 3.31Å; F655-Y657 PolarHBondContact O-N 2.95Å; F655-L687 HydrophobicContact CE1-CD1 4.41Å; F655-L687 HydrophobicContact CE2-CD1 4.34Å; F655-L687 HydrophobicContact CZ-CD1 3.56Å; F655-E841 VanDerWaalsContact CD1-OE1 3.28Å; F655-E841 WeakPolarHBondContact CD1-OE1 3.01Å; F655-E841 WeakPolarHBondContact CE1-OE1 2.78Å; F655-E841 WeakPolarHBondContact CE1-OE2 2.85Å | ||
| 656 | Q | 25.5 | Very low | 29 | Very low | 147 Ų | 147 | 126 Ų | 126 | 69% | 0.687 | 65% | 0.647 | S | S | * | * | trans | -66.8 | 103.1 | 166.3 | -88.6 | 175.7 | -27.3 | 0 | 0 | 104.7 | N654 E658 | N654-Q656 HydrophobicContact CB-CB 4.45Å; N654-Q656 HydrophobicContact CB-CG 4.02Å; N654-Q656 PolarHBondContact O-N 3.44Å; Q656-E658 PolarHBondContact O-N 3.11Å | ||
| 657 | Y | 27.7 | Very low | 28.9 | Very low | 199 Ų | 199 | 123.7 Ų | 123.7 | 78% | 0.78 | 64% | 0.642 | S | S | * | * | trans | -50.8 | 105.5 | 143.5 | -95.1 | -96.1 | 0 | 0 | 0 | 104.6 | F655 E659 | F655-Y657 VanDerWaalsContact C-N 3.31Å; F655-Y657 PolarHBondContact O-N 2.95Å; Y657-E659 PolarHBondContact O-N 3.14Å | ||
| 658 | E | 25.9 | Very low | 28.9 | Very low | 165 Ų | 165 | 123.1 Ų | 123.1 | 77% | 0.771 | 64% | 0.639 | S | S | * | * | trans | -59.5 | 93.8 | 154.1 | -79.4 | -173.2 | 161.4 | 0 | 0 | 104.4 | Q656 E660 | Q656-E658 PolarHBondContact O-N 3.11Å; E658-E660 PolarHBondContact O-N 3.2Å | ||
| 659 | E | 26 | Very low | 28.8 | Very low | 166 Ų | 166 | 128.1 Ų | 128.1 | 78% | 0.776 | 65% | 0.651 | S | S | * | * | trans | -53.2 | 90.7 | 147.4 | -79.5 | -173.9 | 156.4 | 0 | 0 | 104.7 | Y657 K661 | Y657-E659 PolarHBondContact O-N 3.14Å; E659-K661 PolarHBondContact O-N 3.21Å | ||
| 660 | E | 27.5 | Very low | 28.5 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 68% | 0.682 | 66% | 0.658 | S | S | * | * | trans | -60.7 | 82.2 | 161.2 | -82.8 | -165.5 | 153.8 | 0 | 0 | 106.4 | E658 N662 | E658-E660 PolarHBondContact O-N 3.2Å; E660-N662 PolarHBondContact O-N 3.06Å | ||
| 661 | K | 27.3 | Very low | 27.9 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 76% | 0.761 | 68% | 0.677 | S | S | * | * | trans | -48 | 91.6 | 140.2 | -74.8 | 177.1 | 177.7 | 172.4 | 0 | 105.5 | E659 | E659-K661 PolarHBondContact O-N 3.21Š| ||
| 662 | N | 25.8 | Very low | 27.3 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | trans | 156.4 | 96.6 | 154.8 | -77.3 | -23.8 | 0 | 0 | 0 | 109.5 | E660 | E660-N662 PolarHBondContact O-N 3.06Š| ||
| 663 | K | 28.4 | Very low | 27 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 71% | 0.709 | 72% | 0.715 | S | S | * | * | trans | 167 | 72.7 | 140.8 | -88.9 | 156.3 | -170.4 | 168.2 | 0 | 110.6 | D665 | K663-D665 VanDerWaalsContact C-N 3.34Å; K663-D665 PolarHBondContact O-N 3.14Å | ||
| 664 | S | 26.2 | Very low | 26.7 | Very low | 109 Ų | 109 | 149.6 Ų | 149.6 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.5 | 108 | 130 | 49.3 | 0 | 0 | 0 | 0 | 106.6 | ||
| 665 | D | 27.3 | Very low | 26.6 | Very low | 144 Ų | 144 | 153.6 Ų | 153.6 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 164.9 | -6.9 | 152.1 | -83.5 | -13.4 | 0 | 0 | 0 | 115.4 | K663 S667 | K663-D665 VanDerWaalsContact C-N 3.34Å; K663-D665 PolarHBondContact O-N 3.14Å; D665-S667 VanDerWaalsContact C-N 3.27Å; D665-S667 PolarHBondContact O-N 2.95Å; D665-S667 VanDerWaalsContact O-N 3.08Å |
| 666 | L | 27.8 | Very low | 26.3 | Very low | 163 Ų | 163 | 155.3 Ų | 155.3 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | -90.2 | 60.2 | 173.8 | -88.3 | 93.4 | 0 | 0 | 0 | 113.1 | ||||
| 667 | S | 25 | Very low | 26.4 | Very low | 94 Ų | 94 | 154.2 Ų | 154.2 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | trans | -89.7 | 139.5 | 150.6 | 71.6 | 0 | 0 | 0 | 0 | 107.9 | D665 | D665-S667 VanDerWaalsContact C-N 3.27Å; D665-S667 PolarHBondContact O-N 2.95Å; D665-S667 VanDerWaalsContact O-N 3.08Å | ||
| 668 | N | 26.1 | Very low | 26.4 | Very low | 143 Ų | 143 | 153.7 Ų | 153.7 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | trans | 82.2 | 84.3 | -174.9 | -50.4 | -33.9 | 0 | 0 | 0 | 114.9 | ||||
| 669 | N | 28.7 | Very low | 26.4 | Very low | 166 Ų | 166 | 155 Ų | 155 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | -168.9 | 121.3 | 115.8 | -90.4 | -30.3 | 0 | 0 | 0 | 111.6 | K671 | N669-K671 PolarHBondContact O-N 3.11Š| |||
| 670 | N | 24.8 | Very low | 26.3 | Very low | 127 Ų | 127 | 155.2 Ų | 155.2 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | trans | -57.4 | 114.7 | 167.6 | -74.3 | -54.6 | 0 | 0 | 0 | 110.2 | ||||
| 671 | K | 27.8 | Very low | 26.3 | Very low | 188 Ų | 188 | 152.9 Ų | 152.9 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | -159.1 | 126.2 | 146.4 | -104.1 | 165 | -170.6 | -173.9 | 0 | 108.5 | N669 Y673 | N669-K671 PolarHBondContact O-N 3.11Å; K671-Y673 PolarHBondContact O-N 2.94Å | ||
| 672 | L | 24.6 | Very low | 26.5 | Very low | 145 Ų | 145 | 149.3 Ų | 149.3 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | -46.3 | 118 | 167.3 | -102.1 | 70.3 | 0 | 0 | 0 | 108.5 | Q674 | L672-Q674 PolarHBondContact O-N 3.25Š| ||
| 673 | Y | 25 | Very low | 26.9 | Very low | 222 Ų | 222 | 146.1 Ų | 146.1 | 87% | 0.871 | 74% | 0.738 | S | S | * | * | trans | -81.7 | 98 | 159.6 | -86.6 | -85.6 | 0 | 0 | 0 | 107.5 | K671 | K671-Y673 PolarHBondContact O-N 2.94Š| ||
| 674 | Q | 25 | Very low | 27.2 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | trans | -46.4 | 128.1 | 152.4 | -142.4 | 163.6 | -35 | 0 | 0 | 107.5 | L672 D676 | L672-Q674 PolarHBondContact O-N 3.25Å; Q674-D676 PolarHBondContact O-N 3.37Å | ||
| 675 | F | 25.2 | Very low | 27.7 | Very low | 200 Ų | 200 | 139.2 Ų | 139.2 | 88% | 0.877 | 71% | 0.711 | S | S | * | * | trans | -69.2 | 67.9 | 169.3 | -102.3 | -90.1 | 0 | 0 | 0 | 108.9 | ||||
| 676 | D | 25 | Very low | 28.4 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 61% | 0.61 | 71% | 0.706 | S | S | * | * | trans | -94.8 | 73.4 | 160.7 | -69.8 | -31.1 | 0 | 0 | 0 | 106.2 | Q674 F678 | Q674-D676 PolarHBondContact O-N 3.37Å; D676-F678 VanDerWaalsContact C-N 3.32Å | ||
| 677 | M | 27.8 | Very low | 29.3 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 61% | 0.611 | 67% | 0.673 | S | S | * | * | trans | -103.7 | 53 | 160.2 | -89.7 | -156.5 | 77.1 | 0 | 0 | 109 | E680 | M677-E680 WeakPolarHBondContact CE-O 3.29Š| ||
| 678 | F | 26.6 | Very low | 30.4 | Very low | 188 Ų | 188 | 132.3 Ų | 132.3 | 83% | 0.825 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -94.7 | 124.1 | 152.6 | -80.4 | -91.9 | 0 | 0 | 0 | 105.8 | D676 | D676-F678 VanDerWaalsContact C-N 3.32Š|
| 679 | E | 26.3 | Very low | 31.7 | Very low | 193 Ų | 193 | 132.8 Ų | 132.8 | 90% | 0.902 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 103.6 | -16.9 | 161.8 | -60.8 | -170.3 | 140.6 | 0 | 0 | 122.7 | ||
| 680 | E | 24.5 | Very low | 33.3 | Very low | 169 Ų | 169 | 126.5 Ų | 126.5 | 79% | 0.79 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -134.7 | 132.2 | -177.6 | -73.9 | -177.9 | 158.2 | 0 | 0 | 115.9 | M677 | M677-E680 WeakPolarHBondContact CE-O 3.29Š|
| 681 | A | 26.8 | Very low | 35.3 | Very low | 97 Ų | 97 | 121.8 Ų | 121.8 | 80% | 0.802 | 61% | 0.606 | S | S | * | * | trans | 71.5 | 71.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 682 | W | 32.2 | Very low | 37.3 | Very low | 101 Ų | 101 | 113.3 Ų | 113.3 | 38% | 0.383 | 57% | 0.57 | S | S | . | * | trans | -105.5 | 139.6 | 150 | -74.9 | 56 | 0 | 0 | 0 | 108.4 | S684 I844 | W682-S684 PolarHBondContact O-N 3.48Å; W682-S684 PolarHBondContact O-OG 3.38Å; W682-I844 HydrophobicContact CH2-CB 4.25Å; W682-I844 HydrophobicContact CH2-CD1 4.24Å; W682-I844 HydrophobicContact CH2-CG2 3.58Å; W682-I844 HydrophobicContact CZ2-CG2 4.38Å; W682-I844 HydrophobicContact CZ3-CG2 4.44Å | ||
| 683 | S | 34.4 | Very low | 39.5 | Very low | 69 Ų | 69 | 106.9 Ų | 106.9 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 16.3 | 171.7 | 48 | 0 | 0 | 0 | 0 | 114.4 | S685 | S683-S685 PolarHBondContact O-N 3.48Š|
| 684 | S | 35 | Very low | 41.8 | Very low | 61 Ų | 61 | 99.5 Ų | 99.5 | 43% | 0.427 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.4 | 174.6 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | W682 K686 L687 S688 | W682-S684 PolarHBondContact O-N 3.48Å; W682-S684 PolarHBondContact O-OG 3.38Å; S684-K686 VanDerWaalsContact C-N 3.31Å; S684-K686 PolarHBondContact O-N 2.94Å; S684-L687 PolarHBondContact O-N 3.41Å; S684-S688 PolarHBondContact O-N 3.04Å; S684-S688 PolarHBondContact O-OG 2.94Å; S684-S688 VanDerWaalsContact O-OG 3.1Å |
| 685 | S | 34.9 | Very low | 44.2 | Very low | 67 Ų | 67 | 92.4 Ų | 92.4 | 47% | 0.469 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.1 | -36.3 | 179.8 | 54.2 | 0 | 0 | 0 | 0 | 113 | S683 S688 E689 | S683-S685 PolarHBondContact O-N 3.48Å; S685-S688 WeakPolarHBondContact CA-OG 3.33Å; S685-S688 PolarHBondContact O-OG 3.38Å; S685-E689 WeakPolarHBondContact O-CG 3.35Å; S685-E689 PolarHBondContact O-N 3.34Å |
| 686 | K | 42.8 | Very low | 46.7 | Very low | 153 Ų | 153 | 83.2 Ų | 83.2 | 67% | 0.665 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -74.5 | -30.6 | 179.9 | -77.9 | -177 | 177.8 | 176.3 | 0 | 113.9 | S684 | S684-K686 VanDerWaalsContact C-N 3.31Å; S684-K686 PolarHBondContact O-N 2.94Å |
| 687 | L | 47 | Very low | 49.1 | Very low | 30 Ų | 30 | 78.8 Ų | 78.8 | 16% | 0.157 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -81.2 | -34 | 176.2 | -101 | 132.9 | 0 | 0 | 0 | 112.1 | F655 S684 E689 N690 L693 | F655-L687 HydrophobicContact CE1-CD1 4.41Å; F655-L687 HydrophobicContact CE2-CD1 4.34Å; F655-L687 HydrophobicContact CZ-CD1 3.56Å; S684-L687 PolarHBondContact O-N 3.41Å; L687-E689 PolarHBondContact O-N 3.34Å; L687-N690 WeakPolarHBondContact O-CB 3.46Å; L687-N690 PolarHBondContact O-N 2.9Å; L687-N690 VanDerWaalsContact O-N 3.09Å; L687-L693 HydrophobicContact CB-CD2 4.41Å; L687-L693 HydrophobicContact CD2-CD2 4.03Å; L687-L693 WeakPolarHBondContact O-CD2 3.37Å |
| 688 | S | 47.5 | Very low | 51.6 | Low | 73 Ų | 73 | 75.2 Ų | 75.2 | 51% | 0.51 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.6 | -21.8 | 173.7 | 54.1 | 0 | 0 | 0 | 0 | 113.6 | S684 S685 N690 | S684-S688 PolarHBondContact O-N 3.04Å; S684-S688 PolarHBondContact O-OG 2.94Å; S684-S688 VanDerWaalsContact O-OG 3.1Å; S685-S688 WeakPolarHBondContact CA-OG 3.33Å; S685-S688 PolarHBondContact O-OG 3.38Å; S688-N690 VanDerWaalsContact C-N 3.33Å |
| 689 | E | 53.2 | Low | 54.2 | Low | 152 Ų | 152 | 66.3 Ų | 66.3 | 71% | 0.71 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -8.3 | 175.9 | -74.8 | 176.2 | -173.3 | 0 | 0 | 113.6 | S685 L687 P691 | S685-E689 WeakPolarHBondContact O-CG 3.35Å; S685-E689 PolarHBondContact O-N 3.34Å; L687-E689 PolarHBondContact O-N 3.34Å; E689-P691 VanDerWaalsContact O-CD 3.23Å; E689-P691 WeakPolarHBondContact O-CD 3.2Å |
| 690 | N | 63.4 | Low | 56.7 | Low | 35 Ų | 35 | 57.2 Ų | 57.2 | 19% | 0.187 | 31% | 0.314 | C | S | . | . | trans | -72 | 114 | 177.5 | -170.9 | -39.1 | 0 | 0 | 0 | 110 | L687 S688 L692 L693 N694 | L687-N690 WeakPolarHBondContact O-CB 3.46Å; L687-N690 PolarHBondContact O-N 2.9Å; L687-N690 VanDerWaalsContact O-N 3.09Å; S688-N690 VanDerWaalsContact C-N 3.33Å; N690-L692 PolarHBondContact O-N 3.33Å; N690-L692 WeakPolarHBondContact OD1-CB 3.36Å; N690-L692 PolarHBondContact OD1-N 3.22Å; N690-L693 HydrophobicContact CB-CB 4.07Å; N690-L693 PolarHBondContact O-N 2.98Å; N690-L693 VanDerWaalsContact O-N 3.17Å; N690-N694 WeakPolarHBondContact O-CB 3.34Å; N690-N694 PolarHBondContact O-N 2.87Å | ||
| 691 | P | 67 | Low | 59.2 | Low | 28 Ų | 28 | 50.7 Ų | 50.7 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -24.7 | -174.9 | 25.5 | -33 | 0 | 0 | 0 | 112.9 | P556 V557 L565 E689 T695 | P556-P691 HydrophobicContact CB-CB 4.12Å; P556-P691 HydrophobicContact CB-CG 4.5Å; V557-P691 HydrophobicContact CG2-CG 3.8Å; L565-P691 HydrophobicContact CD1-CB 4.1Å; E689-P691 VanDerWaalsContact O-CD 3.23Å; E689-P691 WeakPolarHBondContact O-CD 3.2Å; P691-T695 WeakPolarHBondContact O-CB 3.28Å; P691-T695 PolarHBondContact O-N 3.09Å; P691-T695 PolarHBondContact O-OG1 2.91Å |
| 692 | L | 70 | Confident | 61.8 | Low | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72.1 | -46.6 | 175.1 | -169.7 | 146.3 | 0 | 0 | 0 | 111.2 | I553 R554 V557 L635 F636 N690 N694 T695 I696 | I553-L692 HydrophobicContact CG2-CG 4.3Å; R554-L692 HydrophobicContact CG-CD1 4.36Å; V557-L692 HydrophobicContact CG2-CB 3.92Å; V557-L692 HydrophobicContact CG2-CD1 4.45Å; L635-L692 HydrophobicContact CD2-CD1 4.42Å; L635-L692 VanDerWaalsContact O-CD1 3.24Å; L635-L692 WeakPolarHBondContact O-CD1 3.42Å; F636-L692 HydrophobicContact CD1-CD2 3.63Å; F636-L692 HydrophobicContact CE1-CD2 3.47Å; F636-L692 VanDerWaalsContact CE1-CD2 3.47Å; N690-L692 PolarHBondContact O-N 3.33Å; N690-L692 WeakPolarHBondContact OD1-CB 3.36Å; N690-L692 PolarHBondContact OD1-N 3.22Å; L692-N694 VanDerWaalsContact C-N 3.31Å; L692-N694 PolarHBondContact O-N 3.28Å; L692-T695 PolarHBondContact O-N 3.15Å; L692-I696 HydrophobicContact CD2-CD1 3.57Å; L692-I696 HydrophobicContact CD2-CG1 4.41Å; L692-I696 WeakPolarHBondContact O-CG1 3.23Å; L692-I696 PolarHBondContact O-N 3.35Å |
| 693 | L | 69.9 | Low | 63.9 | Low | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.052 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 175.3 | -171.4 | 72.4 | 0 | 0 | 0 | 110.7 | L687 N690 T695 I696 V697 I765 V769 | L687-L693 HydrophobicContact CB-CD2 4.41Å; L687-L693 HydrophobicContact CD2-CD2 4.03Å; L687-L693 WeakPolarHBondContact O-CD2 3.37Å; N690-L693 HydrophobicContact CB-CB 4.07Å; N690-L693 PolarHBondContact O-N 2.98Å; N690-L693 VanDerWaalsContact O-N 3.17Å; L693-T695 VanDerWaalsContact C-N 3.34Å; L693-T695 PolarHBondContact O-N 3.46Å; L693-I696 PolarHBondContact O-N 2.9Å; L693-V697 HydrophobicContact CG-CG2 4.41Å; L693-V697 WeakPolarHBondContact O-CB 3.4Å; L693-V697 VanDerWaalsContact O-CG2 3.3Å; L693-V697 WeakPolarHBondContact O-CG2 3.47Å; L693-V697 PolarHBondContact O-N 3.17Å; L693-I765 HydrophobicContact CD1-CG2 4.1Å; L693-V769 HydrophobicContact CD1-CG2 3.36Å |
| 694 | N | 72.7 | Confident | 65.9 | Low | 68 Ų | 68 | 43.9 Ų | 43.9 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 177.2 | -162.5 | -13.8 | 0 | 0 | 0 | 111.6 | L565 N690 L692 V697 Y698 | L565-N694 HydrophobicContact CD2-CB 4.48Å; N690-N694 WeakPolarHBondContact O-CB 3.34Å; N690-N694 PolarHBondContact O-N 2.87Å; L692-N694 VanDerWaalsContact C-N 3.31Å; L692-N694 PolarHBondContact O-N 3.28Å; N694-V697 PolarHBondContact O-N 3.4Å; N694-Y698 WeakPolarHBondContact O-CB 3.23Å; N694-Y698 PolarHBondContact O-N 2.97Å |
| 695 | T | 75.6 | Confident | 67.9 | Low | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 175.7 | -53 | 0 | 0 | 0 | 0 | 112.2 | I553 L565 L572 P691 L692 L693 Y698 L699 | I553-T695 HydrophobicContact CG1-CG2 4.12Å; I553-T695 HydrophobicContact CG2-CG2 4.05Å; L565-T695 WeakPolarHBondContact CD1-OG1 3.38Å; L572-T695 HydrophobicContact CD1-CG2 3.63Å; P691-T695 WeakPolarHBondContact O-CB 3.28Å; P691-T695 PolarHBondContact O-N 3.09Å; P691-T695 PolarHBondContact O-OG1 2.91Å; L692-T695 PolarHBondContact O-N 3.15Å; L693-T695 VanDerWaalsContact C-N 3.34Å; L693-T695 PolarHBondContact O-N 3.46Å; T695-Y698 WeakPolarHBondContact O-CB 3.41Å; T695-Y698 PolarHBondContact O-N 3.07Å; T695-L699 WeakPolarHBondContact O-CG 3.45Å; T695-L699 PolarHBondContact O-N 3.22Å |
| 696 | I | 77.3 | Confident | 70 | Confident | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.4 | -48.1 | 177.6 | -67.1 | 172.9 | 0 | 0 | 0 | 110.6 | I620 F636 L692 L693 Y698 L699 F700 V769 | I620-I696 HydrophobicContact CD1-CG2 4.3Å; F636-I696 HydrophobicContact CE1-CD1 3.97Å; F636-I696 HydrophobicContact CZ-CD1 4.08Å; L692-I696 HydrophobicContact CD2-CD1 3.57Å; L692-I696 HydrophobicContact CD2-CG1 4.41Å; L692-I696 WeakPolarHBondContact O-CG1 3.23Å; L692-I696 PolarHBondContact O-N 3.35Å; L693-I696 PolarHBondContact O-N 2.9Å; I696-Y698 VanDerWaalsContact C-N 3.3Å; I696-Y698 PolarHBondContact O-N 3.28Å; I696-L699 PolarHBondContact O-N 2.99Å; I696-F700 HydrophobicContact CG2-CD2 3.84Å; I696-F700 HydrophobicContact CG2-CE2 3.81Å; I696-F700 WeakPolarHBondContact O-CD2 2.78Å; I696-F700 PolarHBondContact O-N 3.31Å; I696-F700 VanDerWaalsContact O-N 3.1Å; I696-V769 HydrophobicContact CG2-CG1 3.9Å; I696-V769 HydrophobicContact CG2-CG2 3.84Å |
| 697 | V | 75.8 | Confident | 71.6 | Confident | 20 Ų | 20 | 34.3 Ų | 34.3 | 12% | 0.121 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.5 | -46 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 109.8 | L693 N694 L699 F700 T701 V769 L773 | L693-V697 HydrophobicContact CG-CG2 4.41Å; L693-V697 WeakPolarHBondContact O-CB 3.4Å; L693-V697 VanDerWaalsContact O-CG2 3.3Å; L693-V697 WeakPolarHBondContact O-CG2 3.47Å; L693-V697 PolarHBondContact O-N 3.17Å; N694-V697 PolarHBondContact O-N 3.4Å; V697-L699 VanDerWaalsContact C-N 3.35Å; V697-L699 PolarHBondContact O-N 2.93Å; V697-F700 PolarHBondContact O-N 3.32Å; V697-F700 VanDerWaalsContact O-N 3.13Å; V697-T701 WeakPolarHBondContact O-CG2 3.44Å; V697-T701 PolarHBondContact O-N 2.86Å; V697-V769 HydrophobicContact CG2-CG1 4.38Å; V697-L773 HydrophobicContact CG1-CD2 4Å |
| 698 | Y | 81.7 | Confident | 73 | Confident | 50 Ų | 50 | 33.5 Ų | 33.5 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.9 | -45.2 | 175.6 | 179.3 | -97.1 | 0 | 0 | 0 | 112.6 | H569 D573 N694 T695 I696 F700 T701 K702 | H569-Y698 HydrophobicContact CB-CD1 4.22Å; H569-Y698 HydrophobicContact CB-CE1 3.76Å; H569-Y698 HydrophobicContact CB-CE2 4.44Å; H569-Y698 AromaticContact CD2-CD1 3.84Å; H569-Y698 AromaticContact CE1-CG 3.77Å; H569-Y698 AromaticContact CG-CD1 3.82Å; H569-Y698 AromaticContact CG-CE1 3.88Å; H569-Y698 AromaticContact ND1-CD2 3.79Å; H569-Y698 AromaticContact ND1-CG 3.81Å; H569-Y698 AromaticContact NE2-CG 3.98Å; D573-Y698 PolarHBondContact OD1-OH 3.39Å; D573-Y698 PolarHBondContact OD2-OH 3.4Å; N694-Y698 WeakPolarHBondContact O-CB 3.23Å; N694-Y698 PolarHBondContact O-N 2.97Å; T695-Y698 WeakPolarHBondContact O-CB 3.41Å; T695-Y698 PolarHBondContact O-N 3.07Å; I696-Y698 VanDerWaalsContact C-N 3.3Å; I696-Y698 PolarHBondContact O-N 3.28Å; Y698-F700 VanDerWaalsContact C-N 3.34Å; Y698-F700 PolarHBondContact O-N 3.01Å; Y698-T701 WeakPolarHBondContact O-CB 3.23Å; Y698-T701 PolarHBondContact O-N 3.27Å; Y698-T701 VanDerWaalsContact O-N 3.15Å; Y698-T701 PolarHBondContact O-OG1 3.27Å; Y698-K702 PolarHBondContact OH-NZ 3.41Å |
| 699 | L | 81.1 | Confident | 74.4 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 176.6 | -75.6 | 170.8 | 0 | 0 | 0 | 112 | I553 L572 F579 F616 T695 I696 V697 T701 K702 C705 | I553-L699 HydrophobicContact CD1-CD1 4.12Å; L572-L699 HydrophobicContact CB-CD2 4.33Å; L572-L699 HydrophobicContact CD1-CD1 4.49Å; L572-L699 HydrophobicContact CD1-CD2 4.13Å; L572-L699 HydrophobicContact CD1-CG 4.39Å; L572-L699 HydrophobicContact CD2-CD2 4.45Å; F579-L699 HydrophobicContact CE2-CD2 4.46Å; F579-L699 HydrophobicContact CZ-CD2 4.15Å; F616-L699 HydrophobicContact CE2-CB 4.1Å; F616-L699 HydrophobicContact CE2-CD1 4.39Å; T695-L699 WeakPolarHBondContact O-CG 3.45Å; T695-L699 PolarHBondContact O-N 3.22Å; I696-L699 PolarHBondContact O-N 2.99Å; V697-L699 VanDerWaalsContact C-N 3.35Å; V697-L699 PolarHBondContact O-N 2.93Å; L699-T701 VanDerWaalsContact C-N 3.26Å; L699-T701 PolarHBondContact O-N 2.81Å; L699-K702 WeakPolarHBondContact O-CB 3.17Å; L699-K702 PolarHBondContact O-N 3.48Å; L699-K702 VanDerWaalsContact O-N 3.09Å; L699-C705 WeakPolarHBondContact O-CB 3.49Å |
| 700 | F | 78.2 | Confident | 75.4 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.8 | -15.4 | 177 | -81.9 | -72.7 | 0 | 0 | 0 | 113.8 | F616 I620 I696 V697 Y698 K702 F706 I709 I712 V769 L773 | F616-F700 HydrophobicContact CE1-CD1 4.12Å; F616-F700 AromaticContact CE1-CE1 3.58Å; F616-F700 HydrophobicContact CE1-CE1 3.58Å; F616-F700 AromaticContact CE1-CZ 3.83Å; F616-F700 HydrophobicContact CE1-CZ 3.83Å; F616-F700 AromaticContact CZ-CD1 3.95Å; F616-F700 HydrophobicContact CZ-CD1 3.95Å; F616-F700 HydrophobicContact CZ-CD2 4.2Å; F616-F700 AromaticContact CZ-CE1 3.65Å; F616-F700 HydrophobicContact CZ-CE1 3.65Å; F616-F700 AromaticContact CZ-CE2 3.91Å; F616-F700 HydrophobicContact CZ-CE2 3.91Å; F616-F700 HydrophobicContact CZ-CG 4.21Å; F616-F700 AromaticContact CZ-CZ 3.63Å; F616-F700 HydrophobicContact CZ-CZ 3.63Å; I620-F700 HydrophobicContact CD1-CE2 4.3Å; I696-F700 HydrophobicContact CG2-CD2 3.84Å; I696-F700 HydrophobicContact CG2-CE2 3.81Å; I696-F700 WeakPolarHBondContact O-CD2 2.78Å; I696-F700 PolarHBondContact O-N 3.31Å; I696-F700 VanDerWaalsContact O-N 3.1Å; V697-F700 PolarHBondContact O-N 3.32Å; V697-F700 VanDerWaalsContact O-N 3.13Å; Y698-F700 VanDerWaalsContact C-N 3.34Å; Y698-F700 PolarHBondContact O-N 3.01Å; F700-K702 PolarHBondContact O-N 3.31Å; F700-F706 WeakPolarHBondContact O-CB 3.29Å; F700-F706 WeakPolarHBondContact O-CD2 3.23Å; F700-I709 HydrophobicContact CE1-CB 4.43Å; F700-I709 HydrophobicContact CE1-CG1 4.32Å; F700-I712 HydrophobicContact CE1-CD1 3.98Å; F700-I712 HydrophobicContact CZ-CD1 3.87Å; F700-V769 HydrophobicContact CD2-CG1 3.93Å; F700-V769 HydrophobicContact CE2-CG1 4.11Å; F700-L773 HydrophobicContact CB-CD1 3.56Å; F700-L773 HydrophobicContact CB-CD2 3.35Å; F700-L773 HydrophobicContact CB-CG 4.08Å; F700-L773 HydrophobicContact CD1-CD1 4.28Å; F700-L773 HydrophobicContact CD2-CD1 4.12Å; F700-L773 HydrophobicContact CG-CD1 3.77Å; F700-L773 HydrophobicContact CG-CD2 4.42Å |
| 701 | T | 77.7 | Confident | 75.9 | Confident | 32 Ų | 32 | 26.1 Ų | 26.1 | 20% | 0.196 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -14.2 | 168.1 | 70.1 | 0 | 0 | 0 | 0 | 113 | V697 Y698 L699 I779 L782 | V697-T701 WeakPolarHBondContact O-CG2 3.44Å; V697-T701 PolarHBondContact O-N 2.86Å; Y698-T701 WeakPolarHBondContact O-CB 3.23Å; Y698-T701 PolarHBondContact O-N 3.27Å; Y698-T701 VanDerWaalsContact O-N 3.15Å; Y698-T701 PolarHBondContact O-OG1 3.27Å; L699-T701 VanDerWaalsContact C-N 3.26Å; L699-T701 PolarHBondContact O-N 2.81Å; T701-I779 HydrophobicContact CG2-CD1 4.29Å; T701-L782 WeakPolarHBondContact O-CD1 2.97Å |
| 702 | K | 81.4 | Confident | 76.3 | Confident | 40 Ų | 40 | 24.8 Ų | 24.8 | 17% | 0.174 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -85.3 | 133.5 | 179.4 | -53.6 | -68.7 | 173.2 | 162.5 | 0 | 110.2 | D573 L576 Y698 L699 F700 N704 C705 F706 | D573-K702 WeakPolarHBondContact OD1-CE 3.38Å; D573-K702 IonicContact OD1-NZ 2.57Å; D573-K702 PolarHBondContact OD1-NZ 2.79Å; D573-K702 IonicContact OD2-NZ 2.72Å; D573-K702 PolarHBondContact OD2-NZ 3.36Å; L576-K702 HydrophobicContact CD1-CB 3.76Å; L576-K702 HydrophobicContact CD1-CD 4.17Å; L576-K702 HydrophobicContact CD1-CG 3.65Å; Y698-K702 PolarHBondContact OH-NZ 3.41Å; L699-K702 WeakPolarHBondContact O-CB 3.17Å; L699-K702 PolarHBondContact O-N 3.48Å; L699-K702 VanDerWaalsContact O-N 3.09Å; F700-K702 PolarHBondContact O-N 3.31Å; K702-N704 VanDerWaalsContact C-N 3.3Å; K702-N704 PolarHBondContact O-N 2.87Å; K702-C705 PolarHBondContact O-N 3.08Å; K702-C705 VanDerWaalsContact O-N 3.14Å; K702-F706 PolarHBondContact O-N 2.68Å |
| 703 | P | 75.3 | Confident | 76.5 | Confident | 42 Ų | 42 | 24.4 Ų | 24.4 | 27% | 0.273 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -57.1 | -40.4 | -172.6 | 19.1 | -31 | 0 | 0 | 0 | 113.6 | C705 F706 I707 L782 | P703-C705 VanDerWaalsContact C-N 3.32Å; P703-C705 PolarHBondContact O-N 3.47Å; P703-F706 PolarHBondContact O-N 3.31Å; P703-I707 WeakPolarHBondContact O-CD1 3.49Å; P703-I707 VanDerWaalsContact O-CG1 3.25Å; P703-I707 WeakPolarHBondContact O-CG1 3.32Å; P703-I707 PolarHBondContact O-N 3.48Å; P703-L782 HydrophobicContact CB-CD2 3.74Å |
| 704 | N | 75.9 | Confident | 76.7 | Confident | 43 Ų | 43 | 29.2 Ų | 29.2 | 23% | 0.23 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.5 | -31.9 | -177 | -70.7 | 22.3 | 0 | 0 | 0 | 113.1 | L576 E580 K702 Q708 | L576-N704 HydrophobicContact CD2-CB 4.13Å; E580-N704 HydrophobicContact CG-CB 4.08Å; E580-N704 WeakPolarHBondContact OE1-CA 3.42Å; E580-N704 WeakPolarHBondContact OE1-CB 3.35Å; E580-N704 PolarHBondContact OE1-ND2 3.02Å; K702-N704 VanDerWaalsContact C-N 3.3Å; K702-N704 PolarHBondContact O-N 2.87Å; N704-Q708 PolarHBondContact O-NE2 3.32Å; N704-Q708 VanDerWaalsContact O-NE2 3.11Å |
| 705 | C | 78.7 | Confident | 76.6 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -84.6 | -41.1 | 176.3 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | F616 L699 K702 P703 I707 Q708 | F616-C705 HydrophobicContact CD1-CB 4.14Å; F616-C705 HydrophobicContact CD2-CB 4.39Å; F616-C705 HydrophobicContact CE1-CB 3.77Å; F616-C705 WeakPolarHBondContact CE1-O 3.48Å; F616-C705 HydrophobicContact CE2-CB 4.04Å; F616-C705 HydrophobicContact CG-CB 4.44Å; F616-C705 HydrophobicContact CZ-CB 3.71Å; L699-C705 WeakPolarHBondContact O-CB 3.49Å; K702-C705 PolarHBondContact O-N 3.08Å; K702-C705 VanDerWaalsContact O-N 3.14Å; P703-C705 VanDerWaalsContact C-N 3.32Å; P703-C705 PolarHBondContact O-N 3.47Å; C705-I707 VanDerWaalsContact C-N 3.35Å; C705-I707 PolarHBondContact O-N 3.06Å; C705-Q708 WeakPolarHBondContact O-CB 3.38Å; C705-Q708 PolarHBondContact O-N 3.39Å; C705-Q708 VanDerWaalsContact O-N 3.1Å |
| 706 | F | 78.5 | Confident | 76.4 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 2% | 0.022 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.3 | -40.2 | -178.3 | -170 | -100.3 | 0 | 0 | 0 | 113.1 | F700 K702 P703 Q708 I709 I779 L782 L783 I786 | F700-F706 WeakPolarHBondContact O-CB 3.29Å; F700-F706 WeakPolarHBondContact O-CD2 3.23Å; K702-F706 PolarHBondContact O-N 2.68Å; P703-F706 PolarHBondContact O-N 3.31Å; F706-Q708 PolarHBondContact O-N 2.97Å; F706-I709 HydrophobicContact CE2-CD1 4.2Å; F706-I709 VanDerWaalsContact O-CB 3.28Å; F706-I709 WeakPolarHBondContact O-CB 3.36Å; F706-I709 WeakPolarHBondContact O-CG2 2.94Å; F706-I709 PolarHBondContact O-N 3Å; F706-I779 HydrophobicContact CD2-CG2 4.33Å; F706-I779 HydrophobicContact CE1-CG2 4.49Å; F706-I779 HydrophobicContact CE2-CG2 3.55Å; F706-I779 HydrophobicContact CZ-CG2 3.65Å; F706-L782 HydrophobicContact CB-CD1 4.32Å; F706-L782 HydrophobicContact CD1-CB 3.63Å; F706-L782 HydrophobicContact CE1-CB 3.87Å; F706-L782 WeakPolarHBondContact CE1-O 3.45Å; F706-L782 HydrophobicContact CG-CB 4.14Å; F706-L782 HydrophobicContact CG-CD1 4.33Å; F706-L783 HydrophobicContact CE1-CD2 4.41Å; F706-L783 HydrophobicContact CZ-CD2 3.94Å; F706-I786 HydrophobicContact CD1-CG2 3.88Å; F706-I786 HydrophobicContact CE1-CD1 3.72Å; F706-I786 HydrophobicContact CE1-CG1 3.98Å; F706-I786 HydrophobicContact CE1-CG2 3.79Å; F706-I786 HydrophobicContact CZ-CD1 3.91Å |
| 707 | I | 76.6 | Confident | 76 | Confident | 75 Ų | 75 | 29.7 Ų | 29.7 | 39% | 0.385 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.8 | 178.4 | -69.3 | 162.6 | 0 | 0 | 0 | 112 | P703 C705 I709 R785 | P703-I707 WeakPolarHBondContact O-CD1 3.49Å; P703-I707 VanDerWaalsContact O-CG1 3.25Å; P703-I707 WeakPolarHBondContact O-CG1 3.32Å; P703-I707 PolarHBondContact O-N 3.48Å; C705-I707 VanDerWaalsContact C-N 3.35Å; C705-I707 PolarHBondContact O-N 3.06Å; I707-I709 VanDerWaalsContact C-N 3.32Å; I707-I709 PolarHBondContact O-N 2.8Å; I707-R785 HydrophobicContact CD1-CB 4.49Å; I707-R785 HydrophobicContact CG1-CB 4.06Å |
| 708 | Q | 75.1 | Confident | 75.6 | Confident | 13 Ų | 13 | 31.4 Ų | 31.4 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4.6 | -177.2 | -50.2 | -175.5 | 27.6 | 0 | 0 | 113.6 | F579 T614 F616 N704 C705 F706 N710 N711 I712 | F579-Q708 PolarHBondContact O-NE2 2.99Å; T614-Q708 PolarHBondContact OG1-OE1 3.4Å; F616-Q708 HydrophobicContact CD1-CB 4.16Å; F616-Q708 HydrophobicContact CD1-CG 4.47Å; N704-Q708 PolarHBondContact O-NE2 3.32Å; N704-Q708 VanDerWaalsContact O-NE2 3.11Å; C705-Q708 WeakPolarHBondContact O-CB 3.38Å; C705-Q708 PolarHBondContact O-N 3.39Å; C705-Q708 VanDerWaalsContact O-N 3.1Å; F706-Q708 PolarHBondContact O-N 2.97Å; Q708-N710 PolarHBondContact O-N 3.44Å; Q708-N711 PolarHBondContact O-N 3.18Å; Q708-N711 VanDerWaalsContact O-N 3.13Å; Q708-I712 HydrophobicContact CB-CD1 4.41Å; Q708-I712 WeakPolarHBondContact O-CG1 3.45Å; Q708-I712 PolarHBondContact O-N 2.81Å; Q708-I712 VanDerWaalsContact O-N 3.07Å |
| 709 | I | 77.9 | Confident | 74.8 | Confident | 5 Ų | 5 | 29.8 Ų | 29.8 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.8 | -41 | -173.8 | -161.5 | 168.3 | 0 | 0 | 0 | 113.3 | F700 F706 I707 N711 I712 M713 L770 L773 I786 L791 | F700-I709 HydrophobicContact CE1-CB 4.43Å; F700-I709 HydrophobicContact CE1-CG1 4.32Å; F706-I709 HydrophobicContact CE2-CD1 4.2Å; F706-I709 VanDerWaalsContact O-CB 3.28Å; F706-I709 WeakPolarHBondContact O-CB 3.36Å; F706-I709 WeakPolarHBondContact O-CG2 2.94Å; F706-I709 PolarHBondContact O-N 3Å; I707-I709 VanDerWaalsContact C-N 3.32Å; I707-I709 PolarHBondContact O-N 2.8Å; I709-N711 VanDerWaalsContact C-N 3.31Å; I709-N711 PolarHBondContact O-N 2.95Å; I709-I712 PolarHBondContact O-N 3.4Å; I709-M713 HydrophobicContact CG1-CG 4.43Å; I709-M713 WeakPolarHBondContact O-CB 3.42Å; I709-M713 WeakPolarHBondContact O-CG 3.06Å; I709-M713 PolarHBondContact O-N 2.97Å; I709-L770 HydrophobicContact CD1-CD2 3.83Å; I709-L770 HydrophobicContact CG1-CD2 4.38Å; I709-L773 HydrophobicContact CD1-CD1 4.43Å; I709-I786 HydrophobicContact CG2-CD1 4.07Å; I709-I786 HydrophobicContact CG2-CG2 4.09Å; I709-L791 HydrophobicContact CG1-CD1 4.5Å |
| 710 | N | 73.6 | Confident | 74 | Confident | 10 Ų | 10 | 30.2 Ų | 30.2 | 5% | 0.053 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.7 | -38.6 | 177.8 | -75.4 | 12.8 | 0 | 0 | 0 | 112 | Q708 K714 N787 E790 Q794 | Q708-N710 PolarHBondContact O-N 3.44Å; N710-K714 VanDerWaalsContact O-CB 3.31Å; N710-K714 WeakPolarHBondContact O-CB 3.43Å; N710-K714 PolarHBondContact O-N 3.17Å; N710-N787 PolarHBondContact ND2-N 2.95Å; N710-N787 PolarHBondContact ND2-O 3.34Å; N710-E790 PolarHBondContact ND2-OE2 3.39Å; N710-Q794 PolarHBondContact O-NE2 3.48Å; N710-Q794 VanDerWaalsContact O-NE2 3.1Å; N710-Q794 PolarHBondContact O-OE1 3.45Å |
| 711 | N | 74.6 | Confident | 73.2 | Confident | 90 Ų | 90 | 34 Ų | 34 | 48% | 0.481 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -72.2 | -40.4 | 178.6 | -72.7 | -24.6 | 0 | 0 | 0 | 111.5 | Q617 Q708 I709 K714 Y715 | Q617-N711 VanDerWaalsContact NE2-CB 3.35Å; Q708-N711 PolarHBondContact O-N 3.18Å; Q708-N711 VanDerWaalsContact O-N 3.13Å; I709-N711 VanDerWaalsContact C-N 3.31Å; I709-N711 PolarHBondContact O-N 2.95Å; N711-K714 PolarHBondContact O-N 3.4Å; N711-Y715 PolarHBondContact O-N 2.86Å |
| 712 | I | 74.9 | Confident | 72.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.4 | -47.7 | 175.9 | -65.8 | 170.4 | 0 | 0 | 0 | 110 | F616 Q617 I620 L621 W624 F700 Q708 I709 Y715 F716 F766 | F616-I712 HydrophobicContact CD1-CD1 3.82Å; F616-I712 HydrophobicContact CE1-CD1 3.53Å; F616-I712 HydrophobicContact CZ-CD1 4.46Å; Q617-I712 HydrophobicContact CG-CD1 4.38Å; Q617-I712 HydrophobicContact CG-CG1 3.8Å; I620-I712 HydrophobicContact CG2-CG2 4.03Å; L621-I712 HydrophobicContact CD2-CG2 4.15Å; W624-I712 HydrophobicContact CZ3-CG2 4.08Å; F700-I712 HydrophobicContact CE1-CD1 3.98Å; F700-I712 HydrophobicContact CZ-CD1 3.87Å; Q708-I712 HydrophobicContact CB-CD1 4.41Å; Q708-I712 WeakPolarHBondContact O-CG1 3.45Å; Q708-I712 PolarHBondContact O-N 2.81Å; Q708-I712 VanDerWaalsContact O-N 3.07Å; I709-I712 PolarHBondContact O-N 3.4Å; I712-Y715 PolarHBondContact O-N 3.48Å; I712-F716 VanDerWaalsContact O-CB 3.27Å; I712-F716 WeakPolarHBondContact O-CB 2.76Å; I712-F716 PolarHBondContact O-N 3.29Å; I712-F766 HydrophobicContact CG2-CE2 4.19Å; I712-F766 HydrophobicContact CG2-CZ 3.88Å |
| 713 | M | 75.1 | Confident | 71.2 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 176.8 | -78.8 | -65.3 | -52.2 | 0 | 0 | 112.3 | I709 Y715 F716 L717 F766 L770 L791 Q794 I795 L798 | I709-M713 HydrophobicContact CG1-CG 4.43Å; I709-M713 WeakPolarHBondContact O-CB 3.42Å; I709-M713 WeakPolarHBondContact O-CG 3.06Å; I709-M713 PolarHBondContact O-N 2.97Å; M713-Y715 PolarHBondContact O-N 3.28Å; M713-F716 WeakPolarHBondContact O-CB 2.8Å; M713-F716 PolarHBondContact O-N 3.45Å; M713-L717 VanDerWaalsContact O-CG 3.27Å; M713-L717 WeakPolarHBondContact O-CG 3.21Å; M713-L717 PolarHBondContact O-N 3.12Å; M713-F766 HydrophobicContact CG-CE1 4.42Å; M713-F766 HydrophobicContact CG-CZ 4.31Å; M713-F766 HydrophobicContact SD-CD1 4.32Å; M713-F766 HydrophobicContact SD-CE1 3.23Å; M713-F766 WeakPolarHBondContact SD-CE1 3.43Å; M713-F766 HydrophobicContact SD-CZ 3.59Å; M713-F766 VanDerWaalsContact SD-CZ 3.59Å; M713-L770 HydrophobicContact CE-CD1 4.39Å; M713-L770 HydrophobicContact SD-CD1 3.72Å; M713-L770 HydrophobicContact SD-CD2 4.25Å; M713-L791 HydrophobicContact CB-CD1 4.4Å; M713-L791 HydrophobicContact CG-CD1 3.7Å; M713-Q794 HydrophobicContact CB-CB 4.41Å; M713-Q794 HydrophobicContact CE-CB 4.4Å; M713-I795 HydrophobicContact CE-CG1 4.11Å; M713-L798 HydrophobicContact CE-CD2 4.41Å |
| 714 | K | 74.1 | Confident | 70.1 | Confident | 111 Ų | 111 | 34.2 Ų | 34.2 | 48% | 0.483 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59 | -47.4 | 175.6 | -171.1 | 174.2 | 179.8 | 176.4 | 0 | 112.4 | N710 N711 L717 I718 | N710-K714 VanDerWaalsContact O-CB 3.31Å; N710-K714 WeakPolarHBondContact O-CB 3.43Å; N710-K714 PolarHBondContact O-N 3.17Å; N711-K714 PolarHBondContact O-N 3.4Å; K714-L717 PolarHBondContact O-N 3.27Å; K714-I718 HydrophobicContact CG-CD1 4.32Å; K714-I718 WeakPolarHBondContact O-CG1 3.38Å; K714-I718 PolarHBondContact O-N 2.86Å; K714-I718 VanDerWaalsContact O-N 3.11Å |
| 715 | Y | 69.2 | Low | 68.6 | Low | 78 Ų | 78 | 37.2 Ų | 37.2 | 31% | 0.306 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68.1 | -38.9 | 179.4 | -174.4 | -94.6 | 0 | 0 | 0 | 111.8 | L621 N711 I712 M713 L717 I718 L719 | L621-Y715 HydrophobicContact CB-CD1 4.33Å; L621-Y715 HydrophobicContact CB-CE1 4.11Å; L621-Y715 HydrophobicContact CD1-CD1 3.38Å; L621-Y715 HydrophobicContact CD1-CE1 3.79Å; L621-Y715 HydrophobicContact CD1-CG 3.86Å; L621-Y715 HydrophobicContact CD2-CD1 3.52Å; L621-Y715 HydrophobicContact CD2-CE1 4.1Å; L621-Y715 HydrophobicContact CD2-CG 4.47Å; L621-Y715 HydrophobicContact CG-CD1 3.91Å; L621-Y715 HydrophobicContact CG-CE1 4.21Å; N711-Y715 PolarHBondContact O-N 2.86Å; I712-Y715 PolarHBondContact O-N 3.48Å; M713-Y715 PolarHBondContact O-N 3.28Å; Y715-L717 PolarHBondContact O-N 2.69Å; Y715-I718 PolarHBondContact O-N 2.99Å; Y715-L719 HydrophobicContact CD1-CD1 3.49Å; Y715-L719 VanDerWaalsContact CD1-CD1 3.49Å; Y715-L719 HydrophobicContact CD1-CG 4.14Å; Y715-L719 HydrophobicContact CE1-CD1 3.13Å; Y715-L719 HydrophobicContact CE1-CG 3.89Å; Y715-L719 WeakPolarHBondContact O-CG 3.32Å; Y715-L719 PolarHBondContact O-N 3.49Å |
| 716 | F | 71.6 | Confident | 66.9 | Low | 3 Ų | 3 | 42.2 Ų | 42.2 | 1% | 0.013 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.6 | -46.9 | 172.3 | 178.4 | -112.6 | 0 | 0 | 0 | 111.6 | W624 I712 M713 I718 L719 V720 I763 F766 L798 | W624-F716 AromaticContact CD2-CD2 3.64Å; W624-F716 HydrophobicContact CD2-CD2 3.64Å; W624-F716 HydrophobicContact CD2-CE2 4.08Å; W624-F716 AromaticContact CE2-CD2 3.93Å; W624-F716 AromaticContact CE2-CE2 3.94Å; W624-F716 HydrophobicContact CE3-CB 3.96Å; W624-F716 AromaticContact CE3-CD2 3.32Å; W624-F716 HydrophobicContact CE3-CD2 3.32Å; W624-F716 HydrophobicContact CE3-CE2 4.17Å; W624-F716 HydrophobicContact CE3-CG 4.05Å; W624-F716 HydrophobicContact CG-CD2 4.44Å; W624-F716 AromaticContact CH2-CD2 3.77Å; W624-F716 HydrophobicContact CH2-CD2 3.77Å; W624-F716 HydrophobicContact CH2-CE2 4.15Å; W624-F716 HydrophobicContact CH2-CG 4.32Å; W624-F716 HydrophobicContact CZ2-CD2 4.01Å; W624-F716 AromaticContact CZ2-CE2 4Å; W624-F716 HydrophobicContact CZ2-CE2 4Å; W624-F716 HydrophobicContact CZ3-CB 3.73Å; W624-F716 AromaticContact CZ3-CD2 3.41Å; W624-F716 HydrophobicContact CZ3-CD2 3.41Å; W624-F716 VanDerWaalsContact CZ3-CD2 3.41Å; W624-F716 HydrophobicContact CZ3-CE2 4.22Å; W624-F716 AromaticContact CZ3-CG 3.83Å; W624-F716 HydrophobicContact CZ3-CG 3.83Å; I712-F716 VanDerWaalsContact O-CB 3.27Å; I712-F716 WeakPolarHBondContact O-CB 2.76Å; I712-F716 PolarHBondContact O-N 3.29Å; M713-F716 WeakPolarHBondContact O-CB 2.8Å; M713-F716 PolarHBondContact O-N 3.45Å; F716-I718 PolarHBondContact O-N 2.88Å; F716-L719 PolarHBondContact O-N 3.31Å; F716-V720 HydrophobicContact CD1-CG2 4.34Å; F716-V720 HydrophobicContact CD2-CG2 4.14Å; F716-V720 HydrophobicContact CE1-CG2 4.1Å; F716-V720 HydrophobicContact CE2-CG2 3.92Å; F716-V720 HydrophobicContact CG-CG2 4.39Å; F716-V720 HydrophobicContact CZ-CG2 3.91Å; F716-V720 VanDerWaalsContact O-CG2 3.25Å; F716-V720 WeakPolarHBondContact O-CG2 3.32Å; F716-V720 PolarHBondContact O-N 2.86Å; F716-I763 HydrophobicContact CE2-CG1 4.06Å; F716-I763 HydrophobicContact CZ-CB 4.17Å; F716-I763 HydrophobicContact CZ-CG1 3.73Å; F716-I763 HydrophobicContact CZ-CG2 4.19Å; F716-F766 HydrophobicContact CB-CE1 4.4Å; F716-F766 AromaticContact CD1-CD1 3.89Å; F716-F766 HydrophobicContact CD1-CD1 3.89Å; F716-F766 AromaticContact CD1-CE1 3.84Å; F716-F766 HydrophobicContact CD1-CE1 3.84Å; F716-F766 HydrophobicContact CD2-CD1 4.38Å; F716-F766 AromaticContact CE1-CD1 3.76Å; F716-F766 HydrophobicContact CE1-CD1 3.76Å; F716-F766 HydrophobicContact CE1-CE1 4.17Å; F716-F766 HydrophobicContact CE2-CD1 4.26Å; F716-F766 HydrophobicContact CG-CD1 4.18Å; F716-F766 HydrophobicContact CG-CE1 4.05Å; F716-F766 AromaticContact CZ-CD1 3.93Å; F716-F766 HydrophobicContact CZ-CD1 3.93Å; F716-L798 HydrophobicContact CD1-CD1 4.07Å; F716-L798 HydrophobicContact CD1-CD2 4.49Å; F716-L798 HydrophobicContact CE1-CD1 3.49Å; F716-L798 VanDerWaalsContact CE1-CD1 3.49Å; F716-L798 HydrophobicContact CE1-CD2 3.82Å; F716-L798 HydrophobicContact CE1-CG 4.32Å; F716-L798 HydrophobicContact CZ-CD1 4.39Å |
| 717 | L | 69 | Low | 65.1 | Low | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.6 | -49.3 | 176.3 | -74.4 | 163.7 | 0 | 0 | 0 | 112.5 | M713 K714 Y715 L719 V720 E721 Q794 Q797 L798 I801 | M713-L717 VanDerWaalsContact O-CG 3.27Å; M713-L717 WeakPolarHBondContact O-CG 3.21Å; M713-L717 PolarHBondContact O-N 3.12Å; K714-L717 PolarHBondContact O-N 3.27Å; Y715-L717 PolarHBondContact O-N 2.69Å; L717-L719 PolarHBondContact O-N 3.46Å; L717-V720 PolarHBondContact O-N 2.96Å; L717-V720 VanDerWaalsContact O-N 3.15Å; L717-E721 WeakPolarHBondContact O-CB 3.48Å; L717-E721 WeakPolarHBondContact O-CG 3.22Å; L717-E721 PolarHBondContact O-N 3.43Å; L717-Q794 HydrophobicContact CD1-CB 3.48Å; L717-Q794 VanDerWaalsContact CD1-CB 3.48Å; L717-Q794 HydrophobicContact CD1-CG 3.6Å; L717-Q794 WeakPolarHBondContact CD1-O 3.36Å; L717-Q797 HydrophobicContact CD1-CB 4.21Å; L717-Q797 HydrophobicContact CD2-CB 3.92Å; L717-L798 VanDerWaalsContact CD2-CA 3.5Å; L717-L798 HydrophobicContact CD2-CB 3.69Å; L717-L798 HydrophobicContact CD2-CD1 4.06Å; L717-L798 HydrophobicContact CD2-CG 4.48Å; L717-L798 VanDerWaalsContact CD2-N 3.29Å; L717-I801 HydrophobicContact CD2-CD1 3.55Å |
| 718 | I | 67.6 | Low | 63 | Low | 57 Ų | 57 | 45.3 Ų | 45.3 | 29% | 0.292 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.4 | -40.3 | 177.9 | -68.3 | 165.4 | 0 | 0 | 0 | 110.9 | K714 Y715 F716 N722 | K714-I718 HydrophobicContact CG-CD1 4.32Å; K714-I718 WeakPolarHBondContact O-CG1 3.38Å; K714-I718 PolarHBondContact O-N 2.86Å; K714-I718 VanDerWaalsContact O-N 3.11Å; Y715-I718 PolarHBondContact O-N 2.99Å; F716-I718 PolarHBondContact O-N 2.88Å; I718-N722 WeakPolarHBondContact CG2-ND2 3.42Å; I718-N722 VanDerWaalsContact O-CB 3.29Å; I718-N722 WeakPolarHBondContact O-CB 3.48Å; I718-N722 PolarHBondContact O-N 2.98Å; I718-N722 PolarHBondContact O-ND2 3.22Å |
| 719 | L | 64.2 | Low | 60.8 | Low | 16 Ų | 16 | 49 Ų | 49 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.4 | -41 | 177.7 | -76.2 | 174.5 | 0 | 0 | 0 | 112.9 | W624 Y715 F716 L717 N722 N723 | W624-L719 HydrophobicContact CB-CD1 3.49Å; W624-L719 VanDerWaalsContact CB-CD1 3.49Å; W624-L719 WeakPolarHBondContact O-CD1 3.46Å; Y715-L719 HydrophobicContact CD1-CD1 3.49Å; Y715-L719 VanDerWaalsContact CD1-CD1 3.49Å; Y715-L719 HydrophobicContact CD1-CG 4.14Å; Y715-L719 HydrophobicContact CE1-CD1 3.13Å; Y715-L719 HydrophobicContact CE1-CG 3.89Å; Y715-L719 WeakPolarHBondContact O-CG 3.32Å; Y715-L719 PolarHBondContact O-N 3.49Å; F716-L719 PolarHBondContact O-N 3.31Å; L717-L719 PolarHBondContact O-N 3.46Å; L719-N722 PolarHBondContact O-N 3.36Å; L719-N723 VanDerWaalsContact O-CB 3.24Å; L719-N723 WeakPolarHBondContact O-CB 3.46Å; L719-N723 PolarHBondContact O-N 2.74Å; L719-N723 PolarHBondContact O-ND2 3.14Å |
| 720 | V | 64.2 | Low | 58.6 | Low | 10 Ų | 10 | 52.6 Ų | 52.6 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -44 | 176 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | F716 L717 N723 I724 I763 L798 I801 L802 | F716-V720 HydrophobicContact CD1-CG2 4.34Å; F716-V720 HydrophobicContact CD2-CG2 4.14Å; F716-V720 HydrophobicContact CE1-CG2 4.1Å; F716-V720 HydrophobicContact CE2-CG2 3.92Å; F716-V720 HydrophobicContact CG-CG2 4.39Å; F716-V720 HydrophobicContact CZ-CG2 3.91Å; F716-V720 VanDerWaalsContact O-CG2 3.25Å; F716-V720 WeakPolarHBondContact O-CG2 3.32Å; F716-V720 PolarHBondContact O-N 2.86Å; L717-V720 PolarHBondContact O-N 2.96Å; L717-V720 VanDerWaalsContact O-N 3.15Å; V720-N723 PolarHBondContact O-N 2.82Å; V720-I724 HydrophobicContact CG1-CD1 3.65Å; V720-I724 WeakPolarHBondContact O-CD1 3.48Å; V720-I724 WeakPolarHBondContact O-CG1 3.4Å; V720-I724 PolarHBondContact O-N 2.99Å; V720-I763 HydrophobicContact CG2-CD1 4.43Å; V720-I763 HydrophobicContact CG2-CG1 4.44Å; V720-L798 HydrophobicContact CG2-CD1 4.5Å; V720-I801 HydrophobicContact CB-CG2 4.49Å; V720-I801 HydrophobicContact CG1-CG2 3.62Å; V720-L802 HydrophobicContact CG1-CD2 4.02Å |
| 721 | E | 63.1 | Low | 56.6 | Low | 79 Ų | 79 | 59.6 Ų | 59.6 | 37% | 0.369 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.8 | -52.9 | 173.4 | -74.3 | -178.7 | 163.8 | 0 | 0 | 111.6 | L717 N723 I724 M725 I801 | L717-E721 WeakPolarHBondContact O-CB 3.48Å; L717-E721 WeakPolarHBondContact O-CG 3.22Å; L717-E721 PolarHBondContact O-N 3.43Å; E721-N723 PolarHBondContact O-N 3.39Å; E721-I724 PolarHBondContact O-N 3.34Å; E721-M725 WeakPolarHBondContact O-CB 3.41Å; E721-M725 VanDerWaalsContact O-CG 3.22Å; E721-M725 WeakPolarHBondContact O-CG 3.45Å; E721-M725 PolarHBondContact O-N 3.28Å; E721-I801 HydrophobicContact CG-CD1 3.38Å; E721-I801 HydrophobicContact CG-CG1 3.72Å; E721-I801 HydrophobicContact CG-CG2 4.23Å; E721-I801 WeakPolarHBondContact OE1-CD1 3.28Å |
| 722 | N | 59.9 | Low | 54.6 | Low | 56 Ų | 56 | 61.4 Ų | 61.4 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.1 | -39 | -178.9 | -75.8 | -34.9 | 0 | 0 | 0 | 112.7 | I718 L719 N726 | I718-N722 WeakPolarHBondContact CG2-ND2 3.42Å; I718-N722 VanDerWaalsContact O-CB 3.29Å; I718-N722 WeakPolarHBondContact O-CB 3.48Å; I718-N722 PolarHBondContact O-N 2.98Å; I718-N722 PolarHBondContact O-ND2 3.22Å; L719-N722 PolarHBondContact O-N 3.36Å; N722-N726 VanDerWaalsContact O-CB 3.24Å; N722-N726 WeakPolarHBondContact O-CB 3.38Å; N722-N726 VanDerWaalsContact O-CG 3.23Å; N722-N726 PolarHBondContact O-N 2.73Å; N722-N726 PolarHBondContact O-ND2 2.91Å; N722-N726 VanDerWaalsContact O-ND2 3.15Å |
| 723 | N | 55.9 | Low | 52.4 | Low | 30 Ų | 30 | 68.3 Ų | 68.3 | 16% | 0.16 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71.4 | -32 | -179.8 | -75.6 | -24.5 | 0 | 0 | 0 | 112.2 | N626 L719 V720 E721 | N626-N723 PolarHBondContact ND2-OD1 3.19Å; L719-N723 VanDerWaalsContact O-CB 3.24Å; L719-N723 WeakPolarHBondContact O-CB 3.46Å; L719-N723 PolarHBondContact O-N 2.74Å; L719-N723 PolarHBondContact O-ND2 3.14Å; V720-N723 PolarHBondContact O-N 2.82Å; E721-N723 PolarHBondContact O-N 3.39Å |
| 724 | I | 52.9 | Low | 50.4 | Low | 33 Ų | 33 | 77.2 Ų | 77.2 | 17% | 0.169 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -79.2 | -38.7 | 175.6 | -60.1 | 164.2 | 0 | 0 | 0 | 110.9 | V720 E721 K727 I801 N805 | V720-I724 HydrophobicContact CG1-CD1 3.65Å; V720-I724 WeakPolarHBondContact O-CD1 3.48Å; V720-I724 WeakPolarHBondContact O-CG1 3.4Å; V720-I724 PolarHBondContact O-N 2.99Å; E721-I724 PolarHBondContact O-N 3.34Å; I724-K727 WeakPolarHBondContact O-CB 3.22Å; I724-K727 PolarHBondContact O-N 3.29Å; I724-I801 HydrophobicContact CD1-CG2 3.5Å; I724-N805 HydrophobicContact CB-CB 4.37Å; I724-N805 HydrophobicContact CG2-CB 3.35Å |
| 725 | M | 44.9 | Very low | 48.3 | Very low | 106 Ų | 106 | 79.3 Ų | 79.3 | 52% | 0.522 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71.7 | -32 | 177.3 | -67.2 | -68 | -82.1 | 0 | 0 | 113 | E721 K727 S728 | E721-M725 WeakPolarHBondContact O-CB 3.41Å; E721-M725 VanDerWaalsContact O-CG 3.22Å; E721-M725 WeakPolarHBondContact O-CG 3.45Å; E721-M725 PolarHBondContact O-N 3.28Å; M725-K727 PolarHBondContact O-N 3.41Å; M725-S728 PolarHBondContact O-N 3.17Å; M725-S728 VanDerWaalsContact O-N 3.14Å; M725-S728 PolarHBondContact O-OG 3.03Å |
| 726 | N | 43 | Very low | 46.3 | Very low | 105 Ų | 105 | 82.3 Ų | 82.3 | 56% | 0.561 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -69.7 | -14.9 | 174.8 | -78.3 | -31.1 | 0 | 0 | 0 | 113.5 | N722 S728 | N722-N726 VanDerWaalsContact O-CB 3.24Å; N722-N726 WeakPolarHBondContact O-CB 3.38Å; N722-N726 VanDerWaalsContact O-CG 3.23Å; N722-N726 PolarHBondContact O-N 2.73Å; N722-N726 PolarHBondContact O-ND2 2.91Å; N722-N726 VanDerWaalsContact O-ND2 3.15Å; N726-S728 VanDerWaalsContact C-N 3.34Å |
| 727 | K | 40.2 | Very low | 44.2 | Very low | 83 Ų | 83 | 88 Ų | 88 | 36% | 0.361 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -76.1 | -18.1 | 171.4 | -77.8 | 179.5 | 176.1 | 178.3 | 0 | 113.3 | I724 M725 | I724-K727 WeakPolarHBondContact O-CB 3.22Å; I724-K727 PolarHBondContact O-N 3.29Å; M725-K727 PolarHBondContact O-N 3.41Å |
| 728 | S | 31.8 | Very low | 42.2 | Very low | 62 Ų | 62 | 93.7 Ų | 93.7 | 43% | 0.434 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -90.9 | -19.9 | 178.7 | 55.7 | 0 | 0 | 0 | 0 | 114 | M725 N726 | M725-S728 PolarHBondContact O-N 3.17Å; M725-S728 VanDerWaalsContact O-N 3.14Å; M725-S728 PolarHBondContact O-OG 3.03Å; N726-S728 VanDerWaalsContact C-N 3.34Å |
| 729 | C | 28.8 | Very low | 40.3 | Very low | 90 Ų | 90 | 96.4 Ų | 96.4 | 61% | 0.608 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -96.4 | -13.2 | -177.1 | -80.4 | 0 | 0 | 0 | 0 | 115.9 | H731 | C729-H731 VanDerWaalsContact C-N 3.35Å; C729-H731 PolarHBondContact O-N 2.95Å |
| 730 | S | 32.2 | Very low | 38.7 | Very low | 81 Ų | 81 | 104.7 Ų | 104.7 | 57% | 0.566 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -1.9 | -174.9 | 57.2 | 0 | 0 | 0 | 0 | 115.4 | ||
| 731 | H | 32.5 | Very low | 36.9 | Very low | 157 Ų | 157 | 110.7 Ų | 110.7 | 73% | 0.727 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 1.7 | -178.9 | -88.3 | -67.1 | 0 | 0 | 0 | 115.3 | C729 | C729-H731 VanDerWaalsContact C-N 3.35Å; C729-H731 PolarHBondContact O-N 2.95Å |
| 732 | I | 31.8 | Very low | 35.2 | Very low | 129 Ų | 129 | 113.3 Ų | 113.3 | 66% | 0.662 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -105.9 | -16.5 | -171.4 | -63.3 | 175.5 | 0 | 0 | 0 | 114 | ||
| 733 | D | 29.6 | Very low | 33.5 | Very low | 145 Ų | 145 | 117.3 Ų | 117.3 | 78% | 0.775 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 11.6 | -171.5 | -74.7 | -14.4 | 0 | 0 | 0 | 116.5 | ||
| 734 | H | 33.1 | Very low | 32.1 | Very low | 187 Ų | 187 | 123.8 Ų | 123.8 | 87% | 0.866 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 11.7 | 177.3 | -84.1 | -53.2 | 0 | 0 | 0 | 115.8 | ||
| 735 | L | 28.4 | Very low | 30.9 | Very low | 155 Ų | 155 | 128.3 Ų | 128.3 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -124.2 | 72 | 176.1 | -79.9 | 154.6 | 0 | 0 | 0 | 110.3 | ||
| 736 | T | 27.8 | Very low | 29.9 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 86% | 0.859 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 167.3 | 87.4 | 149.3 | 34.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 737 | S | 28 | Very low | 29.1 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | 174.8 | 132.5 | 127.6 | 72.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 738 | T | 27.5 | Very low | 28.4 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -69.8 | 144.6 | -176.2 | 38.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 739 | T | 26.6 | Very low | 28.2 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 60.9 | 102.6 | 147.9 | 57.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 740 | H | 30.9 | Very low | 28 | Very low | 190 Ų | 190 | 137.4 Ų | 137.4 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | -157.4 | 116.9 | 122.2 | -91 | -58.9 | 0 | 0 | 0 | 110.7 | |||||
| 741 | T | 25.6 | Very low | 27.9 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | trans | -68.7 | 119.8 | 171.5 | 40.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 742 | T | 28.1 | Very low | 27.8 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -155.8 | 111.5 | 142.4 | 28.6 | 0 | 0 | 0 | 0 | 109.7 | I744 | T742-I744 PolarHBondContact O-N 3.35Š| ||
| 743 | T | 23.9 | Very low | 27.8 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | -37.5 | 114.1 | 162.4 | 29 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 744 | I | 26.9 | Very low | 27.8 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | trans | -129.2 | 126.9 | 144.8 | -61.7 | -179.2 | 0 | 0 | 0 | 107.3 | T742 | T742-I744 PolarHBondContact O-N 3.35Š| ||
| 745 | T | 26.8 | Very low | 28.2 | Very low | 128 Ų | 128 | 130 Ų | 130 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | -67.7 | 135.9 | -167 | 39.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 746 | N | 23.8 | Very low | 28.7 | Very low | 130 Ų | 130 | 124.1 Ų | 124.1 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | trans | -22.7 | 123.7 | 160.4 | -59.2 | -18 | 0 | 0 | 0 | 117.8 | ||||
| 747 | T | 27.7 | Very low | 29.4 | Very low | 154 Ų | 154 | 119.9 Ų | 119.9 | 95% | 0.945 | 68% | 0.682 | S | S | * | * | -141.3 | 98.3 | 115 | 35.4 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 748 | T | 24.7 | Very low | 30.2 | Very low | 89 Ų | 89 | 116.1 Ų | 116.1 | 55% | 0.546 | 65% | 0.652 | S | S | . | * | trans | -109.4 | 144.9 | -159.2 | 38.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 749 | N | 26.6 | Very low | 31.3 | Very low | 150 Ų | 150 | 112.8 Ų | 112.8 | 80% | 0.802 | 63% | 0.628 | S | S | * | * | trans | 83 | 59.9 | 147.1 | -58.2 | -9.4 | 0 | 0 | 0 | 120.4 | ||||
| 750 | I | 25.4 | Very low | 32.6 | Very low | 113 Ų | 113 | 109.5 Ų | 109.5 | 58% | 0.579 | 61% | 0.605 | S | S | * | * | trans | -123.1 | -8.3 | 164.2 | -64.1 | -179.9 | 0 | 0 | 0 | 113.7 | Q754 | I750-Q754 VanDerWaalsContact CG2-CD 3.44Å; I750-Q754 HydrophobicContact CG2-CG 4.38Å; I750-Q754 VanDerWaalsContact CG2-NE2 3.29Å | ||
| 751 | T | 30.2 | Very low | 33.7 | Very low | 98 Ų | 98 | 102.5 Ų | 102.5 | 60% | 0.601 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -5.1 | -155.8 | 48.6 | 0 | 0 | 0 | 0 | 118.7 | H755 | T751-H755 PolarHBondContact O-CD2 2.95Š|
| 752 | N | 31.4 | Very low | 35.3 | Very low | 135 Ų | 135 | 96.7 Ų | 96.7 | 72% | 0.722 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -24.6 | -175.2 | -80.8 | 2 | 0 | 0 | 0 | 115.6 | ||
| 753 | N | 29.9 | Very low | 37 | Very low | 135 Ų | 135 | 91.5 Ų | 91.5 | 72% | 0.722 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -33.7 | 179.7 | -74.4 | -5.4 | 0 | 0 | 0 | 113 | H755 T756 | N753-H755 PolarHBondContact O-N 3.45Å; N753-T756 PolarHBondContact O-N 2.98Å; N753-T756 VanDerWaalsContact O-N 3.14Å; N753-T756 PolarHBondContact O-OG1 2.91Å |
| 754 | Q | 31.4 | Very low | 38.7 | Very low | 78 Ų | 78 | 88.2 Ų | 88.2 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.1 | -35.2 | -177.1 | -69.5 | -178.7 | -27.2 | 0 | 0 | 113.7 | I750 T756 S757 I758 | I750-Q754 VanDerWaalsContact CG2-CD 3.44Å; I750-Q754 HydrophobicContact CG2-CG 4.38Å; I750-Q754 VanDerWaalsContact CG2-NE2 3.29Å; Q754-T756 PolarHBondContact O-N 3.31Å; Q754-S757 PolarHBondContact O-OG 3.08Å; Q754-I758 WeakPolarHBondContact O-CD1 3.38Å; Q754-I758 WeakPolarHBondContact O-CG1 3.37Å |
| 755 | H | 40.2 | Very low | 40.6 | Very low | 98 Ų | 98 | 81.2 Ų | 81.2 | 45% | 0.454 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68 | -22.5 | 176.9 | -83 | -64.5 | 0 | 0 | 0 | 113 | T751 N753 Q759 | T751-H755 PolarHBondContact O-CD2 2.95Å; N753-H755 PolarHBondContact O-N 3.45Å; H755-Q759 WeakPolarHBondContact O-CG 3.23Å |
| 756 | T | 39.8 | Very low | 42.6 | Very low | 31 Ų | 31 | 75.5 Ų | 75.5 | 19% | 0.19 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -80.9 | -38.9 | -177 | 68.7 | 0 | 0 | 0 | 0 | 112.7 | N753 Q754 H760 | N753-T756 PolarHBondContact O-N 2.98Å; N753-T756 VanDerWaalsContact O-N 3.14Å; N753-T756 PolarHBondContact O-OG1 2.91Å; Q754-T756 PolarHBondContact O-N 3.31Å; T756-H760 PolarHBondContact O-N 3.42Å; T756-H760 PolarHBondContact O-ND1 3.13Å |
| 757 | S | 41.8 | Very low | 44.6 | Very low | 51 Ų | 51 | 69.3 Ų | 69.3 | 36% | 0.357 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.3 | -45.4 | 178.6 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | Q754 Q759 H760 I761 | Q754-S757 PolarHBondContact O-OG 3.08Å; S757-Q759 VanDerWaalsContact C-N 3.31Å; S757-Q759 PolarHBondContact O-N 3.36Å; S757-H760 PolarHBondContact O-N 3.09Å; S757-H760 VanDerWaalsContact O-N 3.15Å; S757-I761 WeakPolarHBondContact O-CG1 3.37Å; S757-I761 PolarHBondContact O-N 3.37Å; S757-I761 VanDerWaalsContact O-N 3.14Å |
| 758 | I | 44.8 | Very low | 46.5 | Very low | 45 Ų | 45 | 63.4 Ų | 63.4 | 23% | 0.231 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.2 | -40.7 | -179 | -64 | 169.7 | 0 | 0 | 0 | 111.2 | Q754 H760 I761 H762 | Q754-I758 WeakPolarHBondContact O-CD1 3.38Å; Q754-I758 WeakPolarHBondContact O-CG1 3.37Å; I758-H760 PolarHBondContact O-N 3.38Å; I758-I761 PolarHBondContact O-N 3Å; I758-H762 WeakPolarHBondContact CG2-CE1 3.34Å; I758-H762 VanDerWaalsContact O-CG 3.23Å; I758-H762 PolarHBondContact O-N 3.12Å |
| 759 | Q | 51.8 | Low | 48.7 | Very low | 53 Ų | 53 | 59.3 Ų | 59.3 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 177.8 | -74 | 174 | -4.7 | 0 | 0 | 112.7 | H755 S757 H762 I763 | H755-Q759 WeakPolarHBondContact O-CG 3.23Å; S757-Q759 VanDerWaalsContact C-N 3.31Å; S757-Q759 PolarHBondContact O-N 3.36Å; Q759-H762 PolarHBondContact O-N 3.21Å; Q759-I763 WeakPolarHBondContact O-CD1 3.27Å; Q759-I763 VanDerWaalsContact O-CG1 3.26Å; Q759-I763 WeakPolarHBondContact O-CG1 3.05Å; Q759-I763 PolarHBondContact O-N 3.24Å |
| 760 | H | 52.6 | Low | 50.9 | Low | 45 Ų | 45 | 52.7 Ų | 52.7 | 21% | 0.208 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 176.8 | -70.4 | 95.8 | 0 | 0 | 0 | 112 | T756 S757 I758 I763 R764 Q806 I838 | T756-H760 PolarHBondContact O-N 3.42Å; T756-H760 PolarHBondContact O-ND1 3.13Å; S757-H760 PolarHBondContact O-N 3.09Å; S757-H760 VanDerWaalsContact O-N 3.15Å; I758-H760 PolarHBondContact O-N 3.38Å; H760-I763 PolarHBondContact O-N 2.8Å; H760-R764 WeakPolarHBondContact O-CG 3.4Å; H760-R764 PolarHBondContact O-N 2.62Å; H760-R764 VanDerWaalsContact O-N 3.1Å; H760-Q806 PolarHBondContact NE2-NE2 3.45Å; H760-I838 VanDerWaalsContact CD2-CD1 3.4Å; H760-I838 WeakPolarHBondContact CD2-CD1 3.24Å |
| 761 | I | 54.7 | Low | 53 | Low | 44 Ų | 44 | 48.5 Ų | 48.5 | 23% | 0.226 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 175.4 | -66.9 | 167 | 0 | 0 | 0 | 110.1 | E639 F651 S757 I758 I763 R764 I765 | E639-I761 WeakPolarHBondContact OE1-CD1 3.39Å; F651-I761 HydrophobicContact CD1-CG2 3.97Å; F651-I761 HydrophobicContact CE1-CG2 4.17Å; S757-I761 WeakPolarHBondContact O-CG1 3.37Å; S757-I761 PolarHBondContact O-N 3.37Å; S757-I761 VanDerWaalsContact O-N 3.14Å; I758-I761 PolarHBondContact O-N 3Å; I761-I763 PolarHBondContact O-N 3.36Å; I761-R764 PolarHBondContact O-N 3.34Å; I761-I765 HydrophobicContact CG2-CD1 3.69Å; I761-I765 HydrophobicContact CG2-CG1 4.4Å; I761-I765 VanDerWaalsContact O-CG1 3.29Å; I761-I765 WeakPolarHBondContact O-CG1 3.25Å; I761-I765 PolarHBondContact O-N 3.43Å |
| 762 | H | 59.8 | Low | 55 | Low | 13 Ų | 13 | 45.7 Ų | 45.7 | 6% | 0.06 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 178.5 | -68.2 | 169.6 | 0 | 0 | 0 | 113.4 | F636 I758 Q759 R764 I765 F766 | F636-H762 AromaticContact CD2-CD2 3.46Å; F636-H762 VanDerWaalsContact CD2-CD2 3.46Å; F636-H762 WeakPolarHBondContact CD2-CD2 3.46Å; F636-H762 AromaticContact CD2-NE2 3.54Å; F636-H762 AromaticContact CG-CD2 3.99Å; I758-H762 WeakPolarHBondContact CG2-CE1 3.34Å; I758-H762 VanDerWaalsContact O-CG 3.23Å; I758-H762 PolarHBondContact O-N 3.12Å; Q759-H762 PolarHBondContact O-N 3.21Å; H762-R764 VanDerWaalsContact C-N 3.35Å; H762-I765 PolarHBondContact O-N 3.37Å; H762-F766 PolarHBondContact O-N 3.27Å; H762-F766 VanDerWaalsContact O-N 3.1Å |
| 763 | I | 61.9 | Low | 56.9 | Low | 25 Ų | 25 | 39.5 Ų | 39.5 | 13% | 0.128 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 175.5 | -67.9 | 160.3 | 0 | 0 | 0 | 110.4 | F716 V720 Q759 H760 I761 F766 I767 L802 | F716-I763 HydrophobicContact CE2-CG1 4.06Å; F716-I763 HydrophobicContact CZ-CB 4.17Å; F716-I763 HydrophobicContact CZ-CG1 3.73Å; F716-I763 HydrophobicContact CZ-CG2 4.19Å; V720-I763 HydrophobicContact CG2-CD1 4.43Å; V720-I763 HydrophobicContact CG2-CG1 4.44Å; Q759-I763 WeakPolarHBondContact O-CD1 3.27Å; Q759-I763 VanDerWaalsContact O-CG1 3.26Å; Q759-I763 WeakPolarHBondContact O-CG1 3.05Å; Q759-I763 PolarHBondContact O-N 3.24Å; H760-I763 PolarHBondContact O-N 2.8Å; I761-I763 PolarHBondContact O-N 3.36Å; I763-F766 PolarHBondContact O-N 3.09Å; I763-I767 HydrophobicContact CG2-CD1 3.78Å; I763-I767 VanDerWaalsContact O-CG1 3.32Å; I763-I767 WeakPolarHBondContact O-CG1 3.38Å; I763-I767 PolarHBondContact O-N 3.44Å; I763-I767 VanDerWaalsContact O-N 3.09Å; I763-L802 HydrophobicContact CD1-CD2 4.01Å; I763-L802 HydrophobicContact CG2-CD1 3.99Å; I763-L802 HydrophobicContact CG2-CD2 4.12Å |
| 764 | R | 61.6 | Low | 58.7 | Low | 72 Ų | 72 | 34 Ų | 34 | 27% | 0.272 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.6 | -46.6 | 178.1 | -72.1 | -177.4 | -170.2 | -160.8 | 5.4 | 112.4 | H760 I761 H762 F766 I767 H768 L837 V842 | H760-R764 WeakPolarHBondContact O-CG 3.4Å; H760-R764 PolarHBondContact O-N 2.62Å; H760-R764 VanDerWaalsContact O-N 3.1Å; I761-R764 PolarHBondContact O-N 3.34Å; H762-R764 VanDerWaalsContact C-N 3.35Å; R764-F766 VanDerWaalsContact C-N 3.29Å; R764-F766 PolarHBondContact O-N 2.6Å; R764-I767 PolarHBondContact O-N 2.98Å; R764-H768 PolarHBondContact O-CD2 3.29Å; R764-H768 PolarHBondContact O-N 3.42Å; R764-L837 PolarHBondContact NH2-O 3.14Å; R764-V842 HydrophobicContact CG-CG2 3.81Å |
| 765 | I | 64.9 | Low | 60.4 | Low | 18 Ų | 18 | 36 Ų | 36 | 9% | 0.092 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 179.7 | -67.2 | 164.3 | 0 | 0 | 0 | 110.4 | F636 F651 L693 I761 H762 H768 V769 | F636-I765 HydrophobicContact CD1-CD1 3.7Å; F636-I765 HydrophobicContact CD1-CG2 4.25Å; F636-I765 HydrophobicContact CE1-CB 4.41Å; F636-I765 HydrophobicContact CE1-CD1 4.05Å; F636-I765 HydrophobicContact CE1-CG2 3.52Å; F636-I765 HydrophobicContact CG-CD1 4.07Å; F636-I765 HydrophobicContact CZ-CG2 3.92Å; F651-I765 HydrophobicContact CD1-CD1 4.43Å; F651-I765 HydrophobicContact CE1-CD1 3.64Å; F651-I765 HydrophobicContact CZ-CD1 4.41Å; L693-I765 HydrophobicContact CD1-CG2 4.1Å; I761-I765 HydrophobicContact CG2-CD1 3.69Å; I761-I765 HydrophobicContact CG2-CG1 4.4Å; I761-I765 VanDerWaalsContact O-CG1 3.29Å; I761-I765 WeakPolarHBondContact O-CG1 3.25Å; I761-I765 PolarHBondContact O-N 3.43Å; H762-I765 PolarHBondContact O-N 3.37Å; I765-H768 WeakPolarHBondContact O-CB 3.29Å; I765-H768 PolarHBondContact O-N 2.87Å; I765-V769 WeakPolarHBondContact O-CG2 3.42Å; I765-V769 PolarHBondContact O-N 2.83Å |
| 766 | F | 68.9 | Low | 61.7 | Low | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.8 | -39.2 | -179.9 | -172.1 | -127 | 0 | 0 | 0 | 113.1 | W624 I712 M713 F716 H762 I763 R764 H768 V769 L770 | W624-F766 HydrophobicContact CH2-CB 3.98Å; W624-F766 AromaticContact CH2-CD1 3.7Å; W624-F766 HydrophobicContact CH2-CD1 3.7Å; W624-F766 AromaticContact CH2-CD2 3.47Å; W624-F766 HydrophobicContact CH2-CD2 3.47Å; W624-F766 VanDerWaalsContact CH2-CD2 3.47Å; W624-F766 AromaticContact CH2-CE1 3.91Å; W624-F766 HydrophobicContact CH2-CE1 3.91Å; W624-F766 AromaticContact CH2-CE2 3.74Å; W624-F766 HydrophobicContact CH2-CE2 3.74Å; W624-F766 AromaticContact CH2-CG 3.44Å; W624-F766 HydrophobicContact CH2-CG 3.44Å; W624-F766 VanDerWaalsContact CH2-CG 3.44Å; W624-F766 AromaticContact CH2-CZ 3.96Å; W624-F766 HydrophobicContact CH2-CZ 3.96Å; W624-F766 HydrophobicContact CZ2-CB 3.78Å; W624-F766 HydrophobicContact CZ2-CD1 4.28Å; W624-F766 HydrophobicContact CZ2-CD2 4.04Å; W624-F766 AromaticContact CZ2-CG 3.8Å; W624-F766 HydrophobicContact CZ2-CG 3.8Å; W624-F766 HydrophobicContact CZ3-CD1 4.46Å; W624-F766 HydrophobicContact CZ3-CE1 4.33Å; W624-F766 HydrophobicContact CZ3-CE2 4.49Å; W624-F766 HydrophobicContact CZ3-CZ 4.38Å; I712-F766 HydrophobicContact CG2-CE2 4.19Å; I712-F766 HydrophobicContact CG2-CZ 3.88Å; M713-F766 HydrophobicContact CG-CE1 4.42Å; M713-F766 HydrophobicContact CG-CZ 4.31Å; M713-F766 HydrophobicContact SD-CD1 4.32Å; M713-F766 HydrophobicContact SD-CE1 3.23Å; M713-F766 WeakPolarHBondContact SD-CE1 3.43Å; M713-F766 HydrophobicContact SD-CZ 3.59Å; M713-F766 VanDerWaalsContact SD-CZ 3.59Å; F716-F766 HydrophobicContact CB-CE1 4.4Å; F716-F766 AromaticContact CD1-CD1 3.89Å; F716-F766 HydrophobicContact CD1-CD1 3.89Å; F716-F766 AromaticContact CD1-CE1 3.84Å; F716-F766 HydrophobicContact CD1-CE1 3.84Å; F716-F766 HydrophobicContact CD2-CD1 4.38Å; F716-F766 AromaticContact CE1-CD1 3.76Å; F716-F766 HydrophobicContact CE1-CD1 3.76Å; F716-F766 HydrophobicContact CE1-CE1 4.17Å; F716-F766 HydrophobicContact CE2-CD1 4.26Å; F716-F766 HydrophobicContact CG-CD1 4.18Å; F716-F766 HydrophobicContact CG-CE1 4.05Å; F716-F766 AromaticContact CZ-CD1 3.93Å; F716-F766 HydrophobicContact CZ-CD1 3.93Å; H762-F766 PolarHBondContact O-N 3.27Å; H762-F766 VanDerWaalsContact O-N 3.1Å; I763-F766 PolarHBondContact O-N 3.09Å; R764-F766 VanDerWaalsContact C-N 3.29Å; R764-F766 PolarHBondContact O-N 2.6Å; F766-H768 VanDerWaalsContact C-N 3.29Å; F766-H768 PolarHBondContact O-N 2.67Å; F766-V769 WeakPolarHBondContact O-CB 3.09Å; F766-V769 PolarHBondContact O-N 3.13Å; F766-V769 VanDerWaalsContact O-N 3.13Å; F766-L770 HydrophobicContact CD1-CD1 4.42Å; F766-L770 HydrophobicContact CE1-CD1 4.28Å; F766-L770 WeakPolarHBondContact O-CG 3.28Å; F766-L770 PolarHBondContact O-N 3.1Å |
| 767 | I | 67.3 | Low | 62.9 | Low | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -37.6 | 174 | -68.1 | 167.8 | 0 | 0 | 0 | 110.8 | I763 R764 L770 Y771 L798 L802 V842 I845 L846 | I763-I767 HydrophobicContact CG2-CD1 3.78Å; I763-I767 VanDerWaalsContact O-CG1 3.32Å; I763-I767 WeakPolarHBondContact O-CG1 3.38Å; I763-I767 PolarHBondContact O-N 3.44Å; I763-I767 VanDerWaalsContact O-N 3.09Å; R764-I767 PolarHBondContact O-N 2.98Å; I767-L770 PolarHBondContact O-N 3.45Å; I767-Y771 WeakPolarHBondContact O-CB 3.33Å; I767-Y771 PolarHBondContact O-N 3.25Å; I767-L798 HydrophobicContact CD1-CD2 4.3Å; I767-L798 HydrophobicContact CG1-CD2 4.3Å; I767-L802 HydrophobicContact CD1-CD1 4.34Å; I767-V842 HydrophobicContact CD1-CG1 3.44Å; I767-V842 VanDerWaalsContact CD1-CG1 3.44Å; I767-V842 HydrophobicContact CG2-CG1 4.3Å; I767-I845 HydrophobicContact CG2-CB 4.17Å; I767-I845 HydrophobicContact CG2-CG2 3.48Å; I767-I845 VanDerWaalsContact CG2-CG2 3.48Å; I767-L846 HydrophobicContact CD1-CD1 3.69Å; I767-L846 HydrophobicContact CG1-CD1 4.08Å; I767-L846 HydrophobicContact CG2-CD1 4Å |
| 768 | H | 66.3 | Low | 64.2 | Low | 30 Ų | 30 | 41.7 Ų | 41.7 | 14% | 0.139 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.6 | -35.9 | 171.9 | -79.9 | -65.1 | 0 | 0 | 0 | 113.5 | R764 I765 F766 Y771 S772 I845 | R764-H768 PolarHBondContact O-CD2 3.29Å; R764-H768 PolarHBondContact O-N 3.42Å; I765-H768 WeakPolarHBondContact O-CB 3.29Å; I765-H768 PolarHBondContact O-N 2.87Å; F766-H768 VanDerWaalsContact C-N 3.29Å; F766-H768 PolarHBondContact O-N 2.67Å; H768-Y771 PolarHBondContact O-N 2.93Å; H768-S772 WeakPolarHBondContact O-CB 3.45Å; H768-S772 PolarHBondContact O-N 3.32Å; H768-S772 PolarHBondContact O-OG 3.21Å; H768-I845 WeakPolarHBondContact CE1-CD1 3.29Å |
| 769 | V | 71.3 | Confident | 65.3 | Low | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.5 | -51.1 | 172 | 171.9 | 0 | 0 | 0 | 0 | 109.6 | L693 I696 V697 F700 I765 F766 Y771 S772 L773 | L693-V769 HydrophobicContact CD1-CG2 3.36Å; I696-V769 HydrophobicContact CG2-CG1 3.9Å; I696-V769 HydrophobicContact CG2-CG2 3.84Å; V697-V769 HydrophobicContact CG2-CG1 4.38Å; F700-V769 HydrophobicContact CD2-CG1 3.93Å; F700-V769 HydrophobicContact CE2-CG1 4.11Å; I765-V769 WeakPolarHBondContact O-CG2 3.42Å; I765-V769 PolarHBondContact O-N 2.83Å; F766-V769 WeakPolarHBondContact O-CB 3.09Å; F766-V769 PolarHBondContact O-N 3.13Å; F766-V769 VanDerWaalsContact O-N 3.13Å; V769-Y771 VanDerWaalsContact C-N 3.27Å; V769-Y771 PolarHBondContact O-N 2.97Å; V769-S772 PolarHBondContact O-N 3.09Å; V769-L773 HydrophobicContact CG1-CD1 3.83Å; V769-L773 HydrophobicContact CG1-CG 4.32Å; V769-L773 VanDerWaalsContact O-CG 3.24Å; V769-L773 WeakPolarHBondContact O-CG 3.43Å; V769-L773 PolarHBondContact O-N 3.13Å |
| 770 | L | 72.8 | Confident | 65.8 | Low | 11 Ų | 11 | 40.5 Ų | 40.5 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.8 | -43.7 | 177.7 | -67.7 | 173.1 | 0 | 0 | 0 | 111.7 | I709 M713 F766 I767 L773 I774 L849 | I709-L770 HydrophobicContact CD1-CD2 3.83Å; I709-L770 HydrophobicContact CG1-CD2 4.38Å; M713-L770 HydrophobicContact CE-CD1 4.39Å; M713-L770 HydrophobicContact SD-CD1 3.72Å; M713-L770 HydrophobicContact SD-CD2 4.25Å; F766-L770 HydrophobicContact CD1-CD1 4.42Å; F766-L770 HydrophobicContact CE1-CD1 4.28Å; F766-L770 WeakPolarHBondContact O-CG 3.28Å; F766-L770 PolarHBondContact O-N 3.1Å; I767-L770 PolarHBondContact O-N 3.45Å; L770-L773 PolarHBondContact O-N 3.41Å; L770-I774 WeakPolarHBondContact O-CG1 3.44Å; L770-I774 PolarHBondContact O-N 3.12Å; L770-I774 VanDerWaalsContact O-N 3.13Å; L770-L849 HydrophobicContact CB-CD1 4.12Å; L770-L849 HydrophobicContact CB-CD2 4.32Å |
| 771 | Y | 69.7 | Low | 66.6 | Low | 24 Ų | 24 | 46.8 Ų | 46.8 | 9% | 0.094 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.4 | -45.4 | 177.8 | -173.8 | -112 | 0 | 0 | 0 | 113.6 | I767 H768 V769 L773 I774 K775 I845 E848 L849 | I767-Y771 WeakPolarHBondContact O-CB 3.33Å; I767-Y771 PolarHBondContact O-N 3.25Å; H768-Y771 PolarHBondContact O-N 2.93Å; V769-Y771 VanDerWaalsContact C-N 3.27Å; V769-Y771 PolarHBondContact O-N 2.97Å; Y771-L773 VanDerWaalsContact C-N 3.28Å; Y771-L773 PolarHBondContact O-N 3.43Å; Y771-I774 PolarHBondContact O-N 3.21Å; Y771-K775 HydrophobicContact CE1-CD 3.91Å; Y771-K775 VanDerWaalsContact CE1-CE 3.47Å; Y771-K775 PolarHBondContact O-N 3.28Å; Y771-K775 WeakPolarHBondContact OH-CE 3.38Å; Y771-K775 PolarHBondContact OH-NZ 3.1Å; Y771-I845 HydrophobicContact CD2-CB 4.43Å; Y771-I845 HydrophobicContact CD2-CG1 4.33Å; Y771-I845 HydrophobicContact CD2-CG2 3.73Å; Y771-I845 HydrophobicContact CG-CG1 4.32Å; Y771-I845 HydrophobicContact CG-CG2 3.81Å; Y771-E848 HydrophobicContact CE2-CB 4.2Å; Y771-E848 WeakPolarHBondContact CE2-OE2 3.46Å; Y771-E848 PolarHBondContact OH-OE2 3.34Å; Y771-L849 HydrophobicContact CD2-CD2 4.39Å |
| 772 | S | 71.3 | Confident | 67.3 | Low | 40 Ų | 40 | 45.7 Ų | 45.7 | 28% | 0.28 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.9 | -36.8 | 179 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | H768 V769 K775 D776 | H768-S772 WeakPolarHBondContact O-CB 3.45Å; H768-S772 PolarHBondContact O-N 3.32Å; H768-S772 PolarHBondContact O-OG 3.21Å; V769-S772 PolarHBondContact O-N 3.09Å; S772-K775 PolarHBondContact O-N 3.41Å; S772-D776 PolarHBondContact O-N 3.38Å |
| 773 | L | 72.1 | Confident | 67.6 | Low | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | 175.2 | -69 | 170.9 | 0 | 0 | 0 | 112.4 | V697 F700 I709 V769 L770 Y771 K775 D776 I779 | V697-L773 HydrophobicContact CG1-CD2 4Å; F700-L773 HydrophobicContact CB-CD1 3.56Å; F700-L773 HydrophobicContact CB-CD2 3.35Å; F700-L773 HydrophobicContact CB-CG 4.08Å; F700-L773 HydrophobicContact CD1-CD1 4.28Å; F700-L773 HydrophobicContact CD2-CD1 4.12Å; F700-L773 HydrophobicContact CG-CD1 3.77Å; F700-L773 HydrophobicContact CG-CD2 4.42Å; I709-L773 HydrophobicContact CD1-CD1 4.43Å; V769-L773 HydrophobicContact CG1-CD1 3.83Å; V769-L773 HydrophobicContact CG1-CG 4.32Å; V769-L773 VanDerWaalsContact O-CG 3.24Å; V769-L773 WeakPolarHBondContact O-CG 3.43Å; V769-L773 PolarHBondContact O-N 3.13Å; L770-L773 PolarHBondContact O-N 3.41Å; Y771-L773 VanDerWaalsContact C-N 3.28Å; Y771-L773 PolarHBondContact O-N 3.43Å; L773-K775 VanDerWaalsContact C-N 3.34Å; L773-K775 PolarHBondContact O-N 3.41Å; L773-D776 PolarHBondContact O-N 3.23Å; L773-I779 HydrophobicContact CB-CD1 3.72Å; L773-I779 HydrophobicContact CD2-CD1 3.32Å; L773-I779 HydrophobicContact CG-CD1 4.12Å; L773-I779 WeakPolarHBondContact O-CD1 3.41Å |
| 774 | I | 67.6 | Low | 67.8 | Low | 20 Ų | 20 | 51 Ų | 51 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.3 | -31.5 | 179.9 | -72.3 | -165.4 | 0 | 0 | 0 | 112.8 | L770 Y771 D776 L849 Y852 F853 | L770-I774 WeakPolarHBondContact O-CG1 3.44Å; L770-I774 PolarHBondContact O-N 3.12Å; L770-I774 VanDerWaalsContact O-N 3.13Å; Y771-I774 PolarHBondContact O-N 3.21Å; I774-D776 PolarHBondContact O-N 3.09Å; I774-L849 HydrophobicContact CB-CD2 4.17Å; I774-L849 HydrophobicContact CD1-CB 4.45Å; I774-L849 HydrophobicContact CD1-CD2 3.22Å; I774-L849 HydrophobicContact CD1-CG 4.41Å; I774-L849 HydrophobicContact CG1-CD2 3.86Å; I774-Y852 HydrophobicContact CB-CD1 4.44Å; I774-Y852 HydrophobicContact CD1-CD1 4.13Å; I774-Y852 HydrophobicContact CG1-CD1 4.5Å; I774-Y852 HydrophobicContact CG2-CD1 3.27Å; I774-Y852 HydrophobicContact CG2-CD2 3.59Å; I774-Y852 HydrophobicContact CG2-CE1 3.55Å; I774-Y852 HydrophobicContact CG2-CE2 3.84Å; I774-Y852 HydrophobicContact CG2-CG 3.29Å; I774-F853 HydrophobicContact CD1-CD1 4.34Å; I774-F853 HydrophobicContact CD1-CD2 3.84Å; I774-F853 HydrophobicContact CD1-CE1 3.77Å; I774-F853 HydrophobicContact CD1-CE2 3.16Å; I774-F853 HydrophobicContact CD1-CG 4.39Å; I774-F853 HydrophobicContact CD1-CZ 3.14Å; I774-F853 HydrophobicContact CG1-CE2 4.43Å; I774-F853 HydrophobicContact CG1-CZ 4.03Å |
| 775 | K | 67.3 | Low | 68 | Low | 120 Ų | 120 | 54.7 Ų | 54.7 | 52% | 0.522 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.2 | -23 | 175.1 | -80 | -169.3 | 168.9 | 175.2 | 0 | 113.3 | Y771 S772 L773 K777 | Y771-K775 HydrophobicContact CE1-CD 3.91Å; Y771-K775 VanDerWaalsContact CE1-CE 3.47Å; Y771-K775 PolarHBondContact O-N 3.28Å; Y771-K775 WeakPolarHBondContact OH-CE 3.38Å; Y771-K775 PolarHBondContact OH-NZ 3.1Å; S772-K775 PolarHBondContact O-N 3.41Å; L773-K775 VanDerWaalsContact C-N 3.34Å; L773-K775 PolarHBondContact O-N 3.41Å; K775-K777 PolarHBondContact O-N 3.48Å |
| 776 | D | 67 | Low | 68.2 | Low | 57 Ų | 57 | 54.9 Ų | 54.9 | 31% | 0.305 | 26% | 0.263 | S | S | . | . | trans | -77.6 | 109.9 | 179.8 | -169.2 | -17.6 | 0 | 0 | 0 | 111.2 | S772 L773 I774 S778 I779 | S772-D776 PolarHBondContact O-N 3.38Å; L773-D776 PolarHBondContact O-N 3.23Å; I774-D776 PolarHBondContact O-N 3.09Å; D776-S778 PolarHBondContact O-N 2.92Å; D776-S778 VanDerWaalsContact OD1-CB 3.27Å; D776-S778 WeakPolarHBondContact OD1-CB 3.46Å; D776-S778 PolarHBondContact OD1-N 3.19Å; D776-S778 PolarHBondContact OD1-OG 2.95Å; D776-S778 PolarHBondContact OD2-OG 3.27Å; D776-S778 VanDerWaalsContact OD2-OG 3.07Å; D776-I779 HydrophobicContact CB-CD1 4.14Å; D776-I779 HydrophobicContact CB-CG1 4.35Å; D776-I779 PolarHBondContact O-N 3.31Å | ||
| 777 | K | 65.9 | Low | 68.3 | Low | 180 Ų | 180 | 58.4 Ų | 58.4 | 78% | 0.783 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -57.1 | -22.8 | 178.4 | -66.8 | -174.6 | -179.9 | -178.3 | 0 | 113.1 | K775 I779 | K775-K777 PolarHBondContact O-N 3.48Å; K777-I779 VanDerWaalsContact C-N 3.25Å; K777-I779 PolarHBondContact O-N 3.35Å |
| 778 | S | 67.8 | Low | 68.4 | Low | 62 Ų | 62 | 59.5 Ų | 59.5 | 43% | 0.434 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -67 | -27.3 | 178.5 | 71.6 | 0 | 0 | 0 | 0 | 112.9 | D776 I780 | D776-S778 PolarHBondContact O-N 2.92Å; D776-S778 VanDerWaalsContact OD1-CB 3.27Å; D776-S778 WeakPolarHBondContact OD1-CB 3.46Å; D776-S778 PolarHBondContact OD1-N 3.19Å; D776-S778 PolarHBondContact OD1-OG 2.95Å; D776-S778 PolarHBondContact OD2-OG 3.27Å; D776-S778 VanDerWaalsContact OD2-OG 3.07Å; S778-I780 VanDerWaalsContact C-N 3.32Å; S778-I780 PolarHBondContact O-N 3.11Å |
| 779 | I | 68 | Low | 68.3 | Low | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -76.4 | -18.6 | -176.2 | -70 | 177.5 | 0 | 0 | 0 | 112.4 | T701 F706 L773 D776 K777 K781 L782 L783 | T701-I779 HydrophobicContact CG2-CD1 4.29Å; F706-I779 HydrophobicContact CD2-CG2 4.33Å; F706-I779 HydrophobicContact CE1-CG2 4.49Å; F706-I779 HydrophobicContact CE2-CG2 3.55Å; F706-I779 HydrophobicContact CZ-CG2 3.65Å; L773-I779 HydrophobicContact CB-CD1 3.72Å; L773-I779 HydrophobicContact CD2-CD1 3.32Å; L773-I779 HydrophobicContact CG-CD1 4.12Å; L773-I779 WeakPolarHBondContact O-CD1 3.41Å; D776-I779 HydrophobicContact CB-CD1 4.14Å; D776-I779 HydrophobicContact CB-CG1 4.35Å; D776-I779 PolarHBondContact O-N 3.31Å; K777-I779 VanDerWaalsContact C-N 3.25Å; K777-I779 PolarHBondContact O-N 3.35Å; I779-K781 PolarHBondContact O-N 2.82Å; I779-K781 VanDerWaalsContact O-N 3.14Å; I779-L782 HydrophobicContact CG1-CD1 4.47Å; I779-L782 WeakPolarHBondContact O-CA 3.26Å; I779-L782 WeakPolarHBondContact O-CB 3.4Å; I779-L782 PolarHBondContact O-N 3.37Å; I779-L783 HydrophobicContact CG2-CG 4.48Å; I779-L783 PolarHBondContact O-N 3.18Å; I779-L783 VanDerWaalsContact O-N 3.09Å |
| 780 | I | 64 | Low | 68.4 | Low | 69 Ų | 69 | 64.1 Ų | 64.1 | 35% | 0.354 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -54.7 | -38.8 | 178.8 | -61.7 | 174.4 | 0 | 0 | 0 | 111.4 | S778 L782 L783 Y852 | S778-I780 VanDerWaalsContact C-N 3.32Å; S778-I780 PolarHBondContact O-N 3.11Å; I780-L782 VanDerWaalsContact C-N 3.27Å; I780-L782 PolarHBondContact O-N 3.17Å; I780-L783 PolarHBondContact O-N 3.15Å; I780-Y852 WeakPolarHBondContact CG1-OH 3.4Å |
| 781 | K | 68.4 | Low | 68.3 | Low | 177 Ų | 177 | 63.6 Ų | 63.6 | 77% | 0.77 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -70.5 | -21 | 176.5 | -67 | -178 | 180 | 177.7 | 0 | 113.9 | I779 | I779-K781 PolarHBondContact O-N 2.82Å; I779-K781 VanDerWaalsContact O-N 3.14Å |
| 782 | L | 68.9 | Low | 68.3 | Low | 21 Ų | 21 | 62.7 Ų | 62.7 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -89.2 | -22.2 | 179.8 | -62.1 | 176.1 | 0 | 0 | 0 | 112.1 | T701 P703 F706 I779 I780 D784 R785 | T701-L782 WeakPolarHBondContact O-CD1 2.97Å; P703-L782 HydrophobicContact CB-CD2 3.74Å; F706-L782 HydrophobicContact CB-CD1 4.32Å; F706-L782 HydrophobicContact CD1-CB 3.63Å; F706-L782 HydrophobicContact CE1-CB 3.87Å; F706-L782 WeakPolarHBondContact CE1-O 3.45Å; F706-L782 HydrophobicContact CG-CB 4.14Å; F706-L782 HydrophobicContact CG-CD1 4.33Å; I779-L782 HydrophobicContact CG1-CD1 4.47Å; I779-L782 WeakPolarHBondContact O-CA 3.26Å; I779-L782 WeakPolarHBondContact O-CB 3.4Å; I779-L782 PolarHBondContact O-N 3.37Å; I780-L782 VanDerWaalsContact C-N 3.27Å; I780-L782 PolarHBondContact O-N 3.17Å; L782-D784 PolarHBondContact O-N 3.18Å; L782-R785 WeakPolarHBondContact O-CB 3.32Å; L782-R785 PolarHBondContact O-N 3.46Å |
| 783 | L | 67.5 | Low | 68.1 | Low | 11 Ų | 11 | 64.5 Ų | 64.5 | 6% | 0.058 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.9 | -32.3 | 176.7 | -70.3 | 173.1 | 0 | 0 | 0 | 112.7 | F706 I779 I780 R785 I786 L788 Y852 F853 | F706-L783 HydrophobicContact CE1-CD2 4.41Å; F706-L783 HydrophobicContact CZ-CD2 3.94Å; I779-L783 HydrophobicContact CG2-CG 4.48Å; I779-L783 PolarHBondContact O-N 3.18Å; I779-L783 VanDerWaalsContact O-N 3.09Å; I780-L783 PolarHBondContact O-N 3.15Å; L783-R785 PolarHBondContact O-N 2.8Å; L783-I786 HydrophobicContact CD2-CD1 4.1Å; L783-I786 VanDerWaalsContact O-CG1 3.22Å; L783-I786 WeakPolarHBondContact O-CG1 3.36Å; L783-I786 PolarHBondContact O-N 3.04Å; L783-L788 HydrophobicContact CD2-CD1 3.99Å; L783-Y852 HydrophobicContact CD1-CE1 4.38Å; L783-F853 HydrophobicContact CD2-CE1 3.89Å |
| 784 | D | 64.6 | Low | 68.1 | Low | 139 Ų | 139 | 64.7 Ų | 64.7 | 74% | 0.743 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -16.7 | 175.8 | -72.3 | -24 | 0 | 0 | 0 | 113.7 | L782 | L782-D784 PolarHBondContact O-N 3.18Š|
| 785 | R | 66.5 | Low | 68.2 | Low | 148 Ų | 148 | 63.9 Ų | 63.9 | 56% | 0.558 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -6 | -178.8 | -59.1 | -171.8 | 176.1 | -161.4 | -1.3 | 113.9 | I707 L782 L783 | I707-R785 HydrophobicContact CD1-CB 4.49Å; I707-R785 HydrophobicContact CG1-CB 4.06Å; L782-R785 WeakPolarHBondContact O-CB 3.32Å; L782-R785 PolarHBondContact O-N 3.46Å; L783-R785 PolarHBondContact O-N 2.8Å |
| 786 | I | 68.8 | Low | 68.1 | Low | 22 Ų | 22 | 58.8 Ų | 58.8 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -116.8 | 157 | -179 | 60.6 | 164.1 | 0 | 0 | 0 | 111.1 | F706 I709 L783 L788 L791 | F706-I786 HydrophobicContact CD1-CG2 3.88Å; F706-I786 HydrophobicContact CE1-CD1 3.72Å; F706-I786 HydrophobicContact CE1-CG1 3.98Å; F706-I786 HydrophobicContact CE1-CG2 3.79Å; F706-I786 HydrophobicContact CZ-CD1 3.91Å; I709-I786 HydrophobicContact CG2-CD1 4.07Å; I709-I786 HydrophobicContact CG2-CG2 4.09Å; L783-I786 HydrophobicContact CD2-CD1 4.1Å; L783-I786 VanDerWaalsContact O-CG1 3.22Å; L783-I786 WeakPolarHBondContact O-CG1 3.36Å; L783-I786 PolarHBondContact O-N 3.04Å; I786-L788 HydrophobicContact CD1-CD1 4.47Å; I786-L788 PolarHBondContact O-N 2.94Å; I786-L791 HydrophobicContact CD1-CD2 3.81Å |
| 787 | N | 71 | Confident | 68.1 | Low | 83 Ų | 83 | 59.7 Ų | 59.7 | 44% | 0.444 | 29% | 0.288 | S | S | . | . | trans | -78.3 | 92.3 | 170.5 | -176 | 0.7 | 0 | 0 | 0 | 109 | N710 N789 E790 L791 | N710-N787 PolarHBondContact ND2-N 2.95Å; N710-N787 PolarHBondContact ND2-O 3.34Å; N787-N789 VanDerWaalsContact C-N 3.26Å; N787-N789 PolarHBondContact O-N 3.06Å; N787-N789 PolarHBondContact OD1-N 3.45Å; N787-E790 HydrophobicContact CB-CB 4.01Å; N787-E790 WeakPolarHBondContact O-CB 3.42Å; N787-E790 PolarHBondContact O-N 3.04Å; N787-E790 VanDerWaalsContact O-N 3.17Å; N787-E790 PolarHBondContact OD1-N 3.1Å; N787-L791 PolarHBondContact O-N 3.42Å; N787-L791 VanDerWaalsContact O-N 3.15Å | ||
| 788 | L | 69 | Low | 68.3 | Low | 23 Ų | 23 | 51.2 Ų | 51.2 | 12% | 0.12 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.7 | -38.5 | -177.7 | -161.9 | 74.6 | 0 | 0 | 0 | 112.6 | L783 I786 E790 L791 I792 F853 | L783-L788 HydrophobicContact CD2-CD1 3.99Å; I786-L788 HydrophobicContact CD1-CD1 4.47Å; I786-L788 PolarHBondContact O-N 2.94Å; L788-E790 VanDerWaalsContact C-N 3.3Å; L788-E790 PolarHBondContact O-N 3.03Å; L788-L791 PolarHBondContact O-N 3.25Å; L788-I792 HydrophobicContact CD2-CD1 4.26Å; L788-I792 HydrophobicContact CG-CD1 4.03Å; L788-I792 HydrophobicContact CG-CG1 4.47Å; L788-I792 VanDerWaalsContact O-CG1 3.23Å; L788-I792 WeakPolarHBondContact O-CG1 3.4Å; L788-I792 PolarHBondContact O-N 3.45Å; L788-F853 HydrophobicContact CD1-CD1 3.53Å; L788-F853 HydrophobicContact CD1-CE1 3.67Å; L788-F853 HydrophobicContact CG-CD1 4.28Å |
| 789 | N | 64.6 | Low | 68.1 | Low | 73 Ų | 73 | 48.4 Ų | 48.4 | 39% | 0.39 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.3 | -39.7 | -179.7 | -62.3 | -49.6 | 0 | 0 | 0 | 111.4 | N787 I792 E793 N874 | N787-N789 VanDerWaalsContact C-N 3.26Å; N787-N789 PolarHBondContact O-N 3.06Å; N787-N789 PolarHBondContact OD1-N 3.45Å; N789-I792 PolarHBondContact O-N 3.42Å; N789-E793 WeakPolarHBondContact O-CB 3.31Å; N789-E793 PolarHBondContact O-N 3.46Å; N789-N874 VanDerWaalsContact CG-ND2 3.33Å; N789-N874 PolarHBondContact ND2-ND2 3.2Å; N789-N874 PolarHBondContact OD1-ND2 3.15Å |
| 790 | E | 72.9 | Confident | 67.8 | Low | 57 Ų | 57 | 49 Ų | 49 | 27% | 0.266 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.4 | -43.7 | 176 | 176.5 | -178.7 | -164.2 | 0 | 0 | 111 | N710 N787 L788 I792 E793 Q794 | N710-E790 PolarHBondContact ND2-OE2 3.39Å; N787-E790 HydrophobicContact CB-CB 4.01Å; N787-E790 WeakPolarHBondContact O-CB 3.42Å; N787-E790 PolarHBondContact O-N 3.04Å; N787-E790 VanDerWaalsContact O-N 3.17Å; N787-E790 PolarHBondContact OD1-N 3.1Å; L788-E790 VanDerWaalsContact C-N 3.3Å; L788-E790 PolarHBondContact O-N 3.03Å; E790-I792 PolarHBondContact O-N 3.28Å; E790-E793 PolarHBondContact O-N 3.34Å; E790-Q794 HydrophobicContact CG-CG 4.47Å; E790-Q794 WeakPolarHBondContact O-CB 3.33Å; E790-Q794 WeakPolarHBondContact O-CG 3.4Å; E790-Q794 PolarHBondContact O-N 3.46Å; E790-Q794 PolarHBondContact OE1-NE2 3.15Å |
| 791 | L | 72.5 | Confident | 67.6 | Low | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 176.9 | -173.5 | 64.8 | 0 | 0 | 0 | 111.9 | I709 M713 I786 N787 L788 Q794 I795 F853 | I709-L791 HydrophobicContact CG1-CD1 4.5Å; M713-L791 HydrophobicContact CB-CD1 4.4Å; M713-L791 HydrophobicContact CG-CD1 3.7Å; I786-L791 HydrophobicContact CD1-CD2 3.81Å; N787-L791 PolarHBondContact O-N 3.42Å; N787-L791 VanDerWaalsContact O-N 3.15Å; L788-L791 PolarHBondContact O-N 3.25Å; L791-Q794 WeakPolarHBondContact O-CB 3.38Å; L791-Q794 PolarHBondContact O-N 2.67Å; L791-I795 HydrophobicContact CD1-CD1 4.5Å; L791-I795 HydrophobicContact CG-CD1 4.07Å; L791-I795 VanDerWaalsContact O-CG1 3.29Å; L791-I795 WeakPolarHBondContact O-CG1 3.39Å; L791-I795 PolarHBondContact O-N 2.83Å; L791-F853 HydrophobicContact CD2-CE1 3.94Å; L791-F853 HydrophobicContact CD2-CE2 4.11Å; L791-F853 HydrophobicContact CD2-CZ 3.44Å; L791-F853 VanDerWaalsContact CD2-CZ 3.44Å; L791-F853 HydrophobicContact CG-CZ 4.36Å |
| 792 | I | 68.4 | Low | 67.3 | Low | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 177.5 | -63.7 | 165.4 | 0 | 0 | 0 | 110.2 | L788 N789 E790 Q794 I795 I796 F853 L878 | L788-I792 HydrophobicContact CD2-CD1 4.26Å; L788-I792 HydrophobicContact CG-CD1 4.03Å; L788-I792 HydrophobicContact CG-CG1 4.47Å; L788-I792 VanDerWaalsContact O-CG1 3.23Å; L788-I792 WeakPolarHBondContact O-CG1 3.4Å; L788-I792 PolarHBondContact O-N 3.45Å; N789-I792 PolarHBondContact O-N 3.42Å; E790-I792 PolarHBondContact O-N 3.28Å; I792-Q794 VanDerWaalsContact C-N 3.29Å; I792-Q794 PolarHBondContact O-N 3.43Å; I792-I795 PolarHBondContact O-N 2.96Å; I792-I796 HydrophobicContact CG2-CD1 3.76Å; I792-I796 WeakPolarHBondContact O-CD1 3.37Å; I792-I796 WeakPolarHBondContact O-CG1 3.31Å; I792-I796 PolarHBondContact O-N 3.37Å; I792-F853 HydrophobicContact CD1-CB 3.88Å; I792-F853 HydrophobicContact CG1-CB 3.75Å; I792-F853 HydrophobicContact CG1-CD2 4.47Å; I792-F853 HydrophobicContact CG1-CG 4.14Å; I792-L878 HydrophobicContact CB-CD1 4.48Å; I792-L878 HydrophobicContact CG2-CD1 3.59Å |
| 793 | E | 67.6 | Low | 66.6 | Low | 78 Ų | 78 | 38.6 Ų | 38.6 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.9 | -40.3 | 177.3 | -172.3 | 164.5 | -147.2 | 0 | 0 | 111.4 | N789 E790 I796 Q797 K881 | N789-E793 WeakPolarHBondContact O-CB 3.31Å; N789-E793 PolarHBondContact O-N 3.46Å; E790-E793 PolarHBondContact O-N 3.34Å; E793-I796 PolarHBondContact O-N 3.14Å; E793-Q797 VanDerWaalsContact O-CG 3.31Å; E793-Q797 WeakPolarHBondContact O-CG 3.46Å; E793-Q797 PolarHBondContact O-N 3.32Å; E793-K881 IonicContact OE1-NZ 3.49Å; E793-K881 PolarHBondContact OE1-NZ 3.42Å |
| 794 | Q | 72.2 | Confident | 65.7 | Low | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 174.8 | -75 | 173.7 | 0.3 | 0 | 0 | 112.8 | N710 M713 L717 E790 L791 I792 I796 Q797 L798 | N710-Q794 PolarHBondContact O-NE2 3.48Å; N710-Q794 VanDerWaalsContact O-NE2 3.1Å; N710-Q794 PolarHBondContact O-OE1 3.45Å; M713-Q794 HydrophobicContact CB-CB 4.41Å; M713-Q794 HydrophobicContact CE-CB 4.4Å; L717-Q794 HydrophobicContact CD1-CB 3.48Å; L717-Q794 VanDerWaalsContact CD1-CB 3.48Å; L717-Q794 HydrophobicContact CD1-CG 3.6Å; L717-Q794 WeakPolarHBondContact CD1-O 3.36Å; E790-Q794 HydrophobicContact CG-CG 4.47Å; E790-Q794 WeakPolarHBondContact O-CB 3.33Å; E790-Q794 WeakPolarHBondContact O-CG 3.4Å; E790-Q794 PolarHBondContact O-N 3.46Å; E790-Q794 PolarHBondContact OE1-NE2 3.15Å; L791-Q794 WeakPolarHBondContact O-CB 3.38Å; L791-Q794 PolarHBondContact O-N 2.67Å; I792-Q794 VanDerWaalsContact C-N 3.29Å; I792-Q794 PolarHBondContact O-N 3.43Å; Q794-I796 VanDerWaalsContact C-N 3.28Å; Q794-I796 PolarHBondContact O-N 3.34Å; Q794-Q797 PolarHBondContact O-N 3.4Å; Q794-L798 PolarHBondContact O-N 3.33Å |
| 795 | I | 70.1 | Confident | 64.7 | Low | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -37.3 | 176 | -69.9 | 167.3 | 0 | 0 | 0 | 110.8 | M713 L791 I792 L798 F799 L846 I850 F853 | M713-I795 HydrophobicContact CE-CG1 4.11Å; L791-I795 HydrophobicContact CD1-CD1 4.5Å; L791-I795 HydrophobicContact CG-CD1 4.07Å; L791-I795 VanDerWaalsContact O-CG1 3.29Å; L791-I795 WeakPolarHBondContact O-CG1 3.39Å; L791-I795 PolarHBondContact O-N 2.83Å; I792-I795 PolarHBondContact O-N 2.96Å; I795-L798 WeakPolarHBondContact O-CB 3.49Å; I795-L798 PolarHBondContact O-N 3.4Å; I795-F799 PolarHBondContact O-N 3.35Å; I795-L846 HydrophobicContact CG2-CD2 3.88Å; I795-L846 HydrophobicContact CG2-CG 4.21Å; I795-I850 HydrophobicContact CG2-CD1 4.14Å; I795-I850 HydrophobicContact CG2-CG1 3.83Å; I795-F853 HydrophobicContact CD1-CD2 3.91Å; I795-F853 HydrophobicContact CD1-CE2 3.43Å; I795-F853 VanDerWaalsContact CD1-CE2 3.43Å; I795-F853 HydrophobicContact CD1-CZ 4.41Å |
| 796 | I | 64.9 | Low | 63.6 | Low | 13 Ų | 13 | 31.9 Ų | 31.9 | 7% | 0.067 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.7 | -37.7 | 176 | -69.9 | 154.2 | 0 | 0 | 0 | 111.7 | I792 E793 Q794 L798 F799 N800 I850 L878 L882 | I792-I796 HydrophobicContact CG2-CD1 3.76Å; I792-I796 WeakPolarHBondContact O-CD1 3.37Å; I792-I796 WeakPolarHBondContact O-CG1 3.31Å; I792-I796 PolarHBondContact O-N 3.37Å; E793-I796 PolarHBondContact O-N 3.14Å; Q794-I796 VanDerWaalsContact C-N 3.28Å; Q794-I796 PolarHBondContact O-N 3.34Å; I796-L798 VanDerWaalsContact C-N 3.28Å; I796-L798 PolarHBondContact O-N 3.46Å; I796-F799 CarbonylContact O-C 3.59Å; I796-F799 WeakPolarHBondContact O-CB 3.41Å; I796-F799 PolarHBondContact O-N 3.34Å; I796-N800 WeakPolarHBondContact O-CB 3.26Å; I796-N800 VanDerWaalsContact O-CG 3.23Å; I796-N800 PolarHBondContact O-N 3.07Å; I796-N800 PolarHBondContact O-ND2 2.93Å; I796-I850 HydrophobicContact CG1-CD1 4.21Å; I796-L878 HydrophobicContact CD1-CD1 3.44Å; I796-L878 VanDerWaalsContact CD1-CD1 3.44Å; I796-L878 HydrophobicContact CD1-CD2 3.13Å; I796-L878 HydrophobicContact CD1-CG 3.46Å; I796-L878 VanDerWaalsContact CD1-CG 3.46Å; I796-L878 HydrophobicContact CG1-CD2 4.42Å; I796-L882 HydrophobicContact CG2-CD1 3.71Å |
| 797 | Q | 67.5 | Low | 62 | Low | 77 Ų | 77 | 33.9 Ų | 33.9 | 36% | 0.36 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.7 | -43.2 | 170.6 | -75.3 | 171.8 | -0.6 | 0 | 0 | 110.3 | L717 E793 Q794 F799 N800 I801 | L717-Q797 HydrophobicContact CD1-CB 4.21Å; L717-Q797 HydrophobicContact CD2-CB 3.92Å; E793-Q797 VanDerWaalsContact O-CG 3.31Å; E793-Q797 WeakPolarHBondContact O-CG 3.46Å; E793-Q797 PolarHBondContact O-N 3.32Å; Q794-Q797 PolarHBondContact O-N 3.4Å; Q797-F799 VanDerWaalsContact C-N 3.31Å; Q797-F799 PolarHBondContact O-N 3.48Å; Q797-N800 CarbonylContact O-C 3.56Å; Q797-N800 WeakPolarHBondContact O-CA 3.45Å; Q797-N800 PolarHBondContact O-N 2.93Å; Q797-I801 HydrophobicContact CB-CD1 4.39Å; Q797-I801 WeakPolarHBondContact O-CB 3.31Å; Q797-I801 VanDerWaalsContact O-CD1 3.29Å; Q797-I801 WeakPolarHBondContact O-CD1 3.39Å; Q797-I801 WeakPolarHBondContact O-CG1 3.16Å; Q797-I801 PolarHBondContact O-N 3.35Å |
| 798 | L | 68.8 | Low | 60.1 | Low | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59 | -45.9 | 175.8 | -171.8 | 61.9 | 0 | 0 | 0 | 110.9 | M713 F716 L717 V720 I767 Q794 I795 I796 N800 I801 L802 | M713-L798 HydrophobicContact CE-CD2 4.41Å; F716-L798 HydrophobicContact CD1-CD1 4.07Å; F716-L798 HydrophobicContact CD1-CD2 4.49Å; F716-L798 HydrophobicContact CE1-CD1 3.49Å; F716-L798 VanDerWaalsContact CE1-CD1 3.49Å; F716-L798 HydrophobicContact CE1-CD2 3.82Å; F716-L798 HydrophobicContact CE1-CG 4.32Å; F716-L798 HydrophobicContact CZ-CD1 4.39Å; L717-L798 VanDerWaalsContact CD2-CA 3.5Å; L717-L798 HydrophobicContact CD2-CB 3.69Å; L717-L798 HydrophobicContact CD2-CD1 4.06Å; L717-L798 HydrophobicContact CD2-CG 4.48Å; L717-L798 VanDerWaalsContact CD2-N 3.29Å; V720-L798 HydrophobicContact CG2-CD1 4.5Å; I767-L798 HydrophobicContact CD1-CD2 4.3Å; I767-L798 HydrophobicContact CG1-CD2 4.3Å; Q794-L798 PolarHBondContact O-N 3.33Å; I795-L798 WeakPolarHBondContact O-CB 3.49Å; I795-L798 PolarHBondContact O-N 3.4Å; I796-L798 VanDerWaalsContact C-N 3.28Å; I796-L798 PolarHBondContact O-N 3.46Å; L798-N800 VanDerWaalsContact C-N 3.27Å; L798-N800 PolarHBondContact O-N 3.26Å; L798-I801 PolarHBondContact O-N 3.45Å; L798-L802 HydrophobicContact CD1-CD1 3.85Å; L798-L802 HydrophobicContact CD1-CG 4Å; L798-L802 HydrophobicContact CD2-CD1 4.42Å; L798-L802 HydrophobicContact CG-CD1 3.74Å; L798-L802 HydrophobicContact CG-CG 4.27Å; L798-L802 WeakPolarHBondContact O-CB 3.49Å; L798-L802 VanDerWaalsContact O-CG 3.29Å; L798-L802 WeakPolarHBondContact O-CG 3.33Å; L798-L802 PolarHBondContact O-N 3.21Å |
| 799 | F | 64.6 | Low | 58.4 | Low | 3 Ų | 3 | 37.1 Ų | 37.1 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.6 | -34.2 | 173.1 | -175 | -98 | 0 | 0 | 0 | 112.7 | I795 I796 Q797 F803 L846 F847 Y896 | I795-F799 PolarHBondContact O-N 3.35Å; I796-F799 CarbonylContact O-C 3.59Å; I796-F799 WeakPolarHBondContact O-CB 3.41Å; I796-F799 PolarHBondContact O-N 3.34Å; Q797-F799 VanDerWaalsContact C-N 3.31Å; Q797-F799 PolarHBondContact O-N 3.48Å; F799-F803 AromaticContact CD2-CD2 3.9Å; F799-F803 HydrophobicContact CD2-CD2 3.9Å; F799-F803 AromaticContact CD2-CE2 3.79Å; F799-F803 HydrophobicContact CD2-CE2 3.79Å; F799-F803 HydrophobicContact CE2-CD2 4.04Å; F799-F803 AromaticContact CE2-CE2 3.94Å; F799-F803 HydrophobicContact CE2-CE2 3.94Å; F799-F803 HydrophobicContact CE2-CG 4.44Å; F799-F803 HydrophobicContact CE2-CZ 4.33Å; F799-F803 HydrophobicContact CG-CD2 4.34Å; F799-F803 WeakPolarHBondContact O-CB 3.23Å; F799-F803 WeakPolarHBondContact O-CD2 3.31Å; F799-L846 HydrophobicContact CB-CD2 3.57Å; F799-L846 HydrophobicContact CD2-CD2 3.88Å; F799-L846 HydrophobicContact CG-CD2 4.19Å; F799-F847 HydrophobicContact CE2-CE1 4.2Å; F799-F847 HydrophobicContact CE2-CE2 4.09Å; F799-F847 AromaticContact CE2-CZ 3.48Å; F799-F847 HydrophobicContact CE2-CZ 3.48Å; F799-F847 VanDerWaalsContact CE2-CZ 3.48Å; F799-F847 HydrophobicContact CZ-CE1 4.21Å; F799-F847 AromaticContact CZ-CZ 3.6Å; F799-F847 HydrophobicContact CZ-CZ 3.6Å; F799-Y896 HydrophobicContact CD1-CE2 4.29Å; F799-Y896 HydrophobicContact CE1-CD2 4.32Å; F799-Y896 AromaticContact CE1-CE2 3.53Å; F799-Y896 HydrophobicContact CE1-CE2 3.53Å; F799-Y896 HydrophobicContact CZ-CD2 4.33Å; F799-Y896 AromaticContact CZ-CE2 3.97Å; F799-Y896 HydrophobicContact CZ-CE2 3.97Å |
| 800 | N | 60.8 | Low | 56.9 | Low | 17 Ų | 17 | 38.7 Ų | 38.7 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -75.8 | -44.2 | 177.4 | -71.2 | -23.5 | 0 | 0 | 0 | 111.1 | I796 Q797 L798 F803 L804 Y896 | I796-N800 WeakPolarHBondContact O-CB 3.26Å; I796-N800 VanDerWaalsContact O-CG 3.23Å; I796-N800 PolarHBondContact O-N 3.07Å; I796-N800 PolarHBondContact O-ND2 2.93Å; Q797-N800 CarbonylContact O-C 3.56Å; Q797-N800 WeakPolarHBondContact O-CA 3.45Å; Q797-N800 PolarHBondContact O-N 2.93Å; L798-N800 VanDerWaalsContact C-N 3.27Å; L798-N800 PolarHBondContact O-N 3.26Å; N800-F803 PolarHBondContact O-N 2.95Å; N800-L804 HydrophobicContact CB-CD1 3.97Å; N800-L804 WeakPolarHBondContact O-CB 3.4Å; N800-L804 WeakPolarHBondContact O-CG 3.47Å; N800-L804 PolarHBondContact O-N 2.75Å; N800-Y896 PolarHBondContact OD1-OH 3.43Å; N800-Y896 VanDerWaalsContact OD1-OH 3.06Å |
| 801 | I | 60.9 | Low | 54.8 | Low | 9 Ų | 9 | 41.6 Ų | 41.6 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.4 | -48.9 | -176.6 | -65 | 154.4 | 0 | 0 | 0 | 111.5 | L717 V720 E721 I724 Q797 L798 F803 N805 | L717-I801 HydrophobicContact CD2-CD1 3.55Å; V720-I801 HydrophobicContact CB-CG2 4.49Å; V720-I801 HydrophobicContact CG1-CG2 3.62Å; E721-I801 HydrophobicContact CG-CD1 3.38Å; E721-I801 HydrophobicContact CG-CG1 3.72Å; E721-I801 HydrophobicContact CG-CG2 4.23Å; E721-I801 WeakPolarHBondContact OE1-CD1 3.28Å; I724-I801 HydrophobicContact CD1-CG2 3.5Å; Q797-I801 HydrophobicContact CB-CD1 4.39Å; Q797-I801 WeakPolarHBondContact O-CB 3.31Å; Q797-I801 VanDerWaalsContact O-CD1 3.29Å; Q797-I801 WeakPolarHBondContact O-CD1 3.39Å; Q797-I801 WeakPolarHBondContact O-CG1 3.16Å; Q797-I801 PolarHBondContact O-N 3.35Å; L798-I801 PolarHBondContact O-N 3.45Å; I801-F803 PolarHBondContact O-N 3.48Å; I801-N805 PolarHBondContact O-N 3.12Å |
| 802 | L | 60.4 | Low | 52.7 | Low | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.7 | -30.4 | -178.1 | -69.7 | 175 | 0 | 0 | 0 | 111.8 | V720 I763 I767 L798 Q806 | V720-L802 HydrophobicContact CG1-CD2 4.02Å; I763-L802 HydrophobicContact CD1-CD2 4.01Å; I763-L802 HydrophobicContact CG2-CD1 3.99Å; I763-L802 HydrophobicContact CG2-CD2 4.12Å; I767-L802 HydrophobicContact CD1-CD1 4.34Å; L798-L802 HydrophobicContact CD1-CD1 3.85Å; L798-L802 HydrophobicContact CD1-CG 4Å; L798-L802 HydrophobicContact CD2-CD1 4.42Å; L798-L802 HydrophobicContact CG-CD1 3.74Å; L798-L802 HydrophobicContact CG-CG 4.27Å; L798-L802 WeakPolarHBondContact O-CB 3.49Å; L798-L802 VanDerWaalsContact O-CG 3.29Å; L798-L802 WeakPolarHBondContact O-CG 3.33Å; L798-L802 PolarHBondContact O-N 3.21Å; L802-Q806 WeakPolarHBondContact O-CG 3.48Å; L802-Q806 PolarHBondContact O-OE1 3.34Å |
| 803 | F | 55.5 | Low | 50.9 | Low | 27 Ų | 27 | 52.9 Ų | 52.9 | 12% | 0.118 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -102.5 | -35.8 | -172.1 | -69 | -92.6 | 0 | 0 | 0 | 114.2 | F799 N800 I801 D843 W895 Y896 | F799-F803 AromaticContact CD2-CD2 3.9Å; F799-F803 HydrophobicContact CD2-CD2 3.9Å; F799-F803 AromaticContact CD2-CE2 3.79Å; F799-F803 HydrophobicContact CD2-CE2 3.79Å; F799-F803 HydrophobicContact CE2-CD2 4.04Å; F799-F803 AromaticContact CE2-CE2 3.94Å; F799-F803 HydrophobicContact CE2-CE2 3.94Å; F799-F803 HydrophobicContact CE2-CG 4.44Å; F799-F803 HydrophobicContact CE2-CZ 4.33Å; F799-F803 HydrophobicContact CG-CD2 4.34Å; F799-F803 WeakPolarHBondContact O-CB 3.23Å; F799-F803 WeakPolarHBondContact O-CD2 3.31Å; N800-F803 PolarHBondContact O-N 2.95Å; I801-F803 PolarHBondContact O-N 3.48Å; F803-D843 WeakPolarHBondContact CE1-OD1 3.2Å; F803-D843 WeakPolarHBondContact CZ-OD1 3.16Å; F803-W895 HydrophobicContact CD1-CZ3 4.06Å; F803-W895 HydrophobicContact CE1-CH2 4.15Å; F803-W895 HydrophobicContact CE1-CZ3 4.06Å; F803-Y896 HydrophobicContact CB-CD2 3.72Å; F803-Y896 HydrophobicContact CB-CE2 3.59Å; F803-Y896 HydrophobicContact CD1-CD2 4.44Å; F803-Y896 HydrophobicContact CG-CD2 4.3Å; F803-Y896 HydrophobicContact CG-CE2 4.31Å |
| 804 | L | 47.6 | Very low | 49.1 | Very low | 47 Ų | 47 | 54.6 Ų | 54.6 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -82.8 | -34.7 | -177.9 | -69.6 | 163 | 0 | 0 | 0 | 112.8 | N800 I892 Y896 | N800-L804 HydrophobicContact CB-CD1 3.97Å; N800-L804 WeakPolarHBondContact O-CB 3.4Å; N800-L804 WeakPolarHBondContact O-CG 3.47Å; N800-L804 PolarHBondContact O-N 2.75Å; L804-I892 HydrophobicContact CD2-CD1 4.05Å; L804-I892 HydrophobicContact CD2-CG1 3.91Å; L804-Y896 HydrophobicContact CD2-CE1 4.27Å |
| 805 | N | 44.7 | Very low | 46.9 | Very low | 43 Ų | 43 | 60 Ų | 60 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -86.1 | -17.6 | -174.3 | -74.6 | -20.1 | 0 | 0 | 0 | 114.6 | I724 I801 F807 | I724-N805 HydrophobicContact CB-CB 4.37Å; I724-N805 HydrophobicContact CG2-CB 3.35Å; I801-N805 PolarHBondContact O-N 3.12Å; N805-F807 PolarHBondContact O-N 3.32Å |
| 806 | Q | 42.6 | Very low | 45 | Very low | 67 Ų | 67 | 70.7 Ų | 70.7 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -70.1 | -13.5 | 177.8 | -77.3 | -172.1 | -17.1 | 0 | 0 | 113.9 | H760 L802 T809 I838 | H760-Q806 PolarHBondContact NE2-NE2 3.45Å; L802-Q806 WeakPolarHBondContact O-CG 3.48Å; L802-Q806 PolarHBondContact O-OE1 3.34Å; Q806-T809 PolarHBondContact O-OG1 3.35Å; Q806-I838 VanDerWaalsContact NE2-CD1 3.3Å |
| 807 | F | 35 | Very low | 43.3 | Very low | 63 Ų | 63 | 74.4 Ų | 74.4 | 28% | 0.276 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -100.9 | -9 | -175.7 | -86.3 | -84.8 | 0 | 0 | 0 | 115.5 | N805 Y836 Y893 | N805-F807 PolarHBondContact O-N 3.32Å; F807-Y836 WeakPolarHBondContact CE1-OH 3.42Å; F807-Y836 HydrophobicContact CZ-CE2 4.31Å; F807-Y836 AromaticContact CZ-CZ 3.82Å; F807-Y836 VanDerWaalsContact CZ-OH 3.23Å; F807-Y836 WeakPolarHBondContact CZ-OH 3.46Å; F807-Y893 AromaticContact CD1-CD2 3.71Å; F807-Y893 HydrophobicContact CD1-CD2 3.71Å; F807-Y893 AromaticContact CD1-CE2 3.47Å; F807-Y893 HydrophobicContact CD1-CE2 3.47Å; F807-Y893 VanDerWaalsContact CD1-CE2 3.47Å; F807-Y893 AromaticContact CE1-CD2 3.62Å; F807-Y893 HydrophobicContact CE1-CD2 3.62Å; F807-Y893 AromaticContact CE1-CE2 3.45Å; F807-Y893 HydrophobicContact CE1-CE2 3.45Å; F807-Y893 VanDerWaalsContact CE1-CE2 3.45Å; F807-Y893 HydrophobicContact CE1-CG 4.44Å; F807-Y893 HydrophobicContact CG-CD2 4.37Å; F807-Y893 HydrophobicContact CG-CE2 4.46Å; F807-Y893 HydrophobicContact CZ-CD2 4.21Å; F807-Y893 HydrophobicContact CZ-CE2 4.44Å |
| 808 | N | 32.2 | Very low | 41.4 | Very low | 104 Ų | 104 | 76 Ų | 76 | 56% | 0.556 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -82.8 | -11.8 | 176.8 | -80.1 | -15.8 | 0 | 0 | 0 | 113.5 | ||
| 809 | T | 33.4 | Very low | 39.6 | Very low | 71 Ų | 71 | 81.2 Ų | 81.2 | 44% | 0.436 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -87.4 | -3 | -173.2 | 38.5 | 0 | 0 | 0 | 0 | 115.7 | Q806 | Q806-T809 PolarHBondContact O-OG1 3.35Š|
| 810 | T | 32.3 | Very low | 37.7 | Very low | 106 Ų | 106 | 88 Ų | 88 | 65% | 0.65 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -105.4 | 5.6 | -171.3 | 42.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 811 | T | 29.7 | Very low | 36.1 | Very low | 118 Ų | 118 | 93.8 Ų | 93.8 | 72% | 0.724 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -114.3 | 7.1 | -170.9 | 44.6 | 0 | 0 | 0 | 0 | 116.4 | ||
| 812 | T | 27.5 | Very low | 34.4 | Very low | 113 Ų | 113 | 99.8 Ų | 99.8 | 69% | 0.693 | 56% | 0.561 | S | S | * | * | trans | -137.4 | 83.7 | -175.4 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 813 | T | 31.2 | Very low | 32.7 | Very low | 130 Ų | 130 | 106 Ų | 106 | 80% | 0.798 | 59% | 0.594 | S | S | * | * | trans | -169.1 | 100.5 | 145.3 | 41.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 814 | T | 28.9 | Very low | 31.5 | Very low | 113 Ų | 113 | 111.4 Ų | 111.4 | 69% | 0.693 | 62% | 0.624 | S | S | * | * | trans | -12.7 | 142.2 | 150.1 | 49.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 815 | D | 26.1 | Very low | 30.4 | Very low | 121 Ų | 121 | 114.6 Ų | 114.6 | 65% | 0.647 | 65% | 0.65 | S | S | * | * | trans | 48.2 | 117.6 | 133.4 | -55.9 | -28.7 | 0 | 0 | 0 | 120 | ||||
| 816 | Y | 30.7 | Very low | 29.6 | Very low | 227 Ų | 227 | 121 Ų | 121 | 89% | 0.89 | 68% | 0.678 | S | S | * | * | -172.9 | 118.2 | 119.7 | -101.7 | -72.6 | 0 | 0 | 0 | 112.6 | |||||
| 817 | S | 29.1 | Very low | 28.9 | Very low | 92 Ų | 92 | 122.5 Ų | 122.5 | 64% | 0.643 | 69% | 0.692 | S | S | * | * | trans | -31.1 | 136 | 164.8 | 53.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 818 | S | 28.1 | Very low | 28.4 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | trans | 46.1 | 118.8 | 132 | 71.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 819 | S | 29.6 | Very low | 28.2 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | -173.3 | 122.2 | 106.9 | 69.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 820 | N | 26.2 | Very low | 27.8 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | 25.8 | 108.5 | 142.3 | -68.4 | -6.5 | 0 | 0 | 0 | 118.7 | ||||
| 821 | N | 25.9 | Very low | 27.5 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | 163.4 | 130.5 | 104.9 | -85 | -31.5 | 0 | 0 | 0 | 110.1 | |||||
| 822 | N | 25.2 | Very low | 27.4 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | 47.8 | 111 | 146.7 | -62.8 | -17.2 | 0 | 0 | 0 | 118.6 | ||||
| 823 | N | 25.8 | Very low | 27.4 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 69.9 | 136.6 | 154.8 | -55.5 | -18 | 0 | 0 | 0 | 115 | ||
| 824 | D | 29.6 | Very low | 27.2 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | trans | 87.6 | 17.7 | 166.6 | -50.8 | -23.4 | 0 | 0 | 0 | 120.1 | H826 | D824-H826 VanDerWaalsContact C-N 3.34Å; D824-H826 PolarHBondContact O-N 3.03Å | ||
| 825 | S | 24.9 | Very low | 27.3 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -83.2 | 4.2 | 174.1 | 61.2 | 0 | 0 | 0 | 0 | 116 | V827 | S825-V827 PolarHBondContact O-N 3.09Š|
| 826 | H | 27.6 | Very low | 27.4 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 82% | 0.819 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -81.7 | 5 | 173.7 | -113.3 | -61.4 | 0 | 0 | 0 | 114.3 | D824 | D824-H826 VanDerWaalsContact C-N 3.34Å; D824-H826 PolarHBondContact O-N 3.03Å |
| 827 | V | 28.6 | Very low | 27.5 | Very low | 100 Ų | 100 | 130 Ų | 130 | 61% | 0.606 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -102 | -8.5 | -173.6 | 179.1 | 0 | 0 | 0 | 0 | 113.5 | S825 | S825-V827 PolarHBondContact O-N 3.09Š|
| 828 | Q | 24.7 | Very low | 28 | Very low | 177 Ų | 177 | 127.2 Ų | 127.2 | 83% | 0.827 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -100.1 | -2.3 | -173.7 | -76.6 | -177.5 | -12.2 | 0 | 0 | 116.5 | ||
| 829 | L | 26 | Very low | 28.9 | Very low | 147 Ų | 147 | 122.9 Ų | 122.9 | 77% | 0.77 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -103.1 | -7.5 | 171.5 | -99.9 | 137.9 | 0 | 0 | 0 | 114 | ||
| 830 | M | 25.6 | Very low | 29.8 | Very low | 132 Ų | 132 | 122.1 Ų | 122.1 | 65% | 0.65 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -7.3 | -179.3 | -83 | -91.2 | 162.8 | 0 | 0 | 114.6 | ||
| 831 | N | 26.8 | Very low | 30.9 | Very low | 119 Ų | 119 | 117.1 Ų | 117.1 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -9.1 | 178 | -85 | -11.2 | 0 | 0 | 0 | 114.2 | ||
| 832 | N | 27.6 | Very low | 32.2 | Very low | 124 Ų | 124 | 110.7 Ų | 110.7 | 66% | 0.663 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -92.5 | -9.4 | 175.7 | -75.9 | -11.3 | 0 | 0 | 0 | 113.5 | I834 | N832-I834 PolarHBondContact O-N 3.35Š|
| 833 | D | 27.9 | Very low | 33.6 | Very low | 92 Ų | 92 | 104.3 Ų | 104.3 | 49% | 0.492 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -73.8 | -5.6 | 174.2 | -71.3 | -31.8 | 0 | 0 | 0 | 113.2 | Q835 Y836 | D833-Q835 VanDerWaalsContact C-N 3.25Å; D833-Q835 PolarHBondContact O-N 2.89Å; D833-Y836 PolarHBondContact O-N 3.12Å |
| 834 | I | 27.2 | Very low | 35 | Very low | 129 Ų | 129 | 100.5 Ų | 100.5 | 66% | 0.662 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -75.1 | -11.6 | 178.2 | -62.7 | 174.8 | 0 | 0 | 0 | 112.3 | N832 | N832-I834 PolarHBondContact O-N 3.35Š|
| 835 | Q | 29.4 | Very low | 36.5 | Very low | 123 Ų | 123 | 94 Ų | 94 | 58% | 0.575 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -91.5 | -10.1 | 176 | -76.3 | -179 | -10 | 0 | 0 | 114.8 | D833 L837 | D833-Q835 VanDerWaalsContact C-N 3.25Å; D833-Q835 PolarHBondContact O-N 2.89Å; Q835-L837 VanDerWaalsContact C-N 3.3Å; Q835-L837 PolarHBondContact O-N 3.05Å |
| 836 | Y | 29.8 | Very low | 38.3 | Very low | 156 Ų | 156 | 88.8 Ų | 88.8 | 61% | 0.612 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 4.8 | -178.3 | -108.6 | -92.7 | 0 | 0 | 0 | 114.5 | F807 D833 | F807-Y836 WeakPolarHBondContact CE1-OH 3.42Å; F807-Y836 HydrophobicContact CZ-CE2 4.31Å; F807-Y836 AromaticContact CZ-CZ 3.82Å; F807-Y836 VanDerWaalsContact CZ-OH 3.23Å; F807-Y836 WeakPolarHBondContact CZ-OH 3.46Å; D833-Y836 PolarHBondContact O-N 3.12Å |
| 837 | L | 31.1 | Very low | 40 | Very low | 124 Ų | 124 | 80.9 Ų | 80.9 | 65% | 0.649 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 26.6 | -175.3 | -110.3 | 157 | 0 | 0 | 0 | 113.7 | R764 Q835 S839 | R764-L837 PolarHBondContact NH2-O 3.14Å; Q835-L837 VanDerWaalsContact C-N 3.3Å; Q835-L837 PolarHBondContact O-N 3.05Å; L837-S839 WeakPolarHBondContact O-CB 2.89Å; L837-S839 PolarHBondContact O-N 3.18Å; L837-S839 VanDerWaalsContact O-N 3.15Å |
| 838 | I | 41.2 | Very low | 41.6 | Very low | 34 Ų | 34 | 79.4 Ų | 79.4 | 17% | 0.174 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -77.4 | 45.9 | 148.1 | -51.2 | 167.7 | 0 | 0 | 0 | 107.2 | H760 Q806 V842 | H760-I838 VanDerWaalsContact CD2-CD1 3.4Å; H760-I838 WeakPolarHBondContact CD2-CD1 3.24Å; Q806-I838 VanDerWaalsContact NE2-CD1 3.3Å; I838-V842 HydrophobicContact CG2-CB 4.44Å; I838-V842 HydrophobicContact CG2-CG2 4.42Å |
| 839 | S | 46.2 | Very low | 43.5 | Very low | 19 Ų | 19 | 71 Ų | 71 | 13% | 0.133 | 36% | 0.356 | C | S | . | . | 54.3 | 112.3 | 113.4 | 81.7 | 0 | 0 | 0 | 0 | 112.9 | L837 E841 V842 | L837-S839 WeakPolarHBondContact O-CB 2.89Å; L837-S839 PolarHBondContact O-N 3.18Å; L837-S839 VanDerWaalsContact O-N 3.15Å; S839-E841 PolarHBondContact O-N 3.38Å; S839-V842 PolarHBondContact O-N 2.95Å; S839-V842 VanDerWaalsContact O-N 3.08Å | |||
| 840 | N | 48.1 | Very low | 45.4 | Very low | 95 Ų | 95 | 64 Ų | 64 | 51% | 0.508 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -40.7 | -25 | 170.6 | -74.7 | -37.6 | 0 | 0 | 0 | 113.8 | D843 I844 R899 | N840-D843 WeakPolarHBondContact O-CB 3.05Å; N840-I844 HydrophobicContact CB-CD1 4.28Å; N840-I844 WeakPolarHBondContact O-CB 3.36Å; N840-I844 WeakPolarHBondContact O-CD1 3.12Å; N840-I844 WeakPolarHBondContact O-CG1 3.34Å; N840-I844 PolarHBondContact O-N 3.04Å; N840-R899 PolarHBondContact OD1-NH2 3.17Å |
| 841 | E | 48.8 | Very low | 47.1 | Very low | 39 Ų | 39 | 61 Ų | 61 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.2 | -49.7 | 179 | -63.4 | 178.5 | 159.1 | 0 | 0 | 114.1 | F655 S839 D843 I844 I845 | F655-E841 VanDerWaalsContact CD1-OE1 3.28Å; F655-E841 WeakPolarHBondContact CD1-OE1 3.01Å; F655-E841 WeakPolarHBondContact CE1-OE1 2.78Å; F655-E841 WeakPolarHBondContact CE1-OE2 2.85Å; S839-E841 PolarHBondContact O-N 3.38Å; E841-D843 PolarHBondContact O-N 3.14Å; E841-I844 PolarHBondContact O-N 2.89Å; E841-I845 WeakPolarHBondContact O-CB 3.44Å; E841-I845 WeakPolarHBondContact O-CD1 3.46Å; E841-I845 WeakPolarHBondContact O-CG1 3.5Å; E841-I845 PolarHBondContact O-N 2.93Å |
| 842 | V | 54.7 | Low | 48.8 | Very low | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.024 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.1 | -38.6 | -179.3 | 176.5 | 0 | 0 | 0 | 0 | 110.1 | R764 I767 I838 S839 L846 | R764-V842 HydrophobicContact CG-CG2 3.81Å; I767-V842 HydrophobicContact CD1-CG1 3.44Å; I767-V842 VanDerWaalsContact CD1-CG1 3.44Å; I767-V842 HydrophobicContact CG2-CG1 4.3Å; I838-V842 HydrophobicContact CG2-CB 4.44Å; I838-V842 HydrophobicContact CG2-CG2 4.42Å; S839-V842 PolarHBondContact O-N 2.95Å; S839-V842 VanDerWaalsContact O-N 3.08Å; V842-L846 HydrophobicContact CG1-CD1 4.3Å; V842-L846 WeakPolarHBondContact O-CB 3.46Å; V842-L846 PolarHBondContact O-N 3.31Å |
| 843 | D | 54.3 | Low | 50.6 | Low | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -56.1 | 175.6 | -59.4 | -61.7 | 0 | 0 | 0 | 111.7 | F803 N840 E841 I845 L846 F847 R899 | F803-D843 WeakPolarHBondContact CE1-OD1 3.2Å; F803-D843 WeakPolarHBondContact CZ-OD1 3.16Å; N840-D843 WeakPolarHBondContact O-CB 3.05Å; E841-D843 PolarHBondContact O-N 3.14Å; D843-I845 VanDerWaalsContact C-N 3.27Å; D843-I845 PolarHBondContact O-N 3.24Å; D843-L846 PolarHBondContact O-N 3.39Å; D843-L846 VanDerWaalsContact O-N 3.12Å; D843-F847 HydrophobicContact CB-CD2 4.35Å; D843-F847 HydrophobicContact CB-CE2 4.15Å; D843-F847 WeakPolarHBondContact O-CD2 3.27Å; D843-F847 PolarHBondContact O-N 3.08Å; D843-R899 IonicContact OD1-CZ 2.74Å; D843-R899 IonicContact OD1-NH1 3.41Å; D843-R899 PolarHBondContact OD1-NH1 3.44Å; D843-R899 IonicContact OD2-CZ 3.25Å; D843-R899 IonicContact OD2-NH1 3.79Å; D843-R899 PolarHBondContact OD2-NH1 3.44Å; D843-R899 IonicContact OD2-NH2 3.61Å; D843-R899 PolarHBondContact OD2-NH2 3.41Å |
| 844 | I | 55.4 | Low | 52.1 | Low | 65 Ų | 65 | 47.6 Ų | 47.6 | 33% | 0.333 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.1 | -41.5 | -178.9 | -64.8 | 159.1 | 0 | 0 | 0 | 109.8 | W682 N840 E841 L846 F847 E848 | W682-I844 HydrophobicContact CH2-CB 4.25Å; W682-I844 HydrophobicContact CH2-CD1 4.24Å; W682-I844 HydrophobicContact CH2-CG2 3.58Å; W682-I844 HydrophobicContact CZ2-CG2 4.38Å; W682-I844 HydrophobicContact CZ3-CG2 4.44Å; N840-I844 HydrophobicContact CB-CD1 4.28Å; N840-I844 WeakPolarHBondContact O-CB 3.36Å; N840-I844 WeakPolarHBondContact O-CD1 3.12Å; N840-I844 WeakPolarHBondContact O-CG1 3.34Å; N840-I844 PolarHBondContact O-N 3.04Å; E841-I844 PolarHBondContact O-N 2.89Å; I844-L846 PolarHBondContact O-N 2.75Å; I844-F847 PolarHBondContact O-N 3.09Å; I844-E848 HydrophobicContact CG2-CG 4.13Å; I844-E848 WeakPolarHBondContact CG2-OE1 3.2Å; I844-E848 WeakPolarHBondContact O-CB 3.36Å; I844-E848 WeakPolarHBondContact O-CG 3.42Å; I844-E848 PolarHBondContact O-N 3.06Å |
| 845 | I | 60 | Low | 53.5 | Low | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.2 | -47.4 | 174.9 | -70.4 | 165.2 | 0 | 0 | 0 | 110.6 | I767 H768 Y771 E841 D843 F847 E848 L849 | I767-I845 HydrophobicContact CG2-CB 4.17Å; I767-I845 HydrophobicContact CG2-CG2 3.48Å; I767-I845 VanDerWaalsContact CG2-CG2 3.48Å; H768-I845 WeakPolarHBondContact CE1-CD1 3.29Å; Y771-I845 HydrophobicContact CD2-CB 4.43Å; Y771-I845 HydrophobicContact CD2-CG1 4.33Å; Y771-I845 HydrophobicContact CD2-CG2 3.73Å; Y771-I845 HydrophobicContact CG-CG1 4.32Å; Y771-I845 HydrophobicContact CG-CG2 3.81Å; E841-I845 WeakPolarHBondContact O-CB 3.44Å; E841-I845 WeakPolarHBondContact O-CD1 3.46Å; E841-I845 WeakPolarHBondContact O-CG1 3.5Å; E841-I845 PolarHBondContact O-N 2.93Å; D843-I845 VanDerWaalsContact C-N 3.27Å; D843-I845 PolarHBondContact O-N 3.24Å; I845-F847 PolarHBondContact O-N 3.38Å; I845-E848 PolarHBondContact O-N 2.87Å; I845-L849 HydrophobicContact CG2-CD1 3.93Å; I845-L849 HydrophobicContact CG2-CG 4.21Å; I845-L849 WeakPolarHBondContact O-CB 3.24Å; I845-L849 WeakPolarHBondContact O-CG 3.48Å; I845-L849 PolarHBondContact O-N 3.01Å |
| 846 | L | 63.6 | Low | 54.7 | Low | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63 | -40.8 | 177.1 | -115.7 | 104 | 0 | 0 | 0 | 112.4 | I767 I795 F799 V842 D843 I844 L849 I850 | I767-L846 HydrophobicContact CD1-CD1 3.69Å; I767-L846 HydrophobicContact CG1-CD1 4.08Å; I767-L846 HydrophobicContact CG2-CD1 4Å; I795-L846 HydrophobicContact CG2-CD2 3.88Å; I795-L846 HydrophobicContact CG2-CG 4.21Å; F799-L846 HydrophobicContact CB-CD2 3.57Å; F799-L846 HydrophobicContact CD2-CD2 3.88Å; F799-L846 HydrophobicContact CG-CD2 4.19Å; V842-L846 HydrophobicContact CG1-CD1 4.3Å; V842-L846 WeakPolarHBondContact O-CB 3.46Å; V842-L846 PolarHBondContact O-N 3.31Å; D843-L846 PolarHBondContact O-N 3.39Å; D843-L846 VanDerWaalsContact O-N 3.12Å; I844-L846 PolarHBondContact O-N 2.75Å; L846-L849 PolarHBondContact O-N 3.35Å; L846-I850 VanDerWaalsContact O-CG1 3.25Å; L846-I850 WeakPolarHBondContact O-CG1 3.15Å; L846-I850 PolarHBondContact O-N 2.85Å |
| 847 | F | 62.1 | Low | 55.7 | Low | 12 Ų | 12 | 37 Ų | 37 | 5% | 0.053 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 175.2 | -72.9 | -63.8 | 0 | 0 | 0 | 111.8 | F799 D843 I844 I845 I850 H851 R899 Y902 L903 | F799-F847 HydrophobicContact CE2-CE1 4.2Å; F799-F847 HydrophobicContact CE2-CE2 4.09Å; F799-F847 AromaticContact CE2-CZ 3.48Å; F799-F847 HydrophobicContact CE2-CZ 3.48Å; F799-F847 VanDerWaalsContact CE2-CZ 3.48Å; F799-F847 HydrophobicContact CZ-CE1 4.21Å; F799-F847 AromaticContact CZ-CZ 3.6Å; F799-F847 HydrophobicContact CZ-CZ 3.6Å; D843-F847 HydrophobicContact CB-CD2 4.35Å; D843-F847 HydrophobicContact CB-CE2 4.15Å; D843-F847 WeakPolarHBondContact O-CD2 3.27Å; D843-F847 PolarHBondContact O-N 3.08Å; I844-F847 PolarHBondContact O-N 3.09Å; I845-F847 PolarHBondContact O-N 3.38Å; F847-I850 PolarHBondContact O-N 3.32Å; F847-H851 WeakPolarHBondContact O-CB 3.26Å; F847-H851 PolarHBondContact O-N 3.28Å; F847-R899 HydrophobicContact CE1-CB 4.41Å; F847-R899 WeakPolarHBondContact CE1-O 3.36Å; F847-R899 HydrophobicContact CE2-CB 3.92Å; F847-R899 HydrophobicContact CE2-CG 4.24Å; F847-R899 HydrophobicContact CZ-CB 3.55Å; F847-R899 HydrophobicContact CZ-CG 4.36Å; F847-Y902 HydrophobicContact CB-CE1 4.27Å; F847-Y902 HydrophobicContact CD1-CD1 4.13Å; F847-Y902 HydrophobicContact CG-CD1 4.22Å; F847-Y902 HydrophobicContact CG-CE1 4.45Å; F847-L903 HydrophobicContact CD1-CB 4.01Å; F847-L903 HydrophobicContact CD1-CD1 3.35Å; F847-L903 HydrophobicContact CD1-CG 4.29Å; F847-L903 HydrophobicContact CE1-CB 3.82Å; F847-L903 HydrophobicContact CE1-CD1 3.61Å; F847-L903 HydrophobicContact CE1-CG 4.33Å |
| 848 | E | 62.7 | Low | 56.5 | Low | 68 Ų | 68 | 35.8 Ų | 35.8 | 32% | 0.318 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.6 | -42.2 | 176 | -76.5 | -177.6 | -170.4 | 0 | 0 | 111.9 | Y771 I844 I845 H851 Y852 | Y771-E848 HydrophobicContact CE2-CB 4.2Å; Y771-E848 WeakPolarHBondContact CE2-OE2 3.46Å; Y771-E848 PolarHBondContact OH-OE2 3.34Å; I844-E848 HydrophobicContact CG2-CG 4.13Å; I844-E848 WeakPolarHBondContact CG2-OE1 3.2Å; I844-E848 WeakPolarHBondContact O-CB 3.36Å; I844-E848 WeakPolarHBondContact O-CG 3.42Å; I844-E848 PolarHBondContact O-N 3.06Å; I845-E848 PolarHBondContact O-N 2.87Å; E848-H851 PolarHBondContact O-N 3.48Å; E848-Y852 WeakPolarHBondContact O-CB 3.35Å; E848-Y852 PolarHBondContact O-N 3.05Å |
| 849 | L | 65.7 | Low | 56.5 | Low | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.6 | -48.8 | 174 | -70.9 | 171.1 | 0 | 0 | 0 | 110.4 | L770 Y771 I774 I845 L846 Y852 F853 | L770-L849 HydrophobicContact CB-CD1 4.12Å; L770-L849 HydrophobicContact CB-CD2 4.32Å; Y771-L849 HydrophobicContact CD2-CD2 4.39Å; I774-L849 HydrophobicContact CB-CD2 4.17Å; I774-L849 HydrophobicContact CD1-CB 4.45Å; I774-L849 HydrophobicContact CD1-CD2 3.22Å; I774-L849 HydrophobicContact CD1-CG 4.41Å; I774-L849 HydrophobicContact CG1-CD2 3.86Å; I845-L849 HydrophobicContact CG2-CD1 3.93Å; I845-L849 HydrophobicContact CG2-CG 4.21Å; I845-L849 WeakPolarHBondContact O-CB 3.24Å; I845-L849 WeakPolarHBondContact O-CG 3.48Å; I845-L849 PolarHBondContact O-N 3.01Å; L846-L849 PolarHBondContact O-N 3.35Å; L849-Y852 PolarHBondContact O-N 3.15Å; L849-F853 WeakPolarHBondContact O-CD2 3.43Å; L849-F853 PolarHBondContact O-N 3.36Å |
| 850 | I | 64.3 | Low | 56.3 | Low | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -41.9 | 179.8 | -63.5 | 164.6 | 0 | 0 | 0 | 110.9 | I795 I796 L846 F847 C854 L903 I907 | I795-I850 HydrophobicContact CG2-CD1 4.14Å; I795-I850 HydrophobicContact CG2-CG1 3.83Å; I796-I850 HydrophobicContact CG1-CD1 4.21Å; L846-I850 VanDerWaalsContact O-CG1 3.25Å; L846-I850 WeakPolarHBondContact O-CG1 3.15Å; L846-I850 PolarHBondContact O-N 2.85Å; F847-I850 PolarHBondContact O-N 3.32Å; I850-C854 WeakPolarHBondContact O-CB 3.39Å; I850-C854 PolarHBondContact O-N 2.61Å; I850-C854 PolarHBondContact O-SG 2.9Å; I850-L903 HydrophobicContact CB-CD1 3.84Å; I850-L903 HydrophobicContact CD1-CD1 3.54Å; I850-L903 HydrophobicContact CG1-CD1 4.28Å; I850-L903 HydrophobicContact CG2-CD1 3.68Å; I850-L903 HydrophobicContact CG2-CD2 4.45Å; I850-L903 HydrophobicContact CG2-CG 4.29Å; I850-I907 HydrophobicContact CG2-CD1 3.86Å |
| 851 | H | 61.4 | Low | 56 | Low | 69 Ų | 69 | 50.7 Ų | 50.7 | 32% | 0.319 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 174.3 | 179.4 | -68.5 | 0 | 0 | 0 | 111.3 | F847 E848 C854 F855 I906 | F847-H851 WeakPolarHBondContact O-CB 3.26Å; F847-H851 PolarHBondContact O-N 3.28Å; E848-H851 PolarHBondContact O-N 3.48Å; H851-C854 PolarHBondContact O-N 2.99Å; H851-F855 PolarHBondContact O-N 3.47Å; H851-F855 VanDerWaalsContact O-N 3.09Å; H851-I906 HydrophobicContact CB-CG2 4.21Å; H851-I906 WeakPolarHBondContact CD2-CG2 3.38Å |
| 852 | Y | 64 | Low | 55.6 | Low | 39 Ų | 39 | 54.5 Ų | 54.5 | 15% | 0.153 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -49.8 | -179 | -177 | -86.4 | 0 | 0 | 0 | 111.6 | I774 I780 L783 E848 L849 C854 F855 N856 | I774-Y852 HydrophobicContact CB-CD1 4.44Å; I774-Y852 HydrophobicContact CD1-CD1 4.13Å; I774-Y852 HydrophobicContact CG1-CD1 4.5Å; I774-Y852 HydrophobicContact CG2-CD1 3.27Å; I774-Y852 HydrophobicContact CG2-CD2 3.59Å; I774-Y852 HydrophobicContact CG2-CE1 3.55Å; I774-Y852 HydrophobicContact CG2-CE2 3.84Å; I774-Y852 HydrophobicContact CG2-CG 3.29Å; I780-Y852 WeakPolarHBondContact CG1-OH 3.4Å; L783-Y852 HydrophobicContact CD1-CE1 4.38Å; E848-Y852 WeakPolarHBondContact O-CB 3.35Å; E848-Y852 PolarHBondContact O-N 3.05Å; L849-Y852 PolarHBondContact O-N 3.15Å; Y852-C854 VanDerWaalsContact C-N 3.27Å; Y852-C854 PolarHBondContact O-N 3.05Å; Y852-F855 PolarHBondContact O-N 3.49Å; Y852-N856 HydrophobicContact CD2-CB 3.61Å; Y852-N856 HydrophobicContact CE2-CB 3.83Å; Y852-N856 HydrophobicContact CG-CB 4.12Å; Y852-N856 PolarHBondContact O-N 2.88Å |
| 853 | F | 64.4 | Low | 55.2 | Low | 10 Ų | 10 | 62.2 Ų | 62.2 | 4% | 0.044 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.3 | -31.7 | -179.7 | -77.5 | -54.4 | 0 | 0 | 0 | 113.5 | I774 L783 L788 L791 I792 I795 L849 | I774-F853 HydrophobicContact CD1-CD1 4.34Å; I774-F853 HydrophobicContact CD1-CD2 3.84Å; I774-F853 HydrophobicContact CD1-CE1 3.77Å; I774-F853 HydrophobicContact CD1-CE2 3.16Å; I774-F853 HydrophobicContact CD1-CG 4.39Å; I774-F853 HydrophobicContact CD1-CZ 3.14Å; I774-F853 HydrophobicContact CG1-CE2 4.43Å; I774-F853 HydrophobicContact CG1-CZ 4.03Å; L783-F853 HydrophobicContact CD2-CE1 3.89Å; L788-F853 HydrophobicContact CD1-CD1 3.53Å; L788-F853 HydrophobicContact CD1-CE1 3.67Å; L788-F853 HydrophobicContact CG-CD1 4.28Å; L791-F853 HydrophobicContact CD2-CE1 3.94Å; L791-F853 HydrophobicContact CD2-CE2 4.11Å; L791-F853 HydrophobicContact CD2-CZ 3.44Å; L791-F853 VanDerWaalsContact CD2-CZ 3.44Å; L791-F853 HydrophobicContact CG-CZ 4.36Å; I792-F853 HydrophobicContact CD1-CB 3.88Å; I792-F853 HydrophobicContact CG1-CB 3.75Å; I792-F853 HydrophobicContact CG1-CD2 4.47Å; I792-F853 HydrophobicContact CG1-CG 4.14Å; I795-F853 HydrophobicContact CD1-CD2 3.91Å; I795-F853 HydrophobicContact CD1-CE2 3.43Å; I795-F853 VanDerWaalsContact CD1-CE2 3.43Å; I795-F853 HydrophobicContact CD1-CZ 4.41Å; L849-F853 WeakPolarHBondContact O-CD2 3.43Å; L849-F853 PolarHBondContact O-N 3.36Å |
| 854 | C | 60.4 | Low | 55.4 | Low | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.02 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -81.7 | -27.2 | -179 | -64 | 0 | 0 | 0 | 0 | 113.3 | I850 H851 Y852 N875 | I850-C854 WeakPolarHBondContact O-CB 3.39Å; I850-C854 PolarHBondContact O-N 2.61Å; I850-C854 PolarHBondContact O-SG 2.9Å; H851-C854 PolarHBondContact O-N 2.99Å; Y852-C854 VanDerWaalsContact C-N 3.27Å; Y852-C854 PolarHBondContact O-N 3.05Å; C854-N875 PolarHBondContact O-ND2 3.24Å |
| 855 | F | 56.1 | Low | 55.6 | Low | 39 Ų | 39 | 65.3 Ų | 65.3 | 17% | 0.171 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -138.6 | -21.6 | -168.5 | -60.3 | -70.2 | 0 | 0 | 0 | 118.4 | H851 Y852 Q857 I907 S910 S911 | H851-F855 PolarHBondContact O-N 3.47Å; H851-F855 VanDerWaalsContact O-N 3.09Å; Y852-F855 PolarHBondContact O-N 3.49Å; F855-Q857 VanDerWaalsContact C-N 3.31Å; F855-Q857 PolarHBondContact O-N 3.48Å; F855-I907 VanDerWaalsContact CE2-CA 3.47Å; F855-I907 HydrophobicContact CE2-CB 4Å; F855-I907 HydrophobicContact CE2-CG1 4.09Å; F855-I907 HydrophobicContact CE2-CG2 3.93Å; F855-I907 HydrophobicContact CZ-CB 4.23Å; F855-I907 HydrophobicContact CZ-CG2 3.78Å; F855-I907 WeakPolarHBondContact CZ-O 3.39Å; F855-S910 WeakPolarHBondContact CD1-OG 3.39Å; F855-S910 WeakPolarHBondContact CD2-OG 3.38Å; F855-S910 WeakPolarHBondContact CE1-OG 3.45Å; F855-S910 WeakPolarHBondContact CE2-OG 3.27Å; F855-S910 VanDerWaalsContact CG-CB 3.49Å; F855-S910 WeakPolarHBondContact CG-OG 3.3Å; F855-S910 WeakPolarHBondContact CZ-OG 3.29Å; F855-S911 VanDerWaalsContact CE1-N 3.26Å |
| 856 | N | 54.3 | Low | 55.6 | Low | 67 Ų | 67 | 68.3 Ų | 68.3 | 36% | 0.358 | 35% | 0.347 | S | S | . | . | trans | -92.7 | 25.3 | -177.7 | -86.7 | 6.5 | 0 | 0 | 0 | 113.8 | Y852 D858 | Y852-N856 HydrophobicContact CD2-CB 3.61Å; Y852-N856 HydrophobicContact CE2-CB 3.83Å; Y852-N856 HydrophobicContact CG-CB 4.12Å; Y852-N856 PolarHBondContact O-N 2.88Å; N856-D858 PolarHBondContact O-N 3.47Å | ||
| 857 | Q | 51.8 | Low | 55.6 | Low | 80 Ų | 80 | 74.8 Ų | 74.8 | 37% | 0.374 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -73.1 | 73 | 157.6 | -71.8 | -166.1 | -26 | 0 | 0 | 108.4 | F855 N859 | F855-Q857 VanDerWaalsContact C-N 3.31Å; F855-Q857 PolarHBondContact O-N 3.48Å; Q857-N859 PolarHBondContact O-N 3.26Å; Q857-N859 VanDerWaalsContact O-N 3.09Å |
| 858 | D | 46.1 | Very low | 55.6 | Low | 98 Ų | 98 | 77.9 Ų | 77.9 | 52% | 0.524 | 39% | 0.389 | S | S | . | . | trans | -49.7 | 113.7 | 178.6 | -88.3 | -43 | 0 | 0 | 0 | 111.1 | N856 H860 | N856-D858 PolarHBondContact O-N 3.47Å; D858-H860 PolarHBondContact O-N 3.42Å | ||
| 859 | N | 42.6 | Very low | 55.8 | Low | 144 Ų | 144 | 74.8 Ų | 74.8 | 77% | 0.77 | 38% | 0.375 | S | S | * | . | 50.2 | 19.4 | 120.6 | -68.2 | -43.2 | 0 | 0 | 0 | 119.6 | Q857 N861 | Q857-N859 PolarHBondContact O-N 3.26Å; Q857-N859 VanDerWaalsContact O-N 3.09Å; N859-N861 PolarHBondContact O-N 2.88Å | |||
| 860 | H | 41 | Very low | 55.9 | Low | 163 Ų | 163 | 79.9 Ų | 79.9 | 76% | 0.755 | 40% | 0.397 | S | S | * | . | trans | -89.3 | 88.2 | 172.5 | -79.9 | -55.1 | 0 | 0 | 0 | 111.8 | D858 D862 | D858-H860 PolarHBondContact O-N 3.42Å; H860-D862 VanDerWaalsContact C-N 3.27Å; H860-D862 PolarHBondContact O-N 3.48Å | ||
| 861 | N | 42.1 | Very low | 55.9 | Low | 155 Ų | 155 | 82.1 Ų | 82.1 | 83% | 0.829 | 41% | 0.407 | S | S | * | . | S | Bend | trans | 47.7 | 2.4 | 143.6 | -81.5 | -6.6 | 0 | 0 | 0 | 122.9 | N859 | N859-N861 PolarHBondContact O-N 2.88Š|
| 862 | D | 40.4 | Very low | 56.2 | Low | 118 Ų | 118 | 79.1 Ų | 79.1 | 63% | 0.631 | 39% | 0.394 | S | S | * | . | trans | -97.9 | 107.3 | 176.6 | -81.4 | -6.9 | 0 | 0 | 0 | 111.2 | H860 N864 | H860-D862 VanDerWaalsContact C-N 3.27Å; H860-D862 PolarHBondContact O-N 3.48Å; D862-N864 PolarHBondContact O-N 3.49Å | ||
| 863 | N | 47.1 | Very low | 56.5 | Low | 166 Ų | 166 | 79.5 Ų | 79.5 | 89% | 0.888 | 40% | 0.396 | S | S | * | . | trans | -58 | 24.2 | 175 | -78.2 | -25.9 | 0 | 0 | 0 | 115.5 | L865 | N863-L865 VanDerWaalsContact C-N 3.33Å; N863-L865 PolarHBondContact O-N 2.99Å | ||
| 864 | N | 57.5 | Low | 56.6 | Low | 86 Ų | 86 | 81.2 Ų | 81.2 | 46% | 0.46 | 41% | 0.406 | S | S | . | . | trans | -85.3 | 76.8 | 179.2 | -100.5 | -31.8 | 0 | 0 | 0 | 111 | D862 L866 K867 Q868 | D862-N864 PolarHBondContact O-N 3.49Å; N864-L866 PolarHBondContact O-N 3.42Å; N864-L866 VanDerWaalsContact O-N 3.08Å; N864-K867 HydrophobicContact CB-CB 4.31Å; N864-K867 HydrophobicContact CB-CD 4.22Å; N864-K867 HydrophobicContact CB-CG 4.14Å; N864-K867 WeakPolarHBondContact O-CB 3.16Å; N864-K867 PolarHBondContact O-N 3.42Å; N864-Q868 PolarHBondContact O-N 2.97Å | ||
| 865 | L | 59.3 | Low | 56.9 | Low | 45 Ų | 45 | 81.2 Ų | 81.2 | 24% | 0.236 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -47.3 | -35.5 | 172.4 | -157.6 | 145.9 | 0 | 0 | 0 | 111.9 | N863 K867 Q868 L869 L918 | N863-L865 VanDerWaalsContact C-N 3.33Å; N863-L865 PolarHBondContact O-N 2.99Å; L865-K867 PolarHBondContact O-N 2.84Å; L865-Q868 PolarHBondContact O-N 2.88Å; L865-L869 HydrophobicContact CD2-CD1 3.52Å; L865-L869 HydrophobicContact CD2-CG 3.91Å; L865-L869 WeakPolarHBondContact O-CG 3.4Å; L865-L869 PolarHBondContact O-N 3.38Å; L865-L918 HydrophobicContact CD1-CD2 4.01Å; L865-L918 HydrophobicContact CG-CD2 3.9Å |
| 866 | L | 60.7 | Low | 57.5 | Low | 68 Ų | 68 | 79.4 Ų | 79.4 | 36% | 0.356 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 175.9 | -171.9 | 69.1 | 0 | 0 | 0 | 113.7 | N864 K870 Y946 | N864-L866 PolarHBondContact O-N 3.42Å; N864-L866 VanDerWaalsContact O-N 3.08Å; L866-K870 VanDerWaalsContact O-CB 3.32Å; L866-K870 WeakPolarHBondContact O-CB 2.91Å; L866-K870 PolarHBondContact O-N 2.97Å; L866-Y946 HydrophobicContact CD1-CD2 3.61Å; L866-Y946 HydrophobicContact CD1-CE2 3.63Å |
| 867 | K | 62.7 | Low | 58.2 | Low | 138 Ų | 138 | 79 Ų | 79 | 60% | 0.6 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66.6 | -43.4 | 177.4 | -78.6 | -174.6 | 177.8 | -177.8 | 0 | 110.5 | N864 L865 K870 Q871 | N864-K867 HydrophobicContact CB-CB 4.31Å; N864-K867 HydrophobicContact CB-CD 4.22Å; N864-K867 HydrophobicContact CB-CG 4.14Å; N864-K867 WeakPolarHBondContact O-CB 3.16Å; N864-K867 PolarHBondContact O-N 3.42Å; L865-K867 PolarHBondContact O-N 2.84Å; K867-K870 PolarHBondContact O-N 3.42Å; K867-Q871 WeakPolarHBondContact O-CB 3.49Å; K867-Q871 PolarHBondContact O-N 3.2Å |
| 868 | Q | 63.3 | Low | 58.9 | Low | 77 Ų | 77 | 76.5 Ų | 76.5 | 36% | 0.36 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65 | -45.1 | 178.5 | -67.7 | -179 | -13.1 | 0 | 0 | 111.4 | N864 L865 K870 Q871 I872 L918 | N864-Q868 PolarHBondContact O-N 2.97Å; L865-Q868 PolarHBondContact O-N 2.88Å; Q868-K870 VanDerWaalsContact C-N 3.34Å; Q868-K870 PolarHBondContact O-N 3.37Å; Q868-Q871 PolarHBondContact O-N 3.44Å; Q868-I872 WeakPolarHBondContact O-CD1 3.3Å; Q868-I872 VanDerWaalsContact O-CG1 3.22Å; Q868-I872 WeakPolarHBondContact O-CG1 3.44Å; Q868-I872 PolarHBondContact O-N 3.13Å; Q868-L918 HydrophobicContact CB-CD1 4.34Å |
| 869 | L | 66.4 | Low | 59.8 | Low | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 174.4 | -70.8 | 180 | 0 | 0 | 0 | 112.3 | L865 Q871 I872 K873 L918 L947 I950 | L865-L869 HydrophobicContact CD2-CD1 3.52Å; L865-L869 HydrophobicContact CD2-CG 3.91Å; L865-L869 WeakPolarHBondContact O-CG 3.4Å; L865-L869 PolarHBondContact O-N 3.38Å; L869-Q871 PolarHBondContact O-N 3.4Å; L869-I872 PolarHBondContact O-N 3.23Å; L869-K873 WeakPolarHBondContact O-CB 3.42Å; L869-K873 PolarHBondContact O-N 2.97Å; L869-L918 HydrophobicContact CD2-CD1 4.31Å; L869-L947 HydrophobicContact CD1-CD1 3.83Å; L869-L947 HydrophobicContact CD2-CD1 3.64Å; L869-L947 HydrophobicContact CG-CD1 4.41Å; L869-I950 HydrophobicContact CB-CD1 4.22Å; L869-I950 HydrophobicContact CD2-CD1 3.78Å |
| 870 | K | 67 | Low | 60.9 | Low | 109 Ų | 109 | 67.9 Ų | 67.9 | 47% | 0.474 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 177.7 | -166.4 | 175.8 | -176.8 | 179 | 0 | 112.2 | L866 K867 Q868 K873 N874 Y946 | L866-K870 VanDerWaalsContact O-CB 3.32Å; L866-K870 WeakPolarHBondContact O-CB 2.91Å; L866-K870 PolarHBondContact O-N 2.97Å; K867-K870 PolarHBondContact O-N 3.42Å; Q868-K870 VanDerWaalsContact C-N 3.34Å; Q868-K870 PolarHBondContact O-N 3.37Å; K870-K873 PolarHBondContact O-N 2.86Å; K870-N874 VanDerWaalsContact O-CG 3.3Å; K870-N874 PolarHBondContact O-N 2.97Å; K870-N874 PolarHBondContact O-OD1 2.94Å; K870-Y946 HydrophobicContact CB-CE1 4.49Å; K870-Y946 HydrophobicContact CG-CE1 4.35Å |
| 871 | Q | 66.2 | Low | 62.1 | Low | 47 Ų | 47 | 65.2 Ų | 65.2 | 22% | 0.22 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65 | -43.2 | 175.4 | -172.7 | 171.1 | 10 | 0 | 0 | 111.5 | K867 Q868 L869 N874 N875 | K867-Q871 WeakPolarHBondContact O-CB 3.49Å; K867-Q871 PolarHBondContact O-N 3.2Å; Q868-Q871 PolarHBondContact O-N 3.44Å; L869-Q871 PolarHBondContact O-N 3.4Å; Q871-N874 PolarHBondContact O-N 3.47Å; Q871-N875 VanDerWaalsContact O-CG 3.26Å; Q871-N875 PolarHBondContact O-N 2.83Å; Q871-N875 PolarHBondContact O-OD1 3.43Å |
| 872 | I | 67.8 | Low | 63 | Low | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 176.1 | -67.4 | 162.2 | 0 | 0 | 0 | 111 | Q868 L869 N874 N875 L876 T914 I915 L918 I950 | Q868-I872 WeakPolarHBondContact O-CD1 3.3Å; Q868-I872 VanDerWaalsContact O-CG1 3.22Å; Q868-I872 WeakPolarHBondContact O-CG1 3.44Å; Q868-I872 PolarHBondContact O-N 3.13Å; L869-I872 PolarHBondContact O-N 3.23Å; I872-N874 VanDerWaalsContact C-N 3.32Å; I872-N874 PolarHBondContact O-N 3.46Å; I872-N875 PolarHBondContact O-N 3.47Å; I872-L876 HydrophobicContact CG2-CD1 4.09Å; I872-L876 WeakPolarHBondContact O-CG 3.41Å; I872-L876 PolarHBondContact O-N 3.47Å; I872-T914 HydrophobicContact CD1-CG2 4.1Å; I872-I915 HydrophobicContact CD1-CG1 4.01Å; I872-I915 HydrophobicContact CG2-CD1 3.8Å; I872-I915 HydrophobicContact CG2-CG1 4.04Å; I872-L918 HydrophobicContact CD1-CD1 4.24Å; I872-I950 HydrophobicContact CB-CD1 4.25Å; I872-I950 HydrophobicContact CG2-CD1 4Å; I872-I950 HydrophobicContact CG2-CG1 4.3Å; I872-I950 HydrophobicContact CG2-CG2 4.21Å |
| 873 | K | 69 | Low | 64 | Low | 47 Ų | 47 | 53.6 Ų | 53.6 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.9 | -43 | 174.9 | -176.7 | 175.9 | 176 | 176.9 | 0 | 111.8 | L869 K870 L876 N877 Y946 D949 I950 L953 | L869-K873 WeakPolarHBondContact O-CB 3.42Å; L869-K873 PolarHBondContact O-N 2.97Å; K870-K873 PolarHBondContact O-N 2.86Å; K873-L876 PolarHBondContact O-N 3.44Å; K873-N877 WeakPolarHBondContact O-CB 3.48Å; K873-N877 PolarHBondContact O-N 3.26Å; K873-Y946 HydrophobicContact CD-CD1 3.77Å; K873-Y946 HydrophobicContact CD-CE1 3.95Å; K873-D949 HydrophobicContact CD-CB 4.16Å; K873-D949 IonicContact NZ-OD2 3.11Å; K873-D949 PolarHBondContact NZ-OD2 3.27Å; K873-I950 HydrophobicContact CB-CD1 4.47Å; K873-I950 HydrophobicContact CB-CG1 3.99Å; K873-L953 HydrophobicContact CG-CD1 3.89Å |
| 874 | N | 67.8 | Low | 64.8 | Low | 45 Ų | 45 | 49.2 Ų | 49.2 | 24% | 0.241 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | 177 | -74.7 | -4 | 0 | 0 | 0 | 112.1 | N789 K870 Q871 I872 L876 N877 L878 | N789-N874 VanDerWaalsContact CG-ND2 3.33Å; N789-N874 PolarHBondContact ND2-ND2 3.2Å; N789-N874 PolarHBondContact OD1-ND2 3.15Å; K870-N874 VanDerWaalsContact O-CG 3.3Å; K870-N874 PolarHBondContact O-N 2.97Å; K870-N874 PolarHBondContact O-OD1 2.94Å; Q871-N874 PolarHBondContact O-N 3.47Å; I872-N874 VanDerWaalsContact C-N 3.32Å; I872-N874 PolarHBondContact O-N 3.46Å; N874-L876 VanDerWaalsContact C-N 3.34Å; N874-L876 PolarHBondContact O-N 3.04Å; N874-N877 PolarHBondContact O-N 3.45Å; N874-L878 WeakPolarHBondContact O-CB 3.31Å; N874-L878 PolarHBondContact O-N 3.24Å |
| 875 | N | 66.1 | Low | 64.6 | Low | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.2 | -42.8 | 177.8 | -70 | -3 | 0 | 0 | 0 | 111.5 | C854 Q871 I872 L878 I879 I907 | C854-N875 PolarHBondContact O-ND2 3.24Å; Q871-N875 VanDerWaalsContact O-CG 3.26Å; Q871-N875 PolarHBondContact O-N 2.83Å; Q871-N875 PolarHBondContact O-OD1 3.43Å; I872-N875 PolarHBondContact O-N 3.47Å; N875-L878 PolarHBondContact O-N 3.46Å; N875-I879 WeakPolarHBondContact O-CG1 3.45Å; N875-I879 PolarHBondContact O-N 3Å; N875-I907 HydrophobicContact CB-CG2 3.96Å |
| 876 | L | 68.7 | Low | 64.4 | Low | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.9 | -42.9 | 177 | -69 | 174.2 | 0 | 0 | 0 | 112.4 | I872 K873 N874 L878 I879 Y880 F908 I950 L953 I957 | I872-L876 HydrophobicContact CG2-CD1 4.09Å; I872-L876 WeakPolarHBondContact O-CG 3.41Å; I872-L876 PolarHBondContact O-N 3.47Å; K873-L876 PolarHBondContact O-N 3.44Å; N874-L876 VanDerWaalsContact C-N 3.34Å; N874-L876 PolarHBondContact O-N 3.04Å; L876-L878 PolarHBondContact O-N 3.26Å; L876-I879 HydrophobicContact CD2-CD1 4.2Å; L876-I879 PolarHBondContact O-N 2.92Å; L876-Y880 WeakPolarHBondContact O-CB 3.21Å; L876-Y880 PolarHBondContact O-N 3.47Å; L876-F908 HydrophobicContact CD2-CD2 3.91Å; L876-F908 HydrophobicContact CD2-CE2 4.06Å; L876-I950 HydrophobicContact CD1-CB 4.47Å; L876-I950 HydrophobicContact CD1-CG2 3.81Å; L876-L953 HydrophobicContact CB-CB 4.25Å; L876-L953 HydrophobicContact CB-CD1 4.44Å; L876-I957 HydrophobicContact CB-CD1 4Å; L876-I957 HydrophobicContact CD2-CD1 3.84Å; L876-I957 HydrophobicContact CG-CD1 4.5Å; L876-I957 WeakPolarHBondContact O-CD1 3.4Å |
| 877 | N | 69.1 | Low | 64.1 | Low | 58 Ų | 58 | 49.5 Ų | 49.5 | 31% | 0.31 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.8 | -37.2 | 173 | -91.7 | -26 | 0 | 0 | 0 | 112.3 | K873 N874 Y880 K881 L953 | K873-N877 WeakPolarHBondContact O-CB 3.48Å; K873-N877 PolarHBondContact O-N 3.26Å; N874-N877 PolarHBondContact O-N 3.45Å; N877-Y880 WeakPolarHBondContact O-CB 3.14Å; N877-Y880 PolarHBondContact O-N 3.06Å; N877-K881 PolarHBondContact O-N 2.85Å; N877-L953 WeakPolarHBondContact OD1-CD1 3.34Å; N877-L953 WeakPolarHBondContact OD1-CD2 3.26Å |
| 878 | L | 65.1 | Low | 63.6 | Low | 28 Ų | 28 | 48.7 Ų | 48.7 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.6 | -39.5 | -178.8 | -176.2 | 142.5 | 0 | 0 | 0 | 111.9 | I792 I796 N874 N875 L876 Y880 K881 L882 | I792-L878 HydrophobicContact CB-CD1 4.48Å; I792-L878 HydrophobicContact CG2-CD1 3.59Å; I796-L878 HydrophobicContact CD1-CD1 3.44Å; I796-L878 VanDerWaalsContact CD1-CD1 3.44Å; I796-L878 HydrophobicContact CD1-CD2 3.13Å; I796-L878 HydrophobicContact CD1-CG 3.46Å; I796-L878 VanDerWaalsContact CD1-CG 3.46Å; I796-L878 HydrophobicContact CG1-CD2 4.42Å; N874-L878 WeakPolarHBondContact O-CB 3.31Å; N874-L878 PolarHBondContact O-N 3.24Å; N875-L878 PolarHBondContact O-N 3.46Å; L876-L878 PolarHBondContact O-N 3.26Å; L878-Y880 VanDerWaalsContact C-N 3.31Å; L878-Y880 PolarHBondContact O-N 3.12Å; L878-K881 PolarHBondContact O-N 3.31Å; L878-L882 WeakPolarHBondContact O-CB 3.36Å; L878-L882 PolarHBondContact O-N 3.4Å |
| 879 | I | 66.3 | Low | 62.8 | Low | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.9 | -43.9 | 167.1 | -69.5 | 161.3 | 0 | 0 | 0 | 110.9 | N875 L876 L882 K883 F904 I907 F908 I957 | N875-I879 WeakPolarHBondContact O-CG1 3.45Å; N875-I879 PolarHBondContact O-N 3Å; L876-I879 HydrophobicContact CD2-CD1 4.2Å; L876-I879 PolarHBondContact O-N 2.92Å; I879-L882 PolarHBondContact O-N 3.47Å; I879-K883 WeakPolarHBondContact O-CB 3.02Å; I879-K883 PolarHBondContact O-N 2.9Å; I879-F904 HydrophobicContact CG2-CD2 3.34Å; I879-F904 HydrophobicContact CG2-CE2 3.39Å; I879-F904 HydrophobicContact CG2-CG 4.47Å; I879-I907 HydrophobicContact CD1-CB 3.71Å; I879-I907 HydrophobicContact CD1-CG2 3.34Å; I879-I907 HydrophobicContact CG1-CB 4.08Å; I879-I907 HydrophobicContact CG1-CD1 4.41Å; I879-I907 HydrophobicContact CG1-CG2 3.8Å; I879-F908 HydrophobicContact CD1-CB 4.32Å; I879-I957 HydrophobicContact CB-CD1 4.31Å; I879-I957 HydrophobicContact CG2-CD1 4.16Å; I879-I957 HydrophobicContact CG2-CG1 4.46Å; I879-I957 HydrophobicContact CG2-CG2 4.25Å |
| 880 | Y | 65.5 | Low | 61.7 | Low | 58 Ų | 58 | 54.1 Ų | 54.1 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 179.6 | -178.8 | -99.1 | 0 | 0 | 0 | 111.8 | L876 N877 L878 K883 Q884 Q956 I957 L960 | L876-Y880 WeakPolarHBondContact O-CB 3.21Å; L876-Y880 PolarHBondContact O-N 3.47Å; N877-Y880 WeakPolarHBondContact O-CB 3.14Å; N877-Y880 PolarHBondContact O-N 3.06Å; L878-Y880 VanDerWaalsContact C-N 3.31Å; L878-Y880 PolarHBondContact O-N 3.12Å; Y880-K883 PolarHBondContact O-N 3.29Å; Y880-Q884 HydrophobicContact CE1-CG 4.32Å; Y880-Q884 VanDerWaalsContact CZ-NE2 3.26Å; Y880-Q884 PolarHBondContact O-N 2.98Å; Y880-Q884 PolarHBondContact OH-NE2 3.01Å; Y880-Q956 HydrophobicContact CD2-CB 4.32Å; Y880-Q956 HydrophobicContact CE2-CB 4.02Å; Y880-I957 HydrophobicContact CD2-CG1 4.23Å; Y880-L960 HydrophobicContact CD2-CD1 4.02Å; Y880-L960 HydrophobicContact CE2-CD1 3.58Å |
| 881 | K | 65.2 | Low | 60.6 | Low | 106 Ų | 106 | 54.8 Ų | 54.8 | 46% | 0.461 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 173.1 | -76.1 | -176.5 | 176.3 | -178.8 | 0 | 112.5 | E793 N877 L878 K883 Q884 N885 | E793-K881 IonicContact OE1-NZ 3.49Å; E793-K881 PolarHBondContact OE1-NZ 3.42Å; N877-K881 PolarHBondContact O-N 2.85Å; L878-K881 PolarHBondContact O-N 3.31Å; K881-K883 PolarHBondContact O-N 2.91Å; K881-Q884 PolarHBondContact O-N 2.87Å; K881-N885 PolarHBondContact O-N 3.27Å |
| 882 | L | 62.1 | Low | 59.6 | Low | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.5 | -41.7 | 178.7 | -169.9 | 112.8 | 0 | 0 | 0 | 110.8 | I796 L878 I879 N885 I886 C900 L903 | I796-L882 HydrophobicContact CG2-CD1 3.71Å; L878-L882 WeakPolarHBondContact O-CB 3.36Å; L878-L882 PolarHBondContact O-N 3.4Å; I879-L882 PolarHBondContact O-N 3.47Å; L882-N885 PolarHBondContact O-N 3Å; L882-I886 HydrophobicContact CD2-CD1 3.72Å; L882-I886 HydrophobicContact CG-CD1 4.14Å; L882-I886 WeakPolarHBondContact O-CD1 3.02Å; L882-I886 VanDerWaalsContact O-CG1 3.23Å; L882-I886 WeakPolarHBondContact O-CG1 3.49Å; L882-I886 PolarHBondContact O-N 3.2Å; L882-C900 HydrophobicContact CD2-CB 4.38Å; L882-L903 HydrophobicContact CD1-CD2 4.15Å; L882-L903 HydrophobicContact CD2-CD2 4.14Å |
| 883 | K | 61.8 | Low | 58.6 | Low | 23 Ų | 23 | 60.4 Ų | 60.4 | 10% | 0.1 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 177.5 | -171.9 | 173.3 | -170.8 | 168.1 | 0 | 113.3 | I879 Y880 K881 N885 I886 Q887 I957 L960 | I879-K883 WeakPolarHBondContact O-CB 3.02Å; I879-K883 PolarHBondContact O-N 2.9Å; Y880-K883 PolarHBondContact O-N 3.29Å; K881-K883 PolarHBondContact O-N 2.91Å; K883-N885 VanDerWaalsContact C-N 3.31Å; K883-N885 PolarHBondContact O-N 2.72Å; K883-I886 PolarHBondContact O-N 2.8Å; K883-Q887 PolarHBondContact O-N 2.93Å; K883-I957 PolarHBondContact NZ-O 3.38Å; K883-L960 HydrophobicContact CD-CB 4Å; K883-L960 HydrophobicContact CD-CD1 4.07Å; K883-L960 VanDerWaalsContact CE-O 3.27Å; K883-L960 WeakPolarHBondContact CE-O 3.08Å; K883-L960 PolarHBondContact NZ-O 2.93Å |
| 884 | Q | 62.1 | Low | 57.5 | Low | 73 Ų | 73 | 60.1 Ų | 60.1 | 34% | 0.341 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 173.8 | -75.9 | -169.6 | -11.1 | 0 | 0 | 111.4 | Y880 K881 I886 Q887 N888 | Y880-Q884 HydrophobicContact CE1-CG 4.32Å; Y880-Q884 VanDerWaalsContact CZ-NE2 3.26Å; Y880-Q884 PolarHBondContact O-N 2.98Å; Y880-Q884 PolarHBondContact OH-NE2 3.01Å; K881-Q884 PolarHBondContact O-N 2.87Å; Q884-I886 VanDerWaalsContact C-N 3.35Å; Q884-I886 PolarHBondContact O-N 3.48Å; Q884-Q887 PolarHBondContact O-N 3.24Å; Q884-N888 WeakPolarHBondContact O-CB 2.77Å; Q884-N888 PolarHBondContact O-N 3.45Å; Q884-N888 PolarHBondContact O-ND2 3.5Å |
| 885 | N | 55.2 | Low | 56.3 | Low | 72 Ų | 72 | 63.3 Ų | 63.3 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 176.7 | -70.5 | -7.8 | 0 | 0 | 0 | 111.6 | K881 L882 K883 Q887 N888 S889 | K881-N885 PolarHBondContact O-N 3.27Å; L882-N885 PolarHBondContact O-N 3Å; K883-N885 VanDerWaalsContact C-N 3.31Å; K883-N885 PolarHBondContact O-N 2.72Å; N885-Q887 PolarHBondContact O-N 2.91Å; N885-N888 PolarHBondContact O-N 3.2Å; N885-S889 PolarHBondContact O-N 3.49Å; N885-S889 PolarHBondContact O-OG 3.49Å |
| 886 | I | 54.7 | Low | 55.4 | Low | 32 Ų | 32 | 63.8 Ų | 63.8 | 16% | 0.164 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 176.4 | -66.9 | 159.2 | 0 | 0 | 0 | 111.9 | L882 K883 Q884 S889 I892 Y896 C900 | L882-I886 HydrophobicContact CD2-CD1 3.72Å; L882-I886 HydrophobicContact CG-CD1 4.14Å; L882-I886 WeakPolarHBondContact O-CD1 3.02Å; L882-I886 VanDerWaalsContact O-CG1 3.23Å; L882-I886 WeakPolarHBondContact O-CG1 3.49Å; L882-I886 PolarHBondContact O-N 3.2Å; K883-I886 PolarHBondContact O-N 2.8Å; Q884-I886 VanDerWaalsContact C-N 3.35Å; Q884-I886 PolarHBondContact O-N 3.48Å; I886-S889 PolarHBondContact O-OG 3.08Å; I886-I892 HydrophobicContact CB-CD1 4.16Å; I886-I892 HydrophobicContact CG1-CD1 4.36Å; I886-I892 HydrophobicContact CG2-CD1 3.84Å; I886-Y896 HydrophobicContact CG1-CE1 3.98Å; I886-C900 HydrophobicContact CD1-CB 3.47Å; I886-C900 VanDerWaalsContact CD1-CB 3.47Å; I886-C900 HydrophobicContact CG1-CB 4.47Å |
| 887 | Q | 53.8 | Low | 54.6 | Low | 102 Ų | 102 | 66.9 Ų | 66.9 | 48% | 0.477 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69 | -33.7 | 178.1 | -84.8 | 178.8 | -35.4 | 0 | 0 | 112.8 | K883 Q884 N885 | K883-Q887 PolarHBondContact O-N 2.93Å; Q884-Q887 PolarHBondContact O-N 3.24Å; N885-Q887 PolarHBondContact O-N 2.91Å |
| 888 | N | 52.6 | Low | 53.7 | Low | 120 Ų | 120 | 65 Ų | 65 | 64% | 0.642 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -79.3 | -21.9 | -177.6 | -68.6 | -19.8 | 0 | 0 | 0 | 113.4 | Q884 N885 I890 | Q884-N888 WeakPolarHBondContact O-CB 2.77Å; Q884-N888 PolarHBondContact O-N 3.45Å; Q884-N888 PolarHBondContact O-ND2 3.5Å; N885-N888 PolarHBondContact O-N 3.2Å; N888-I890 PolarHBondContact O-N 3.39Å |
| 889 | S | 46.7 | Very low | 53 | Low | 32 Ų | 32 | 64.6 Ų | 64.6 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | trans | -82.8 | 102.5 | 177.1 | 44.1 | 0 | 0 | 0 | 0 | 111.5 | N885 I886 N891 I892 | N885-S889 PolarHBondContact O-N 3.49Å; N885-S889 PolarHBondContact O-OG 3.49Å; I886-S889 PolarHBondContact O-OG 3.08Å; S889-N891 PolarHBondContact O-N 3.37Å; S889-N891 VanDerWaalsContact O-N 3.12Å; S889-I892 WeakPolarHBondContact OG-CD1 3.45Å; S889-I892 VanDerWaalsContact OG-CG1 3.23Å; S889-I892 WeakPolarHBondContact OG-CG1 3.49Å | ||
| 890 | I | 42.2 | Very low | 52.4 | Low | 162 Ų | 162 | 64.7 Ų | 64.7 | 83% | 0.831 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.6 | -172.7 | -68.6 | 164.4 | 0 | 0 | 0 | 113.7 | N888 | N888-I890 PolarHBondContact O-N 3.39Š|
| 891 | N | 45.1 | Very low | 52 | Low | 124 Ų | 124 | 63.8 Ų | 63.8 | 66% | 0.663 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.8 | 44.1 | -172.9 | -86.9 | -18.6 | 0 | 0 | 0 | 114.7 | S889 Y893 | S889-N891 PolarHBondContact O-N 3.37Å; S889-N891 VanDerWaalsContact O-N 3.12Å; N891-Y893 PolarHBondContact O-N 3.38Å |
| 892 | I | 44.5 | Very low | 51.4 | Low | 24 Ų | 24 | 63.2 Ų | 63.2 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | trans | -83.8 | 114.6 | 175.5 | -69.7 | -178.5 | 0 | 0 | 0 | 111.7 | L804 I886 S889 Y896 K897 | L804-I892 HydrophobicContact CD2-CD1 4.05Å; L804-I892 HydrophobicContact CD2-CG1 3.91Å; I886-I892 HydrophobicContact CB-CD1 4.16Å; I886-I892 HydrophobicContact CG1-CD1 4.36Å; I886-I892 HydrophobicContact CG2-CD1 3.84Å; S889-I892 WeakPolarHBondContact OG-CD1 3.45Å; S889-I892 VanDerWaalsContact OG-CG1 3.23Å; S889-I892 WeakPolarHBondContact OG-CG1 3.49Å; I892-Y896 HydrophobicContact CB-CD1 4.37Å; I892-Y896 HydrophobicContact CD1-CD1 3.6Å; I892-Y896 HydrophobicContact CD1-CE1 3.43Å; I892-Y896 VanDerWaalsContact CD1-CE1 3.43Å; I892-Y896 HydrophobicContact CG1-CD1 4.05Å; I892-Y896 HydrophobicContact CG1-CE1 4.22Å; I892-Y896 HydrophobicContact CG2-CD1 3.36Å; I892-Y896 HydrophobicContact CG2-CE1 4.27Å; I892-Y896 HydrophobicContact CG2-CG 4Å; I892-K897 HydrophobicContact CG2-CD 4.4Å; I892-K897 HydrophobicContact CG2-CG 3.65Å | ||
| 893 | Y | 47.9 | Very low | 51.2 | Low | 147 Ų | 147 | 63.2 Ų | 63.2 | 58% | 0.576 | 30% | 0.299 | S | S | * | . | trans | -56.4 | 142.3 | 166 | -87.9 | -92.3 | 0 | 0 | 0 | 112.2 | F807 N891 W895 Y896 | F807-Y893 AromaticContact CD1-CD2 3.71Å; F807-Y893 HydrophobicContact CD1-CD2 3.71Å; F807-Y893 AromaticContact CD1-CE2 3.47Å; F807-Y893 HydrophobicContact CD1-CE2 3.47Å; F807-Y893 VanDerWaalsContact CD1-CE2 3.47Å; F807-Y893 AromaticContact CE1-CD2 3.62Å; F807-Y893 HydrophobicContact CE1-CD2 3.62Å; F807-Y893 AromaticContact CE1-CE2 3.45Å; F807-Y893 HydrophobicContact CE1-CE2 3.45Å; F807-Y893 VanDerWaalsContact CE1-CE2 3.45Å; F807-Y893 HydrophobicContact CE1-CG 4.44Å; F807-Y893 HydrophobicContact CG-CD2 4.37Å; F807-Y893 HydrophobicContact CG-CE2 4.46Å; F807-Y893 HydrophobicContact CZ-CD2 4.21Å; F807-Y893 HydrophobicContact CZ-CE2 4.44Å; N891-Y893 PolarHBondContact O-N 3.38Å; Y893-W895 PolarHBondContact O-N 3.41Å; Y893-Y896 PolarHBondContact O-N 3.29Å | ||
| 894 | N | 44.2 | Very low | 51.3 | Low | 42 Ų | 42 | 62.9 Ų | 62.9 | 23% | 0.225 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -48.5 | -32.4 | -179.1 | -73.2 | -39 | 0 | 0 | 0 | 113.8 | K897 Y898 N965 I967 Q968 | N894-K897 WeakPolarHBondContact O-CB 3.36Å; N894-K897 PolarHBondContact O-N 3.33Å; N894-Y898 HydrophobicContact CB-CE2 3.92Å; N894-Y898 WeakPolarHBondContact O-CD2 3.24Å; N894-Y898 WeakPolarHBondContact O-CE2 3.35Å; N894-Y898 PolarHBondContact O-N 2.82Å; N894-Y898 VanDerWaalsContact O-N 3.1Å; N894-N965 PolarHBondContact OD1-ND2 3.28Å; N894-I967 HydrophobicContact CB-CG2 4.2Å; N894-I967 WeakPolarHBondContact ND2-CD1 3.13Å; N894-Q968 PolarHBondContact OD1-NE2 3.15Å |
| 895 | W | 44.4 | Very low | 51.2 | Low | 112 Ų | 112 | 60.1 Ų | 60.1 | 42% | 0.424 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 179.2 | -178.3 | 81.8 | 0 | 0 | 0 | 114.8 | F803 Y893 Y898 R899 | F803-W895 HydrophobicContact CD1-CZ3 4.06Å; F803-W895 HydrophobicContact CE1-CH2 4.15Å; F803-W895 HydrophobicContact CE1-CZ3 4.06Å; Y893-W895 PolarHBondContact O-N 3.41Å; W895-Y898 WeakPolarHBondContact O-CB 3.33Å; W895-Y898 PolarHBondContact O-N 3.35Å; W895-R899 VanDerWaalsContact CE2-CZ 3.41Å; W895-R899 PolarHBondContact O-N 3.23Å |
| 896 | Y | 47 | Very low | 51.3 | Low | 13 Ų | 13 | 58.1 Ų | 58.1 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.5 | -35 | 175.9 | 175.8 | -87.7 | 0 | 0 | 0 | 111.4 | F799 N800 F803 L804 I886 I892 Y893 Y898 R899 C900 | F799-Y896 HydrophobicContact CD1-CE2 4.29Å; F799-Y896 HydrophobicContact CE1-CD2 4.32Å; F799-Y896 AromaticContact CE1-CE2 3.53Å; F799-Y896 HydrophobicContact CE1-CE2 3.53Å; F799-Y896 HydrophobicContact CZ-CD2 4.33Å; F799-Y896 AromaticContact CZ-CE2 3.97Å; F799-Y896 HydrophobicContact CZ-CE2 3.97Å; N800-Y896 PolarHBondContact OD1-OH 3.43Å; N800-Y896 VanDerWaalsContact OD1-OH 3.06Å; F803-Y896 HydrophobicContact CB-CD2 3.72Å; F803-Y896 HydrophobicContact CB-CE2 3.59Å; F803-Y896 HydrophobicContact CD1-CD2 4.44Å; F803-Y896 HydrophobicContact CG-CD2 4.3Å; F803-Y896 HydrophobicContact CG-CE2 4.31Å; L804-Y896 HydrophobicContact CD2-CE1 4.27Å; I886-Y896 HydrophobicContact CG1-CE1 3.98Å; I892-Y896 HydrophobicContact CB-CD1 4.37Å; I892-Y896 HydrophobicContact CD1-CD1 3.6Å; I892-Y896 HydrophobicContact CD1-CE1 3.43Å; I892-Y896 VanDerWaalsContact CD1-CE1 3.43Å; I892-Y896 HydrophobicContact CG1-CD1 4.05Å; I892-Y896 HydrophobicContact CG1-CE1 4.22Å; I892-Y896 HydrophobicContact CG2-CD1 3.36Å; I892-Y896 HydrophobicContact CG2-CE1 4.27Å; I892-Y896 HydrophobicContact CG2-CG 4Å; Y893-Y896 PolarHBondContact O-N 3.29Å; Y896-Y898 VanDerWaalsContact C-N 3.31Å; Y896-Y898 PolarHBondContact O-N 2.97Å; Y896-R899 PolarHBondContact O-N 3.17Å; Y896-C900 WeakPolarHBondContact CE1-SG 3.02Å; Y896-C900 WeakPolarHBondContact O-CB 3.18Å; Y896-C900 PolarHBondContact O-N 3.1Å; Y896-C900 PolarHBondContact O-SG 3.18Å |
| 897 | K | 51.5 | Low | 51.6 | Low | 66 Ų | 66 | 56.6 Ų | 56.6 | 29% | 0.287 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 171 | -73.3 | -178.9 | 176.3 | -177.9 | 0 | 111.2 | I892 N894 R899 C900 F901 | I892-K897 HydrophobicContact CG2-CD 4.4Å; I892-K897 HydrophobicContact CG2-CG 3.65Å; N894-K897 WeakPolarHBondContact O-CB 3.36Å; N894-K897 PolarHBondContact O-N 3.33Å; K897-R899 PolarHBondContact O-N 2.97Å; K897-C900 PolarHBondContact O-N 3.02Å; K897-F901 HydrophobicContact CB-CD2 4.48Å; K897-F901 HydrophobicContact CB-CE2 4.38Å; K897-F901 WeakPolarHBondContact O-CD2 3.43Å; K897-F901 PolarHBondContact O-N 3.07Å |
| 898 | Y | 49.9 | Very low | 52.2 | Low | 19 Ų | 19 | 51.8 Ų | 51.8 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.8 | -44.3 | 179.1 | -64.7 | -47.6 | 0 | 0 | 0 | 114.6 | N894 W895 Y896 F901 Y902 I967 Q968 S971 F975 | N894-Y898 HydrophobicContact CB-CE2 3.92Å; N894-Y898 WeakPolarHBondContact O-CD2 3.24Å; N894-Y898 WeakPolarHBondContact O-CE2 3.35Å; N894-Y898 PolarHBondContact O-N 2.82Å; N894-Y898 VanDerWaalsContact O-N 3.1Å; W895-Y898 WeakPolarHBondContact O-CB 3.33Å; W895-Y898 PolarHBondContact O-N 3.35Å; Y896-Y898 VanDerWaalsContact C-N 3.31Å; Y896-Y898 PolarHBondContact O-N 2.97Å; Y898-F901 WeakPolarHBondContact O-CB 3.29Å; Y898-F901 PolarHBondContact O-N 3.25Å; Y898-Y902 PolarHBondContact O-N 3Å; Y898-I967 WeakPolarHBondContact OH-CG2 3.33Å; Y898-I967 PolarHBondContact OH-O 3.36Å; Y898-Q968 HydrophobicContact CE1-CB 3.96Å; Y898-Q968 HydrophobicContact CE1-CG 3.89Å; Y898-Q968 WeakPolarHBondContact CE1-O 3.19Å; Y898-Q968 WeakPolarHBondContact OH-CA 3.39Å; Y898-Q968 PolarHBondContact OH-N 3.27Å; Y898-Q968 VanDerWaalsContact OH-N 3.16Å; Y898-S971 WeakPolarHBondContact CE1-OG 3.14Å; Y898-S971 VanDerWaalsContact CE2-OG 3.28Å; Y898-S971 WeakPolarHBondContact CE2-OG 3.32Å; Y898-S971 VanDerWaalsContact CZ-CB 3.47Å; Y898-S971 PolarHBondContact OH-OG 3.09Å; Y898-F975 HydrophobicContact CG-CE2 4.41Å |
| 899 | R | 51 | Low | 52.6 | Low | 19 Ų | 19 | 46.8 Ų | 46.8 | 7% | 0.072 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -77.8 | -33.1 | -175.4 | -72.6 | 177.5 | 163.3 | -169.5 | -5.4 | 112.1 | N840 D843 F847 W895 Y896 K897 F901 Y902 L903 | N840-R899 PolarHBondContact OD1-NH2 3.17Å; D843-R899 IonicContact OD1-CZ 2.74Å; D843-R899 IonicContact OD1-NH1 3.41Å; D843-R899 PolarHBondContact OD1-NH1 3.44Å; D843-R899 IonicContact OD2-CZ 3.25Å; D843-R899 IonicContact OD2-NH1 3.79Å; D843-R899 PolarHBondContact OD2-NH1 3.44Å; D843-R899 IonicContact OD2-NH2 3.61Å; D843-R899 PolarHBondContact OD2-NH2 3.41Å; F847-R899 HydrophobicContact CE1-CB 4.41Å; F847-R899 WeakPolarHBondContact CE1-O 3.36Å; F847-R899 HydrophobicContact CE2-CB 3.92Å; F847-R899 HydrophobicContact CE2-CG 4.24Å; F847-R899 HydrophobicContact CZ-CB 3.55Å; F847-R899 HydrophobicContact CZ-CG 4.36Å; W895-R899 VanDerWaalsContact CE2-CZ 3.41Å; W895-R899 PolarHBondContact O-N 3.23Å; Y896-R899 PolarHBondContact O-N 3.17Å; K897-R899 PolarHBondContact O-N 2.97Å; R899-F901 VanDerWaalsContact C-N 3.29Å; R899-F901 PolarHBondContact O-N 3.42Å; R899-Y902 WeakPolarHBondContact O-CB 3.1Å; R899-Y902 PolarHBondContact O-N 3.34Å; R899-L903 PolarHBondContact O-N 2.92Å |
| 900 | C | 53.8 | Low | 53.3 | Low | 6 Ų | 6 | 46.5 Ų | 46.5 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.5 | -36.9 | 166.5 | -66.6 | 0 | 0 | 0 | 0 | 112.1 | L882 I886 Y896 K897 L903 F904 | L882-C900 HydrophobicContact CD2-CB 4.38Å; I886-C900 HydrophobicContact CD1-CB 3.47Å; I886-C900 VanDerWaalsContact CD1-CB 3.47Å; I886-C900 HydrophobicContact CG1-CB 4.47Å; Y896-C900 WeakPolarHBondContact CE1-SG 3.02Å; Y896-C900 WeakPolarHBondContact O-CB 3.18Å; Y896-C900 PolarHBondContact O-N 3.1Å; Y896-C900 PolarHBondContact O-SG 3.18Å; K897-C900 PolarHBondContact O-N 3.02Å; C900-L903 PolarHBondContact O-N 2.99Å; C900-F904 VanDerWaalsContact O-CB 3.26Å; C900-F904 WeakPolarHBondContact O-CB 3.39Å; C900-F904 PolarHBondContact O-N 3.45Å |
| 901 | F | 55.6 | Low | 54.4 | Low | 38 Ų | 38 | 38.8 Ų | 38.8 | 17% | 0.167 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.5 | -38.8 | 172.7 | -84.2 | -61.5 | 0 | 0 | 0 | 112.7 | K897 Y898 R899 F904 N905 I962 | K897-F901 HydrophobicContact CB-CD2 4.48Å; K897-F901 HydrophobicContact CB-CE2 4.38Å; K897-F901 WeakPolarHBondContact O-CD2 3.43Å; K897-F901 PolarHBondContact O-N 3.07Å; Y898-F901 WeakPolarHBondContact O-CB 3.29Å; Y898-F901 PolarHBondContact O-N 3.25Å; R899-F901 VanDerWaalsContact C-N 3.29Å; R899-F901 PolarHBondContact O-N 3.42Å; F901-F904 WeakPolarHBondContact O-CB 3.42Å; F901-F904 PolarHBondContact O-N 3.4Å; F901-N905 WeakPolarHBondContact O-CB 3.22Å; F901-N905 PolarHBondContact O-N 2.84Å; F901-N905 PolarHBondContact O-ND2 3.26Å; F901-I962 HydrophobicContact CE1-CB 4.34Å; F901-I962 HydrophobicContact CE1-CD1 3.87Å; F901-I962 HydrophobicContact CE1-CG1 3.88Å; F901-I962 HydrophobicContact CE1-CG2 3.52Å; F901-I962 HydrophobicContact CZ-CB 4.43Å; F901-I962 HydrophobicContact CZ-CG1 4.35Å; F901-I962 HydrophobicContact CZ-CG2 3.42Å; F901-I962 VanDerWaalsContact CZ-CG2 3.42Å |
| 902 | Y | 53.6 | Low | 55.5 | Low | 95 Ų | 95 | 33 Ų | 33 | 37% | 0.373 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61.3 | -48.1 | 174.5 | -179.7 | -106.3 | 0 | 0 | 0 | 111.8 | F847 Y898 R899 F904 N905 I906 F975 | F847-Y902 HydrophobicContact CB-CE1 4.27Å; F847-Y902 HydrophobicContact CD1-CD1 4.13Å; F847-Y902 HydrophobicContact CG-CD1 4.22Å; F847-Y902 HydrophobicContact CG-CE1 4.45Å; Y898-Y902 PolarHBondContact O-N 3Å; R899-Y902 WeakPolarHBondContact O-CB 3.1Å; R899-Y902 PolarHBondContact O-N 3.34Å; Y902-F904 PolarHBondContact O-N 3.44Å; Y902-N905 PolarHBondContact O-N 3.19Å; Y902-I906 HydrophobicContact CD1-CD1 3.78Å; Y902-I906 HydrophobicContact CD2-CD1 4.34Å; Y902-I906 HydrophobicContact CE1-CD1 3.23Å; Y902-I906 HydrophobicContact CE1-CG1 4.5Å; Y902-I906 HydrophobicContact CE2-CD1 3.87Å; Y902-I906 HydrophobicContact CG-CD1 4.31Å; Y902-I906 PolarHBondContact O-N 2.93Å; Y902-F975 HydrophobicContact CD2-CD1 4.05Å; Y902-F975 HydrophobicContact CG-CD1 4.39Å |
| 903 | L | 58.1 | Low | 56.3 | Low | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 176.3 | -163.6 | 107.3 | 0 | 0 | 0 | 111.9 | F847 I850 L882 R899 C900 N905 I906 I907 | F847-L903 HydrophobicContact CD1-CB 4.01Å; F847-L903 HydrophobicContact CD1-CD1 3.35Å; F847-L903 HydrophobicContact CD1-CG 4.29Å; F847-L903 HydrophobicContact CE1-CB 3.82Å; F847-L903 HydrophobicContact CE1-CD1 3.61Å; F847-L903 HydrophobicContact CE1-CG 4.33Å; I850-L903 HydrophobicContact CB-CD1 3.84Å; I850-L903 HydrophobicContact CD1-CD1 3.54Å; I850-L903 HydrophobicContact CG1-CD1 4.28Å; I850-L903 HydrophobicContact CG2-CD1 3.68Å; I850-L903 HydrophobicContact CG2-CD2 4.45Å; I850-L903 HydrophobicContact CG2-CG 4.29Å; L882-L903 HydrophobicContact CD1-CD2 4.15Å; L882-L903 HydrophobicContact CD2-CD2 4.14Å; R899-L903 PolarHBondContact O-N 2.92Å; C900-L903 PolarHBondContact O-N 2.99Å; L903-N905 PolarHBondContact O-N 2.99Å; L903-I906 PolarHBondContact O-N 2.82Å; L903-I907 HydrophobicContact CD2-CD1 3.68Å; L903-I907 HydrophobicContact CG-CD1 3.74Å; L903-I907 HydrophobicContact CG-CG1 4.47Å; L903-I907 VanDerWaalsContact O-CG1 3.27Å; L903-I907 WeakPolarHBondContact O-CG1 3.42Å; L903-I907 PolarHBondContact O-N 2.65Å |
| 904 | F | 63.3 | Low | 57.1 | Low | 15 Ų | 15 | 28 Ų | 28 | 7% | 0.066 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.1 | -50.1 | 174 | -179.6 | -86.3 | 0 | 0 | 0 | 111.2 | I879 C900 F901 Y902 I907 F908 I957 | I879-F904 HydrophobicContact CG2-CD2 3.34Å; I879-F904 HydrophobicContact CG2-CE2 3.39Å; I879-F904 HydrophobicContact CG2-CG 4.47Å; C900-F904 VanDerWaalsContact O-CB 3.26Å; C900-F904 WeakPolarHBondContact O-CB 3.39Å; C900-F904 PolarHBondContact O-N 3.45Å; F901-F904 WeakPolarHBondContact O-CB 3.42Å; F901-F904 PolarHBondContact O-N 3.4Å; Y902-F904 PolarHBondContact O-N 3.44Å; F904-I907 PolarHBondContact O-N 3.39Å; F904-F908 HydrophobicContact CE1-CB 4.33Å; F904-F908 HydrophobicContact CE1-CG 4.42Å; F904-F908 WeakPolarHBondContact O-CB 3.48Å; F904-F908 PolarHBondContact O-N 2.75Å; F904-I957 HydrophobicContact CE2-CG2 3.36Å; F904-I957 HydrophobicContact CZ-CG2 3.44Å; F904-I957 VanDerWaalsContact CZ-CG2 3.44Å |
| 905 | N | 59.1 | Low | 58.2 | Low | 15 Ų | 15 | 26.3 Ų | 26.3 | 8% | 0.08 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | -176.7 | -76.2 | -26.9 | 0 | 0 | 0 | 112.3 | F901 Y902 L903 S909 M976 | F901-N905 WeakPolarHBondContact O-CB 3.22Å; F901-N905 PolarHBondContact O-N 2.84Å; F901-N905 PolarHBondContact O-ND2 3.26Å; Y902-N905 PolarHBondContact O-N 3.19Å; L903-N905 PolarHBondContact O-N 2.99Å; N905-S909 WeakPolarHBondContact O-CB 3.3Å; N905-S909 PolarHBondContact O-N 3.08Å; N905-S909 PolarHBondContact O-OG 3.32Å; N905-M976 WeakPolarHBondContact ND2-CG 3.39Å; N905-M976 PolarHBondContact ND2-SD 3.48Å; N905-M976 VanDerWaalsContact OD1-CE 3.29Å; N905-M976 WeakPolarHBondContact OD1-CE 3.49Å; N905-M976 PolarHBondContact OD1-SD 2.85Å |
| 906 | I | 58.6 | Low | 59.3 | Low | 30 Ų | 30 | 23.9 Ų | 23.9 | 15% | 0.154 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.9 | -61.2 | 175.1 | -78.8 | 169.6 | 0 | 0 | 0 | 109.1 | H851 Y902 L903 F908 S909 S910 | H851-I906 HydrophobicContact CB-CG2 4.21Å; H851-I906 WeakPolarHBondContact CD2-CG2 3.38Å; Y902-I906 HydrophobicContact CD1-CD1 3.78Å; Y902-I906 HydrophobicContact CD2-CD1 4.34Å; Y902-I906 HydrophobicContact CE1-CD1 3.23Å; Y902-I906 HydrophobicContact CE1-CG1 4.5Å; Y902-I906 HydrophobicContact CE2-CD1 3.87Å; Y902-I906 HydrophobicContact CG-CD1 4.31Å; Y902-I906 PolarHBondContact O-N 2.93Å; L903-I906 PolarHBondContact O-N 2.82Å; I906-F908 VanDerWaalsContact C-N 3.29Å; I906-F908 PolarHBondContact O-N 2.82Å; I906-S909 PolarHBondContact O-N 3.16Å; I906-S910 PolarHBondContact O-N 3.01Å; I906-S910 VanDerWaalsContact O-N 3.08Å; I906-S910 PolarHBondContact O-OG 3.22Å |
| 907 | I | 61.7 | Low | 60.2 | Low | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.5 | -40.6 | -169.6 | -58.5 | 169.1 | 0 | 0 | 0 | 110.5 | I850 F855 N875 I879 L903 F904 S910 S911 | I850-I907 HydrophobicContact CG2-CD1 3.86Å; F855-I907 VanDerWaalsContact CE2-CA 3.47Å; F855-I907 HydrophobicContact CE2-CB 4Å; F855-I907 HydrophobicContact CE2-CG1 4.09Å; F855-I907 HydrophobicContact CE2-CG2 3.93Å; F855-I907 HydrophobicContact CZ-CB 4.23Å; F855-I907 HydrophobicContact CZ-CG2 3.78Å; F855-I907 WeakPolarHBondContact CZ-O 3.39Å; N875-I907 HydrophobicContact CB-CG2 3.96Å; I879-I907 HydrophobicContact CD1-CB 3.71Å; I879-I907 HydrophobicContact CD1-CG2 3.34Å; I879-I907 HydrophobicContact CG1-CB 4.08Å; I879-I907 HydrophobicContact CG1-CD1 4.41Å; I879-I907 HydrophobicContact CG1-CG2 3.8Å; L903-I907 HydrophobicContact CD2-CD1 3.68Å; L903-I907 HydrophobicContact CG-CD1 3.74Å; L903-I907 HydrophobicContact CG-CG1 4.47Å; L903-I907 VanDerWaalsContact O-CG1 3.27Å; L903-I907 WeakPolarHBondContact O-CG1 3.42Å; L903-I907 PolarHBondContact O-N 2.65Å; F904-I907 PolarHBondContact O-N 3.39Å; I907-S910 PolarHBondContact O-OG 2.71Å; I907-S911 VanDerWaalsContact O-CB 3.24Å; I907-S911 WeakPolarHBondContact O-CB 3.22Å; I907-S911 PolarHBondContact O-N 3.41Å; I907-S911 PolarHBondContact O-OG 2.68Å; I907-S911 VanDerWaalsContact O-OG 3.12Å |
| 908 | F | 65.3 | Low | 60.7 | Low | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.2 | -44.2 | 179.3 | -171.1 | -90.6 | 0 | 0 | 0 | 112.5 | L876 I879 F904 I906 M912 K954 F958 F981 T985 I987 | L876-F908 HydrophobicContact CD2-CD2 3.91Å; L876-F908 HydrophobicContact CD2-CE2 4.06Å; I879-F908 HydrophobicContact CD1-CB 4.32Å; F904-F908 HydrophobicContact CE1-CB 4.33Å; F904-F908 HydrophobicContact CE1-CG 4.42Å; F904-F908 WeakPolarHBondContact O-CB 3.48Å; F904-F908 PolarHBondContact O-N 2.75Å; I906-F908 VanDerWaalsContact C-N 3.29Å; I906-F908 PolarHBondContact O-N 2.82Å; F908-M912 HydrophobicContact CD1-CG 4.39Å; F908-M912 HydrophobicContact CE1-CG 3.69Å; F908-M912 HydrophobicContact CE2-CE 4.03Å; F908-M912 HydrophobicContact CE2-CG 4.35Å; F908-M912 HydrophobicContact CZ-CE 3.78Å; F908-M912 HydrophobicContact CZ-CG 3.62Å; F908-M912 HydrophobicContact CZ-SD 4.44Å; F908-M912 PolarHBondContact O-N 3.47Å; F908-K954 HydrophobicContact CE2-CG 4.44Å; F908-K954 HydrophobicContact CZ-CG 4.27Å; F908-F958 HydrophobicContact CD1-CZ 4.4Å; F908-F958 AromaticContact CE1-CE2 3.76Å; F908-F958 HydrophobicContact CE1-CE2 3.76Å; F908-F958 AromaticContact CE1-CZ 3.73Å; F908-F958 HydrophobicContact CE1-CZ 3.73Å; F908-F958 AromaticContact CE2-CE2 3.78Å; F908-F958 HydrophobicContact CE2-CE2 3.78Å; F908-F958 HydrophobicContact CE2-CZ 4.38Å; F908-F958 HydrophobicContact CZ-CD2 4.39Å; F908-F958 AromaticContact CZ-CE2 3.28Å; F908-F958 HydrophobicContact CZ-CE2 3.28Å; F908-F958 AromaticContact CZ-CZ 3.77Å; F908-F958 HydrophobicContact CZ-CZ 3.77Å; F908-F981 AromaticContact CD1-CE2 3.75Å; F908-F981 HydrophobicContact CD1-CE2 3.75Å; F908-F981 AromaticContact CD1-CZ 3.86Å; F908-F981 HydrophobicContact CD1-CZ 3.86Å; F908-F981 HydrophobicContact CE1-CE2 4.41Å; F908-F981 HydrophobicContact CE1-CZ 4.12Å; F908-T985 HydrophobicContact CD1-CG2 3.88Å; F908-T985 HydrophobicContact CE1-CG2 3.68Å; F908-I987 HydrophobicContact CE1-CD1 3.56Å; F908-I987 HydrophobicContact CZ-CD1 3.57Å |
| 909 | S | 61.5 | Low | 61.3 | Low | 16 Ų | 16 | 28.4 Ų | 28.4 | 11% | 0.112 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.4 | -43.6 | -177.3 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | N905 I906 A913 F981 | N905-S909 WeakPolarHBondContact O-CB 3.3Å; N905-S909 PolarHBondContact O-N 3.08Å; N905-S909 PolarHBondContact O-OG 3.32Å; I906-S909 PolarHBondContact O-N 3.16Å; S909-A913 WeakPolarHBondContact O-CB 3.28Å; S909-A913 PolarHBondContact O-N 2.83Å; S909-F981 VanDerWaalsContact OG-CD2 3.28Å; S909-F981 WeakPolarHBondContact OG-CD2 3.42Å |
| 910 | S | 61.3 | Low | 61.6 | Low | 25 Ų | 25 | 32.5 Ų | 32.5 | 18% | 0.175 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -73.5 | -39.1 | 179.7 | 47.6 | 0 | 0 | 0 | 0 | 111.5 | F855 I906 I907 M912 A913 T914 | F855-S910 WeakPolarHBondContact CD1-OG 3.39Å; F855-S910 WeakPolarHBondContact CD2-OG 3.38Å; F855-S910 WeakPolarHBondContact CE1-OG 3.45Å; F855-S910 WeakPolarHBondContact CE2-OG 3.27Å; F855-S910 VanDerWaalsContact CG-CB 3.49Å; F855-S910 WeakPolarHBondContact CG-OG 3.3Å; F855-S910 WeakPolarHBondContact CZ-OG 3.29Å; I906-S910 PolarHBondContact O-N 3.01Å; I906-S910 VanDerWaalsContact O-N 3.08Å; I906-S910 PolarHBondContact O-OG 3.22Å; I907-S910 PolarHBondContact O-OG 2.71Å; S910-M912 VanDerWaalsContact C-N 3.3Å; S910-M912 PolarHBondContact O-N 3.35Å; S910-A913 PolarHBondContact O-N 2.95Å; S910-T914 PolarHBondContact O-N 3.37Å; S910-T914 PolarHBondContact O-OG1 3.16Å |
| 911 | S | 66 | Low | 61.5 | Low | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.4 | -42.4 | 171.7 | -77.5 | 0 | 0 | 0 | 0 | 112.2 | F855 I907 T914 I915 | F855-S911 VanDerWaalsContact CE1-N 3.26Å; I907-S911 VanDerWaalsContact O-CB 3.24Å; I907-S911 WeakPolarHBondContact O-CB 3.22Å; I907-S911 PolarHBondContact O-N 3.41Å; I907-S911 PolarHBondContact O-OG 2.68Å; I907-S911 VanDerWaalsContact O-OG 3.12Å; S911-T914 PolarHBondContact O-N 3.29Å; S911-I915 VanDerWaalsContact O-CG1 3.31Å; S911-I915 WeakPolarHBondContact O-CG1 3.08Å; S911-I915 PolarHBondContact O-N 3.5Å; S911-I915 VanDerWaalsContact O-N 3.12Å |
| 912 | M | 66.9 | Low | 61 | Low | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71.7 | -35.6 | 176 | -77 | -60.6 | 157.8 | 0 | 0 | 113.4 | F908 S910 T914 I915 N916 K954 T985 | F908-M912 HydrophobicContact CD1-CG 4.39Å; F908-M912 HydrophobicContact CE1-CG 3.69Å; F908-M912 HydrophobicContact CE2-CE 4.03Å; F908-M912 HydrophobicContact CE2-CG 4.35Å; F908-M912 HydrophobicContact CZ-CE 3.78Å; F908-M912 HydrophobicContact CZ-CG 3.62Å; F908-M912 HydrophobicContact CZ-SD 4.44Å; F908-M912 PolarHBondContact O-N 3.47Å; S910-M912 VanDerWaalsContact C-N 3.3Å; S910-M912 PolarHBondContact O-N 3.35Å; M912-T914 VanDerWaalsContact C-N 3.31Å; M912-T914 PolarHBondContact O-N 3.28Å; M912-I915 HydrophobicContact CE-CD1 3.84Å; M912-I915 PolarHBondContact O-N 3.33Å; M912-I915 HydrophobicContact SD-CD1 3.68Å; M912-N916 WeakPolarHBondContact O-CB 3.42Å; M912-N916 VanDerWaalsContact O-CG 3.29Å; M912-N916 PolarHBondContact O-N 3.26Å; M912-N916 PolarHBondContact O-ND2 3.01Å; M912-K954 HydrophobicContact CE-CB 3.82Å; M912-K954 HydrophobicContact CE-CD 3.6Å; M912-K954 HydrophobicContact CE-CG 3.65Å; M912-T985 HydrophobicContact CB-CG2 4.15Å; M912-T985 HydrophobicContact CG-CG2 4.41Å |
| 913 | A | 62.8 | Low | 60.4 | Low | 28 Ų | 28 | 40.6 Ų | 40.6 | 23% | 0.231 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S909 S910 N916 Q917 | S909-A913 WeakPolarHBondContact O-CB 3.28Å; S909-A913 PolarHBondContact O-N 2.83Å; S910-A913 PolarHBondContact O-N 2.95Å; A913-N916 PolarHBondContact O-N 3.01Å; A913-Q917 WeakPolarHBondContact O-CG 3.28Å; A913-Q917 PolarHBondContact O-N 3.48Å |
| 914 | T | 64 | Low | 59.4 | Low | 39 Ų | 39 | 46.7 Ų | 46.7 | 24% | 0.239 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 176.8 | -39.9 | 0 | 0 | 0 | 0 | 112.2 | I872 S910 S911 M912 N916 Q917 L918 | I872-T914 HydrophobicContact CD1-CG2 4.1Å; S910-T914 PolarHBondContact O-N 3.37Å; S910-T914 PolarHBondContact O-OG1 3.16Å; S911-T914 PolarHBondContact O-N 3.29Å; M912-T914 VanDerWaalsContact C-N 3.31Å; M912-T914 PolarHBondContact O-N 3.28Å; T914-N916 VanDerWaalsContact C-N 3.33Å; T914-N916 PolarHBondContact O-N 3Å; T914-Q917 PolarHBondContact O-N 3.26Å; T914-L918 HydrophobicContact CG2-CD1 4.48Å; T914-L918 WeakPolarHBondContact O-CB 3.23Å; T914-L918 WeakPolarHBondContact O-CG 3.4Å; T914-L918 PolarHBondContact O-N 2.74Å |
| 915 | I | 67.9 | Low | 58 | Low | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 174.6 | -66.5 | 163 | 0 | 0 | 0 | 110.8 | I872 S911 M912 Q917 L918 N919 I950 | I872-I915 HydrophobicContact CD1-CG1 4.01Å; I872-I915 HydrophobicContact CG2-CD1 3.8Å; I872-I915 HydrophobicContact CG2-CG1 4.04Å; S911-I915 VanDerWaalsContact O-CG1 3.31Å; S911-I915 WeakPolarHBondContact O-CG1 3.08Å; S911-I915 PolarHBondContact O-N 3.5Å; S911-I915 VanDerWaalsContact O-N 3.12Å; M912-I915 HydrophobicContact CE-CD1 3.84Å; M912-I915 PolarHBondContact O-N 3.33Å; M912-I915 HydrophobicContact SD-CD1 3.68Å; I915-Q917 VanDerWaalsContact C-N 3.34Å; I915-Q917 PolarHBondContact O-N 3.15Å; I915-L918 PolarHBondContact O-N 3.36Å; I915-N919 PolarHBondContact O-N 3.13Å; I915-I950 HydrophobicContact CD1-CG2 3.5Å; I915-I950 VanDerWaalsContact CD1-CG2 3.5Å; I915-I950 HydrophobicContact CG1-CG2 4.46Å |
| 916 | N | 66.2 | Low | 56.7 | Low | 61 Ų | 61 | 56.1 Ų | 56.1 | 33% | 0.326 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 179.8 | -74.1 | -23.5 | 0 | 0 | 0 | 111.9 | M912 A913 T914 N920 N984 | M912-N916 WeakPolarHBondContact O-CB 3.42Å; M912-N916 VanDerWaalsContact O-CG 3.29Å; M912-N916 PolarHBondContact O-N 3.26Å; M912-N916 PolarHBondContact O-ND2 3.01Å; A913-N916 PolarHBondContact O-N 3.01Å; T914-N916 VanDerWaalsContact C-N 3.33Å; T914-N916 PolarHBondContact O-N 3Å; N916-N920 PolarHBondContact O-N 3.45Å; N916-N920 VanDerWaalsContact O-N 3.15Å; N916-N920 PolarHBondContact O-ND2 2.84Å; N916-N984 PolarHBondContact ND2-O 2.96Å |
| 917 | Q | 65.3 | Low | 55.3 | Low | 127 Ų | 127 | 60.1 Ų | 60.1 | 59% | 0.593 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.9 | -42.9 | 172.4 | -74.4 | 177.8 | -14.4 | 0 | 0 | 112.1 | A913 T914 I915 N919 N920 N921 | A913-Q917 WeakPolarHBondContact O-CG 3.28Å; A913-Q917 PolarHBondContact O-N 3.48Å; T914-Q917 PolarHBondContact O-N 3.26Å; I915-Q917 VanDerWaalsContact C-N 3.34Å; I915-Q917 PolarHBondContact O-N 3.15Å; Q917-N919 PolarHBondContact O-N 2.94Å; Q917-N920 PolarHBondContact O-N 2.91Å; Q917-N921 PolarHBondContact O-N 3.04Å; Q917-N921 VanDerWaalsContact O-N 3.16Å |
| 918 | L | 63.8 | Low | 53.7 | Low | 19 Ų | 19 | 66.4 Ų | 66.4 | 10% | 0.099 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 177 | -78.9 | 171.3 | 0 | 0 | 0 | 112.6 | L865 Q868 L869 I872 T914 I915 N922 | L865-L918 HydrophobicContact CD1-CD2 4.01Å; L865-L918 HydrophobicContact CG-CD2 3.9Å; Q868-L918 HydrophobicContact CB-CD1 4.34Å; L869-L918 HydrophobicContact CD2-CD1 4.31Å; I872-L918 HydrophobicContact CD1-CD1 4.24Å; T914-L918 HydrophobicContact CG2-CD1 4.48Å; T914-L918 WeakPolarHBondContact O-CB 3.23Å; T914-L918 WeakPolarHBondContact O-CG 3.4Å; T914-L918 PolarHBondContact O-N 2.74Å; I915-L918 PolarHBondContact O-N 3.36Å; L918-N922 PolarHBondContact O-N 2.92Å |
| 919 | N | 62.7 | Low | 52.1 | Low | 47 Ų | 47 | 73 Ų | 73 | 25% | 0.251 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.5 | -34 | 177.5 | -79 | -15.3 | 0 | 0 | 0 | 112.9 | I915 Q917 Y951 | I915-N919 PolarHBondContact O-N 3.13Å; Q917-N919 PolarHBondContact O-N 2.94Å; N919-Y951 PolarHBondContact ND2-OH 2.92Å |
| 920 | N | 55.3 | Low | 50.6 | Low | 105 Ų | 105 | 78.1 Ų | 78.1 | 56% | 0.561 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -70 | -40 | 176.8 | -73.5 | -14.6 | 0 | 0 | 0 | 111.8 | N916 Q917 N922 N923 | N916-N920 PolarHBondContact O-N 3.45Å; N916-N920 VanDerWaalsContact O-N 3.15Å; N916-N920 PolarHBondContact O-ND2 2.84Å; Q917-N920 PolarHBondContact O-N 2.91Å; N920-N922 VanDerWaalsContact C-N 3.29Å; N920-N922 PolarHBondContact O-N 2.76Å; N920-N923 PolarHBondContact O-N 3.09Å |
| 921 | N | 52.6 | Low | 49 | Very low | 113 Ų | 113 | 83.8 Ų | 83.8 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.4 | -25.9 | 179.2 | -72.2 | -8.9 | 0 | 0 | 0 | 113.7 | Q917 | Q917-N921 PolarHBondContact O-N 3.04Å; Q917-N921 VanDerWaalsContact O-N 3.16Å |
| 922 | N | 45.7 | Very low | 47.3 | Very low | 84 Ų | 84 | 91.4 Ų | 91.4 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -78.9 | -22.3 | 176.9 | -79.8 | -19.7 | 0 | 0 | 0 | 113.6 | L918 N920 T925 | L918-N922 PolarHBondContact O-N 2.92Å; N920-N922 VanDerWaalsContact C-N 3.29Å; N920-N922 PolarHBondContact O-N 2.76Å; N922-T925 PolarHBondContact O-OG1 3.31Å |
| 923 | N | 39.6 | Very low | 45.6 | Very low | 112 Ų | 112 | 98.4 Ų | 98.4 | 60% | 0.599 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -84.4 | -24.3 | -180 | -74.7 | -25.3 | 0 | 0 | 0 | 113.1 | N920 T925 T926 | N920-N923 PolarHBondContact O-N 3.09Å; N923-T925 VanDerWaalsContact C-N 3.27Å; N923-T925 PolarHBondContact O-N 3.38Å; N923-T926 PolarHBondContact O-OG1 3.39Å |
| 924 | D | 37.3 | Very low | 44.1 | Very low | 135 Ų | 135 | 103.7 Ų | 103.7 | 72% | 0.722 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -6.3 | -178.6 | -75.6 | -19 | 0 | 0 | 0 | 114.5 | ||
| 925 | T | 34.4 | Very low | 42.5 | Very low | 115 Ų | 115 | 108.4 Ų | 108.4 | 71% | 0.706 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 5.8 | -178.8 | 51 | 0 | 0 | 0 | 0 | 115.4 | N922 N923 | N922-T925 PolarHBondContact O-OG1 3.31Å; N923-T925 VanDerWaalsContact C-N 3.27Å; N923-T925 PolarHBondContact O-N 3.38Å |
| 926 | T | 32.1 | Very low | 40.7 | Very low | 113 Ų | 113 | 115.9 Ų | 115.9 | 69% | 0.693 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -107.1 | 10.6 | -176.2 | 52.5 | 0 | 0 | 0 | 0 | 116 | N923 | N923-T926 PolarHBondContact O-OG1 3.39Š|
| 927 | T | 29.4 | Very low | 39 | Very low | 114 Ų | 114 | 120.3 Ų | 120.3 | 70% | 0.699 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -134.7 | 75.6 | 172 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 928 | T | 28.9 | Very low | 37.6 | Very low | 133 Ų | 133 | 121.2 Ų | 121.2 | 82% | 0.816 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 166.4 | 135.9 | 131.7 | 36.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 929 | T | 30.4 | Very low | 36.4 | Very low | 138 Ų | 138 | 126.2 Ų | 126.2 | 85% | 0.847 | 70% | 0.703 | S | S | * | * | trans | 81.1 | 88.6 | 169.5 | 59.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 930 | T | 29.3 | Very low | 35.3 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 77% | 0.767 | 72% | 0.716 | S | S | * | * | trans | -21.5 | 147.2 | 143.5 | 44.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 931 | N | 28.8 | Very low | 34.7 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | trans | 84.4 | 92.4 | 158.4 | -63.6 | -10.9 | 0 | 0 | 0 | 118 | ||||
| 932 | N | 31.1 | Very low | 34.7 | Very low | 161 Ų | 161 | 125.8 Ų | 125.8 | 86% | 0.861 | 71% | 0.712 | S | S | * | * | -169.9 | 121.2 | 108.9 | -95.1 | -22.1 | 0 | 0 | 0 | 112 | |||||
| 933 | N | 31.1 | Very low | 35.2 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 80% | 0.802 | 70% | 0.704 | S | S | * | * | trans | -59.4 | 131.6 | 162.8 | -74.3 | -28.3 | 0 | 0 | 0 | 109.9 | ||||
| 934 | N | 31.3 | Very low | 36 | Very low | 139 Ų | 139 | 124 Ų | 124 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | 174.8 | 120.4 | 119.6 | -88.1 | -19.2 | 0 | 0 | 0 | 111.2 | |||||
| 935 | N | 29 | Very low | 37.2 | Very low | 138 Ų | 138 | 123 Ų | 123 | 74% | 0.738 | 69% | 0.694 | S | S | * | * | trans | 53.6 | 96.8 | 139 | -60 | -15.5 | 0 | 0 | 0 | 118.2 | ||||
| 936 | N | 31.4 | Very low | 38.4 | Very low | 161 Ų | 161 | 120.4 Ų | 120.4 | 86% | 0.861 | 67% | 0.671 | S | S | * | * | -169.2 | 90 | 112.5 | -91.3 | -18.2 | 0 | 0 | 0 | 110.2 | N938 | N936-N938 PolarHBondContact O-N 2.66Š| |||
| 937 | N | 30.3 | Very low | 40.1 | Very low | 155 Ų | 155 | 117.1 Ų | 117.1 | 83% | 0.829 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 115.6 | 160.8 | -74.1 | -23.5 | 0 | 0 | 0 | 108.6 | ||
| 938 | N | 36.1 | Very low | 42 | Very low | 146 Ų | 146 | 117.8 Ų | 117.8 | 78% | 0.781 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.8 | -14.1 | 147.8 | -88.3 | -12 | 0 | 0 | 0 | 114.4 | N936 | N936-N938 PolarHBondContact O-N 2.66Š|
| 939 | N | 38.6 | Very low | 43.9 | Very low | 124 Ų | 124 | 113.6 Ų | 113.6 | 66% | 0.663 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -94.7 | -7.2 | -177.3 | -85.7 | -6.5 | 0 | 0 | 0 | 115.9 | ||
| 940 | G | 39.4 | Very low | 45.6 | Very low | 51 Ų | 51 | 107.2 Ų | 107.2 | 53% | 0.526 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72.5 | -29.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 941 | N | 42.6 | Very low | 47.6 | Very low | 131 Ų | 131 | 105 Ų | 105 | 70% | 0.701 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -75.5 | -41.5 | -179.6 | -90.8 | 3.9 | 0 | 0 | 0 | 112.8 | N943 N944 E945 | N941-N943 VanDerWaalsContact C-N 3.34Å; N941-N943 PolarHBondContact O-N 2.63Å; N941-N944 PolarHBondContact O-N 3.41Å; N941-E945 PolarHBondContact O-N 3.28Å; N941-E945 VanDerWaalsContact O-N 3.17Å |
| 942 | N | 51.6 | Low | 49.6 | Very low | 74 Ų | 74 | 103.4 Ų | 103.4 | 40% | 0.396 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65 | -37.8 | -175.9 | -67.4 | 0.5 | 0 | 0 | 0 | 112 | N944 E945 Y946 | N942-N944 VanDerWaalsContact C-N 3.34Å; N942-N944 PolarHBondContact O-N 3.46Å; N942-E945 PolarHBondContact O-N 3.48Å; N942-Y946 WeakPolarHBondContact O-CD2 3.21Å; N942-Y946 PolarHBondContact O-N 3.07Å; N942-Y946 VanDerWaalsContact O-N 3.11Å |
| 943 | N | 56.4 | Low | 51.2 | Low | 52 Ų | 52 | 96.3 Ų | 96.3 | 28% | 0.278 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 179.6 | -71.4 | -10.4 | 0 | 0 | 0 | 112.4 | N941 L947 | N941-N943 VanDerWaalsContact C-N 3.34Å; N941-N943 PolarHBondContact O-N 2.63Å; N943-L947 PolarHBondContact O-N 3.43Å; N943-L947 VanDerWaalsContact O-N 3.16Å |
| 944 | N | 57.4 | Low | 52.8 | Low | 105 Ų | 105 | 91.3 Ų | 91.3 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -70.3 | -38.3 | 177 | -75.7 | -9.4 | 0 | 0 | 0 | 111.9 | N941 N942 L947 E948 | N941-N944 PolarHBondContact O-N 3.41Å; N942-N944 VanDerWaalsContact C-N 3.34Å; N942-N944 PolarHBondContact O-N 3.46Å; N944-L947 WeakPolarHBondContact O-CB 3.35Å; N944-L947 PolarHBondContact O-N 2.73Å; N944-E948 PolarHBondContact O-N 3.16Å |
| 945 | E | 61.3 | Low | 54.4 | Low | 115 Ų | 115 | 88.8 Ų | 88.8 | 54% | 0.537 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 176.6 | -165.6 | 176.6 | -169.1 | 0 | 0 | 111.7 | N941 N942 L947 E948 D949 | N941-E945 PolarHBondContact O-N 3.28Å; N941-E945 VanDerWaalsContact O-N 3.17Å; N942-E945 PolarHBondContact O-N 3.48Å; E945-L947 VanDerWaalsContact C-N 3.32Å; E945-L947 PolarHBondContact O-N 2.87Å; E945-E948 PolarHBondContact O-N 3.2Å; E945-D949 PolarHBondContact O-N 3.28Å |
| 946 | Y | 60.4 | Low | 56.1 | Low | 60 Ų | 60 | 86.1 Ų | 86.1 | 24% | 0.235 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63.1 | -37 | 173.3 | -84.2 | -75.1 | 0 | 0 | 0 | 112.7 | L866 K870 K873 N942 I950 | L866-Y946 HydrophobicContact CD1-CD2 3.61Å; L866-Y946 HydrophobicContact CD1-CE2 3.63Å; K870-Y946 HydrophobicContact CB-CE1 4.49Å; K870-Y946 HydrophobicContact CG-CE1 4.35Å; K873-Y946 HydrophobicContact CD-CD1 3.77Å; K873-Y946 HydrophobicContact CD-CE1 3.95Å; N942-Y946 WeakPolarHBondContact O-CD2 3.21Å; N942-Y946 PolarHBondContact O-N 3.07Å; N942-Y946 VanDerWaalsContact O-N 3.11Å; Y946-I950 WeakPolarHBondContact O-CB 3.48Å; Y946-I950 WeakPolarHBondContact O-CD1 3.19Å; Y946-I950 WeakPolarHBondContact O-CG1 3.41Å; Y946-I950 PolarHBondContact O-N 2.92Å |
| 947 | L | 66.8 | Low | 57.4 | Low | 44 Ų | 44 | 78.5 Ų | 78.5 | 23% | 0.23 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.4 | -45.5 | 177 | -127.7 | 85.5 | 0 | 0 | 0 | 111.1 | L869 N943 N944 E945 I950 Y951 | L869-L947 HydrophobicContact CD1-CD1 3.83Å; L869-L947 HydrophobicContact CD2-CD1 3.64Å; L869-L947 HydrophobicContact CG-CD1 4.41Å; N943-L947 PolarHBondContact O-N 3.43Å; N943-L947 VanDerWaalsContact O-N 3.16Å; N944-L947 WeakPolarHBondContact O-CB 3.35Å; N944-L947 PolarHBondContact O-N 2.73Å; E945-L947 VanDerWaalsContact C-N 3.32Å; E945-L947 PolarHBondContact O-N 2.87Å; L947-I950 PolarHBondContact O-N 3.16Å; L947-Y951 HydrophobicContact CD2-CE2 3.76Å; L947-Y951 HydrophobicContact CG-CD2 4.45Å; L947-Y951 HydrophobicContact CG-CE2 3.93Å; L947-Y951 WeakPolarHBondContact O-CD2 3.38Å; L947-Y951 PolarHBondContact O-N 3.15Å |
| 948 | E | 69.3 | Low | 58.6 | Low | 129 Ų | 129 | 74 Ų | 74 | 60% | 0.603 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.6 | -45.8 | 175.3 | -89.9 | -174.3 | 155.6 | 0 | 0 | 111.5 | N944 E945 I950 Y951 Q952 | N944-E948 PolarHBondContact O-N 3.16Å; E945-E948 PolarHBondContact O-N 3.2Å; E948-I950 VanDerWaalsContact C-N 3.32Å; E948-I950 PolarHBondContact O-N 3.11Å; E948-Y951 PolarHBondContact O-N 3.18Å; E948-Q952 WeakPolarHBondContact O-CB 3.09Å; E948-Q952 WeakPolarHBondContact O-CG 3.48Å; E948-Q952 PolarHBondContact O-N 3.37Å |
| 949 | D | 68.5 | Low | 59.4 | Low | 45 Ų | 45 | 73.6 Ų | 73.6 | 24% | 0.241 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 176.7 | -76.8 | -21.6 | 0 | 0 | 0 | 112.4 | K873 E945 Q952 L953 | K873-D949 HydrophobicContact CD-CB 4.16Å; K873-D949 IonicContact NZ-OD2 3.11Å; K873-D949 PolarHBondContact NZ-OD2 3.27Å; E945-D949 PolarHBondContact O-N 3.28Å; D949-Q952 PolarHBondContact O-N 3.18Å; D949-L953 WeakPolarHBondContact O-CB 3.33Å; D949-L953 WeakPolarHBondContact O-CG 3.29Å; D949-L953 PolarHBondContact O-N 3.14Å |
| 950 | I | 67.8 | Low | 59.4 | Low | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 176.5 | -75.2 | 165.9 | 0 | 0 | 0 | 110.7 | L869 I872 K873 L876 I915 Y946 L947 E948 L953 K954 | L869-I950 HydrophobicContact CB-CD1 4.22Å; L869-I950 HydrophobicContact CD2-CD1 3.78Å; I872-I950 HydrophobicContact CB-CD1 4.25Å; I872-I950 HydrophobicContact CG2-CD1 4Å; I872-I950 HydrophobicContact CG2-CG1 4.3Å; I872-I950 HydrophobicContact CG2-CG2 4.21Å; K873-I950 HydrophobicContact CB-CD1 4.47Å; K873-I950 HydrophobicContact CB-CG1 3.99Å; L876-I950 HydrophobicContact CD1-CB 4.47Å; L876-I950 HydrophobicContact CD1-CG2 3.81Å; I915-I950 HydrophobicContact CD1-CG2 3.5Å; I915-I950 VanDerWaalsContact CD1-CG2 3.5Å; I915-I950 HydrophobicContact CG1-CG2 4.46Å; Y946-I950 WeakPolarHBondContact O-CB 3.48Å; Y946-I950 WeakPolarHBondContact O-CD1 3.19Å; Y946-I950 WeakPolarHBondContact O-CG1 3.41Å; Y946-I950 PolarHBondContact O-N 2.92Å; L947-I950 PolarHBondContact O-N 3.16Å; E948-I950 VanDerWaalsContact C-N 3.32Å; E948-I950 PolarHBondContact O-N 3.11Å; I950-L953 PolarHBondContact O-N 3.41Å; I950-K954 WeakPolarHBondContact O-CB 3.26Å; I950-K954 PolarHBondContact O-N 3.13Å |
| 951 | Y | 70.4 | Confident | 59.5 | Low | 79 Ų | 79 | 70.2 Ų | 70.2 | 31% | 0.31 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69 | -37.2 | 176.7 | -74.4 | -59.2 | 0 | 0 | 0 | 112.2 | N919 L947 E948 K954 D955 | N919-Y951 PolarHBondContact ND2-OH 2.92Å; L947-Y951 HydrophobicContact CD2-CE2 3.76Å; L947-Y951 HydrophobicContact CG-CD2 4.45Å; L947-Y951 HydrophobicContact CG-CE2 3.93Å; L947-Y951 WeakPolarHBondContact O-CD2 3.38Å; L947-Y951 PolarHBondContact O-N 3.15Å; E948-Y951 PolarHBondContact O-N 3.18Å; Y951-K954 HydrophobicContact CD1-CD 4.14Å; Y951-K954 WeakPolarHBondContact O-CB 3.49Å; Y951-K954 PolarHBondContact O-N 3.32Å; Y951-D955 PolarHBondContact O-N 2.89Å |
| 952 | Q | 69.9 | Low | 59.5 | Low | 110 Ų | 110 | 66.2 Ų | 66.2 | 51% | 0.514 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 172.3 | -74.5 | -176.3 | 13.2 | 0 | 0 | 111.9 | E948 D949 K954 D955 Q956 | E948-Q952 WeakPolarHBondContact O-CB 3.09Å; E948-Q952 WeakPolarHBondContact O-CG 3.48Å; E948-Q952 PolarHBondContact O-N 3.37Å; D949-Q952 PolarHBondContact O-N 3.18Å; Q952-K954 VanDerWaalsContact C-N 3.35Å; Q952-D955 PolarHBondContact O-N 3.24Å; Q952-Q956 WeakPolarHBondContact O-CG 3.33Å; Q952-Q956 PolarHBondContact O-N 3.47Å |
| 953 | L | 64.8 | Low | 59 | Low | 12 Ų | 12 | 68.8 Ų | 68.8 | 6% | 0.063 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 176.3 | -81.7 | 165.3 | 0 | 0 | 0 | 111.8 | K873 L876 N877 D949 I950 D955 Q956 I957 | K873-L953 HydrophobicContact CG-CD1 3.89Å; L876-L953 HydrophobicContact CB-CB 4.25Å; L876-L953 HydrophobicContact CB-CD1 4.44Å; N877-L953 WeakPolarHBondContact OD1-CD1 3.34Å; N877-L953 WeakPolarHBondContact OD1-CD2 3.26Å; D949-L953 WeakPolarHBondContact O-CB 3.33Å; D949-L953 WeakPolarHBondContact O-CG 3.29Å; D949-L953 PolarHBondContact O-N 3.14Å; I950-L953 PolarHBondContact O-N 3.41Å; L953-D955 VanDerWaalsContact C-N 3.32Å; L953-D955 PolarHBondContact O-N 2.92Å; L953-Q956 PolarHBondContact O-N 3.27Å; L953-I957 WeakPolarHBondContact O-CB 3Å; L953-I957 WeakPolarHBondContact O-CD1 3.34Å; L953-I957 WeakPolarHBondContact O-CG1 3.44Å; L953-I957 PolarHBondContact O-N 2.61Å |
| 954 | K | 66.5 | Low | 58.3 | Low | 44 Ų | 44 | 66.8 Ų | 66.8 | 19% | 0.191 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -53.2 | -52 | 170.9 | 170.9 | -162.8 | -179.6 | -173.1 | 0 | 110 | F908 M912 I950 Y951 Q952 Q956 I957 F958 | F908-K954 HydrophobicContact CE2-CG 4.44Å; F908-K954 HydrophobicContact CZ-CG 4.27Å; M912-K954 HydrophobicContact CE-CB 3.82Å; M912-K954 HydrophobicContact CE-CD 3.6Å; M912-K954 HydrophobicContact CE-CG 3.65Å; I950-K954 WeakPolarHBondContact O-CB 3.26Å; I950-K954 PolarHBondContact O-N 3.13Å; Y951-K954 HydrophobicContact CD1-CD 4.14Å; Y951-K954 WeakPolarHBondContact O-CB 3.49Å; Y951-K954 PolarHBondContact O-N 3.32Å; Q952-K954 VanDerWaalsContact C-N 3.35Å; K954-Q956 PolarHBondContact O-N 2.79Å; K954-I957 PolarHBondContact O-N 2.87Å; K954-F958 HydrophobicContact CG-CD2 4.19Å; K954-F958 HydrophobicContact CG-CE2 4.28Å; K954-F958 VanDerWaalsContact O-CD2 3.23Å; K954-F958 WeakPolarHBondContact O-CD2 3.17Å; K954-F958 PolarHBondContact O-N 2.93Å; K954-F958 VanDerWaalsContact O-N 3.13Å |
| 955 | D | 64.5 | Low | 57.5 | Low | 86 Ų | 86 | 64.5 Ų | 64.5 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67 | -37.2 | -177.7 | -69.6 | -13.2 | 0 | 0 | 0 | 112.2 | Y951 Q952 L953 F958 N959 | Y951-D955 PolarHBondContact O-N 2.89Å; Q952-D955 PolarHBondContact O-N 3.24Å; L953-D955 VanDerWaalsContact C-N 3.32Å; L953-D955 PolarHBondContact O-N 2.92Å; D955-F958 PolarHBondContact O-N 2.86Å; D955-N959 WeakPolarHBondContact O-CB 3.44Å; D955-N959 VanDerWaalsContact O-CG 3.31Å; D955-N959 PolarHBondContact O-N 2.8Å |
| 956 | Q | 63.3 | Low | 56.4 | Low | 83 Ų | 83 | 61.5 Ų | 61.5 | 39% | 0.388 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 174.4 | -74.2 | 177.7 | 2 | 0 | 0 | 112.6 | Y880 Q952 L953 K954 F958 N959 L960 | Y880-Q956 HydrophobicContact CD2-CB 4.32Å; Y880-Q956 HydrophobicContact CE2-CB 4.02Å; Q952-Q956 WeakPolarHBondContact O-CG 3.33Å; Q952-Q956 PolarHBondContact O-N 3.47Å; L953-Q956 PolarHBondContact O-N 3.27Å; K954-Q956 PolarHBondContact O-N 2.79Å; Q956-F958 PolarHBondContact O-N 3.47Å; Q956-N959 PolarHBondContact O-N 3.36Å; Q956-L960 PolarHBondContact O-N 3.49Å |
| 957 | I | 59.4 | Low | 55.5 | Low | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.2 | -35.7 | 175.8 | -72.4 | 166 | 0 | 0 | 0 | 110.5 | L876 I879 Y880 K883 F904 L953 K954 | L876-I957 HydrophobicContact CB-CD1 4Å; L876-I957 HydrophobicContact CD2-CD1 3.84Å; L876-I957 HydrophobicContact CG-CD1 4.5Å; L876-I957 WeakPolarHBondContact O-CD1 3.4Å; I879-I957 HydrophobicContact CB-CD1 4.31Å; I879-I957 HydrophobicContact CG2-CD1 4.16Å; I879-I957 HydrophobicContact CG2-CG1 4.46Å; I879-I957 HydrophobicContact CG2-CG2 4.25Å; Y880-I957 HydrophobicContact CD2-CG1 4.23Å; K883-I957 PolarHBondContact NZ-O 3.38Å; F904-I957 HydrophobicContact CE2-CG2 3.36Å; F904-I957 HydrophobicContact CZ-CG2 3.44Å; F904-I957 VanDerWaalsContact CZ-CG2 3.44Å; L953-I957 WeakPolarHBondContact O-CB 3Å; L953-I957 WeakPolarHBondContact O-CD1 3.34Å; L953-I957 WeakPolarHBondContact O-CG1 3.44Å; L953-I957 PolarHBondContact O-N 2.61Å; K954-I957 PolarHBondContact O-N 2.87Å |
| 958 | F | 56.6 | Low | 54.4 | Low | 61 Ų | 61 | 61.3 Ų | 61.3 | 27% | 0.268 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -83.8 | -34.9 | 177.6 | -82.2 | -72.5 | 0 | 0 | 0 | 115.1 | F908 K954 D955 Q956 L960 F981 I987 | F908-F958 HydrophobicContact CD1-CZ 4.4Å; F908-F958 AromaticContact CE1-CE2 3.76Å; F908-F958 HydrophobicContact CE1-CE2 3.76Å; F908-F958 AromaticContact CE1-CZ 3.73Å; F908-F958 HydrophobicContact CE1-CZ 3.73Å; F908-F958 AromaticContact CE2-CE2 3.78Å; F908-F958 HydrophobicContact CE2-CE2 3.78Å; F908-F958 HydrophobicContact CE2-CZ 4.38Å; F908-F958 HydrophobicContact CZ-CD2 4.39Å; F908-F958 AromaticContact CZ-CE2 3.28Å; F908-F958 HydrophobicContact CZ-CE2 3.28Å; F908-F958 AromaticContact CZ-CZ 3.77Å; F908-F958 HydrophobicContact CZ-CZ 3.77Å; K954-F958 HydrophobicContact CG-CD2 4.19Å; K954-F958 HydrophobicContact CG-CE2 4.28Å; K954-F958 VanDerWaalsContact O-CD2 3.23Å; K954-F958 WeakPolarHBondContact O-CD2 3.17Å; K954-F958 PolarHBondContact O-N 2.93Å; K954-F958 VanDerWaalsContact O-N 3.13Å; D955-F958 PolarHBondContact O-N 2.86Å; Q956-F958 PolarHBondContact O-N 3.47Å; F958-L960 CarbonylContact O-C 3.49Å; F958-L960 PolarHBondContact O-N 2.99Å; F958-F981 HydrophobicContact CZ-CZ 4.29Å; F958-I987 HydrophobicContact CD2-CD1 4.36Å; F958-I987 HydrophobicContact CE1-CG2 4.49Å; F958-I987 HydrophobicContact CE2-CD1 3.35Å; F958-I987 HydrophobicContact CZ-CD1 3.57Å; F958-I987 HydrophobicContact CZ-CG2 4.21Å |
| 959 | N | 52.1 | Low | 53.1 | Low | 138 Ų | 138 | 55.9 Ų | 55.9 | 74% | 0.738 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.5 | -24.7 | 177.8 | -82.4 | -16.6 | 0 | 0 | 0 | 112.5 | D955 Q956 S961 | D955-N959 WeakPolarHBondContact O-CB 3.44Å; D955-N959 VanDerWaalsContact O-CG 3.31Å; D955-N959 PolarHBondContact O-N 2.8Å; Q956-N959 PolarHBondContact O-N 3.36Å; N959-S961 PolarHBondContact O-N 3.29Å |
| 960 | L | 38.2 | Very low | 51.8 | Low | 42 Ų | 42 | 56.2 Ų | 56.2 | 22% | 0.22 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -72.9 | 83.1 | 165 | -69.1 | 160.9 | 0 | 0 | 0 | 108.3 | Y880 K883 Q956 F958 I962 | Y880-L960 HydrophobicContact CD2-CD1 4.02Å; Y880-L960 HydrophobicContact CE2-CD1 3.58Å; K883-L960 HydrophobicContact CD-CB 4Å; K883-L960 HydrophobicContact CD-CD1 4.07Å; K883-L960 VanDerWaalsContact CE-O 3.27Å; K883-L960 WeakPolarHBondContact CE-O 3.08Å; K883-L960 PolarHBondContact NZ-O 2.93Å; Q956-L960 PolarHBondContact O-N 3.49Å; F958-L960 CarbonylContact O-C 3.49Å; F958-L960 PolarHBondContact O-N 2.99Å; L960-I962 PolarHBondContact O-N 3.14Å |
| 961 | S | 41.8 | Very low | 50.5 | Low | 61 Ų | 61 | 57 Ų | 57 | 43% | 0.427 | 29% | 0.286 | S | S | . | . | trans | -46.8 | 125.7 | -179 | 40.8 | 0 | 0 | 0 | 0 | 112.4 | N959 E963 | N959-S961 PolarHBondContact O-N 3.29Å; S961-E963 PolarHBondContact O-N 3.46Å; S961-E963 VanDerWaalsContact O-N 3.12Å | ||
| 962 | I | 43.1 | Very low | 49.2 | Very low | 47 Ų | 47 | 54.1 Ų | 54.1 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | trans | -73.9 | 95.9 | 171.2 | -70.7 | 164.8 | 0 | 0 | 0 | 106.8 | F901 L960 I964 | F901-I962 HydrophobicContact CE1-CB 4.34Å; F901-I962 HydrophobicContact CE1-CD1 3.87Å; F901-I962 HydrophobicContact CE1-CG1 3.88Å; F901-I962 HydrophobicContact CE1-CG2 3.52Å; F901-I962 HydrophobicContact CZ-CB 4.43Å; F901-I962 HydrophobicContact CZ-CG1 4.35Å; F901-I962 HydrophobicContact CZ-CG2 3.42Å; F901-I962 VanDerWaalsContact CZ-CG2 3.42Å; L960-I962 PolarHBondContact O-N 3.14Å; I962-I964 HydrophobicContact CB-CG1 4.46Å; I962-I964 HydrophobicContact CG2-CD1 3.7Å; I962-I964 HydrophobicContact CG2-CG1 3.23Å; I962-I964 PolarHBondContact O-N 2.76Å | ||
| 963 | E | 40.5 | Very low | 47.9 | Very low | 129 Ų | 129 | 51.3 Ų | 51.3 | 60% | 0.603 | 26% | 0.263 | S | S | * | . | trans | -73.5 | 103.7 | 168 | -79.1 | -173.8 | 164.3 | 0 | 0 | 108.8 | S961 Q968 | S961-E963 PolarHBondContact O-N 3.46Å; S961-E963 VanDerWaalsContact O-N 3.12Å; E963-Q968 PolarHBondContact O-OE1 2.84Å | ||
| 964 | I | 41.8 | Very low | 46.9 | Very low | 9 Ų | 9 | 56.7 Ų | 56.7 | 5% | 0.046 | 29% | 0.292 | C | S | . | . | trans | -98.6 | 110.5 | -179.5 | -45.4 | 171.4 | 0 | 0 | 0 | 108.2 | I962 Q968 M969 L972 I992 | I962-I964 HydrophobicContact CB-CG1 4.46Å; I962-I964 HydrophobicContact CG2-CD1 3.7Å; I962-I964 HydrophobicContact CG2-CG1 3.23Å; I962-I964 PolarHBondContact O-N 2.76Å; I964-Q968 HydrophobicContact CB-CB 4.45Å; I964-Q968 HydrophobicContact CG2-CB 3.32Å; I964-M969 HydrophobicContact CB-CG 4.13Å; I964-M969 HydrophobicContact CB-SD 3.97Å; I964-M969 HydrophobicContact CD1-SD 3.78Å; I964-M969 HydrophobicContact CG1-SD 4.47Å; I964-M969 HydrophobicContact CG2-CB 4.33Å; I964-M969 HydrophobicContact CG2-CG 3.53Å; I964-M969 HydrophobicContact CG2-SD 3.6Å; I964-M969 VanDerWaalsContact CG2-SD 3.6Å; I964-L972 HydrophobicContact CD1-CD1 3.76Å; I964-L972 HydrophobicContact CG1-CD1 4.26Å; I964-L972 HydrophobicContact CG2-CD1 3.7Å; I964-I992 HydrophobicContact CD1-CD1 4.45Å; I964-I992 HydrophobicContact CD1-CG2 4.09Å | ||
| 965 | N | 41.1 | Very low | 45.5 | Very low | 57 Ų | 57 | 58.6 Ų | 58.6 | 31% | 0.305 | 30% | 0.3 | S | S | . | . | trans | -71.5 | 167.4 | 170.8 | 73.8 | 21.5 | 0 | 0 | 0 | 111.3 | N894 I967 Q968 M969 | N894-N965 PolarHBondContact OD1-ND2 3.28Å; N965-I967 VanDerWaalsContact C-N 3.27Å; N965-I967 PolarHBondContact O-N 3.44Å; N965-I967 PolarHBondContact OD1-N 2.91Å; N965-Q968 VanDerWaalsContact CG-CD 3.44Å; N965-Q968 PolarHBondContact ND2-NE2 2.9Å; N965-Q968 VanDerWaalsContact ND2-NE2 3.19Å; N965-Q968 VanDerWaalsContact O-CA 3.32Å; N965-Q968 WeakPolarHBondContact O-CA 3.34Å; N965-Q968 WeakPolarHBondContact O-CB 3.28Å; N965-Q968 PolarHBondContact O-N 3.24Å; N965-Q968 VanDerWaalsContact OD1-CB 3.31Å; N965-Q968 WeakPolarHBondContact OD1-CB 3.43Å; N965-Q968 VanDerWaalsContact OD1-CD 3.23Å; N965-Q968 WeakPolarHBondContact OD1-CG 3.29Å; N965-Q968 PolarHBondContact OD1-N 3.24Å; N965-M969 PolarHBondContact O-N 3.18Å | ||
| 966 | E | 37.4 | Very low | 44.6 | Very low | 53 Ų | 53 | 55.5 Ų | 55.5 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.5 | -31.7 | -172.3 | -159.8 | 169.4 | -112.5 | 0 | 0 | 113.5 | Q968 N970 M1024 L1030 K1055 | E966-Q968 VanDerWaalsContact C-N 3.29Å; E966-N970 PolarHBondContact O-ND2 3.06Å; E966-M1024 WeakPolarHBondContact OE2-CE 3.48Å; E966-L1030 HydrophobicContact CG-CD1 4.47Å; E966-L1030 HydrophobicContact CG-CD2 3.33Å; E966-K1055 IonicContact OE1-NZ 3.57Å; E966-K1055 PolarHBondContact OE1-NZ 3Å; E966-K1055 VanDerWaalsContact OE1-NZ 3.1Å |
| 967 | I | 42.7 | Very low | 43.9 | Very low | 97 Ų | 97 | 56.2 Ų | 56.2 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 171.5 | -58.2 | 166.4 | 0 | 0 | 0 | 107.8 | N894 Y898 N965 M969 N970 S971 | N894-I967 HydrophobicContact CB-CG2 4.2Å; N894-I967 WeakPolarHBondContact ND2-CD1 3.13Å; Y898-I967 WeakPolarHBondContact OH-CG2 3.33Å; Y898-I967 PolarHBondContact OH-O 3.36Å; N965-I967 VanDerWaalsContact C-N 3.27Å; N965-I967 PolarHBondContact O-N 3.44Å; N965-I967 PolarHBondContact OD1-N 2.91Å; I967-M969 VanDerWaalsContact C-N 3.34Å; I967-M969 PolarHBondContact O-N 3.42Å; I967-N970 PolarHBondContact O-N 3.32Å; I967-S971 PolarHBondContact O-OG 3.25Å |
| 968 | Q | 42.2 | Very low | 43.4 | Very low | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -35.2 | -176.4 | -72.4 | 156.8 | 13.4 | 0 | 0 | 114.5 | N894 Y898 E963 I964 N965 E966 S971 L972 | N894-Q968 PolarHBondContact OD1-NE2 3.15Å; Y898-Q968 HydrophobicContact CE1-CB 3.96Å; Y898-Q968 HydrophobicContact CE1-CG 3.89Å; Y898-Q968 WeakPolarHBondContact CE1-O 3.19Å; Y898-Q968 WeakPolarHBondContact OH-CA 3.39Å; Y898-Q968 PolarHBondContact OH-N 3.27Å; Y898-Q968 VanDerWaalsContact OH-N 3.16Å; E963-Q968 PolarHBondContact O-OE1 2.84Å; I964-Q968 HydrophobicContact CB-CB 4.45Å; I964-Q968 HydrophobicContact CG2-CB 3.32Å; N965-Q968 VanDerWaalsContact CG-CD 3.44Å; N965-Q968 PolarHBondContact ND2-NE2 2.9Å; N965-Q968 VanDerWaalsContact ND2-NE2 3.19Å; N965-Q968 VanDerWaalsContact O-CA 3.32Å; N965-Q968 WeakPolarHBondContact O-CA 3.34Å; N965-Q968 WeakPolarHBondContact O-CB 3.28Å; N965-Q968 PolarHBondContact O-N 3.24Å; N965-Q968 VanDerWaalsContact OD1-CB 3.31Å; N965-Q968 WeakPolarHBondContact OD1-CB 3.43Å; N965-Q968 VanDerWaalsContact OD1-CD 3.23Å; N965-Q968 WeakPolarHBondContact OD1-CG 3.29Å; N965-Q968 PolarHBondContact OD1-N 3.24Å; E966-Q968 VanDerWaalsContact C-N 3.29Å; Q968-S971 PolarHBondContact O-N 2.95Å; Q968-L972 PolarHBondContact O-N 2.64Å; Q968-L972 VanDerWaalsContact O-N 3.15Å |
| 969 | M | 43 | Very low | 42.8 | Very low | 15 Ų | 15 | 57.6 Ų | 57.6 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 176.3 | -74.1 | -67.4 | -88.1 | 0 | 0 | 112.9 | I964 N965 I967 S971 L972 L1030 F1033 L1037 | I964-M969 HydrophobicContact CB-CG 4.13Å; I964-M969 HydrophobicContact CB-SD 3.97Å; I964-M969 HydrophobicContact CD1-SD 3.78Å; I964-M969 HydrophobicContact CG1-SD 4.47Å; I964-M969 HydrophobicContact CG2-CB 4.33Å; I964-M969 HydrophobicContact CG2-CG 3.53Å; I964-M969 HydrophobicContact CG2-SD 3.6Å; I964-M969 VanDerWaalsContact CG2-SD 3.6Å; N965-M969 PolarHBondContact O-N 3.18Å; I967-M969 VanDerWaalsContact C-N 3.34Å; I967-M969 PolarHBondContact O-N 3.42Å; M969-S971 PolarHBondContact O-N 3.08Å; M969-L972 PolarHBondContact O-N 3.15Å; M969-L1030 HydrophobicContact CB-CD1 3.79Å; M969-F1033 HydrophobicContact CB-CD1 4.5Å; M969-F1033 HydrophobicContact CB-CE1 4.39Å; M969-F1033 HydrophobicContact CE-CD1 4.02Å; M969-F1033 HydrophobicContact CE-CE1 3.64Å; M969-F1033 HydrophobicContact SD-CE1 3.98Å; M969-L1037 HydrophobicContact CE-CD1 3.23Å |
| 970 | N | 40.5 | Very low | 42.6 | Very low | 52 Ų | 52 | 55.3 Ų | 55.3 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.8 | -23.2 | -179.3 | -80.5 | -42.4 | 0 | 0 | 0 | 113.4 | E966 I967 L1030 | E966-N970 PolarHBondContact O-ND2 3.06Å; I967-N970 PolarHBondContact O-N 3.32Å; N970-L1030 WeakPolarHBondContact OD1-CB 3.43Å; N970-L1030 WeakPolarHBondContact OD1-CD1 3Å |
| 971 | S | 40.5 | Very low | 43 | Very low | 19 Ų | 19 | 53.6 Ų | 53.6 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -98.3 | -24.6 | -179.5 | -28.9 | 0 | 0 | 0 | 0 | 111.8 | Y898 I967 Q968 M969 E973 N974 F975 | Y898-S971 WeakPolarHBondContact CE1-OG 3.14Å; Y898-S971 VanDerWaalsContact CE2-OG 3.28Å; Y898-S971 WeakPolarHBondContact CE2-OG 3.32Å; Y898-S971 VanDerWaalsContact CZ-CB 3.47Å; Y898-S971 PolarHBondContact OH-OG 3.09Å; I967-S971 PolarHBondContact O-OG 3.25Å; Q968-S971 PolarHBondContact O-N 2.95Å; M969-S971 PolarHBondContact O-N 3.08Å; S971-E973 PolarHBondContact O-N 3.25Å; S971-N974 WeakPolarHBondContact O-CA 3Å; S971-N974 WeakPolarHBondContact O-CB 3.18Å; S971-N974 PolarHBondContact O-N 3.08Å; S971-F975 WeakPolarHBondContact O-CD2 3.46Å; S971-F975 PolarHBondContact O-N 3.06Å; S971-F975 VanDerWaalsContact O-N 3.1Å |
| 972 | L | 43.1 | Very low | 43.4 | Very low | 20 Ų | 20 | 55.6 Ų | 55.6 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.2 | -35.3 | 171.7 | -116.2 | 131.3 | 0 | 0 | 0 | 112.2 | I964 Q968 M969 N974 F975 M976 F1033 | I964-L972 HydrophobicContact CD1-CD1 3.76Å; I964-L972 HydrophobicContact CG1-CD1 4.26Å; I964-L972 HydrophobicContact CG2-CD1 3.7Å; Q968-L972 PolarHBondContact O-N 2.64Å; Q968-L972 VanDerWaalsContact O-N 3.15Å; M969-L972 PolarHBondContact O-N 3.15Å; L972-N974 VanDerWaalsContact C-N 3.28Å; L972-N974 PolarHBondContact O-N 3.44Å; L972-F975 PolarHBondContact O-N 3.2Å; L972-M976 HydrophobicContact CD2-CB 4.36Å; L972-M976 HydrophobicContact CD2-SD 3.64Å; L972-M976 WeakPolarHBondContact O-CB 3.03Å; L972-M976 PolarHBondContact O-N 2.66Å; L972-F1033 HydrophobicContact CB-CZ 4.25Å |
| 973 | E | 42.2 | Very low | 43.7 | Very low | 51 Ų | 51 | 61.5 Ų | 61.5 | 24% | 0.238 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.9 | -35 | 172.1 | -167.3 | -178.2 | 175.5 | 0 | 0 | 112.8 | S971 Y1032 F1033 | S971-E973 PolarHBondContact O-N 3.25Å; E973-Y1032 WeakPolarHBondContact OE1-CD1 3.46Å; E973-Y1032 WeakPolarHBondContact OE1-CE1 3.37Å; E973-F1033 HydrophobicContact CB-CD2 3.51Å; E973-F1033 HydrophobicContact CB-CE2 3.63Å; E973-F1033 HydrophobicContact CB-CG 4.14Å; E973-F1033 HydrophobicContact CB-CZ 4.34Å; E973-F1033 HydrophobicContact CG-CD2 3.5Å; E973-F1033 VanDerWaalsContact CG-CD2 3.5Å; E973-F1033 HydrophobicContact CG-CE2 3.92Å; E973-F1033 HydrophobicContact CG-CG 4.32Å |
| 974 | N | 44.4 | Very low | 43.7 | Very low | 124 Ų | 124 | 57.7 Ų | 57.7 | 66% | 0.663 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -81.7 | -23.3 | 180 | -65.4 | -30.4 | 0 | 0 | 0 | 112.9 | S971 L972 | S971-N974 WeakPolarHBondContact O-CA 3Å; S971-N974 WeakPolarHBondContact O-CB 3.18Å; S971-N974 PolarHBondContact O-N 3.08Å; L972-N974 VanDerWaalsContact C-N 3.28Å; L972-N974 PolarHBondContact O-N 3.44Å |
| 975 | F | 37.8 | Very low | 43.8 | Very low | 84 Ų | 84 | 57.6 Ų | 57.6 | 37% | 0.368 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -107.6 | -9 | -172.3 | -75.7 | -69.6 | 0 | 0 | 0 | 114.6 | Y898 Y902 S971 L972 | Y898-F975 HydrophobicContact CG-CE2 4.41Å; Y902-F975 HydrophobicContact CD2-CD1 4.05Å; Y902-F975 HydrophobicContact CG-CD1 4.39Å; S971-F975 WeakPolarHBondContact O-CD2 3.46Å; S971-F975 PolarHBondContact O-N 3.06Å; S971-F975 VanDerWaalsContact O-N 3.1Å; L972-F975 PolarHBondContact O-N 3.2Å |
| 976 | M | 44.2 | Very low | 44.1 | Very low | 21 Ų | 21 | 57.3 Ų | 57.3 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | trans | -141.6 | 110.3 | -170.1 | -160.6 | -178.8 | 174 | 0 | 0 | 111.9 | N905 L972 I978 F981 F989 | N905-M976 WeakPolarHBondContact ND2-CG 3.39Å; N905-M976 PolarHBondContact ND2-SD 3.48Å; N905-M976 VanDerWaalsContact OD1-CE 3.29Å; N905-M976 WeakPolarHBondContact OD1-CE 3.49Å; N905-M976 PolarHBondContact OD1-SD 2.85Å; L972-M976 HydrophobicContact CD2-CB 4.36Å; L972-M976 HydrophobicContact CD2-SD 3.64Å; L972-M976 WeakPolarHBondContact O-CB 3.03Å; L972-M976 PolarHBondContact O-N 2.66Å; M976-I978 PolarHBondContact O-N 3.36Å; M976-F981 HydrophobicContact CE-CB 3.51Å; M976-F981 HydrophobicContact CE-CD1 3.59Å; M976-F981 HydrophobicContact CE-CD2 3.19Å; M976-F981 HydrophobicContact CE-CE1 4.03Å; M976-F981 HydrophobicContact CE-CE2 3.66Å; M976-F981 HydrophobicContact CE-CG 3.13Å; M976-F981 HydrophobicContact CE-CZ 4.05Å; M976-F989 HydrophobicContact CE-CZ 4.03Å | ||
| 977 | D | 49.4 | Very low | 44.3 | Very low | 99 Ų | 99 | 56 Ų | 56 | 53% | 0.529 | 29% | 0.29 | S | S | . | . | trans | -73.1 | 95.1 | 165.9 | -172.2 | -9 | 0 | 0 | 0 | 108.4 | N979 L980 F981 | D977-N979 PolarHBondContact O-N 3.1Å; D977-N979 VanDerWaalsContact O-N 3.16Å; D977-N979 WeakPolarHBondContact OD1-CB 3.43Å; D977-N979 PolarHBondContact OD1-N 3.43Å; D977-L980 HydrophobicContact CB-CB 3.75Å; D977-L980 WeakPolarHBondContact O-CA 3.18Å; D977-L980 WeakPolarHBondContact O-CB 3.36Å; D977-L980 PolarHBondContact O-N 3.37Å; D977-L980 PolarHBondContact OD1-N 2.97Å; D977-F981 PolarHBondContact O-N 3.16Å | ||
| 978 | I | 47.9 | Very low | 44.2 | Very low | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.077 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.1 | -33.2 | -177.3 | -63.3 | 174.2 | 0 | 0 | 0 | 111 | M976 Y982 F989 F1033 L1037 V1040 | M976-I978 PolarHBondContact O-N 3.36Å; I978-Y982 WeakPolarHBondContact O-CB 3.42Å; I978-Y982 PolarHBondContact O-N 2.7Å; I978-F989 HydrophobicContact CG2-CE2 4.34Å; I978-F1033 HydrophobicContact CD1-CE2 3.53Å; I978-F1033 HydrophobicContact CD1-CZ 3.76Å; I978-L1037 HydrophobicContact CD1-CD2 3.95Å; I978-L1037 HydrophobicContact CD1-CG 4.29Å; I978-V1040 HydrophobicContact CG2-CG2 3.69Å |
| 979 | N | 45.1 | Very low | 44.1 | Very low | 74 Ų | 74 | 58.5 Ų | 58.5 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 176.4 | -68 | -53 | 0 | 0 | 0 | 111.2 | D977 K983 | D977-N979 PolarHBondContact O-N 3.1Å; D977-N979 VanDerWaalsContact O-N 3.16Å; D977-N979 WeakPolarHBondContact OD1-CB 3.43Å; D977-N979 PolarHBondContact OD1-N 3.43Å; N979-K983 WeakPolarHBondContact O-CB 3.23Å; N979-K983 PolarHBondContact O-N 2.78Å |
| 980 | L | 48 | Very low | 43.7 | Very low | 90 Ų | 90 | 65.2 Ų | 65.2 | 47% | 0.471 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 176.1 | -165.7 | 73.6 | 0 | 0 | 0 | 111.2 | D977 K983 N984 | D977-L980 HydrophobicContact CB-CB 3.75Å; D977-L980 WeakPolarHBondContact O-CA 3.18Å; D977-L980 WeakPolarHBondContact O-CB 3.36Å; D977-L980 PolarHBondContact O-N 3.37Å; D977-L980 PolarHBondContact OD1-N 2.97Å; L980-K983 PolarHBondContact O-N 3.15Å; L980-N984 VanDerWaalsContact O-CB 3.3Å; L980-N984 WeakPolarHBondContact O-CB 3.4Å; L980-N984 PolarHBondContact O-N 3.13Å |
| 981 | F | 47 | Very low | 43.3 | Very low | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 176.3 | -175.4 | -93.9 | 0 | 0 | 0 | 111.6 | F908 S909 F958 M976 D977 K983 N984 T985 F989 | F908-F981 AromaticContact CD1-CE2 3.75Å; F908-F981 HydrophobicContact CD1-CE2 3.75Å; F908-F981 AromaticContact CD1-CZ 3.86Å; F908-F981 HydrophobicContact CD1-CZ 3.86Å; F908-F981 HydrophobicContact CE1-CE2 4.41Å; F908-F981 HydrophobicContact CE1-CZ 4.12Å; S909-F981 VanDerWaalsContact OG-CD2 3.28Å; S909-F981 WeakPolarHBondContact OG-CD2 3.42Å; F958-F981 HydrophobicContact CZ-CZ 4.29Å; M976-F981 HydrophobicContact CE-CB 3.51Å; M976-F981 HydrophobicContact CE-CD1 3.59Å; M976-F981 HydrophobicContact CE-CD2 3.19Å; M976-F981 HydrophobicContact CE-CE1 4.03Å; M976-F981 HydrophobicContact CE-CE2 3.66Å; M976-F981 HydrophobicContact CE-CG 3.13Å; M976-F981 HydrophobicContact CE-CZ 4.05Å; D977-F981 PolarHBondContact O-N 3.16Å; F981-K983 PolarHBondContact O-N 3.04Å; F981-N984 PolarHBondContact O-N 3.09Å; F981-T985 HydrophobicContact CD1-CG2 4.3Å; F981-T985 HydrophobicContact CD2-CG2 4.03Å; F981-T985 HydrophobicContact CE1-CG2 4.16Å; F981-T985 HydrophobicContact CE2-CG2 3.9Å; F981-T985 HydrophobicContact CG-CG2 4.25Å; F981-T985 HydrophobicContact CZ-CG2 3.97Å; F981-T985 VanDerWaalsContact O-CB 3.3Å; F981-T985 WeakPolarHBondContact O-CB 3.36Å; F981-T985 VanDerWaalsContact O-CG2 3.28Å; F981-T985 WeakPolarHBondContact O-CG2 3.29Å; F981-T985 PolarHBondContact O-N 3.33Å; F981-T985 PolarHBondContact O-OG1 3.25Å; F981-F989 HydrophobicContact CD1-CE1 4.46Å; F981-F989 AromaticContact CD1-CE2 3.66Å; F981-F989 HydrophobicContact CD1-CE2 3.66Å; F981-F989 AromaticContact CD1-CZ 3.42Å; F981-F989 HydrophobicContact CD1-CZ 3.42Å; F981-F989 VanDerWaalsContact CD1-CZ 3.42Å; F981-F989 HydrophobicContact CE1-CE1 4.11Å; F981-F989 AromaticContact CE1-CE2 3.95Å; F981-F989 HydrophobicContact CE1-CE2 3.95Å; F981-F989 AromaticContact CE1-CZ 3.47Å; F981-F989 HydrophobicContact CE1-CZ 3.47Å; F981-F989 VanDerWaalsContact CE1-CZ 3.47Å; F981-F989 HydrophobicContact CG-CZ 4.42Å; F981-F989 HydrophobicContact CZ-CZ 4.5Å |
| 982 | Y | 49.9 | Very low | 43 | Very low | 103 Ų | 103 | 67.5 Ų | 67.5 | 40% | 0.404 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 177.5 | -179.3 | -104.7 | 0 | 0 | 0 | 111.8 | I978 N984 G986 I987 | I978-Y982 WeakPolarHBondContact O-CB 3.42Å; I978-Y982 PolarHBondContact O-N 2.7Å; Y982-N984 VanDerWaalsContact C-N 3.34Å; Y982-N984 PolarHBondContact O-N 2.93Å; Y982-G986 WeakPolarHBondContact O-CA 3.49Å; Y982-G986 PolarHBondContact O-N 3.25Å; Y982-I987 WeakPolarHBondContact CD2-O 3.28Å |
| 983 | K | 48.7 | Very low | 42.5 | Very low | 171 Ų | 171 | 68.9 Ų | 68.9 | 74% | 0.743 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.1 | -38.3 | 178.7 | -171.1 | -179.4 | 179.9 | -171.9 | 0 | 112.4 | N979 L980 F981 | N979-K983 WeakPolarHBondContact O-CB 3.23Å; N979-K983 PolarHBondContact O-N 2.78Å; L980-K983 PolarHBondContact O-N 3.15Å; F981-K983 PolarHBondContact O-N 3.04Å |
| 984 | N | 40.5 | Very low | 42.2 | Very low | 49 Ų | 49 | 68.5 Ų | 68.5 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -84 | -32.9 | -176.8 | -69.1 | -7.2 | 0 | 0 | 0 | 113 | N916 L980 F981 Y982 | N916-N984 PolarHBondContact ND2-O 2.96Å; L980-N984 VanDerWaalsContact O-CB 3.3Å; L980-N984 WeakPolarHBondContact O-CB 3.4Å; L980-N984 PolarHBondContact O-N 3.13Å; F981-N984 PolarHBondContact O-N 3.09Å; Y982-N984 VanDerWaalsContact C-N 3.34Å; Y982-N984 PolarHBondContact O-N 2.93Å |
| 985 | T | 45 | Very low | 41.6 | Very low | 7 Ų | 7 | 66.3 Ų | 66.3 | 4% | 0.043 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -96.7 | -26.5 | -174.1 | 65.2 | 0 | 0 | 0 | 0 | 113.5 | F908 M912 F981 I987 | F908-T985 HydrophobicContact CD1-CG2 3.88Å; F908-T985 HydrophobicContact CE1-CG2 3.68Å; M912-T985 HydrophobicContact CB-CG2 4.15Å; M912-T985 HydrophobicContact CG-CG2 4.41Å; F981-T985 HydrophobicContact CD1-CG2 4.3Å; F981-T985 HydrophobicContact CD2-CG2 4.03Å; F981-T985 HydrophobicContact CE1-CG2 4.16Å; F981-T985 HydrophobicContact CE2-CG2 3.9Å; F981-T985 HydrophobicContact CG-CG2 4.25Å; F981-T985 HydrophobicContact CZ-CG2 3.97Å; F981-T985 VanDerWaalsContact O-CB 3.3Å; F981-T985 WeakPolarHBondContact O-CB 3.36Å; F981-T985 VanDerWaalsContact O-CG2 3.28Å; F981-T985 WeakPolarHBondContact O-CG2 3.29Å; F981-T985 PolarHBondContact O-N 3.33Å; F981-T985 PolarHBondContact O-OG1 3.25Å; T985-I987 WeakPolarHBondContact O-CG1 3.06Å; T985-I987 PolarHBondContact O-N 3.4Å; T985-I987 VanDerWaalsContact O-N 3.13Å; T985-I987 PolarHBondContact OG1-N 3.47Å |
| 986 | G | 45.9 | Very low | 41.4 | Very low | 52 Ų | 52 | 63.9 Ų | 63.9 | 54% | 0.536 | 35% | 0.346 | S | S | . | . | trans | 65.1 | 4.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114 | Y982 | Y982-G986 WeakPolarHBondContact O-CA 3.49Å; Y982-G986 PolarHBondContact O-N 3.25Å | ||
| 987 | I | 43.4 | Very low | 40.6 | Very low | 24 Ų | 24 | 67.7 Ų | 67.7 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | trans | -83.5 | 122.5 | -172.4 | -62 | 176.3 | 0 | 0 | 0 | 109.8 | F908 F958 Y982 T985 F989 | F908-I987 HydrophobicContact CE1-CD1 3.56Å; F908-I987 HydrophobicContact CZ-CD1 3.57Å; F958-I987 HydrophobicContact CD2-CD1 4.36Å; F958-I987 HydrophobicContact CE1-CG2 4.49Å; F958-I987 HydrophobicContact CE2-CD1 3.35Å; F958-I987 HydrophobicContact CZ-CD1 3.57Å; F958-I987 HydrophobicContact CZ-CG2 4.21Å; Y982-I987 WeakPolarHBondContact CD2-O 3.28Å; T985-I987 WeakPolarHBondContact O-CG1 3.06Å; T985-I987 PolarHBondContact O-N 3.4Å; T985-I987 VanDerWaalsContact O-N 3.13Å; T985-I987 PolarHBondContact OG1-N 3.47Å; I987-F989 PolarHBondContact O-N 3.3Å | ||
| 988 | Q | 40.7 | Very low | 39.6 | Very low | 118 Ų | 118 | 69.5 Ų | 69.5 | 55% | 0.551 | 38% | 0.383 | S | S | * | . | trans | -73.5 | 115.9 | 167.8 | -68.4 | -178.8 | -7.3 | 0 | 0 | 109 | K990 | Q988-K990 PolarHBondContact O-N 2.86Š| ||
| 989 | F | 39.5 | Very low | 38.6 | Very low | 34 Ų | 34 | 74.5 Ų | 74.5 | 15% | 0.149 | 41% | 0.414 | C | S | . | . | trans | -59.1 | 98 | 169.7 | -73.9 | -88.4 | 0 | 0 | 0 | 109.4 | M976 I978 F981 I987 I992 V1040 L1044 | M976-F989 HydrophobicContact CE-CZ 4.03Å; I978-F989 HydrophobicContact CG2-CE2 4.34Å; F981-F989 HydrophobicContact CD1-CE1 4.46Å; F981-F989 AromaticContact CD1-CE2 3.66Å; F981-F989 HydrophobicContact CD1-CE2 3.66Å; F981-F989 AromaticContact CD1-CZ 3.42Å; F981-F989 HydrophobicContact CD1-CZ 3.42Å; F981-F989 VanDerWaalsContact CD1-CZ 3.42Å; F981-F989 HydrophobicContact CE1-CE1 4.11Å; F981-F989 AromaticContact CE1-CE2 3.95Å; F981-F989 HydrophobicContact CE1-CE2 3.95Å; F981-F989 AromaticContact CE1-CZ 3.47Å; F981-F989 HydrophobicContact CE1-CZ 3.47Å; F981-F989 VanDerWaalsContact CE1-CZ 3.47Å; F981-F989 HydrophobicContact CG-CZ 4.42Å; F981-F989 HydrophobicContact CZ-CZ 4.5Å; I987-F989 PolarHBondContact O-N 3.3Å; F989-I992 HydrophobicContact CD1-CD1 3.94Å; F989-I992 HydrophobicContact CD1-CG1 4.47Å; F989-I992 HydrophobicContact CE1-CD1 4.46Å; F989-V1040 HydrophobicContact CD2-CG1 4.17Å; F989-L1044 HydrophobicContact CB-CD1 3.57Å; F989-L1044 WeakPolarHBondContact O-CD1 3.36Å | ||
| 990 | K | 33.5 | Very low | 37.7 | Very low | 157 Ų | 157 | 74.6 Ų | 74.6 | 68% | 0.683 | 43% | 0.433 | S | S | * | . | trans | -110.3 | 2.7 | -173.7 | -115.8 | -179.3 | -178.3 | 178.1 | 0 | 115.3 | Q988 | Q988-K990 PolarHBondContact O-N 2.86Š| ||
| 991 | A | 31.8 | Very low | 36.6 | Very low | 83 Ų | 83 | 79.2 Ų | 79.2 | 69% | 0.686 | 45% | 0.452 | S | S | * | . | trans | -159.3 | 53.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S993 | A991-S993 PolarHBondContact O-N 3.36Š| ||
| 992 | I | 35.3 | Very low | 35.7 | Very low | 35 Ų | 35 | 84.9 Ų | 84.9 | 18% | 0.179 | 49% | 0.488 | C | S | . | . | trans | -85.9 | 98 | 164.5 | -56.8 | 175.8 | 0 | 0 | 0 | 107.5 | I964 F989 V994 | I964-I992 HydrophobicContact CD1-CD1 4.45Å; I964-I992 HydrophobicContact CD1-CG2 4.09Å; F989-I992 HydrophobicContact CD1-CD1 3.94Å; F989-I992 HydrophobicContact CD1-CG1 4.47Å; F989-I992 HydrophobicContact CE1-CD1 4.46Å; I992-V994 HydrophobicContact CG2-CG2 4.13Å; I992-V994 PolarHBondContact O-N 3.12Å; I992-V994 VanDerWaalsContact O-N 3.15Å | ||
| 993 | S | 32.7 | Very low | 34.5 | Very low | 50 Ų | 50 | 87.7 Ų | 87.7 | 35% | 0.35 | 50% | 0.504 | S | S | . | . | trans | -71.8 | 99.5 | 165.1 | 50.9 | 0 | 0 | 0 | 0 | 108.3 | A991 V995 | A991-S993 PolarHBondContact O-N 3.36Å; S993-V995 PolarHBondContact O-N 3.32Å; S993-V995 VanDerWaalsContact O-N 3.08Å | ||
| 994 | V | 36.4 | Very low | 33.4 | Very low | 42 Ų | 42 | 86.9 Ų | 86.9 | 26% | 0.255 | 51% | 0.508 | S | S | . | . | trans | -71.3 | 101 | 169 | -179.9 | 0 | 0 | 0 | 0 | 106.4 | I992 P996 | I992-V994 HydrophobicContact CG2-CG2 4.13Å; I992-V994 PolarHBondContact O-N 3.12Å; I992-V994 VanDerWaalsContact O-N 3.15Å; V994-P996 VanDerWaalsContact O-CD 3.26Å; V994-P996 WeakPolarHBondContact O-CD 3.48Å | ||
| 995 | V | 31.7 | Very low | 32.8 | Very low | 79 Ų | 79 | 89 Ų | 89 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | trans | -85.4 | 113.6 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | S993 S997 | S993-V995 PolarHBondContact O-N 3.32Å; S993-V995 VanDerWaalsContact O-N 3.08Å; V995-S997 PolarHBondContact O-N 3.14Å | ||
| 996 | P | 32.4 | Very low | 31.8 | Very low | 33 Ų | 33 | 95.7 Ų | 95.7 | 21% | 0.214 | 56% | 0.561 | C | S | . | * | trans | -60 | 129.2 | 163.3 | -21.5 | 37.1 | 0 | 0 | 0 | 108.7 | V994 L998 K1055 | V994-P996 VanDerWaalsContact O-CD 3.26Å; V994-P996 WeakPolarHBondContact O-CD 3.48Å; P996-L998 VanDerWaalsContact C-N 3.31Å; P996-L998 PolarHBondContact O-N 3.23Å; P996-K1055 HydrophobicContact CB-CD 3.98Å; P996-K1055 HydrophobicContact CB-CG 3.69Å; P996-K1055 HydrophobicContact CG-CD 3.94Å; P996-K1055 VanDerWaalsContact CG-CE 3.49Å; P996-K1055 HydrophobicContact CG-CG 3.48Å; P996-K1055 VanDerWaalsContact CG-CG 3.48Å | ||
| 997 | S | 28.8 | Very low | 30.9 | Very low | 100 Ų | 100 | 98 Ų | 98 | 70% | 0.699 | 57% | 0.569 | S | S | * | * | trans | -60.1 | 93.8 | 167.2 | 52.9 | 0 | 0 | 0 | 0 | 110 | V995 | V995-S997 PolarHBondContact O-N 3.14Š| ||
| 998 | L | 27.7 | Very low | 30.1 | Very low | 138 Ų | 138 | 104.4 Ų | 104.4 | 72% | 0.723 | 60% | 0.603 | S | S | * | * | trans | -91.1 | 116.7 | 166.7 | -98.6 | 134.7 | 0 | 0 | 0 | 107.1 | P996 | P996-L998 VanDerWaalsContact C-N 3.31Å; P996-L998 PolarHBondContact O-N 3.23Å | ||
| 999 | T | 27 | Very low | 29.3 | Very low | 119 Ų | 119 | 106.9 Ų | 106.9 | 73% | 0.73 | 62% | 0.619 | S | S | * | * | trans | 49.9 | 117.3 | 143.8 | 54.8 | 0 | 0 | 0 | 0 | 118.5 | Q1001 | T999-Q1001 PolarHBondContact O-N 3Š| ||
| 1000 | G | 26.2 | Very low | 28.7 | Very low | 77 Ų | 77 | 110.8 Ų | 110.8 | 79% | 0.794 | 65% | 0.648 | S | S | * | * | trans | 20.1 | 96 | 138 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1001 | Q | 25.3 | Very low | 28.4 | Very low | 186 Ų | 186 | 107.8 Ų | 107.8 | 87% | 0.869 | 65% | 0.647 | S | S | * | * | trans | -87.1 | 101.8 | 130.7 | -75.7 | -171.9 | -18.6 | 0 | 0 | 106.1 | T999 E1003 | T999-Q1001 PolarHBondContact O-N 3Å; Q1001-E1003 PolarHBondContact O-N 3.26Å | ||
| 1002 | T | 26.5 | Very low | 28.1 | Very low | 125 Ų | 125 | 111.4 Ų | 111.4 | 77% | 0.767 | 66% | 0.655 | S | S | * | * | trans | 17.5 | 95.9 | 146.9 | 48.4 | 0 | 0 | 0 | 0 | 115.2 | D1004 | T1002-D1004 PolarHBondContact O-N 2.81Å; T1002-D1004 VanDerWaalsContact O-N 3.15Å | ||
| 1003 | E | 26.6 | Very low | 27.7 | Very low | 162 Ų | 162 | 114.2 Ų | 114.2 | 76% | 0.757 | 68% | 0.683 | S | S | * | * | trans | -48.1 | 109.9 | 138.8 | -71.2 | 177.4 | 171.2 | 0 | 0 | 108.5 | Q1001 C1005 | Q1001-E1003 PolarHBondContact O-N 3.26Å; E1003-C1005 HydrophobicContact CB-CB 3.91Å; E1003-C1005 PolarHBondContact O-N 3.25Å | ||
| 1004 | D | 25.1 | Very low | 27.4 | Very low | 154 Ų | 154 | 121.4 Ų | 121.4 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | trans | -70.4 | 62.6 | 148.6 | -89.7 | -29 | 0 | 0 | 0 | 107.8 | T1002 N1006 | T1002-D1004 PolarHBondContact O-N 2.81Å; T1002-D1004 VanDerWaalsContact O-N 3.15Å; D1004-N1006 PolarHBondContact O-N 2.86Å | ||
| 1005 | C | 26.6 | Very low | 26.9 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 63% | 0.628 | 74% | 0.737 | S | S | * | * | trans | -95.4 | 53.3 | 165.6 | -76 | 0 | 0 | 0 | 0 | 108.3 | E1003 | E1003-C1005 HydrophobicContact CB-CB 3.91Å; E1003-C1005 PolarHBondContact O-N 3.25Å | ||
| 1006 | N | 25.3 | Very low | 26.6 | Very low | 148 Ų | 148 | 126 Ų | 126 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | -114.3 | 57.9 | 173 | -84.2 | -27.1 | 0 | 0 | 0 | 110.3 | D1004 | D1004-N1006 PolarHBondContact O-N 2.86Š| ||
| 1007 | S | 26.1 | Very low | 26.2 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -163.7 | 127.8 | 154.6 | 56.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1008 | L | 26 | Very low | 26 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | 96.8 | 56.9 | 171.8 | -52.6 | 159.5 | 0 | 0 | 0 | 116.1 | ||||
| 1009 | L | 25.3 | Very low | 25.9 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 119.6 | 145.6 | -99.4 | 149.9 | 0 | 0 | 0 | 108.3 | ||
| 1010 | P | 27.2 | Very low | 25.9 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 116.8 | 151.4 | 5.4 | 13.4 | 0 | 0 | 0 | 108.2 | ||
| 1011 | S | 25.8 | Very low | 25.9 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 145.1 | 173.9 | 50.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1012 | N | 25.3 | Very low | 26 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | 91.6 | 75.4 | 159.9 | -50.7 | -20.2 | 0 | 0 | 0 | 117 | ||||
| 1013 | A | 27.5 | Very low | 26.2 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -147.1 | 132.1 | 143.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | I1015 | A1013-I1015 PolarHBondContact O-N 3.27Š|
| 1014 | E | 26.4 | Very low | 26.7 | Very low | 200 Ų | 200 | 135.1 Ų | 135.1 | 94% | 0.935 | 75% | 0.752 | S | S | * | * | trans | -50.5 | 124.1 | -171.9 | -67.7 | 168.8 | 150.2 | 0 | 0 | 112.7 | G1016 | E1014-G1016 PolarHBondContact O-N 3.02Å; E1014-G1016 VanDerWaalsContact O-N 3.07Å | ||
| 1015 | I | 26.7 | Very low | 27.6 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | trans | -70.1 | 98.9 | 172.5 | -63.9 | 165.7 | 0 | 0 | 0 | 107 | A1013 | A1013-I1015 PolarHBondContact O-N 3.27Š| ||
| 1016 | G | 24.8 | Very low | 28.8 | Very low | 61 Ų | 61 | 128.2 Ų | 128.2 | 63% | 0.629 | 71% | 0.71 | S | S | * | * | trans | -76.3 | 120.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | E1014 N1018 | E1014-G1016 PolarHBondContact O-N 3.02Å; E1014-G1016 VanDerWaalsContact O-N 3.07Å; G1016-N1018 PolarHBondContact O-N 3.32Å | ||
| 1017 | D | 23.8 | Very low | 30.1 | Very low | 134 Ų | 134 | 123 Ų | 123 | 72% | 0.717 | 69% | 0.686 | S | S | * | * | trans | -53.8 | 87.6 | 177 | -70.1 | -43.6 | 0 | 0 | 0 | 112.8 | ||||
| 1018 | N | 25.4 | Very low | 31.5 | Very low | 154 Ų | 154 | 119.5 Ų | 119.5 | 82% | 0.824 | 66% | 0.661 | S | S | * | * | trans | -106.4 | 75.3 | 163.4 | -86 | -20.2 | 0 | 0 | 0 | 109.8 | G1016 I1020 | G1016-N1018 PolarHBondContact O-N 3.32Å; N1018-I1020 PolarHBondContact O-N 3.16Å; N1018-I1020 VanDerWaalsContact O-N 3.16Å | ||
| 1019 | H | 24.4 | Very low | 32.8 | Very low | 155 Ų | 155 | 120.4 Ų | 120.4 | 72% | 0.718 | 65% | 0.653 | S | S | * | * | trans | -59 | 103.3 | 159 | -79.7 | -71.6 | 0 | 0 | 0 | 110.6 | ||||
| 1020 | I | 28.4 | Very low | 34.2 | Very low | 144 Ų | 144 | 112.6 Ų | 112.6 | 74% | 0.738 | 61% | 0.612 | S | S | * | * | trans | -110.6 | 89.2 | 156.7 | -58 | -180 | 0 | 0 | 0 | 108.8 | N1018 N1022 | N1018-I1020 PolarHBondContact O-N 3.16Å; N1018-I1020 VanDerWaalsContact O-N 3.16Å; I1020-N1022 PolarHBondContact O-N 3.4Å | ||
| 1021 | N | 25.5 | Very low | 35.9 | Very low | 119 Ų | 119 | 107.6 Ų | 107.6 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | trans | -53.9 | 97.3 | 162.2 | -74.7 | -48.2 | 0 | 0 | 0 | 110.3 | K1023 | N1021-K1023 PolarHBondContact O-N 2.9Š| ||
| 1022 | N | 27.1 | Very low | 37.7 | Very low | 155 Ų | 155 | 104.5 Ų | 104.5 | 83% | 0.829 | 55% | 0.553 | S | S | * | * | trans | -72.7 | 83.2 | 165.3 | -88.5 | -10.2 | 0 | 0 | 0 | 109.6 | I1020 M1024 | I1020-N1022 PolarHBondContact O-N 3.4Å; N1022-M1024 PolarHBondContact O-N 3.39Å | ||
| 1023 | K | 30.7 | Very low | 39.3 | Very low | 144 Ų | 144 | 97 Ų | 97 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | trans | -58.8 | 110.3 | 170.5 | -78.3 | 166.3 | 171.6 | 150.7 | 0 | 110 | N1021 V1025 | N1021-K1023 PolarHBondContact O-N 2.9Å; K1023-V1025 HydrophobicContact CB-CG2 4.4Å; K1023-V1025 PolarHBondContact O-N 3.36Å | ||
| 1024 | M | 37.6 | Very low | 40.9 | Very low | 126 Ų | 126 | 93.5 Ų | 93.5 | 62% | 0.621 | 48% | 0.481 | S | S | * | . | trans | -76.9 | 99.8 | 174.6 | -157.8 | 169.5 | 161.8 | 0 | 0 | 109.1 | E966 N1022 | E966-M1024 WeakPolarHBondContact OE2-CE 3.48Å; N1022-M1024 PolarHBondContact O-N 3.39Å | ||
| 1025 | V | 44.9 | Very low | 42.7 | Very low | 63 Ų | 63 | 84.2 Ų | 84.2 | 38% | 0.382 | 44% | 0.438 | S | S | . | . | trans | -106.5 | 119.4 | -179.8 | 176.2 | 0 | 0 | 0 | 0 | 108.7 | K1023 S1027 K1069 | K1023-V1025 HydrophobicContact CB-CG2 4.4Å; K1023-V1025 PolarHBondContact O-N 3.36Å; V1025-S1027 PolarHBondContact O-N 2.91Å; V1025-K1069 HydrophobicContact CG2-CB 4.42Å | ||
| 1026 | I | 51.8 | Low | 44.4 | Very low | 39 Ų | 39 | 77.8 Ų | 77.8 | 20% | 0.2 | 40% | 0.404 | C | S | . | . | trans | -62.3 | 119.7 | 173.4 | -65.8 | 175.7 | 0 | 0 | 0 | 108.5 | L1030 L1031 I1070 | I1026-L1030 HydrophobicContact CG2-CB 4.32Å; I1026-L1030 HydrophobicContact CG2-CD2 4.12Å; I1026-L1031 HydrophobicContact CG2-CB 4.42Å; I1026-L1031 HydrophobicContact CG2-CD1 3.64Å; I1026-L1031 HydrophobicContact CG2-CG 3.71Å; I1026-I1070 HydrophobicContact CD1-CD1 4.09Å; I1026-I1070 HydrophobicContact CD1-CG1 4.21Å | ||
| 1027 | S | 51.8 | Low | 46.1 | Very low | 40 Ų | 40 | 75.3 Ų | 75.3 | 28% | 0.28 | 38% | 0.376 | S | S | . | . | trans | -70.3 | 149.9 | 179.3 | 84.2 | 0 | 0 | 0 | 0 | 111 | V1025 R1029 L1030 L1031 | V1025-S1027 PolarHBondContact O-N 2.91Å; S1027-R1029 PolarHBondContact O-N 3.49Å; S1027-R1029 PolarHBondContact OG-N 2.93Å; S1027-L1030 PolarHBondContact O-N 3.03Å; S1027-L1030 VanDerWaalsContact O-N 3.11Å; S1027-L1030 PolarHBondContact OG-N 2.9Å; S1027-L1031 PolarHBondContact O-N 3.1Å; S1027-L1031 VanDerWaalsContact O-N 3.11Å | ||
| 1028 | P | 54.4 | Low | 47.7 | Very low | 27 Ų | 27 | 69.2 Ų | 69.2 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -55.1 | -32.2 | 172.4 | -24.7 | 32.4 | 0 | 0 | 0 | 113.3 | Y1032 H1074 I1077 | P1028-Y1032 VanDerWaalsContact O-CB 3.23Å; P1028-Y1032 WeakPolarHBondContact O-CB 3.15Å; P1028-Y1032 PolarHBondContact O-N 2.98Å; P1028-H1074 HydrophobicContact CG-CB 3.85Å; P1028-H1074 WeakPolarHBondContact CG-CD2 3.35Å; P1028-I1077 HydrophobicContact CB-CB 4.15Å; P1028-I1077 HydrophobicContact CB-CG2 3.73Å; P1028-I1077 HydrophobicContact CG-CG2 4.37Å |
| 1029 | R | 53.7 | Low | 49.3 | Very low | 176 Ų | 176 | 63 Ų | 63 | 66% | 0.664 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.4 | -45.4 | 176.6 | -78.9 | -176.6 | 176.3 | 162.9 | -2.3 | 111.3 | S1027 L1031 Y1032 F1033 | S1027-R1029 PolarHBondContact O-N 3.49Å; S1027-R1029 PolarHBondContact OG-N 2.93Å; R1029-L1031 VanDerWaalsContact C-N 3.34Å; R1029-L1031 PolarHBondContact O-N 3.48Å; R1029-Y1032 WeakPolarHBondContact O-CB 3.34Å; R1029-Y1032 PolarHBondContact O-N 3.4Å; R1029-F1033 WeakPolarHBondContact O-CB 3.18Å; R1029-F1033 PolarHBondContact O-N 2.9Å |
| 1030 | L | 55.7 | Low | 50.8 | Low | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -43.1 | 177.1 | -171.2 | 68.3 | 0 | 0 | 0 | 111.3 | E966 M969 N970 I1026 S1027 F1033 I1034 | E966-L1030 HydrophobicContact CG-CD1 4.47Å; E966-L1030 HydrophobicContact CG-CD2 3.33Å; M969-L1030 HydrophobicContact CB-CD1 3.79Å; N970-L1030 WeakPolarHBondContact OD1-CB 3.43Å; N970-L1030 WeakPolarHBondContact OD1-CD1 3Å; I1026-L1030 HydrophobicContact CG2-CB 4.32Å; I1026-L1030 HydrophobicContact CG2-CD2 4.12Å; S1027-L1030 PolarHBondContact O-N 3.03Å; S1027-L1030 VanDerWaalsContact O-N 3.11Å; S1027-L1030 PolarHBondContact OG-N 2.9Å; L1030-F1033 PolarHBondContact O-N 2.95Å; L1030-I1034 HydrophobicContact CG-CD1 4.15Å; L1030-I1034 WeakPolarHBondContact O-CB 3.43Å; L1030-I1034 WeakPolarHBondContact O-CD1 3.47Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.18Å; L1030-I1034 PolarHBondContact O-N 3.23Å |
| 1031 | L | 61.9 | Low | 52.1 | Low | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 174.7 | -102.3 | 154 | 0 | 0 | 0 | 112.4 | I1026 S1027 R1029 I1034 F1035 I1070 L1075 A1078 | I1026-L1031 HydrophobicContact CG2-CB 4.42Å; I1026-L1031 HydrophobicContact CG2-CD1 3.64Å; I1026-L1031 HydrophobicContact CG2-CG 3.71Å; S1027-L1031 PolarHBondContact O-N 3.1Å; S1027-L1031 VanDerWaalsContact O-N 3.11Å; R1029-L1031 VanDerWaalsContact C-N 3.34Å; R1029-L1031 PolarHBondContact O-N 3.48Å; L1031-I1034 WeakPolarHBondContact O-CB 3.04Å; L1031-I1034 PolarHBondContact O-N 3.16Å; L1031-F1035 HydrophobicContact CD2-CE1 4.27Å; L1031-F1035 HydrophobicContact CD2-CE2 4.34Å; L1031-F1035 HydrophobicContact CD2-CZ 3.83Å; L1031-F1035 WeakPolarHBondContact O-CD2 3.49Å; L1031-F1035 VanDerWaalsContact O-CG 3.28Å; L1031-F1035 WeakPolarHBondContact O-CG 3.4Å; L1031-F1035 PolarHBondContact O-N 3.19Å; L1031-I1070 HydrophobicContact CD1-CG2 4Å; L1031-L1075 HydrophobicContact CD2-CD1 4Å; L1031-A1078 HydrophobicContact CB-CB 3.52Å |
| 1032 | Y | 63.4 | Low | 53.4 | Low | 28 Ų | 28 | 49.4 Ų | 49.4 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 174.5 | 163.6 | -92.1 | 0 | 0 | 0 | 111.9 | E973 P1028 R1029 I1034 F1035 E1036 L1081 F1082 K1085 | E973-Y1032 WeakPolarHBondContact OE1-CD1 3.46Å; E973-Y1032 WeakPolarHBondContact OE1-CE1 3.37Å; P1028-Y1032 VanDerWaalsContact O-CB 3.23Å; P1028-Y1032 WeakPolarHBondContact O-CB 3.15Å; P1028-Y1032 PolarHBondContact O-N 2.98Å; R1029-Y1032 WeakPolarHBondContact O-CB 3.34Å; R1029-Y1032 PolarHBondContact O-N 3.4Å; Y1032-I1034 VanDerWaalsContact C-N 3.33Å; Y1032-I1034 PolarHBondContact O-N 3.47Å; Y1032-F1035 CarbonylContact O-C 3.58Å; Y1032-F1035 WeakPolarHBondContact O-CA 3.23Å; Y1032-F1035 WeakPolarHBondContact O-CB 3.43Å; Y1032-F1035 PolarHBondContact O-N 3Å; Y1032-F1035 VanDerWaalsContact O-N 3.11Å; Y1032-E1036 WeakPolarHBondContact CE1-OE2 3.37Å; Y1032-E1036 PolarHBondContact O-N 2.85Å; Y1032-E1036 PolarHBondContact OH-OE2 2.94Å; Y1032-L1081 HydrophobicContact CD2-CB 3.46Å; Y1032-L1081 VanDerWaalsContact CD2-CB 3.46Å; Y1032-L1081 HydrophobicContact CE2-CB 3.94Å; Y1032-L1081 HydrophobicContact CG-CB 4.15Å; Y1032-F1082 HydrophobicContact CD2-CB 4.06Å; Y1032-F1082 HydrophobicContact CE2-CB 4.38Å; Y1032-K1085 WeakPolarHBondContact OH-CD 3.41Å; Y1032-K1085 PolarHBondContact OH-NZ 3.37Å |
| 1033 | F | 60 | Low | 54.7 | Low | 3 Ų | 3 | 45.4 Ų | 45.4 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.2 | -38.8 | 176.3 | -175.9 | -116.3 | 0 | 0 | 0 | 112 | M969 L972 E973 I978 R1029 L1030 F1035 E1036 L1037 | M969-F1033 HydrophobicContact CB-CD1 4.5Å; M969-F1033 HydrophobicContact CB-CE1 4.39Å; M969-F1033 HydrophobicContact CE-CD1 4.02Å; M969-F1033 HydrophobicContact CE-CE1 3.64Å; M969-F1033 HydrophobicContact SD-CE1 3.98Å; L972-F1033 HydrophobicContact CB-CZ 4.25Å; E973-F1033 HydrophobicContact CB-CD2 3.51Å; E973-F1033 HydrophobicContact CB-CE2 3.63Å; E973-F1033 HydrophobicContact CB-CG 4.14Å; E973-F1033 HydrophobicContact CB-CZ 4.34Å; E973-F1033 HydrophobicContact CG-CD2 3.5Å; E973-F1033 VanDerWaalsContact CG-CD2 3.5Å; E973-F1033 HydrophobicContact CG-CE2 3.92Å; E973-F1033 HydrophobicContact CG-CG 4.32Å; I978-F1033 HydrophobicContact CD1-CE2 3.53Å; I978-F1033 HydrophobicContact CD1-CZ 3.76Å; R1029-F1033 WeakPolarHBondContact O-CB 3.18Å; R1029-F1033 PolarHBondContact O-N 2.9Å; L1030-F1033 PolarHBondContact O-N 2.95Å; F1033-F1035 VanDerWaalsContact C-N 3.32Å; F1033-F1035 PolarHBondContact O-N 3.45Å; F1033-E1036 CarbonylContact O-C 3.52Å; F1033-E1036 WeakPolarHBondContact O-CB 3.39Å; F1033-E1036 PolarHBondContact O-N 2.98Å; F1033-E1036 VanDerWaalsContact O-N 3.15Å; F1033-L1037 HydrophobicContact CD1-CD1 3.62Å; F1033-L1037 HydrophobicContact CD1-CG 4.44Å; F1033-L1037 HydrophobicContact CE1-CD1 3.3Å; F1033-L1037 HydrophobicContact CE1-CG 4.1Å; F1033-L1037 HydrophobicContact CG-CD1 4.38Å; F1033-L1037 HydrophobicContact CZ-CD1 3.82Å; F1033-L1037 HydrophobicContact CZ-CG 4.15Å; F1033-L1037 WeakPolarHBondContact O-CB 3.43Å; F1033-L1037 PolarHBondContact O-N 3.42Å |
| 1034 | I | 61.5 | Low | 55.6 | Low | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.108 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.3 | -43.5 | 171.3 | -77.8 | 164.9 | 0 | 0 | 0 | 110.7 | L1030 L1031 Y1032 E1036 L1037 A1038 V1048 I1052 | L1030-I1034 HydrophobicContact CG-CD1 4.15Å; L1030-I1034 WeakPolarHBondContact O-CB 3.43Å; L1030-I1034 WeakPolarHBondContact O-CD1 3.47Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.18Å; L1030-I1034 PolarHBondContact O-N 3.23Å; L1031-I1034 WeakPolarHBondContact O-CB 3.04Å; L1031-I1034 PolarHBondContact O-N 3.16Å; Y1032-I1034 VanDerWaalsContact C-N 3.33Å; Y1032-I1034 PolarHBondContact O-N 3.47Å; I1034-E1036 VanDerWaalsContact C-N 3.33Å; I1034-L1037 PolarHBondContact O-N 2.78Å; I1034-A1038 WeakPolarHBondContact O-CB 3.2Å; I1034-A1038 PolarHBondContact O-N 3.48Å; I1034-V1048 HydrophobicContact CB-CG1 4.47Å; I1034-V1048 HydrophobicContact CG1-CG1 4.27Å; I1034-V1048 HydrophobicContact CG2-CG1 3.66Å; I1034-I1052 HydrophobicContact CD1-CD1 4.26Å; I1034-I1052 HydrophobicContact CG2-CD1 3.79Å |
| 1035 | F | 63.8 | Low | 56.5 | Low | 5 Ų | 5 | 33.1 Ų | 33.1 | 2% | 0.022 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.8 | -37.9 | 174 | -62 | -31 | 0 | 0 | 0 | 111.6 | L1031 Y1032 F1033 A1038 T1039 A1078 I1079 F1082 L1101 L1105 | L1031-F1035 HydrophobicContact CD2-CE1 4.27Å; L1031-F1035 HydrophobicContact CD2-CE2 4.34Å; L1031-F1035 HydrophobicContact CD2-CZ 3.83Å; L1031-F1035 WeakPolarHBondContact O-CD2 3.49Å; L1031-F1035 VanDerWaalsContact O-CG 3.28Å; L1031-F1035 WeakPolarHBondContact O-CG 3.4Å; L1031-F1035 PolarHBondContact O-N 3.19Å; Y1032-F1035 CarbonylContact O-C 3.58Å; Y1032-F1035 WeakPolarHBondContact O-CA 3.23Å; Y1032-F1035 WeakPolarHBondContact O-CB 3.43Å; Y1032-F1035 PolarHBondContact O-N 3Å; Y1032-F1035 VanDerWaalsContact O-N 3.11Å; F1033-F1035 VanDerWaalsContact C-N 3.32Å; F1033-F1035 PolarHBondContact O-N 3.45Å; F1035-A1038 WeakPolarHBondContact O-CB 3.36Å; F1035-A1038 PolarHBondContact O-N 3.41Å; F1035-T1039 WeakPolarHBondContact O-CG2 3.47Å; F1035-T1039 PolarHBondContact O-N 3.32Å; F1035-A1078 HydrophobicContact CD2-CB 4.09Å; F1035-A1078 HydrophobicContact CE2-CB 3.67Å; F1035-I1079 HydrophobicContact CE2-CG1 3.68Å; F1035-I1079 HydrophobicContact CZ-CG1 4.07Å; F1035-F1082 HydrophobicContact CB-CB 4.24Å; F1035-F1082 HydrophobicContact CB-CD1 4.03Å; F1035-F1082 HydrophobicContact CB-CD2 3.53Å; F1035-F1082 HydrophobicContact CB-CE1 4.17Å; F1035-F1082 HydrophobicContact CB-CE2 3.73Å; F1035-F1082 HydrophobicContact CB-CG 3.68Å; F1035-F1082 HydrophobicContact CB-CZ 4.02Å; F1035-F1082 HydrophobicContact CD2-CB 4.16Å; F1035-F1082 HydrophobicContact CD2-CG 4.37Å; F1035-F1082 HydrophobicContact CG-CG 4.4Å; F1035-F1082 WeakPolarHBondContact O-CE2 3.41Å; F1035-F1082 WeakPolarHBondContact O-CZ 3.47Å; F1035-L1101 HydrophobicContact CD1-CD1 3.93Å; F1035-L1101 HydrophobicContact CD1-CD2 3.38Å; F1035-L1101 HydrophobicContact CD1-CG 4.27Å; F1035-L1101 HydrophobicContact CE1-CD1 4.29Å; F1035-L1101 HydrophobicContact CE1-CD2 3.43Å; F1035-L1101 VanDerWaalsContact CE1-CD2 3.43Å; F1035-L1101 HydrophobicContact CE1-CG 4.35Å; F1035-L1101 HydrophobicContact CG-CD2 4.24Å; F1035-L1101 HydrophobicContact CZ-CD2 4.29Å; F1035-L1105 HydrophobicContact CE1-CD1 4.31Å |
| 1036 | E | 62.8 | Low | 56.9 | Low | 22 Ų | 22 | 31.6 Ų | 31.6 | 10% | 0.103 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 173.6 | -117.8 | -161.7 | 115.1 | 0 | 0 | 113 | Y1032 F1033 I1034 A1038 T1039 K1085 | Y1032-E1036 WeakPolarHBondContact CE1-OE2 3.37Å; Y1032-E1036 PolarHBondContact O-N 2.85Å; Y1032-E1036 PolarHBondContact OH-OE2 2.94Å; F1033-E1036 CarbonylContact O-C 3.52Å; F1033-E1036 WeakPolarHBondContact O-CB 3.39Å; F1033-E1036 PolarHBondContact O-N 2.98Å; F1033-E1036 VanDerWaalsContact O-N 3.15Å; I1034-E1036 VanDerWaalsContact C-N 3.33Å; E1036-A1038 VanDerWaalsContact C-N 3.28Å; E1036-A1038 PolarHBondContact O-N 3.41Å; E1036-T1039 WeakPolarHBondContact O-CA 3.45Å; E1036-T1039 VanDerWaalsContact O-CB 3.32Å; E1036-T1039 WeakPolarHBondContact O-CB 3.42Å; E1036-T1039 PolarHBondContact O-N 3.1Å; E1036-T1039 PolarHBondContact O-OG1 3.29Å; E1036-K1085 HydrophobicContact CG-CD 4.46Å; E1036-K1085 VanDerWaalsContact OE1-CE 3.24Å; E1036-K1085 WeakPolarHBondContact OE1-CE 3.46Å; E1036-K1085 IonicContact OE1-NZ 2.89Å; E1036-K1085 PolarHBondContact OE1-NZ 2.88Å; E1036-K1085 IonicContact OE2-NZ 3.75Å; E1036-K1085 PolarHBondContact OE2-NZ 3.35Å |
| 1037 | L | 59.5 | Low | 57.1 | Low | 9 Ų | 9 | 34.8 Ų | 34.8 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.6 | -36.7 | 174.6 | -84.9 | 163.3 | 0 | 0 | 0 | 112.1 | M969 I978 F1033 I1034 T1039 V1040 L1044 | M969-L1037 HydrophobicContact CE-CD1 3.23Å; I978-L1037 HydrophobicContact CD1-CD2 3.95Å; I978-L1037 HydrophobicContact CD1-CG 4.29Å; F1033-L1037 HydrophobicContact CD1-CD1 3.62Å; F1033-L1037 HydrophobicContact CD1-CG 4.44Å; F1033-L1037 HydrophobicContact CE1-CD1 3.3Å; F1033-L1037 HydrophobicContact CE1-CG 4.1Å; F1033-L1037 HydrophobicContact CG-CD1 4.38Å; F1033-L1037 HydrophobicContact CZ-CD1 3.82Å; F1033-L1037 HydrophobicContact CZ-CG 4.15Å; F1033-L1037 WeakPolarHBondContact O-CB 3.43Å; F1033-L1037 PolarHBondContact O-N 3.42Å; I1034-L1037 PolarHBondContact O-N 2.78Å; L1037-T1039 PolarHBondContact O-N 3.15Å; L1037-V1040 WeakPolarHBondContact O-CB 3.5Å; L1037-V1040 PolarHBondContact O-N 2.85Å; L1037-L1044 HydrophobicContact CB-CD2 3.93Å; L1037-L1044 HydrophobicContact CD2-CD2 3.83Å; L1037-L1044 HydrophobicContact CG-CD2 4.46Å |
| 1038 | A | 57.7 | Low | 57.3 | Low | 5 Ų | 5 | 33.6 Ų | 33.6 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.1 | -22.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1034 F1035 E1036 V1040 C1045 L1101 | I1034-A1038 WeakPolarHBondContact O-CB 3.2Å; I1034-A1038 PolarHBondContact O-N 3.48Å; F1035-A1038 WeakPolarHBondContact O-CB 3.36Å; F1035-A1038 PolarHBondContact O-N 3.41Å; E1036-A1038 VanDerWaalsContact C-N 3.28Å; E1036-A1038 PolarHBondContact O-N 3.41Å; A1038-V1040 VanDerWaalsContact C-N 3.29Å; A1038-V1040 PolarHBondContact O-N 3.02Å; A1038-C1045 HydrophobicContact CB-CB 3.93Å; A1038-L1101 HydrophobicContact CB-CD1 3.79Å |
| 1039 | T | 59.7 | Low | 57.5 | Low | 23 Ų | 23 | 32.7 Ų | 32.7 | 14% | 0.141 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -2.3 | 171 | 71.3 | 0 | 0 | 0 | 0 | 114.8 | F1035 E1036 L1037 F1082 R1097 | F1035-T1039 WeakPolarHBondContact O-CG2 3.47Å; F1035-T1039 PolarHBondContact O-N 3.32Å; E1036-T1039 WeakPolarHBondContact O-CA 3.45Å; E1036-T1039 VanDerWaalsContact O-CB 3.32Å; E1036-T1039 WeakPolarHBondContact O-CB 3.42Å; E1036-T1039 PolarHBondContact O-N 3.1Å; E1036-T1039 PolarHBondContact O-OG1 3.29Å; L1037-T1039 PolarHBondContact O-N 3.15Å; T1039-F1082 HydrophobicContact CG2-CE2 3.39Å; T1039-F1082 HydrophobicContact CG2-CZ 3.23Å; T1039-R1097 PolarHBondContact O-NH1 3.34Å |
| 1040 | V | 54.8 | Low | 57.6 | Low | 28 Ų | 28 | 29.8 Ų | 29.8 | 17% | 0.17 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -44.4 | -179.7 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | I978 F989 L1037 A1038 R1097 | I978-V1040 HydrophobicContact CG2-CG2 3.69Å; F989-V1040 HydrophobicContact CD2-CG1 4.17Å; L1037-V1040 WeakPolarHBondContact O-CB 3.5Å; L1037-V1040 PolarHBondContact O-N 2.85Å; A1038-V1040 VanDerWaalsContact C-N 3.29Å; A1038-V1040 PolarHBondContact O-N 3.02Å; V1040-R1097 VanDerWaalsContact C-NH1 3.31Å; V1040-R1097 PolarHBondContact O-NH1 3.1Å |
| 1041 | S | 56.1 | Low | 57.5 | Low | 21 Ų | 21 | 30.3 Ų | 30.3 | 15% | 0.147 | 16% | 0.161 | C | C | . | . | trans | -152.9 | 140.5 | -174.3 | 159 | 0 | 0 | 0 | 0 | 112.6 | T1043 L1044 C1045 | S1041-T1043 VanDerWaalsContact C-N 3.26Å; S1041-T1043 PolarHBondContact O-N 3.26Å; S1041-T1043 PolarHBondContact OG-N 3.33Å; S1041-T1043 VanDerWaalsContact OG-N 3.09Å; S1041-T1043 PolarHBondContact OG-OG1 3.4Å; S1041-L1044 PolarHBondContact O-N 3.4Å; S1041-L1044 PolarHBondContact OG-N 3.38Å; S1041-C1045 WeakPolarHBondContact O-CB 3.38Å; S1041-C1045 PolarHBondContact O-N 2.95Å | ||
| 1042 | N | 51.8 | Low | 57.1 | Low | 84 Ų | 84 | 31.7 Ų | 31.7 | 45% | 0.449 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.6 | -32.5 | 173.9 | -69.7 | 3.4 | 0 | 0 | 0 | 112.2 | S1046 | N1042-S1046 PolarHBondContact O-N 3.31Å; N1042-S1046 VanDerWaalsContact O-N 3.11Å |
| 1043 | T | 54.3 | Low | 56.6 | Low | 72 Ų | 72 | 32.6 Ų | 32.6 | 44% | 0.442 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -70.9 | -42.6 | 176.7 | 57.8 | 0 | 0 | 0 | 0 | 110.8 | S1041 S1046 E1047 | S1041-T1043 VanDerWaalsContact C-N 3.26Å; S1041-T1043 PolarHBondContact O-N 3.26Å; S1041-T1043 PolarHBondContact OG-N 3.33Å; S1041-T1043 VanDerWaalsContact OG-N 3.09Å; S1041-T1043 PolarHBondContact OG-OG1 3.4Å; T1043-S1046 PolarHBondContact O-N 3.37Å; T1043-S1046 VanDerWaalsContact O-N 3.16Å; T1043-E1047 PolarHBondContact O-N 2.89Å |
| 1044 | L | 51.2 | Low | 56.3 | Low | 9 Ų | 9 | 37.9 Ų | 37.9 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.5 | -41.4 | 178.7 | -148.8 | 113.1 | 0 | 0 | 0 | 111.1 | F989 L1037 S1041 S1046 E1047 V1048 | F989-L1044 HydrophobicContact CB-CD1 3.57Å; F989-L1044 WeakPolarHBondContact O-CD1 3.36Å; L1037-L1044 HydrophobicContact CB-CD2 3.93Å; L1037-L1044 HydrophobicContact CD2-CD2 3.83Å; L1037-L1044 HydrophobicContact CG-CD2 4.46Å; S1041-L1044 PolarHBondContact O-N 3.4Å; S1041-L1044 PolarHBondContact OG-N 3.38Å; L1044-S1046 VanDerWaalsContact C-N 3.28Å; L1044-S1046 PolarHBondContact O-N 3.3Å; L1044-E1047 PolarHBondContact O-N 3.35Å; L1044-V1048 HydrophobicContact CD2-CG2 4.38Å; L1044-V1048 WeakPolarHBondContact O-CB 3.43Å; L1044-V1048 VanDerWaalsContact O-CG2 3.26Å; L1044-V1048 WeakPolarHBondContact O-CG2 3.47Å; L1044-V1048 PolarHBondContact O-N 3.44Å |
| 1045 | C | 55.9 | Low | 55.7 | Low | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.02 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.5 | -44.6 | 171.2 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | A1038 S1041 L1049 | A1038-C1045 HydrophobicContact CB-CB 3.93Å; S1041-C1045 WeakPolarHBondContact O-CB 3.38Å; S1041-C1045 PolarHBondContact O-N 2.95Å; C1045-L1049 VanDerWaalsContact O-CB 3.23Å; C1045-L1049 WeakPolarHBondContact O-CB 3.28Å; C1045-L1049 WeakPolarHBondContact O-CD1 3.45Å; C1045-L1049 PolarHBondContact O-N 3.2Å |
| 1046 | S | 53.8 | Low | 55 | Low | 31 Ų | 31 | 40.8 Ų | 40.8 | 22% | 0.217 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.4 | -35.8 | 179 | -159.2 | 0 | 0 | 0 | 0 | 114.1 | N1042 T1043 L1044 K1050 K1104 | N1042-S1046 PolarHBondContact O-N 3.31Å; N1042-S1046 VanDerWaalsContact O-N 3.11Å; T1043-S1046 PolarHBondContact O-N 3.37Å; T1043-S1046 VanDerWaalsContact O-N 3.16Å; L1044-S1046 VanDerWaalsContact C-N 3.28Å; L1044-S1046 PolarHBondContact O-N 3.3Å; S1046-K1050 VanDerWaalsContact O-CB 3.29Å; S1046-K1050 WeakPolarHBondContact O-CB 3.45Å; S1046-K1050 WeakPolarHBondContact O-CG 3.48Å; S1046-K1050 PolarHBondContact O-N 3.46Å; S1046-K1104 PolarHBondContact OG-NZ 3.04Å |
| 1047 | E | 56.5 | Low | 53.9 | Low | 106 Ų | 106 | 43 Ų | 43 | 50% | 0.495 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.3 | -45.4 | 175.9 | -79.3 | -71.4 | 129.5 | 0 | 0 | 111.4 | T1043 L1044 K1050 S1051 | T1043-E1047 PolarHBondContact O-N 2.89Å; L1044-E1047 PolarHBondContact O-N 3.35Å; E1047-K1050 CarbonylContact O-C 3.35Å; E1047-K1050 WeakPolarHBondContact O-CB 3.23Å; E1047-K1050 PolarHBondContact O-N 2.91Å; E1047-S1051 WeakPolarHBondContact O-CB 3.32Å; E1047-S1051 PolarHBondContact O-N 2.76Å |
| 1048 | V | 54.4 | Low | 52.9 | Low | 15 Ų | 15 | 46.2 Ų | 46.2 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 177.3 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | I1034 L1044 S1051 I1052 | I1034-V1048 HydrophobicContact CB-CG1 4.47Å; I1034-V1048 HydrophobicContact CG1-CG1 4.27Å; I1034-V1048 HydrophobicContact CG2-CG1 3.66Å; L1044-V1048 HydrophobicContact CD2-CG2 4.38Å; L1044-V1048 WeakPolarHBondContact O-CB 3.43Å; L1044-V1048 VanDerWaalsContact O-CG2 3.26Å; L1044-V1048 WeakPolarHBondContact O-CG2 3.47Å; L1044-V1048 PolarHBondContact O-N 3.44Å; V1048-S1051 PolarHBondContact O-N 3.24Å; V1048-I1052 HydrophobicContact CG1-CD1 3.89Å; V1048-I1052 VanDerWaalsContact O-CG1 3.28Å; V1048-I1052 WeakPolarHBondContact O-CG1 3.37Å; V1048-I1052 PolarHBondContact O-N 2.87Å |
| 1049 | L | 58.4 | Low | 52.2 | Low | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 171.2 | -91 | 153.3 | 0 | 0 | 0 | 111.8 | C1045 S1051 I1052 I1053 L1101 K1104 L1105 | C1045-L1049 VanDerWaalsContact O-CB 3.23Å; C1045-L1049 WeakPolarHBondContact O-CB 3.28Å; C1045-L1049 WeakPolarHBondContact O-CD1 3.45Å; C1045-L1049 PolarHBondContact O-N 3.2Å; L1049-S1051 VanDerWaalsContact C-N 3.31Å; L1049-S1051 PolarHBondContact O-N 2.82Å; L1049-I1052 PolarHBondContact O-N 3.06Å; L1049-I1053 HydrophobicContact CD2-CD1 4.46Å; L1049-I1053 VanDerWaalsContact O-CB 3.29Å; L1049-I1053 WeakPolarHBondContact O-CB 3.5Å; L1049-I1053 WeakPolarHBondContact O-CD1 3.24Å; L1049-I1053 WeakPolarHBondContact O-CG1 3.35Å; L1049-I1053 PolarHBondContact O-N 3.13Å; L1049-L1101 HydrophobicContact CD1-CD1 4.22Å; L1049-K1104 HydrophobicContact CD1-CB 3.79Å; L1049-K1104 HydrophobicContact CD1-CD 3.71Å; L1049-K1104 HydrophobicContact CD1-CG 4.37Å; L1049-K1104 HydrophobicContact CD2-CB 4.33Å; L1049-L1105 HydrophobicContact CD2-CD2 3.84Å; L1049-L1105 HydrophobicContact CD2-CG 4.16Å |
| 1050 | K | 57.3 | Low | 51.1 | Low | 115 Ų | 115 | 56.4 Ų | 56.4 | 50% | 0.5 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 173.7 | -88 | -178.9 | 176.2 | -178.3 | 0 | 111.5 | S1046 E1047 I1053 N1054 | S1046-K1050 VanDerWaalsContact O-CB 3.29Å; S1046-K1050 WeakPolarHBondContact O-CB 3.45Å; S1046-K1050 WeakPolarHBondContact O-CG 3.48Å; S1046-K1050 PolarHBondContact O-N 3.46Å; E1047-K1050 CarbonylContact O-C 3.35Å; E1047-K1050 WeakPolarHBondContact O-CB 3.23Å; E1047-K1050 PolarHBondContact O-N 2.91Å; K1050-I1053 PolarHBondContact O-N 3.16Å; K1050-N1054 WeakPolarHBondContact O-CB 3.32Å; K1050-N1054 PolarHBondContact O-N 3.21Å; K1050-N1054 PolarHBondContact O-ND2 3.42Å; K1050-N1054 PolarHBondContact O-OD1 3.21Å |
| 1051 | S | 51.8 | Low | 50.3 | Low | 17 Ų | 17 | 57.7 Ų | 57.7 | 12% | 0.119 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 176.8 | 174.6 | 0 | 0 | 0 | 0 | 112.1 | E1047 V1048 L1049 K1055 | E1047-S1051 WeakPolarHBondContact O-CB 3.32Å; E1047-S1051 PolarHBondContact O-N 2.76Å; V1048-S1051 PolarHBondContact O-N 3.24Å; L1049-S1051 VanDerWaalsContact C-N 3.31Å; L1049-S1051 PolarHBondContact O-N 2.82Å; S1051-K1055 WeakPolarHBondContact O-CB 3.35Å; S1051-K1055 PolarHBondContact O-N 2.98Å |
| 1052 | I | 54.3 | Low | 49.5 | Very low | 42 Ų | 42 | 61.5 Ų | 61.5 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.3 | -44.6 | 177.3 | -68 | 163.8 | 0 | 0 | 0 | 110.1 | I1034 V1048 L1049 K1055 S1056 | I1034-I1052 HydrophobicContact CD1-CD1 4.26Å; I1034-I1052 HydrophobicContact CG2-CD1 3.79Å; V1048-I1052 HydrophobicContact CG1-CD1 3.89Å; V1048-I1052 VanDerWaalsContact O-CG1 3.28Å; V1048-I1052 WeakPolarHBondContact O-CG1 3.37Å; V1048-I1052 PolarHBondContact O-N 2.87Å; L1049-I1052 PolarHBondContact O-N 3.06Å; I1052-K1055 PolarHBondContact O-N 3.3Å; I1052-S1056 PolarHBondContact O-N 3.27Å; I1052-S1056 PolarHBondContact O-OG 3.31Å |
| 1053 | I | 54 | Low | 49 | Very low | 47 Ų | 47 | 60.3 Ų | 60.3 | 24% | 0.241 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.2 | -45 | 177.5 | -67.5 | 165.3 | 0 | 0 | 0 | 110.5 | L1049 K1050 K1055 S1056 L1057 A1108 | L1049-I1053 HydrophobicContact CD2-CD1 4.46Å; L1049-I1053 VanDerWaalsContact O-CB 3.29Å; L1049-I1053 WeakPolarHBondContact O-CB 3.5Å; L1049-I1053 WeakPolarHBondContact O-CD1 3.24Å; L1049-I1053 WeakPolarHBondContact O-CG1 3.35Å; L1049-I1053 PolarHBondContact O-N 3.13Å; K1050-I1053 PolarHBondContact O-N 3.16Å; I1053-K1055 PolarHBondContact O-N 3.4Å; I1053-S1056 WeakPolarHBondContact CA-OG 3.24Å; I1053-S1056 PolarHBondContact O-N 3.41Å; I1053-S1056 VanDerWaalsContact O-N 3.08Å; I1053-S1056 PolarHBondContact O-OG 3.45Å; I1053-L1057 HydrophobicContact CG2-CD1 3.64Å; I1053-L1057 WeakPolarHBondContact O-CG 3.24Å; I1053-L1057 PolarHBondContact O-N 3.16Å; I1053-A1108 HydrophobicContact CD1-CB 3.62Å; I1053-A1108 HydrophobicContact CG1-CB 3.98Å |
| 1054 | N | 52.2 | Low | 48.4 | Very low | 113 Ų | 113 | 60.2 Ų | 60.2 | 60% | 0.604 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.8 | -35.1 | 177.4 | -73.5 | -7.3 | 0 | 0 | 0 | 112.2 | K1050 S1056 L1057 | K1050-N1054 WeakPolarHBondContact O-CB 3.32Å; K1050-N1054 PolarHBondContact O-N 3.21Å; K1050-N1054 PolarHBondContact O-ND2 3.42Å; K1050-N1054 PolarHBondContact O-OD1 3.21Å; N1054-S1056 VanDerWaalsContact C-N 3.26Å; N1054-S1056 PolarHBondContact O-N 2.81Å; N1054-L1057 PolarHBondContact O-N 3.36Å; N1054-L1057 VanDerWaalsContact O-O 3.1Å |
| 1055 | K | 48.8 | Very low | 48 | Very low | 67 Ų | 67 | 64.4 Ų | 64.4 | 29% | 0.291 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.7 | -29 | 170.9 | -91.7 | -177.1 | 167.1 | -178.1 | 0 | 112.5 | E966 P996 S1051 I1052 I1053 | E966-K1055 IonicContact OE1-NZ 3.57Å; E966-K1055 PolarHBondContact OE1-NZ 3Å; E966-K1055 VanDerWaalsContact OE1-NZ 3.1Å; P996-K1055 HydrophobicContact CB-CD 3.98Å; P996-K1055 HydrophobicContact CB-CG 3.69Å; P996-K1055 HydrophobicContact CG-CD 3.94Å; P996-K1055 VanDerWaalsContact CG-CE 3.49Å; P996-K1055 HydrophobicContact CG-CG 3.48Å; P996-K1055 VanDerWaalsContact CG-CG 3.48Å; S1051-K1055 WeakPolarHBondContact O-CB 3.35Å; S1051-K1055 PolarHBondContact O-N 2.98Å; I1052-K1055 PolarHBondContact O-N 3.3Å; I1053-K1055 PolarHBondContact O-N 3.4Å |
| 1056 | S | 49.2 | Very low | 47.2 | Very low | 21 Ų | 21 | 72 Ų | 72 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -81.6 | -15.4 | 178.3 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | I1052 I1053 N1054 L1063 L1064 | I1052-S1056 PolarHBondContact O-N 3.27Å; I1052-S1056 PolarHBondContact O-OG 3.31Å; I1053-S1056 WeakPolarHBondContact CA-OG 3.24Å; I1053-S1056 PolarHBondContact O-N 3.41Å; I1053-S1056 VanDerWaalsContact O-N 3.08Å; I1053-S1056 PolarHBondContact O-OG 3.45Å; N1054-S1056 VanDerWaalsContact C-N 3.26Å; N1054-S1056 PolarHBondContact O-N 2.81Å; S1056-L1063 WeakPolarHBondContact O-CA 3.31Å; S1056-L1063 WeakPolarHBondContact O-CD2 3.37Å; S1056-L1064 PolarHBondContact O-N 2.9Å |
| 1057 | L | 39.6 | Very low | 46.4 | Very low | 67 Ų | 67 | 72.6 Ų | 72.6 | 35% | 0.351 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -113 | 128.7 | -174.6 | -69.4 | 162.2 | 0 | 0 | 0 | 111.7 | I1053 N1054 G1061 | I1053-L1057 HydrophobicContact CG2-CD1 3.64Å; I1053-L1057 WeakPolarHBondContact O-CG 3.24Å; I1053-L1057 PolarHBondContact O-N 3.16Å; N1054-L1057 PolarHBondContact O-N 3.36Å; N1054-L1057 VanDerWaalsContact O-O 3.1Å; L1057-G1061 VanDerWaalsContact CD2-O 3.29Å; L1057-G1061 WeakPolarHBondContact CD2-O 3.37Å |
| 1058 | K | 39.1 | Very low | 45.4 | Very low | 77 Ų | 77 | 71.8 Ų | 71.8 | 34% | 0.335 | 40% | 0.395 | S | S | . | . | trans | -59.1 | 159.2 | 160.8 | -79.7 | 175.9 | 171.6 | 163 | 0 | 109.2 | N1060 G1061 Q1062 L1064 D1065 | K1058-N1060 PolarHBondContact O-N 2.82Å; K1058-G1061 PolarHBondContact O-N 2.88Å; K1058-Q1062 WeakPolarHBondContact CA-O 3.29Å; K1058-Q1062 HydrophobicContact CB-CB 4.48Å; K1058-Q1062 WeakPolarHBondContact CB-O 3.47Å; K1058-Q1062 HydrophobicContact CD-CB 4.3Å; K1058-Q1062 PolarHBondContact N-O 2.58Å; K1058-L1064 HydrophobicContact CG-CD1 3.91Å; K1058-L1064 HydrophobicContact CG-CG 4.18Å; K1058-D1065 IonicContact NZ-OD2 3.61Å | ||
| 1059 | S | 43.4 | Very low | 45 | Very low | 122 Ų | 122 | 76.7 Ų | 76.7 | 85% | 0.853 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47 | -17.9 | 168.1 | 51.5 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1060 | N | 37.5 | Very low | 44.7 | Very low | 121 Ų | 121 | 78 Ų | 78 | 65% | 0.647 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 10 | -175.9 | -51 | 6.7 | 0 | 0 | 0 | 112.7 | K1058 Q1062 | K1058-N1060 PolarHBondContact O-N 2.82Å; N1060-Q1062 PolarHBondContact O-N 3.24Å |
| 1061 | G | 36.8 | Very low | 44.4 | Very low | 55 Ų | 55 | 74.5 Ų | 74.5 | 57% | 0.567 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 74.5 | -0.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | L1057 K1058 | L1057-G1061 VanDerWaalsContact CD2-O 3.29Å; L1057-G1061 WeakPolarHBondContact CD2-O 3.37Å; K1058-G1061 PolarHBondContact O-N 2.88Å |
| 1062 | Q | 38.9 | Very low | 44.2 | Very low | 100 Ų | 100 | 75.7 Ų | 75.7 | 47% | 0.467 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 138.4 | 174.5 | -71.3 | 179.6 | -16.9 | 0 | 0 | 110.8 | K1058 N1060 L1064 | K1058-Q1062 WeakPolarHBondContact CA-O 3.29Å; K1058-Q1062 HydrophobicContact CB-CB 4.48Å; K1058-Q1062 WeakPolarHBondContact CB-O 3.47Å; K1058-Q1062 HydrophobicContact CD-CB 4.3Å; K1058-Q1062 PolarHBondContact N-O 2.58Å; N1060-Q1062 PolarHBondContact O-N 3.24Å; Q1062-L1064 PolarHBondContact O-N 2.92Å |
| 1063 | L | 41.3 | Very low | 44.1 | Very low | 59 Ų | 59 | 75 Ų | 75 | 31% | 0.309 | 42% | 0.424 | S | S | . | . | B | Isolated β-bridge | trans | -56 | 137.9 | 171.1 | -92.8 | 140.6 | 0 | 0 | 0 | 110.7 | S1056 D1065 L1133 | S1056-L1063 WeakPolarHBondContact O-CA 3.31Å; S1056-L1063 WeakPolarHBondContact O-CD2 3.37Å; L1063-D1065 PolarHBondContact O-N 3.44Å; L1063-D1065 VanDerWaalsContact O-N 3.14Å; L1063-L1133 HydrophobicContact CD1-CD2 3.92Å |
| 1064 | L | 41.6 | Very low | 44.4 | Very low | 71 Ų | 71 | 75.1 Ų | 75.1 | 37% | 0.372 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -62 | 117.6 | 167.9 | -110.9 | 102.2 | 0 | 0 | 0 | 107.8 | S1056 K1058 Q1062 H1066 V1067 | S1056-L1064 PolarHBondContact O-N 2.9Å; K1058-L1064 HydrophobicContact CG-CD1 3.91Å; K1058-L1064 HydrophobicContact CG-CG 4.18Å; Q1062-L1064 PolarHBondContact O-N 2.92Å; L1064-H1066 PolarHBondContact O-N 3.48Å; L1064-V1067 HydrophobicContact CB-CG2 3.76Å; L1064-V1067 PolarHBondContact O-N 2.55Å |
| 1065 | D | 42.4 | Very low | 44.8 | Very low | 97 Ų | 97 | 70.7 Ų | 70.7 | 52% | 0.519 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -10.4 | 175.8 | -70.3 | -51 | 0 | 0 | 0 | 113.6 | K1058 L1063 | K1058-D1065 IonicContact NZ-OD2 3.61Å; L1063-D1065 PolarHBondContact O-N 3.44Å; L1063-D1065 VanDerWaalsContact O-N 3.14Å |
| 1066 | H | 40.7 | Very low | 45.4 | Very low | 163 Ų | 163 | 68.9 Ų | 68.9 | 76% | 0.755 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 8.6 | -179.2 | -58.3 | -47.4 | 0 | 0 | 0 | 115 | L1064 S1068 | L1064-H1066 PolarHBondContact O-N 3.48Å; H1066-S1068 PolarHBondContact O-N 3.37Å |
| 1067 | V | 36.2 | Very low | 46 | Very low | 43 Ų | 43 | 71.4 Ų | 71.4 | 26% | 0.261 | 40% | 0.404 | S | S | . | . | trans | -82.6 | 17.5 | 169.8 | -172.6 | 0 | 0 | 0 | 0 | 111.9 | L1064 K1069 | L1064-V1067 HydrophobicContact CB-CG2 3.76Å; L1064-V1067 PolarHBondContact O-N 2.55Å; V1067-K1069 PolarHBondContact O-N 2.88Å | ||
| 1068 | S | 35 | Very low | 47.1 | Very low | 89 Ų | 89 | 68.2 Ų | 68.2 | 62% | 0.622 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 100.5 | 169.1 | 62.7 | 0 | 0 | 0 | 0 | 110.1 | H1066 | H1066-S1068 PolarHBondContact O-N 3.37Š|
| 1069 | K | 46.7 | Very low | 48.3 | Very low | 118 Ų | 118 | 65.7 Ų | 65.7 | 51% | 0.513 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 123.4 | 44.5 | 162.7 | -63.9 | 176 | 179.1 | -161.4 | 0 | 116.8 | V1025 V1067 S1071 | V1025-K1069 HydrophobicContact CG2-CB 4.42Å; V1067-K1069 PolarHBondContact O-N 2.88Å; K1069-S1071 PolarHBondContact O-N 3.39Å |
| 1070 | I | 51.5 | Low | 49.4 | Very low | 34 Ų | 34 | 64.9 Ų | 64.9 | 17% | 0.174 | 36% | 0.36 | C | S | . | . | trans | -69.1 | 95.9 | 135.6 | -61 | 177 | 0 | 0 | 0 | 104.3 | I1026 L1031 S1072 L1075 L1136 | I1026-I1070 HydrophobicContact CD1-CD1 4.09Å; I1026-I1070 HydrophobicContact CD1-CG1 4.21Å; L1031-I1070 HydrophobicContact CD1-CG2 4Å; I1070-S1072 PolarHBondContact O-N 3.21Å; I1070-L1075 HydrophobicContact CG2-CB 4.38Å; I1070-L1075 HydrophobicContact CG2-CD1 4.33Å; I1070-L1136 HydrophobicContact CB-CD2 4.34Å | ||
| 1071 | S | 51.1 | Low | 50.6 | Low | 41 Ų | 41 | 62.5 Ų | 62.5 | 29% | 0.287 | 35% | 0.347 | S | S | . | . | trans | -59.7 | 134.4 | 178.7 | 90.3 | 0 | 0 | 0 | 0 | 107.8 | K1069 G1073 H1074 L1075 | K1069-S1071 PolarHBondContact O-N 3.39Å; S1071-G1073 PolarHBondContact O-N 3.25Å; S1071-G1073 VanDerWaalsContact O-N 3.13Å; S1071-H1074 WeakPolarHBondContact O-CA 3.44Å; S1071-H1074 WeakPolarHBondContact O-CB 3.2Å; S1071-H1074 PolarHBondContact O-N 2.57Å; S1071-H1074 PolarHBondContact OG-CD2 3.4Å; S1071-H1074 PolarHBondContact OG-CE1 3.34Å; S1071-H1074 PolarHBondContact OG-N 2.83Å; S1071-H1074 PolarHBondContact OG-ND1 2.88Å; S1071-L1075 PolarHBondContact O-N 2.86Å | ||
| 1072 | S | 48.2 | Very low | 52 | Low | 42 Ų | 42 | 60.2 Ų | 60.2 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -49.9 | -37.2 | 173.8 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | I1070 L1075 I1076 | I1070-S1072 PolarHBondContact O-N 3.21Å; S1072-L1075 PolarHBondContact O-N 3.47Å; S1072-I1076 WeakPolarHBondContact O-CB 3.42Å; S1072-I1076 WeakPolarHBondContact O-CD1 3.36Å; S1072-I1076 VanDerWaalsContact O-CG1 3.25Å; S1072-I1076 WeakPolarHBondContact O-CG1 3.49Å; S1072-I1076 PolarHBondContact O-N 2.85Å |
| 1073 | G | 52.6 | Low | 53.2 | Low | 29 Ų | 29 | 56.2 Ų | 56.2 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1071 I1076 I1077 | S1071-G1073 PolarHBondContact O-N 3.25Å; S1071-G1073 VanDerWaalsContact O-N 3.13Å; G1073-I1076 PolarHBondContact O-N 3.11Å; G1073-I1077 VanDerWaalsContact O-CB 3.31Å; G1073-I1077 WeakPolarHBondContact O-CB 3.5Å; G1073-I1077 WeakPolarHBondContact O-CD1 3.4Å; G1073-I1077 WeakPolarHBondContact O-CG1 3.28Å; G1073-I1077 PolarHBondContact O-N 2.98Å |
| 1074 | H | 60.1 | Low | 54.2 | Low | 49 Ų | 49 | 61.5 Ų | 61.5 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.9 | -40 | 178.6 | -63.1 | 148.2 | 0 | 0 | 0 | 112.6 | P1028 S1071 A1078 | P1028-H1074 HydrophobicContact CG-CB 3.85Å; P1028-H1074 WeakPolarHBondContact CG-CD2 3.35Å; S1071-H1074 WeakPolarHBondContact O-CA 3.44Å; S1071-H1074 WeakPolarHBondContact O-CB 3.2Å; S1071-H1074 PolarHBondContact O-N 2.57Å; S1071-H1074 PolarHBondContact OG-CD2 3.4Å; S1071-H1074 PolarHBondContact OG-CE1 3.34Å; S1071-H1074 PolarHBondContact OG-N 2.83Å; S1071-H1074 PolarHBondContact OG-ND1 2.88Å; H1074-A1078 VanDerWaalsContact O-CB 3.31Å; H1074-A1078 WeakPolarHBondContact O-CB 3.08Å; H1074-A1078 PolarHBondContact O-N 2.74Å |
| 1075 | L | 61.1 | Low | 55.3 | Low | 19 Ų | 19 | 62 Ų | 62 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 175.6 | -163.3 | 99.1 | 0 | 0 | 0 | 110.9 | L1031 I1070 S1071 S1072 A1078 I1079 L1111 | L1031-L1075 HydrophobicContact CD2-CD1 4Å; I1070-L1075 HydrophobicContact CG2-CB 4.38Å; I1070-L1075 HydrophobicContact CG2-CD1 4.33Å; S1071-L1075 PolarHBondContact O-N 2.86Å; S1072-L1075 PolarHBondContact O-N 3.47Å; L1075-A1078 PolarHBondContact O-N 2.86Å; L1075-I1079 HydrophobicContact CD2-CD1 3.9Å; L1075-I1079 HydrophobicContact CG-CD1 4.11Å; L1075-I1079 VanDerWaalsContact O-CG1 3.32Å; L1075-I1079 WeakPolarHBondContact O-CG1 3.33Å; L1075-I1079 PolarHBondContact O-N 3.43Å; L1075-L1111 HydrophobicContact CD2-CD2 3.82Å |
| 1076 | I | 60.5 | Low | 56.3 | Low | 30 Ų | 30 | 57.6 Ų | 57.6 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 177.6 | -73.2 | 167.7 | 0 | 0 | 0 | 111 | S1072 G1073 A1078 I1079 Q1080 F1146 | S1072-I1076 WeakPolarHBondContact O-CB 3.42Å; S1072-I1076 WeakPolarHBondContact O-CD1 3.36Å; S1072-I1076 VanDerWaalsContact O-CG1 3.25Å; S1072-I1076 WeakPolarHBondContact O-CG1 3.49Å; S1072-I1076 PolarHBondContact O-N 2.85Å; G1073-I1076 PolarHBondContact O-N 3.11Å; I1076-A1078 VanDerWaalsContact C-N 3.33Å; I1076-A1078 PolarHBondContact O-N 3.44Å; I1076-I1079 PolarHBondContact O-N 3.06Å; I1076-Q1080 WeakPolarHBondContact O-CB 3.48Å; I1076-Q1080 PolarHBondContact O-N 3Å; I1076-F1146 HydrophobicContact CB-CE2 4.45Å; I1076-F1146 HydrophobicContact CB-CZ 4.31Å; I1076-F1146 HydrophobicContact CD1-CD1 4.28Å; I1076-F1146 HydrophobicContact CD1-CD2 4.03Å; I1076-F1146 HydrophobicContact CD1-CE1 4.19Å; I1076-F1146 HydrophobicContact CD1-CE2 3.96Å; I1076-F1146 HydrophobicContact CD1-CG 4.19Å; I1076-F1146 HydrophobicContact CD1-CZ 4.04Å; I1076-F1146 HydrophobicContact CG1-CE1 4.18Å; I1076-F1146 HydrophobicContact CG1-CE2 4.23Å; I1076-F1146 HydrophobicContact CG1-CZ 3.91Å; I1076-F1146 HydrophobicContact CG2-CD2 4.38Å; I1076-F1146 HydrophobicContact CG2-CE2 3.39Å; I1076-F1146 HydrophobicContact CG2-CZ 3.48Å; I1076-F1146 VanDerWaalsContact CG2-CZ 3.48Å |
| 1077 | I | 61 | Low | 57.1 | Low | 74 Ų | 74 | 53.1 Ų | 53.1 | 38% | 0.379 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 177.1 | -70 | 163.6 | 0 | 0 | 0 | 110 | P1028 G1073 Q1080 L1081 | P1028-I1077 HydrophobicContact CB-CB 4.15Å; P1028-I1077 HydrophobicContact CB-CG2 3.73Å; P1028-I1077 HydrophobicContact CG-CG2 4.37Å; G1073-I1077 VanDerWaalsContact O-CB 3.31Å; G1073-I1077 WeakPolarHBondContact O-CB 3.5Å; G1073-I1077 WeakPolarHBondContact O-CD1 3.4Å; G1073-I1077 WeakPolarHBondContact O-CG1 3.28Å; G1073-I1077 PolarHBondContact O-N 2.98Å; I1077-Q1080 PolarHBondContact O-N 3.48Å; I1077-L1081 HydrophobicContact CG2-CD1 3.76Å; I1077-L1081 HydrophobicContact CG2-CG 4.19Å; I1077-L1081 WeakPolarHBondContact O-CB 3.45Å; I1077-L1081 VanDerWaalsContact O-CG 3.22Å; I1077-L1081 WeakPolarHBondContact O-CG 3.34Å; I1077-L1081 PolarHBondContact O-N 2.82Å |
| 1078 | A | 63.8 | Low | 58 | Low | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64 | -43.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1031 F1035 H1074 L1075 I1076 L1081 F1082 | L1031-A1078 HydrophobicContact CB-CB 3.52Å; F1035-A1078 HydrophobicContact CD2-CB 4.09Å; F1035-A1078 HydrophobicContact CE2-CB 3.67Å; H1074-A1078 VanDerWaalsContact O-CB 3.31Å; H1074-A1078 WeakPolarHBondContact O-CB 3.08Å; H1074-A1078 PolarHBondContact O-N 2.74Å; L1075-A1078 PolarHBondContact O-N 2.86Å; I1076-A1078 VanDerWaalsContact C-N 3.33Å; I1076-A1078 PolarHBondContact O-N 3.44Å; A1078-L1081 PolarHBondContact O-N 3.08Å; A1078-F1082 WeakPolarHBondContact O-CB 3.23Å; A1078-F1082 PolarHBondContact O-N 2.8Å |
| 1079 | I | 64.9 | Low | 58.9 | Low | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 175.3 | -68 | 170.4 | 0 | 0 | 0 | 110 | F1035 L1075 I1076 F1082 L1083 L1102 | F1035-I1079 HydrophobicContact CE2-CG1 3.68Å; F1035-I1079 HydrophobicContact CZ-CG1 4.07Å; L1075-I1079 HydrophobicContact CD2-CD1 3.9Å; L1075-I1079 HydrophobicContact CG-CD1 4.11Å; L1075-I1079 VanDerWaalsContact O-CG1 3.32Å; L1075-I1079 WeakPolarHBondContact O-CG1 3.33Å; L1075-I1079 PolarHBondContact O-N 3.43Å; I1076-I1079 PolarHBondContact O-N 3.06Å; I1079-F1082 PolarHBondContact O-N 3.43Å; I1079-L1083 HydrophobicContact CG2-CD1 3.7Å; I1079-L1083 HydrophobicContact CG2-CG 4.15Å; I1079-L1083 WeakPolarHBondContact O-CB 3.43Å; I1079-L1083 WeakPolarHBondContact O-CG 3.49Å; I1079-L1083 PolarHBondContact O-N 3.19Å; I1079-L1102 HydrophobicContact CD1-CD2 4.49Å |
| 1080 | Q | 64.7 | Low | 59.1 | Low | 106 Ų | 106 | 57.5 Ų | 57.5 | 50% | 0.495 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 176.9 | -88.5 | -172.2 | -23.5 | 0 | 0 | 112.5 | I1076 I1077 F1082 L1083 R1084 | I1076-Q1080 WeakPolarHBondContact O-CB 3.48Å; I1076-Q1080 PolarHBondContact O-N 3Å; I1077-Q1080 PolarHBondContact O-N 3.48Å; Q1080-F1082 VanDerWaalsContact C-N 3.28Å; Q1080-F1082 PolarHBondContact O-N 3.34Å; Q1080-L1083 PolarHBondContact O-N 3.45Å; Q1080-R1084 WeakPolarHBondContact O-CB 3.45Å; Q1080-R1084 PolarHBondContact O-N 3.31Å |
| 1081 | L | 63.2 | Low | 59.2 | Low | 71 Ų | 71 | 60.9 Ų | 60.9 | 37% | 0.372 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 177.1 | -73.7 | 172.2 | 0 | 0 | 0 | 110.8 | Y1032 I1077 A1078 R1084 K1085 | Y1032-L1081 HydrophobicContact CD2-CB 3.46Å; Y1032-L1081 VanDerWaalsContact CD2-CB 3.46Å; Y1032-L1081 HydrophobicContact CE2-CB 3.94Å; Y1032-L1081 HydrophobicContact CG-CB 4.15Å; I1077-L1081 HydrophobicContact CG2-CD1 3.76Å; I1077-L1081 HydrophobicContact CG2-CG 4.19Å; I1077-L1081 WeakPolarHBondContact O-CB 3.45Å; I1077-L1081 VanDerWaalsContact O-CG 3.22Å; I1077-L1081 WeakPolarHBondContact O-CG 3.34Å; I1077-L1081 PolarHBondContact O-N 2.82Å; A1078-L1081 PolarHBondContact O-N 3.08Å; L1081-R1084 PolarHBondContact O-N 2.88Å; L1081-K1085 PolarHBondContact O-N 3.2Å; L1081-K1085 VanDerWaalsContact O-N 3.15Å |
| 1082 | F | 66.2 | Low | 59.3 | Low | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.4 | -47.2 | 178.4 | -174.7 | -115.4 | 0 | 0 | 0 | 111.9 | Y1032 F1035 T1039 A1078 I1079 Q1080 R1084 K1085 I1086 L1098 | Y1032-F1082 HydrophobicContact CD2-CB 4.06Å; Y1032-F1082 HydrophobicContact CE2-CB 4.38Å; F1035-F1082 HydrophobicContact CB-CB 4.24Å; F1035-F1082 HydrophobicContact CB-CD1 4.03Å; F1035-F1082 HydrophobicContact CB-CD2 3.53Å; F1035-F1082 HydrophobicContact CB-CE1 4.17Å; F1035-F1082 HydrophobicContact CB-CE2 3.73Å; F1035-F1082 HydrophobicContact CB-CG 3.68Å; F1035-F1082 HydrophobicContact CB-CZ 4.02Å; F1035-F1082 HydrophobicContact CD2-CB 4.16Å; F1035-F1082 HydrophobicContact CD2-CG 4.37Å; F1035-F1082 HydrophobicContact CG-CG 4.4Å; F1035-F1082 WeakPolarHBondContact O-CE2 3.41Å; F1035-F1082 WeakPolarHBondContact O-CZ 3.47Å; T1039-F1082 HydrophobicContact CG2-CE2 3.39Å; T1039-F1082 HydrophobicContact CG2-CZ 3.23Å; A1078-F1082 WeakPolarHBondContact O-CB 3.23Å; A1078-F1082 PolarHBondContact O-N 2.8Å; I1079-F1082 PolarHBondContact O-N 3.43Å; Q1080-F1082 VanDerWaalsContact C-N 3.28Å; Q1080-F1082 PolarHBondContact O-N 3.34Å; F1082-R1084 VanDerWaalsContact C-N 3.32Å; F1082-R1084 PolarHBondContact O-N 3.11Å; F1082-K1085 PolarHBondContact O-N 3.11Å; F1082-K1085 VanDerWaalsContact O-N 3.15Å; F1082-I1086 HydrophobicContact CD1-CD1 3.71Å; F1082-I1086 HydrophobicContact CD1-CG1 4.49Å; F1082-I1086 HydrophobicContact CE1-CD1 3.25Å; F1082-I1086 HydrophobicContact CE1-CG1 4.27Å; F1082-I1086 HydrophobicContact CE2-CD1 4.19Å; F1082-I1086 HydrophobicContact CE2-CG1 4.46Å; F1082-I1086 HydrophobicContact CG-CD1 4.37Å; F1082-I1086 HydrophobicContact CZ-CD1 3.54Å; F1082-I1086 HydrophobicContact CZ-CG1 4.27Å; F1082-I1086 WeakPolarHBondContact O-CG1 3.44Å; F1082-I1086 PolarHBondContact O-N 3.01Å; F1082-L1098 HydrophobicContact CD1-CD1 3.42Å; F1082-L1098 VanDerWaalsContact CD1-CD1 3.42Å; F1082-L1098 HydrophobicContact CE1-CB 4.19Å; F1082-L1098 HydrophobicContact CE1-CD1 3.39Å; F1082-L1098 HydrophobicContact CE1-CG 4.4Å |
| 1083 | L | 63.6 | Low | 59.6 | Low | 16 Ų | 16 | 66.6 Ų | 66.6 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 174.3 | -71.8 | 172.2 | 0 | 0 | 0 | 111.9 | I1079 Q1080 K1085 I1086 V1087 W1095 L1098 L1155 | I1079-L1083 HydrophobicContact CG2-CD1 3.7Å; I1079-L1083 HydrophobicContact CG2-CG 4.15Å; I1079-L1083 WeakPolarHBondContact O-CB 3.43Å; I1079-L1083 WeakPolarHBondContact O-CG 3.49Å; I1079-L1083 PolarHBondContact O-N 3.19Å; Q1080-L1083 PolarHBondContact O-N 3.45Å; L1083-K1085 PolarHBondContact O-N 3.05Å; L1083-I1086 PolarHBondContact O-N 2.79Å; L1083-V1087 VanDerWaalsContact O-CG2 3.25Å; L1083-V1087 WeakPolarHBondContact O-CG2 3.47Å; L1083-V1087 PolarHBondContact O-N 3.41Å; L1083-W1095 HydrophobicContact CD2-CZ3 4.45Å; L1083-L1098 HydrophobicContact CD2-CD1 3.83Å; L1083-L1098 HydrophobicContact CD2-CD2 3.59Å; L1083-L1098 HydrophobicContact CD2-CG 4.39Å; L1083-L1155 HydrophobicContact CD1-CD1 4.48Å; L1083-L1155 HydrophobicContact CD1-CD2 3.72Å; L1083-L1155 HydrophobicContact CD2-CD2 3.21Å; L1083-L1155 HydrophobicContact CG-CD2 4.03Å |
| 1084 | R | 64.3 | Low | 59.8 | Low | 170 Ų | 170 | 65.6 Ų | 65.6 | 64% | 0.642 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62 | -32.6 | 178.3 | -146.5 | 177.4 | -170.8 | -169.7 | 3.3 | 112.1 | Q1080 L1081 F1082 | Q1080-R1084 WeakPolarHBondContact O-CB 3.45Å; Q1080-R1084 PolarHBondContact O-N 3.31Å; L1081-R1084 PolarHBondContact O-N 2.88Å; F1082-R1084 VanDerWaalsContact C-N 3.32Å; F1082-R1084 PolarHBondContact O-N 3.11Å |
| 1085 | K | 64.6 | Low | 59.6 | Low | 81 Ų | 81 | 63.9 Ų | 63.9 | 35% | 0.352 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -77.7 | -42.7 | 173.5 | -175.4 | 164.8 | 177.6 | 166.5 | 0 | 112.4 | Y1032 E1036 L1081 F1082 L1083 V1087 K1088 S1089 | Y1032-K1085 WeakPolarHBondContact OH-CD 3.41Å; Y1032-K1085 PolarHBondContact OH-NZ 3.37Å; E1036-K1085 HydrophobicContact CG-CD 4.46Å; E1036-K1085 VanDerWaalsContact OE1-CE 3.24Å; E1036-K1085 WeakPolarHBondContact OE1-CE 3.46Å; E1036-K1085 IonicContact OE1-NZ 2.89Å; E1036-K1085 PolarHBondContact OE1-NZ 2.88Å; E1036-K1085 IonicContact OE2-NZ 3.75Å; E1036-K1085 PolarHBondContact OE2-NZ 3.35Å; L1081-K1085 PolarHBondContact O-N 3.2Å; L1081-K1085 VanDerWaalsContact O-N 3.15Å; F1082-K1085 PolarHBondContact O-N 3.11Å; F1082-K1085 VanDerWaalsContact O-N 3.15Å; L1083-K1085 PolarHBondContact O-N 3.05Å; K1085-V1087 VanDerWaalsContact C-N 3.31Å; K1085-V1087 PolarHBondContact O-N 3.42Å; K1085-K1088 CarbonylContact O-C 3.57Å; K1085-K1088 WeakPolarHBondContact O-CA 3.39Å; K1085-K1088 WeakPolarHBondContact O-CB 3.4Å; K1085-K1088 PolarHBondContact O-N 3.45Å; K1085-S1089 WeakPolarHBondContact O-CB 3.45Å; K1085-S1089 PolarHBondContact O-N 3.12Å |
| 1086 | I | 62 | Low | 59.4 | Low | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 178.1 | -70.8 | -178.2 | 0 | 0 | 0 | 110.8 | F1082 L1083 K1088 S1089 C1094 W1095 L1098 | F1082-I1086 HydrophobicContact CD1-CD1 3.71Å; F1082-I1086 HydrophobicContact CD1-CG1 4.49Å; F1082-I1086 HydrophobicContact CE1-CD1 3.25Å; F1082-I1086 HydrophobicContact CE1-CG1 4.27Å; F1082-I1086 HydrophobicContact CE2-CD1 4.19Å; F1082-I1086 HydrophobicContact CE2-CG1 4.46Å; F1082-I1086 HydrophobicContact CG-CD1 4.37Å; F1082-I1086 HydrophobicContact CZ-CD1 3.54Å; F1082-I1086 HydrophobicContact CZ-CG1 4.27Å; F1082-I1086 WeakPolarHBondContact O-CG1 3.44Å; F1082-I1086 PolarHBondContact O-N 3.01Å; L1083-I1086 PolarHBondContact O-N 2.79Å; I1086-K1088 PolarHBondContact O-N 2.95Å; I1086-S1089 WeakPolarHBondContact CA-OG 3.49Å; I1086-S1089 PolarHBondContact O-N 3.49Å; I1086-S1089 PolarHBondContact O-OG 3.46Å; I1086-C1094 HydrophobicContact CD1-CB 3.96Å; I1086-C1094 HydrophobicContact CG1-CB 3.87Å; I1086-C1094 HydrophobicContact CG2-CB 4.09Å; I1086-W1095 HydrophobicContact CG2-CD2 3.84Å; I1086-W1095 VanDerWaalsContact CG2-CE2 3.45Å; I1086-W1095 HydrophobicContact CG2-CG 4.08Å; I1086-W1095 HydrophobicContact CG2-CZ2 3.88Å; I1086-L1098 HydrophobicContact CD1-CB 4.13Å; I1086-L1098 HydrophobicContact CD1-CD1 4.23Å |
| 1087 | V | 57.3 | Low | 59.3 | Low | 69 Ų | 69 | 67.2 Ų | 67.2 | 42% | 0.418 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.9 | -33.7 | 177 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | L1083 K1085 W1095 L1158 | L1083-V1087 VanDerWaalsContact O-CG2 3.25Å; L1083-V1087 WeakPolarHBondContact O-CG2 3.47Å; L1083-V1087 PolarHBondContact O-N 3.41Å; K1085-V1087 VanDerWaalsContact C-N 3.31Å; K1085-V1087 PolarHBondContact O-N 3.42Å; V1087-W1095 HydrophobicContact CG2-CH2 4.4Å; V1087-W1095 HydrophobicContact CG2-CZ2 4.1Å; V1087-L1158 HydrophobicContact CG1-CD2 3.96Å; V1087-L1158 HydrophobicContact CG2-CD1 3.97Å; V1087-L1158 HydrophobicContact CG2-CD2 3.95Å; V1087-L1158 HydrophobicContact CG2-CG 4.47Å |
| 1088 | K | 55.7 | Low | 59.3 | Low | 132 Ų | 132 | 63.9 Ų | 63.9 | 57% | 0.574 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -77.7 | -32 | 173.2 | -76.8 | -175.2 | 176.6 | -179.1 | 0 | 113.6 | K1085 I1086 K1090 | K1085-K1088 CarbonylContact O-C 3.57Å; K1085-K1088 WeakPolarHBondContact O-CA 3.39Å; K1085-K1088 WeakPolarHBondContact O-CB 3.4Å; K1085-K1088 PolarHBondContact O-N 3.45Å; I1086-K1088 PolarHBondContact O-N 2.95Å; K1088-K1090 VanDerWaalsContact C-N 3.29Å; K1088-K1090 PolarHBondContact O-N 3.31Å |
| 1089 | S | 54.3 | Low | 59.2 | Low | 40 Ų | 40 | 68 Ų | 68 | 28% | 0.28 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -71.2 | -14.8 | -167.2 | 71.9 | 0 | 0 | 0 | 0 | 115 | K1085 I1086 Q1091 | K1085-S1089 WeakPolarHBondContact O-CB 3.45Å; K1085-S1089 PolarHBondContact O-N 3.12Å; I1086-S1089 WeakPolarHBondContact CA-OG 3.49Å; I1086-S1089 PolarHBondContact O-N 3.49Å; I1086-S1089 PolarHBondContact O-OG 3.46Å; S1089-Q1091 WeakPolarHBondContact O-CG 3.43Å; S1089-Q1091 PolarHBondContact O-N 3.33Å |
| 1090 | K | 50.5 | Low | 59 | Low | 170 Ų | 170 | 70.6 Ų | 70.6 | 74% | 0.739 | 32% | 0.317 | S | S | * | . | trans | 47.3 | 13.4 | -172.5 | -66.7 | -172.5 | 178.3 | -178.2 | 0 | 114.4 | K1088 W1092 | K1088-K1090 VanDerWaalsContact C-N 3.29Å; K1088-K1090 PolarHBondContact O-N 3.31Å; K1090-W1092 PolarHBondContact O-NE1 3.23Å | ||
| 1091 | Q | 54.1 | Low | 58.8 | Low | 106 Ų | 106 | 66 Ų | 66 | 50% | 0.495 | 30% | 0.295 | S | S | . | . | trans | -96.3 | 116.3 | -177.3 | -76.6 | -173.2 | 3.9 | 0 | 0 | 109.9 | S1089 K1093 C1094 | S1089-Q1091 WeakPolarHBondContact O-CG 3.43Å; S1089-Q1091 PolarHBondContact O-N 3.33Å; Q1091-K1093 PolarHBondContact O-N 3.41Å; Q1091-C1094 WeakPolarHBondContact O-CB 3.46Å; Q1091-C1094 PolarHBondContact O-N 3.28Å | ||
| 1092 | W | 53.5 | Low | 58.7 | Low | 89 Ų | 89 | 64.3 Ų | 64.3 | 34% | 0.337 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -74.3 | -32.6 | -168.3 | -58.6 | 14.1 | 0 | 0 | 0 | 111.4 | K1090 C1094 W1095 L1163 L1166 | K1090-W1092 PolarHBondContact O-NE1 3.23Å; W1092-C1094 PolarHBondContact O-N 3.26Å; W1092-C1094 VanDerWaalsContact O-N 3.15Å; W1092-W1095 PolarHBondContact O-N 3.26Å; W1092-L1163 HydrophobicContact CH2-CD2 4.19Å; W1092-L1163 HydrophobicContact CZ3-CD2 4.16Å; W1092-L1166 HydrophobicContact CH2-CB 4.04Å; W1092-L1166 HydrophobicContact CH2-CD1 4.01Å; W1092-L1166 HydrophobicContact CH2-CD2 3.79Å; W1092-L1166 HydrophobicContact CH2-CG 4.13Å; W1092-L1166 HydrophobicContact CZ2-CB 4.03Å; W1092-L1166 HydrophobicContact CZ2-CD1 3.37Å; W1092-L1166 HydrophobicContact CZ2-CD2 4.03Å; W1092-L1166 HydrophobicContact CZ2-CG 3.98Å |
| 1093 | K | 54 | Low | 58.3 | Low | 113 Ų | 113 | 70.2 Ų | 70.2 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.5 | -24.9 | 173.9 | -73.8 | -176.1 | 175.6 | 179.2 | 0 | 113.4 | Q1091 W1095 R1097 | Q1091-K1093 PolarHBondContact O-N 3.41Å; K1093-W1095 VanDerWaalsContact C-N 3.34Å; K1093-R1097 WeakPolarHBondContact O-CB 3.47Å; K1093-R1097 VanDerWaalsContact O-CG 3.24Å; K1093-R1097 WeakPolarHBondContact O-CG 3.45Å; K1093-R1097 PolarHBondContact O-N 3.1Å; K1093-R1097 VanDerWaalsContact O-N 3.16Å |
| 1094 | C | 56.1 | Low | 57.9 | Low | 8 Ų | 8 | 72 Ų | 72 | 5% | 0.054 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.5 | -33 | 177.4 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | I1086 Q1091 W1092 L1098 | I1086-C1094 HydrophobicContact CD1-CB 3.96Å; I1086-C1094 HydrophobicContact CG1-CB 3.87Å; I1086-C1094 HydrophobicContact CG2-CB 4.09Å; Q1091-C1094 WeakPolarHBondContact O-CB 3.46Å; Q1091-C1094 PolarHBondContact O-N 3.28Å; W1092-C1094 PolarHBondContact O-N 3.26Å; W1092-C1094 VanDerWaalsContact O-N 3.15Å; C1094-L1098 WeakPolarHBondContact O-CB 3.32Å; C1094-L1098 PolarHBondContact O-N 3.34Å |
| 1095 | W | 57.1 | Low | 57.5 | Low | 13 Ų | 13 | 64.4 Ų | 64.4 | 5% | 0.049 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.2 | -45 | 176.7 | -73.5 | 102.4 | 0 | 0 | 0 | 112.1 | L1083 I1086 V1087 W1092 K1093 R1097 L1098 Y1099 L1155 L1158 W1159 | L1083-W1095 HydrophobicContact CD2-CZ3 4.45Å; I1086-W1095 HydrophobicContact CG2-CD2 3.84Å; I1086-W1095 VanDerWaalsContact CG2-CE2 3.45Å; I1086-W1095 HydrophobicContact CG2-CG 4.08Å; I1086-W1095 HydrophobicContact CG2-CZ2 3.88Å; V1087-W1095 HydrophobicContact CG2-CH2 4.4Å; V1087-W1095 HydrophobicContact CG2-CZ2 4.1Å; W1092-W1095 PolarHBondContact O-N 3.26Å; K1093-W1095 VanDerWaalsContact C-N 3.34Å; W1095-R1097 VanDerWaalsContact C-N 3.27Å; W1095-R1097 PolarHBondContact O-N 3Å; W1095-L1098 HydrophobicContact CE3-CD2 3.94Å; W1095-L1098 HydrophobicContact CZ3-CD2 4.06Å; W1095-L1098 WeakPolarHBondContact O-CB 3.31Å; W1095-L1098 PolarHBondContact O-N 3.25Å; W1095-Y1099 WeakPolarHBondContact O-CD2 3.19Å; W1095-Y1099 PolarHBondContact O-N 2.89Å; W1095-L1155 HydrophobicContact CH2-CD2 4Å; W1095-L1155 HydrophobicContact CZ3-CB 4.46Å; W1095-L1155 HydrophobicContact CZ3-CD2 3.68Å; W1095-L1158 HydrophobicContact CH2-CB 4Å; W1095-L1158 HydrophobicContact CZ2-CB 4.27Å; W1095-W1159 AromaticContact CG-CD1 3.86Å |
| 1096 | E | 56.7 | Low | 57 | Low | 70 Ų | 70 | 63.9 Ų | 63.9 | 33% | 0.327 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56 | -45.2 | 173.8 | -172.3 | -167.3 | 167.3 | 0 | 0 | 110.8 | Y1099 F1100 | E1096-Y1099 PolarHBondContact O-N 3.29Å; E1096-F1100 WeakPolarHBondContact O-CB 3.22Å; E1096-F1100 PolarHBondContact O-N 3.15Å |
| 1097 | R | 58.8 | Low | 56.5 | Low | 50 Ų | 50 | 71.1 Ų | 71.1 | 19% | 0.189 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69 | -35.5 | 179.6 | -69.9 | 173.8 | -178.6 | -176.8 | -6.9 | 112.8 | T1039 V1040 K1093 W1095 F1100 L1101 | T1039-R1097 PolarHBondContact O-NH1 3.34Å; V1040-R1097 VanDerWaalsContact C-NH1 3.31Å; V1040-R1097 PolarHBondContact O-NH1 3.1Å; K1093-R1097 WeakPolarHBondContact O-CB 3.47Å; K1093-R1097 VanDerWaalsContact O-CG 3.24Å; K1093-R1097 WeakPolarHBondContact O-CG 3.45Å; K1093-R1097 PolarHBondContact O-N 3.1Å; K1093-R1097 VanDerWaalsContact O-N 3.16Å; W1095-R1097 VanDerWaalsContact C-N 3.27Å; W1095-R1097 PolarHBondContact O-N 3Å; R1097-F1100 PolarHBondContact O-N 3.27Å; R1097-L1101 VanDerWaalsContact O-CB 3.24Å; R1097-L1101 WeakPolarHBondContact O-CB 2.92Å; R1097-L1101 PolarHBondContact O-N 2.85Å |
| 1098 | L | 60.1 | Low | 56.2 | Low | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.3 | -51.1 | 172.1 | 176.9 | 91.9 | 0 | 0 | 0 | 110.7 | F1082 L1083 I1086 C1094 W1095 F1100 L1101 L1102 L1155 | F1082-L1098 HydrophobicContact CD1-CD1 3.42Å; F1082-L1098 VanDerWaalsContact CD1-CD1 3.42Å; F1082-L1098 HydrophobicContact CE1-CB 4.19Å; F1082-L1098 HydrophobicContact CE1-CD1 3.39Å; F1082-L1098 HydrophobicContact CE1-CG 4.4Å; L1083-L1098 HydrophobicContact CD2-CD1 3.83Å; L1083-L1098 HydrophobicContact CD2-CD2 3.59Å; L1083-L1098 HydrophobicContact CD2-CG 4.39Å; I1086-L1098 HydrophobicContact CD1-CB 4.13Å; I1086-L1098 HydrophobicContact CD1-CD1 4.23Å; C1094-L1098 WeakPolarHBondContact O-CB 3.32Å; C1094-L1098 PolarHBondContact O-N 3.34Å; W1095-L1098 HydrophobicContact CE3-CD2 3.94Å; W1095-L1098 HydrophobicContact CZ3-CD2 4.06Å; W1095-L1098 WeakPolarHBondContact O-CB 3.31Å; W1095-L1098 PolarHBondContact O-N 3.25Å; L1098-F1100 VanDerWaalsContact C-N 3.31Å; L1098-F1100 PolarHBondContact O-N 3.5Å; L1098-L1101 PolarHBondContact O-N 3.46Å; L1098-L1102 HydrophobicContact CD2-CD1 4.31Å; L1098-L1102 HydrophobicContact CG-CD1 4.01Å; L1098-L1102 WeakPolarHBondContact O-CB 3.36Å; L1098-L1102 WeakPolarHBondContact O-CG 3.44Å; L1098-L1102 PolarHBondContact O-N 3.4Å; L1098-L1155 HydrophobicContact CD2-CD2 4.49Å |
| 1099 | Y | 61.6 | Low | 55.6 | Low | 85 Ų | 85 | 65.8 Ų | 65.8 | 33% | 0.333 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 178.4 | -87.8 | -75.6 | 0 | 0 | 0 | 111.5 | W1095 E1096 L1102 Y1103 | W1095-Y1099 WeakPolarHBondContact O-CD2 3.19Å; W1095-Y1099 PolarHBondContact O-N 2.89Å; E1096-Y1099 PolarHBondContact O-N 3.29Å; Y1099-L1102 PolarHBondContact O-N 2.95Å; Y1099-Y1103 VanDerWaalsContact O-CB 3.23Å; Y1099-Y1103 WeakPolarHBondContact O-CB 3.47Å; Y1099-Y1103 PolarHBondContact O-N 3.06Å |
| 1100 | F | 60.3 | Low | 55.4 | Low | 79 Ų | 79 | 66 Ų | 66 | 35% | 0.346 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 175.4 | -173.7 | -100.2 | 0 | 0 | 0 | 112.8 | E1096 R1097 L1098 K1104 | E1096-F1100 WeakPolarHBondContact O-CB 3.22Å; E1096-F1100 PolarHBondContact O-N 3.15Å; R1097-F1100 PolarHBondContact O-N 3.27Å; L1098-F1100 VanDerWaalsContact C-N 3.31Å; L1098-F1100 PolarHBondContact O-N 3.5Å; F1100-K1104 HydrophobicContact CD1-CD 4.44Å; F1100-K1104 HydrophobicContact CE1-CD 3.75Å; F1100-K1104 HydrophobicContact CE1-CG 4.26Å; F1100-K1104 HydrophobicContact CZ-CD 4.05Å; F1100-K1104 VanDerWaalsContact CZ-CE 3.45Å; F1100-K1104 HydrophobicContact CZ-CG 4.4Å; F1100-K1104 WeakPolarHBondContact O-CB 3.35Å; F1100-K1104 PolarHBondContact O-N 2.8Å |
| 1101 | L | 61.2 | Low | 55.1 | Low | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.9 | -46.2 | 176.6 | 179.5 | 114.5 | 0 | 0 | 0 | 111.3 | F1035 A1038 L1049 R1097 L1098 Y1103 K1104 L1105 | F1035-L1101 HydrophobicContact CD1-CD1 3.93Å; F1035-L1101 HydrophobicContact CD1-CD2 3.38Å; F1035-L1101 HydrophobicContact CD1-CG 4.27Å; F1035-L1101 HydrophobicContact CE1-CD1 4.29Å; F1035-L1101 HydrophobicContact CE1-CD2 3.43Å; F1035-L1101 VanDerWaalsContact CE1-CD2 3.43Å; F1035-L1101 HydrophobicContact CE1-CG 4.35Å; F1035-L1101 HydrophobicContact CG-CD2 4.24Å; F1035-L1101 HydrophobicContact CZ-CD2 4.29Å; A1038-L1101 HydrophobicContact CB-CD1 3.79Å; L1049-L1101 HydrophobicContact CD1-CD1 4.22Å; R1097-L1101 VanDerWaalsContact O-CB 3.24Å; R1097-L1101 WeakPolarHBondContact O-CB 2.92Å; R1097-L1101 PolarHBondContact O-N 2.85Å; L1098-L1101 PolarHBondContact O-N 3.46Å; L1101-Y1103 VanDerWaalsContact C-N 3.34Å; L1101-Y1103 PolarHBondContact O-N 2.91Å; L1101-K1104 PolarHBondContact O-N 3.25Å; L1101-L1105 HydrophobicContact CD2-CD1 3.89Å; L1101-L1105 HydrophobicContact CG-CD1 4.09Å; L1101-L1105 WeakPolarHBondContact O-CB 3.11Å; L1101-L1105 VanDerWaalsContact O-CG 3.31Å; L1101-L1105 WeakPolarHBondContact O-CG 3.31Å; L1101-L1105 PolarHBondContact O-N 3.15Å |
| 1102 | L | 61.2 | Low | 54.6 | Low | 37 Ų | 37 | 58.1 Ų | 58.1 | 19% | 0.194 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 174.5 | -75.6 | 168.8 | 0 | 0 | 0 | 111.3 | I1079 L1098 Y1099 L1105 L1106 L1111 | I1079-L1102 HydrophobicContact CD1-CD2 4.49Å; L1098-L1102 HydrophobicContact CD2-CD1 4.31Å; L1098-L1102 HydrophobicContact CG-CD1 4.01Å; L1098-L1102 WeakPolarHBondContact O-CB 3.36Å; L1098-L1102 WeakPolarHBondContact O-CG 3.44Å; L1098-L1102 PolarHBondContact O-N 3.4Å; Y1099-L1102 PolarHBondContact O-N 2.95Å; L1102-L1105 PolarHBondContact O-N 2.99Å; L1102-L1106 WeakPolarHBondContact O-CB 3.25Å; L1102-L1106 PolarHBondContact O-N 3.24Å; L1102-L1111 HydrophobicContact CD2-CD1 3.78Å |
| 1103 | Y | 57.1 | Low | 54 | Low | 129 Ų | 129 | 56.9 Ų | 56.9 | 51% | 0.506 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 175.6 | 177 | -99.1 | 0 | 0 | 0 | 112 | Y1099 L1101 L1106 K1107 | Y1099-Y1103 VanDerWaalsContact O-CB 3.23Å; Y1099-Y1103 WeakPolarHBondContact O-CB 3.47Å; Y1099-Y1103 PolarHBondContact O-N 3.06Å; L1101-Y1103 VanDerWaalsContact C-N 3.34Å; L1101-Y1103 PolarHBondContact O-N 2.91Å; Y1103-L1106 WeakPolarHBondContact O-CB 3.45Å; Y1103-L1106 PolarHBondContact O-N 2.83Å; Y1103-K1107 HydrophobicContact CE1-CD 3.92Å; Y1103-K1107 VanDerWaalsContact O-CB 3.29Å; Y1103-K1107 WeakPolarHBondContact O-CB 3.22Å; Y1103-K1107 PolarHBondContact O-N 2.78Å; Y1103-K1107 PolarHBondContact OH-NZ 3.3Å |
| 1104 | K | 55.1 | Low | 53.2 | Low | 55 Ų | 55 | 55.6 Ų | 55.6 | 24% | 0.239 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.9 | -36.8 | 176.3 | -86.1 | -161.2 | 169.2 | -177.9 | 0 | 113.2 | S1046 L1049 F1100 L1101 L1106 K1107 A1108 | S1046-K1104 PolarHBondContact OG-NZ 3.04Å; L1049-K1104 HydrophobicContact CD1-CB 3.79Å; L1049-K1104 HydrophobicContact CD1-CD 3.71Å; L1049-K1104 HydrophobicContact CD1-CG 4.37Å; L1049-K1104 HydrophobicContact CD2-CB 4.33Å; F1100-K1104 HydrophobicContact CD1-CD 4.44Å; F1100-K1104 HydrophobicContact CE1-CD 3.75Å; F1100-K1104 HydrophobicContact CE1-CG 4.26Å; F1100-K1104 HydrophobicContact CZ-CD 4.05Å; F1100-K1104 VanDerWaalsContact CZ-CE 3.45Å; F1100-K1104 HydrophobicContact CZ-CG 4.4Å; F1100-K1104 WeakPolarHBondContact O-CB 3.35Å; F1100-K1104 PolarHBondContact O-N 2.8Å; L1101-K1104 PolarHBondContact O-N 3.25Å; K1104-L1106 VanDerWaalsContact C-N 3.34Å; K1104-K1107 PolarHBondContact O-N 2.86Å; K1104-A1108 WeakPolarHBondContact O-CB 3.29Å; K1104-A1108 PolarHBondContact O-N 3.4Å |
| 1105 | L | 55.8 | Low | 52.2 | Low | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 174 | -73.3 | 169.3 | 0 | 0 | 0 | 111.5 | F1035 L1049 L1101 L1102 G1109 V1110 L1111 | F1035-L1105 HydrophobicContact CE1-CD1 4.31Å; L1049-L1105 HydrophobicContact CD2-CD2 3.84Å; L1049-L1105 HydrophobicContact CD2-CG 4.16Å; L1101-L1105 HydrophobicContact CD2-CD1 3.89Å; L1101-L1105 HydrophobicContact CG-CD1 4.09Å; L1101-L1105 WeakPolarHBondContact O-CB 3.11Å; L1101-L1105 VanDerWaalsContact O-CG 3.31Å; L1101-L1105 WeakPolarHBondContact O-CG 3.31Å; L1101-L1105 PolarHBondContact O-N 3.15Å; L1102-L1105 PolarHBondContact O-N 2.99Å; L1105-G1109 PolarHBondContact O-N 3.36Å; L1105-V1110 HydrophobicContact CD2-CB 4.02Å; L1105-V1110 HydrophobicContact CD2-CG1 3.97Å; L1105-V1110 HydrophobicContact CD2-CG2 4.41Å; L1105-V1110 PolarHBondContact O-N 3.15Å; L1105-L1111 HydrophobicContact CB-CB 4.43Å; L1105-L1111 HydrophobicContact CB-CD1 3.67Å; L1105-L1111 HydrophobicContact CB-CG 4.11Å; L1105-L1111 HydrophobicContact CD1-CD1 4.13Å; L1105-L1111 PolarHBondContact O-N 3.37Å |
| 1106 | L | 55.6 | Low | 51.1 | Low | 69 Ų | 69 | 63 Ų | 63 | 36% | 0.361 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.1 | -49.5 | 170.9 | -97.3 | 152.8 | 0 | 0 | 0 | 111.6 | L1102 Y1103 K1104 A1108 G1109 L1111 Y1113 | L1102-L1106 WeakPolarHBondContact O-CB 3.25Å; L1102-L1106 PolarHBondContact O-N 3.24Å; Y1103-L1106 WeakPolarHBondContact O-CB 3.45Å; Y1103-L1106 PolarHBondContact O-N 2.83Å; K1104-L1106 VanDerWaalsContact C-N 3.34Å; L1106-A1108 VanDerWaalsContact C-N 3.26Å; L1106-A1108 PolarHBondContact O-N 2.94Å; L1106-G1109 PolarHBondContact O-N 2.88Å; L1106-G1109 VanDerWaalsContact O-N 3.08Å; L1106-L1111 WeakPolarHBondContact CA-O 3.49Å; L1106-L1111 WeakPolarHBondContact CD2-O 3.44Å; L1106-L1111 HydrophobicContact CG-CB 4.06Å; L1106-Y1113 HydrophobicContact CD1-CE2 4.28Å; L1106-Y1113 HydrophobicContact CD2-CD2 3.7Å; L1106-Y1113 HydrophobicContact CD2-CE2 4.29Å |
| 1107 | K | 51.4 | Low | 49.8 | Very low | 158 Ų | 158 | 67 Ų | 67 | 69% | 0.687 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.2 | -26.3 | -179.4 | -159.3 | 172.8 | -172.8 | 169.8 | 0 | 113.1 | Y1103 K1104 G1109 | Y1103-K1107 HydrophobicContact CE1-CD 3.92Å; Y1103-K1107 VanDerWaalsContact O-CB 3.29Å; Y1103-K1107 WeakPolarHBondContact O-CB 3.22Å; Y1103-K1107 PolarHBondContact O-N 2.78Å; Y1103-K1107 PolarHBondContact OH-NZ 3.3Å; K1104-K1107 PolarHBondContact O-N 2.86Å; K1107-G1109 VanDerWaalsContact C-N 3.3Å |
| 1108 | A | 49.6 | Very low | 48.4 | Very low | 41 Ų | 41 | 72.1 Ų | 72.1 | 34% | 0.339 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -0.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1053 K1104 L1106 V1110 | I1053-A1108 HydrophobicContact CD1-CB 3.62Å; I1053-A1108 HydrophobicContact CG1-CB 3.98Å; K1104-A1108 WeakPolarHBondContact O-CB 3.29Å; K1104-A1108 PolarHBondContact O-N 3.4Å; L1106-A1108 VanDerWaalsContact C-N 3.26Å; L1106-A1108 PolarHBondContact O-N 2.94Å; A1108-V1110 HydrophobicContact CB-CG2 4.02Å; A1108-V1110 PolarHBondContact O-N 3.44Å |
| 1109 | G | 44.5 | Very low | 47 | Very low | 48 Ų | 48 | 78.5 Ų | 78.5 | 50% | 0.495 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 8.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1105 L1106 K1107 | L1105-G1109 PolarHBondContact O-N 3.36Å; L1106-G1109 PolarHBondContact O-N 2.88Å; L1106-G1109 VanDerWaalsContact O-N 3.08Å; K1107-G1109 VanDerWaalsContact C-N 3.3Å |
| 1110 | V | 49.1 | Very low | 45.4 | Very low | 45 Ų | 45 | 79.2 Ų | 79.2 | 27% | 0.273 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -76.4 | -35.4 | 177.4 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | L1105 A1108 | L1105-V1110 HydrophobicContact CD2-CB 4.02Å; L1105-V1110 HydrophobicContact CD2-CG1 3.97Å; L1105-V1110 HydrophobicContact CD2-CG2 4.41Å; L1105-V1110 PolarHBondContact O-N 3.15Å; A1108-V1110 HydrophobicContact CB-CG2 4.02Å; A1108-V1110 PolarHBondContact O-N 3.44Å |
| 1111 | L | 44.6 | Very low | 43.8 | Very low | 25 Ų | 25 | 82.8 Ų | 82.8 | 13% | 0.131 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -107.7 | 120.3 | 166.9 | -77.8 | 168.1 | 0 | 0 | 0 | 108.3 | L1075 L1102 L1105 L1106 | L1075-L1111 HydrophobicContact CD2-CD2 3.82Å; L1102-L1111 HydrophobicContact CD2-CD1 3.78Å; L1105-L1111 HydrophobicContact CB-CB 4.43Å; L1105-L1111 HydrophobicContact CB-CD1 3.67Å; L1105-L1111 HydrophobicContact CB-CG 4.11Å; L1105-L1111 HydrophobicContact CD1-CD1 4.13Å; L1105-L1111 PolarHBondContact O-N 3.37Å; L1106-L1111 WeakPolarHBondContact CA-O 3.49Å; L1106-L1111 WeakPolarHBondContact CD2-O 3.44Å; L1106-L1111 HydrophobicContact CG-CB 4.06Å |
| 1112 | V | 43.8 | Very low | 42.1 | Very low | 84 Ų | 84 | 89 Ų | 89 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | trans | -112.4 | 122.4 | 174.6 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | W1139 | V1112-W1139 PolarHBondContact O-NE1 3.47Š| ||
| 1113 | Y | 40.6 | Very low | 40.5 | Very low | 63 Ų | 63 | 95.4 Ų | 95.4 | 25% | 0.247 | 52% | 0.521 | C | S | . | . | trans | -57.5 | 140.4 | 166.7 | -107 | -86.4 | 0 | 0 | 0 | 108.1 | L1106 V1115 L1148 | L1106-Y1113 HydrophobicContact CD1-CE2 4.28Å; L1106-Y1113 HydrophobicContact CD2-CD2 3.7Å; L1106-Y1113 HydrophobicContact CD2-CE2 4.29Å; Y1113-V1115 PolarHBondContact O-N 2.83Å; Y1113-L1148 HydrophobicContact CD1-CD2 4.31Å; Y1113-L1148 HydrophobicContact CE1-CD2 3.95Å | ||
| 1114 | P | 38 | Very low | 39 | Very low | 86 Ų | 86 | 97 Ų | 97 | 56% | 0.558 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -71.3 | 41.3 | 179.9 | 29.5 | -34.7 | 0 | 0 | 0 | 113.5 | ||
| 1115 | V | 34.2 | Very low | 37.7 | Very low | 75 Ų | 75 | 100 Ų | 100 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -108.5 | 117.9 | 170.2 | -174.1 | 0 | 0 | 0 | 0 | 106.9 | Y1113 N1117 | Y1113-V1115 PolarHBondContact O-N 2.83Å; V1115-N1117 PolarHBondContact O-N 3.36Å |
| 1116 | P | 34.5 | Very low | 36.3 | Very low | 103 Ų | 103 | 106.5 Ų | 106.5 | 67% | 0.669 | 59% | 0.591 | S | S | * | * | trans | -62.8 | 121.5 | 176.8 | 22.4 | -26.5 | 0 | 0 | 0 | 109 | L1118 | P1116-L1118 VanDerWaalsContact C-N 3.34Å; P1116-L1118 PolarHBondContact O-N 2.89Å | ||
| 1117 | N | 28.4 | Very low | 34.8 | Very low | 154 Ų | 154 | 110.1 Ų | 110.1 | 82% | 0.824 | 61% | 0.611 | S | S | * | * | trans | -61.8 | 94.3 | 170.3 | -90.1 | -10.9 | 0 | 0 | 0 | 109.2 | V1115 | V1115-N1117 PolarHBondContact O-N 3.36Š| ||
| 1118 | L | 30 | Very low | 33.7 | Very low | 157 Ų | 157 | 109.9 Ų | 109.9 | 82% | 0.822 | 62% | 0.617 | S | S | * | * | trans | -99.5 | 70.6 | 157.7 | -87.4 | 151.2 | 0 | 0 | 0 | 107.5 | P1116 | P1116-L1118 VanDerWaalsContact C-N 3.34Å; P1116-L1118 PolarHBondContact O-N 2.89Å | ||
| 1119 | I | 30.7 | Very low | 32.6 | Very low | 138 Ų | 138 | 113.7 Ų | 113.7 | 71% | 0.708 | 64% | 0.636 | S | S | * | * | trans | -123.7 | 94 | 159 | -58.4 | 177.5 | 0 | 0 | 0 | 105.4 | D1121 | I1119-D1121 PolarHBondContact O-N 3.19Š| ||
| 1120 | S | 27.2 | Very low | 31.7 | Very low | 100 Ų | 100 | 117.8 Ų | 117.8 | 70% | 0.699 | 65% | 0.654 | S | S | * | * | trans | -67.8 | 107.3 | 162 | 51.9 | 0 | 0 | 0 | 0 | 108.1 | N1122 | S1120-N1122 PolarHBondContact O-N 2.71Š| ||
| 1121 | D | 26.7 | Very low | 30.7 | Very low | 153 Ų | 153 | 119.7 Ų | 119.7 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | trans | -66 | 104.4 | 156.1 | -78.6 | -27.7 | 0 | 0 | 0 | 107.9 | I1119 | I1119-D1121 PolarHBondContact O-N 3.19Š| ||
| 1122 | N | 27.2 | Very low | 29.9 | Very low | 139 Ų | 139 | 129.1 Ų | 129.1 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | trans | -94.6 | 133.3 | 158.9 | -88.9 | -19.9 | 0 | 0 | 0 | 107.4 | S1120 | S1120-N1122 PolarHBondContact O-N 2.71Š| ||
| 1123 | Q | 27.5 | Very low | 29.3 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | 78.4 | 124.2 | 177.8 | -52.4 | 174.7 | -32.7 | 0 | 0 | 112.8 | ||||
| 1124 | E | 25.3 | Very low | 28.7 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | cis | -174.5 | 122.8 | 11.6 | -112.4 | 170.5 | -157.7 | 0 | 0 | 99.9 | ||||
| 1125 | T | 27.5 | Very low | 28.3 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | 174 | 138.1 | 64.8 | 43.5 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 1126 | N | 26 | Very low | 28.2 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | trans | 44.1 | 127.6 | 146.8 | -62 | -9 | 0 | 0 | 0 | 121.5 | ||||
| 1127 | D | 24.7 | Very low | 28.1 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 78% | 0.781 | 72% | 0.721 | S | S | * | * | trans | 91.6 | 116.2 | 155.8 | -57.6 | -20.5 | 0 | 0 | 0 | 117.9 | ||||
| 1128 | N | 27.8 | Very low | 28.4 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | trans | 91.1 | 78.9 | 169.7 | -50.7 | -31.4 | 0 | 0 | 0 | 116.1 | ||||
| 1129 | T | 26.3 | Very low | 28.9 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 74% | 0.742 | 67% | 0.674 | S | S | * | * | trans | -22.7 | 115.7 | 156.9 | 45.4 | 0 | 0 | 0 | 0 | 115.2 | S1131 | T1129-S1131 PolarHBondContact O-N 3.41Š| ||
| 1130 | P | 25.3 | Very low | 29.3 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 87% | 0.87 | 67% | 0.666 | S | S | * | * | trans | -93 | 84.4 | 170.6 | 34.9 | -27.1 | 0 | 0 | 0 | 109 | ||||
| 1131 | S | 28.6 | Very low | 29.7 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 59% | 0.594 | 67% | 0.67 | S | S | * | * | trans | -106.7 | 122.6 | 176 | 61.2 | 0 | 0 | 0 | 0 | 111.4 | T1129 | T1129-S1131 PolarHBondContact O-N 3.41Š| ||
| 1132 | R | 28.6 | Very low | 30.1 | Very low | 224 Ų | 224 | 126.1 Ų | 126.1 | 85% | 0.845 | 64% | 0.641 | S | S | * | * | trans | 83.4 | 71.8 | 167.8 | -57.6 | 179 | 176 | 169.9 | -1.3 | 116.7 | F1134 | R1132-F1134 PolarHBondContact O-N 2.97Å; R1132-F1134 VanDerWaalsContact O-N 3.16Å | ||
| 1133 | L | 29.6 | Very low | 30.2 | Very low | 148 Ų | 148 | 123.8 Ų | 123.8 | 78% | 0.775 | 64% | 0.635 | S | S | * | * | trans | -67.5 | 102.4 | 156.6 | -92.4 | 145.5 | 0 | 0 | 0 | 109 | L1063 | L1063-L1133 HydrophobicContact CD1-CD2 3.92Š| ||
| 1134 | F | 28 | Very low | 30.5 | Very low | 150 Ų | 150 | 119.8 Ų | 119.8 | 66% | 0.658 | 64% | 0.64 | S | S | * | * | trans | -66.6 | 129.6 | 169.7 | -100.1 | -89.7 | 0 | 0 | 0 | 110.5 | R1132 L1136 | R1132-F1134 PolarHBondContact O-N 2.97Å; R1132-F1134 VanDerWaalsContact O-N 3.16Å; F1134-L1136 PolarHBondContact O-N 3.41Å | ||
| 1135 | Y | 30.6 | Very low | 31.2 | Very low | 203 Ų | 203 | 116.4 Ų | 116.4 | 80% | 0.796 | 63% | 0.634 | S | S | * | * | trans | -64 | 121.4 | 177.1 | -58.2 | -89.9 | 0 | 0 | 0 | 111.9 | ||||
| 1136 | L | 30.9 | Very low | 31.7 | Very low | 80 Ų | 80 | 113.5 Ų | 113.5 | 42% | 0.419 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -84.7 | -20.7 | 166.1 | -115 | 156 | 0 | 0 | 0 | 112.1 | I1070 F1134 | I1070-L1136 HydrophobicContact CB-CD2 4.34Å; F1134-L1136 PolarHBondContact O-N 3.41Å |
| 1137 | L | 32.5 | Very low | 32.8 | Very low | 33 Ų | 33 | 109.2 Ų | 109.2 | 17% | 0.173 | 59% | 0.588 | C | S | . | * | trans | -133.9 | 103.5 | 176.9 | -96.8 | 140.9 | 0 | 0 | 0 | 109.1 | W1139 L1142 | L1137-W1139 HydrophobicContact CB-CD2 4.4Å; L1137-W1139 HydrophobicContact CB-CG 4.34Å; L1137-W1139 HydrophobicContact CD1-CH2 4.47Å; L1137-W1139 HydrophobicContact CD1-CZ2 3.8Å; L1137-W1139 HydrophobicContact CD2-CD2 3.82Å; L1137-W1139 HydrophobicContact CD2-CE3 4.01Å; L1137-W1139 HydrophobicContact CD2-CG 4.45Å; L1137-W1139 HydrophobicContact CD2-CH2 3.99Å; L1137-W1139 HydrophobicContact CD2-CZ2 3.81Å; L1137-W1139 HydrophobicContact CD2-CZ3 4.09Å; L1137-W1139 HydrophobicContact CG-CZ2 4.26Å; L1137-W1139 PolarHBondContact O-N 3.28Å; L1137-W1139 VanDerWaalsContact O-N 3.13Å; L1137-L1142 HydrophobicContact CD2-CD1 4.17Å | ||
| 1138 | D | 35.9 | Very low | 33.7 | Very low | 83 Ų | 83 | 104.4 Ų | 104.4 | 44% | 0.444 | 56% | 0.562 | S | S | . | * | trans | -77.5 | 84.9 | 157.7 | -173.4 | 11 | 0 | 0 | 0 | 107.5 | S1140 K1141 | D1138-S1140 PolarHBondContact O-N 2.83Å; D1138-S1140 VanDerWaalsContact O-N 3.14Å; D1138-S1140 VanDerWaalsContact OD1-CB 3.25Å; D1138-S1140 WeakPolarHBondContact OD1-CB 3.5Å; D1138-S1140 PolarHBondContact OD1-N 3.13Å; D1138-S1140 PolarHBondContact OD1-OG 3.13Å; D1138-S1140 PolarHBondContact OD2-OG 3.4Å; D1138-K1141 PolarHBondContact O-N 2.8Å | ||
| 1139 | W | 40.4 | Very low | 34.6 | Very low | 56 Ų | 56 | 99.9 Ų | 99.9 | 21% | 0.212 | 54% | 0.535 | C | S | . | . | G | 310 helix | trans | -59.8 | -19 | 178.2 | -71.9 | 105.1 | 0 | 0 | 0 | 112.2 | V1112 L1137 K1141 L1142 C1143 | V1112-W1139 PolarHBondContact O-NE1 3.47Å; L1137-W1139 HydrophobicContact CB-CD2 4.4Å; L1137-W1139 HydrophobicContact CB-CG 4.34Å; L1137-W1139 HydrophobicContact CD1-CH2 4.47Å; L1137-W1139 HydrophobicContact CD1-CZ2 3.8Å; L1137-W1139 HydrophobicContact CD2-CD2 3.82Å; L1137-W1139 HydrophobicContact CD2-CE3 4.01Å; L1137-W1139 HydrophobicContact CD2-CG 4.45Å; L1137-W1139 HydrophobicContact CD2-CH2 3.99Å; L1137-W1139 HydrophobicContact CD2-CZ2 3.81Å; L1137-W1139 HydrophobicContact CD2-CZ3 4.09Å; L1137-W1139 HydrophobicContact CG-CZ2 4.26Å; L1137-W1139 PolarHBondContact O-N 3.28Å; L1137-W1139 VanDerWaalsContact O-N 3.13Å; W1139-K1141 PolarHBondContact O-N 3.19Å; W1139-K1141 VanDerWaalsContact O-N 3.15Å; W1139-L1142 HydrophobicContact CE3-CB 4.49Å; W1139-L1142 HydrophobicContact CE3-CD1 4.41Å; W1139-L1142 HydrophobicContact CZ3-CD1 4.48Å; W1139-L1142 PolarHBondContact O-N 2.98Å; W1139-C1143 PolarHBondContact O-N 3.47Å; W1139-C1143 VanDerWaalsContact O-N 3.14Å |
| 1140 | S | 38 | Very low | 35.7 | Very low | 78 Ų | 78 | 97 Ų | 97 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -57.9 | -28.5 | 176.6 | 77.5 | 0 | 0 | 0 | 0 | 112.5 | D1138 | D1138-S1140 PolarHBondContact O-N 2.83Å; D1138-S1140 VanDerWaalsContact O-N 3.14Å; D1138-S1140 VanDerWaalsContact OD1-CB 3.25Å; D1138-S1140 WeakPolarHBondContact OD1-CB 3.5Å; D1138-S1140 PolarHBondContact OD1-N 3.13Å; D1138-S1140 PolarHBondContact OD1-OG 3.13Å; D1138-S1140 PolarHBondContact OD2-OG 3.4Å |
| 1141 | K | 35.6 | Very low | 36.9 | Very low | 177 Ų | 177 | 92.7 Ų | 92.7 | 77% | 0.77 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -81.9 | -15.1 | 177 | -66.7 | -174.3 | -177.4 | 178.3 | 0 | 114.7 | D1138 W1139 | D1138-K1141 PolarHBondContact O-N 2.8Å; W1139-K1141 PolarHBondContact O-N 3.19Å; W1139-K1141 VanDerWaalsContact O-N 3.15Å |
| 1142 | L | 36.1 | Very low | 37.9 | Very low | 41 Ų | 41 | 90.4 Ų | 90.4 | 22% | 0.215 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -3.6 | 178.3 | -78.2 | 164 | 0 | 0 | 0 | 113 | L1137 W1139 G1144 S1145 | L1137-L1142 HydrophobicContact CD2-CD1 4.17Å; W1139-L1142 HydrophobicContact CE3-CB 4.49Å; W1139-L1142 HydrophobicContact CE3-CD1 4.41Å; W1139-L1142 HydrophobicContact CZ3-CD1 4.48Å; W1139-L1142 PolarHBondContact O-N 2.98Å; L1142-G1144 PolarHBondContact O-N 2.91Å; L1142-S1145 PolarHBondContact O-N 2.78Å; L1142-S1145 VanDerWaalsContact O-N 3.09Å; L1142-S1145 PolarHBondContact O-OG 3.33Å |
| 1143 | C | 29.8 | Very low | 38.9 | Very low | 90 Ų | 90 | 80.5 Ų | 80.5 | 61% | 0.608 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 105.1 | 168.5 | -83.8 | 0 | 0 | 0 | 0 | 110.2 | W1139 | W1139-C1143 PolarHBondContact O-N 3.47Å; W1139-C1143 VanDerWaalsContact O-N 3.14Å |
| 1144 | G | 33.7 | Very low | 40 | Very low | 88 Ų | 88 | 77.5 Ų | 77.5 | 91% | 0.907 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.7 | -13 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | L1142 | L1142-G1144 PolarHBondContact O-N 2.91Š|
| 1145 | S | 39.9 | Very low | 41.3 | Very low | 90 Ų | 90 | 70.9 Ų | 70.9 | 63% | 0.629 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.9 | -16.2 | -173.6 | 53.8 | 0 | 0 | 0 | 0 | 116.2 | L1142 | L1142-S1145 PolarHBondContact O-N 2.78Å; L1142-S1145 VanDerWaalsContact O-N 3.09Å; L1142-S1145 PolarHBondContact O-OG 3.33Å |
| 1146 | F | 37.2 | Very low | 42.5 | Very low | 57 Ų | 57 | 62.4 Ų | 62.4 | 25% | 0.25 | 36% | 0.358 | C | S | . | . | trans | -131.1 | 93.2 | 179.5 | -143.2 | -95.7 | 0 | 0 | 0 | 110.2 | I1076 L1148 L1151 | I1076-F1146 HydrophobicContact CB-CE2 4.45Å; I1076-F1146 HydrophobicContact CB-CZ 4.31Å; I1076-F1146 HydrophobicContact CD1-CD1 4.28Å; I1076-F1146 HydrophobicContact CD1-CD2 4.03Å; I1076-F1146 HydrophobicContact CD1-CE1 4.19Å; I1076-F1146 HydrophobicContact CD1-CE2 3.96Å; I1076-F1146 HydrophobicContact CD1-CG 4.19Å; I1076-F1146 HydrophobicContact CD1-CZ 4.04Å; I1076-F1146 HydrophobicContact CG1-CE1 4.18Å; I1076-F1146 HydrophobicContact CG1-CE2 4.23Å; I1076-F1146 HydrophobicContact CG1-CZ 3.91Å; I1076-F1146 HydrophobicContact CG2-CD2 4.38Å; I1076-F1146 HydrophobicContact CG2-CE2 3.39Å; I1076-F1146 HydrophobicContact CG2-CZ 3.48Å; I1076-F1146 VanDerWaalsContact CG2-CZ 3.48Å; F1146-L1148 PolarHBondContact O-N 3.2Å; F1146-L1151 HydrophobicContact CE1-CD2 4.39Å | ||
| 1147 | D | 49.2 | Very low | 43.5 | Very low | 57 Ų | 57 | 59.8 Ų | 59.8 | 31% | 0.305 | 35% | 0.345 | S | S | . | . | trans | -85.1 | 92.1 | 177.7 | -162 | -8.2 | 0 | 0 | 0 | 108.7 | F1149 T1150 L1151 | D1147-F1149 PolarHBondContact O-N 2.69Å; D1147-F1149 WeakPolarHBondContact OD1-CB 3.47Å; D1147-F1149 PolarHBondContact OD1-N 3.21Å; D1147-T1150 VanDerWaalsContact CB-OG1 3.29Å; D1147-T1150 WeakPolarHBondContact CB-OG1 3.49Å; D1147-T1150 WeakPolarHBondContact O-CA 3.49Å; D1147-T1150 WeakPolarHBondContact O-CB 3.29Å; D1147-T1150 PolarHBondContact O-N 2.73Å; D1147-T1150 PolarHBondContact OD2-OG1 2.86Å; D1147-L1151 PolarHBondContact O-N 3.29Å | ||
| 1148 | L | 42.8 | Very low | 44.5 | Very low | 45 Ų | 45 | 61.7 Ų | 61.7 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.1 | -33.6 | -179.7 | -164.9 | 85 | 0 | 0 | 0 | 110.9 | Y1113 F1146 L1151 T1152 | Y1113-L1148 HydrophobicContact CD1-CD2 4.31Å; Y1113-L1148 HydrophobicContact CE1-CD2 3.95Å; F1146-L1148 PolarHBondContact O-N 3.2Å; L1148-L1151 WeakPolarHBondContact O-CB 3.46Å; L1148-L1151 PolarHBondContact O-N 3.43Å; L1148-T1152 PolarHBondContact O-N 3.06Å; L1148-T1152 PolarHBondContact O-OG1 3.19Å |
| 1149 | F | 47.5 | Very low | 45.5 | Very low | 57 Ų | 57 | 59.8 Ų | 59.8 | 25% | 0.25 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 175.4 | -90 | -64.6 | 0 | 0 | 0 | 111.9 | D1147 T1152 S1153 L1208 L1259 L1263 | D1147-F1149 PolarHBondContact O-N 2.69Å; D1147-F1149 WeakPolarHBondContact OD1-CB 3.47Å; D1147-F1149 PolarHBondContact OD1-N 3.21Å; F1149-T1152 VanDerWaalsContact CA-OG1 3.27Å; F1149-T1152 WeakPolarHBondContact CA-OG1 3.17Å; F1149-T1152 PolarHBondContact O-N 3.39Å; F1149-T1152 PolarHBondContact O-OG1 3.17Å; F1149-S1153 WeakPolarHBondContact O-CB 3.35Å; F1149-S1153 PolarHBondContact O-N 2.96Å; F1149-L1208 HydrophobicContact CE1-CD2 3.67Å; F1149-L1208 HydrophobicContact CZ-CD2 4.17Å; F1149-L1259 HydrophobicContact CB-CD2 3.34Å; F1149-L1259 HydrophobicContact CD2-CD2 3.77Å; F1149-L1259 HydrophobicContact CG-CD2 3.68Å; F1149-L1263 HydrophobicContact CB-CD1 3.81Å; F1149-L1263 HydrophobicContact CD1-CD1 3.28Å; F1149-L1263 HydrophobicContact CE1-CD1 4.11Å; F1149-L1263 HydrophobicContact CG-CD1 3.81Å |
| 1150 | T | 49.9 | Very low | 46.1 | Very low | 61 Ų | 61 | 57.8 Ų | 57.8 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 174.2 | -49 | 0 | 0 | 0 | 0 | 111.3 | D1147 T1152 S1153 D1154 | D1147-T1150 VanDerWaalsContact CB-OG1 3.29Å; D1147-T1150 WeakPolarHBondContact CB-OG1 3.49Å; D1147-T1150 WeakPolarHBondContact O-CA 3.49Å; D1147-T1150 WeakPolarHBondContact O-CB 3.29Å; D1147-T1150 PolarHBondContact O-N 2.73Å; D1147-T1150 PolarHBondContact OD2-OG1 2.86Å; T1150-T1152 PolarHBondContact O-N 3.5Å; T1150-S1153 WeakPolarHBondContact O-CB 3.47Å; T1150-S1153 PolarHBondContact O-N 2.9Å; T1150-D1154 WeakPolarHBondContact O-CB 3.49Å; T1150-D1154 PolarHBondContact O-N 2.93Å |
| 1151 | L | 50.1 | Low | 46.7 | Very low | 43 Ų | 43 | 59.4 Ų | 59.4 | 23% | 0.225 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 172.2 | -171.5 | 87.8 | 0 | 0 | 0 | 111.4 | F1146 D1147 L1148 S1153 D1154 L1155 | F1146-L1151 HydrophobicContact CE1-CD2 4.39Å; D1147-L1151 PolarHBondContact O-N 3.29Å; L1148-L1151 WeakPolarHBondContact O-CB 3.46Å; L1148-L1151 PolarHBondContact O-N 3.43Å; L1151-S1153 VanDerWaalsContact C-N 3.32Å; L1151-S1153 PolarHBondContact O-N 3.34Å; L1151-D1154 PolarHBondContact O-N 2.81Å; L1151-L1155 HydrophobicContact CD2-CD1 4.23Å; L1151-L1155 HydrophobicContact CG-CD1 4.07Å; L1151-L1155 WeakPolarHBondContact O-CB 3.17Å; L1151-L1155 WeakPolarHBondContact O-CG 3.34Å; L1151-L1155 PolarHBondContact O-N 3.35Å |
| 1152 | T | 49.8 | Very low | 47.4 | Very low | 37 Ų | 37 | 52.4 Ų | 52.4 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.6 | -35.9 | 176.4 | 43.1 | 0 | 0 | 0 | 0 | 112.6 | L1148 F1149 T1150 F1156 | L1148-T1152 PolarHBondContact O-N 3.06Å; L1148-T1152 PolarHBondContact O-OG1 3.19Å; F1149-T1152 VanDerWaalsContact CA-OG1 3.27Å; F1149-T1152 WeakPolarHBondContact CA-OG1 3.17Å; F1149-T1152 PolarHBondContact O-N 3.39Å; F1149-T1152 PolarHBondContact O-OG1 3.17Å; T1150-T1152 PolarHBondContact O-N 3.5Å; T1152-F1156 WeakPolarHBondContact O-CB 3.37Å; T1152-F1156 PolarHBondContact O-N 3.17Å |
| 1153 | S | 48.9 | Very low | 48.1 | Very low | 16 Ų | 16 | 53 Ų | 53 | 11% | 0.112 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 173.8 | -164.3 | 0 | 0 | 0 | 0 | 111.8 | F1149 T1150 L1151 F1156 N1157 Q1266 | F1149-S1153 WeakPolarHBondContact O-CB 3.35Å; F1149-S1153 PolarHBondContact O-N 2.96Å; T1150-S1153 WeakPolarHBondContact O-CB 3.47Å; T1150-S1153 PolarHBondContact O-N 2.9Å; L1151-S1153 VanDerWaalsContact C-N 3.32Å; L1151-S1153 PolarHBondContact O-N 3.34Å; S1153-F1156 PolarHBondContact O-N 3.24Å; S1153-N1157 WeakPolarHBondContact O-CB 3.5Å; S1153-N1157 VanDerWaalsContact O-CG 3.22Å; S1153-N1157 PolarHBondContact O-N 3.44Å; S1153-N1157 PolarHBondContact O-ND2 3.49Å; S1153-Q1266 PolarHBondContact OG-OE1 3.28Å |
| 1154 | D | 52.8 | Low | 49 | Very low | 85 Ų | 85 | 53.1 Ų | 53.1 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 179.6 | -73.8 | -20.1 | 0 | 0 | 0 | 111.6 | T1150 L1151 N1157 L1158 | T1150-D1154 WeakPolarHBondContact O-CB 3.49Å; T1150-D1154 PolarHBondContact O-N 2.93Å; L1151-D1154 PolarHBondContact O-N 2.81Å; D1154-N1157 PolarHBondContact O-N 3.01Å; D1154-L1158 WeakPolarHBondContact O-CB 3.4Å; D1154-L1158 PolarHBondContact O-N 3.49Å |
| 1155 | L | 55 | Low | 49.7 | Very low | 12 Ų | 12 | 54.4 Ų | 54.4 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 172.9 | -71.7 | 169.9 | 0 | 0 | 0 | 111.7 | L1083 W1095 L1098 L1151 L1158 W1159 | L1083-L1155 HydrophobicContact CD1-CD1 4.48Å; L1083-L1155 HydrophobicContact CD1-CD2 3.72Å; L1083-L1155 HydrophobicContact CD2-CD2 3.21Å; L1083-L1155 HydrophobicContact CG-CD2 4.03Å; W1095-L1155 HydrophobicContact CH2-CD2 4Å; W1095-L1155 HydrophobicContact CZ3-CB 4.46Å; W1095-L1155 HydrophobicContact CZ3-CD2 3.68Å; L1098-L1155 HydrophobicContact CD2-CD2 4.49Å; L1151-L1155 HydrophobicContact CD2-CD1 4.23Å; L1151-L1155 HydrophobicContact CG-CD1 4.07Å; L1151-L1155 WeakPolarHBondContact O-CB 3.17Å; L1151-L1155 WeakPolarHBondContact O-CG 3.34Å; L1151-L1155 PolarHBondContact O-N 3.35Å; L1155-L1158 PolarHBondContact O-N 3.49Å; L1155-W1159 WeakPolarHBondContact O-CB 3.25Å; L1155-W1159 PolarHBondContact O-N 2.96Å |
| 1156 | F | 55.7 | Low | 49.9 | Very low | 24 Ų | 24 | 52.6 Ų | 52.6 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64 | -41 | 175.7 | -175.6 | -101.2 | 0 | 0 | 0 | 111.8 | T1152 S1153 W1159 C1160 L1201 L1267 | T1152-F1156 WeakPolarHBondContact O-CB 3.37Å; T1152-F1156 PolarHBondContact O-N 3.17Å; S1153-F1156 PolarHBondContact O-N 3.24Å; F1156-W1159 PolarHBondContact O-N 2.66Å; F1156-C1160 VanDerWaalsContact CE1-SG 3.53Å; F1156-C1160 PolarHBondContact O-N 3.26Å; F1156-C1160 PolarHBondContact O-SG 3.04Å; F1156-L1201 HydrophobicContact CD2-CD2 4.26Å; F1156-L1201 HydrophobicContact CE2-CD1 4.17Å; F1156-L1201 HydrophobicContact CE2-CD2 3.61Å; F1156-L1201 HydrophobicContact CE2-CG 4.31Å; F1156-L1201 HydrophobicContact CZ-CD2 4.14Å; F1156-L1267 HydrophobicContact CD1-CD2 3.78Å; F1156-L1267 HydrophobicContact CD2-CD2 4.43Å; F1156-L1267 HydrophobicContact CE1-CD2 3.33Å; F1156-L1267 HydrophobicContact CE1-CG 4.44Å; F1156-L1267 HydrophobicContact CE2-CD2 4.07Å; F1156-L1267 HydrophobicContact CG-CD2 4.31Å; F1156-L1267 HydrophobicContact CZ-CD2 3.48Å; F1156-L1267 VanDerWaalsContact CZ-CD2 3.48Å |
| 1157 | N | 53.5 | Low | 50 | Low | 25 Ų | 25 | 54 Ų | 54 | 13% | 0.134 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 177.8 | -75.6 | -29.8 | 0 | 0 | 0 | 112.5 | S1153 D1154 W1159 C1160 M1161 R1270 | S1153-N1157 WeakPolarHBondContact O-CB 3.5Å; S1153-N1157 VanDerWaalsContact O-CG 3.22Å; S1153-N1157 PolarHBondContact O-N 3.44Å; S1153-N1157 PolarHBondContact O-ND2 3.49Å; D1154-N1157 PolarHBondContact O-N 3.01Å; N1157-W1159 VanDerWaalsContact C-N 3.31Å; N1157-C1160 PolarHBondContact O-N 2.87Å; N1157-M1161 PolarHBondContact O-N 3.23Å; N1157-R1270 WeakPolarHBondContact OD1-CD 3.25Å; N1157-R1270 PolarHBondContact OD1-NE 3.29Å; N1157-R1270 PolarHBondContact OD1-NH1 2.86Å |
| 1158 | L | 53.7 | Low | 49.5 | Very low | 73 Ų | 73 | 53.6 Ų | 53.6 | 38% | 0.382 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 174.5 | -86.7 | 159.6 | 0 | 0 | 0 | 111.6 | V1087 W1095 D1154 L1155 M1161 S1162 | V1087-L1158 HydrophobicContact CG1-CD2 3.96Å; V1087-L1158 HydrophobicContact CG2-CD1 3.97Å; V1087-L1158 HydrophobicContact CG2-CD2 3.95Å; V1087-L1158 HydrophobicContact CG2-CG 4.47Å; W1095-L1158 HydrophobicContact CH2-CB 4Å; W1095-L1158 HydrophobicContact CZ2-CB 4.27Å; D1154-L1158 WeakPolarHBondContact O-CB 3.4Å; D1154-L1158 PolarHBondContact O-N 3.49Å; L1155-L1158 PolarHBondContact O-N 3.49Å; L1158-M1161 PolarHBondContact O-N 3.45Å; L1158-S1162 PolarHBondContact O-N 2.84Å; L1158-S1162 VanDerWaalsContact O-N 3.15Å |
| 1159 | W | 56 | Low | 49.4 | Very low | 43 Ų | 43 | 59.8 Ų | 59.8 | 16% | 0.163 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.8 | -43.6 | 176.4 | -171.3 | 80.9 | 0 | 0 | 0 | 111.8 | W1095 L1155 F1156 N1157 M1161 S1162 L1163 L1197 | W1095-W1159 AromaticContact CG-CD1 3.86Å; L1155-W1159 WeakPolarHBondContact O-CB 3.25Å; L1155-W1159 PolarHBondContact O-N 2.96Å; F1156-W1159 PolarHBondContact O-N 2.66Å; N1157-W1159 VanDerWaalsContact C-N 3.31Å; W1159-M1161 VanDerWaalsContact C-N 3.33Å; W1159-M1161 PolarHBondContact O-N 3.39Å; W1159-S1162 WeakPolarHBondContact O-CB 3.44Å; W1159-S1162 PolarHBondContact O-N 3.01Å; W1159-S1162 VanDerWaalsContact O-N 3.09Å; W1159-S1162 PolarHBondContact O-OG 2.66Å; W1159-L1163 HydrophobicContact CE3-CD1 4.11Å; W1159-L1163 HydrophobicContact CH2-CD1 3.27Å; W1159-L1163 HydrophobicContact CH2-CG 4.21Å; W1159-L1163 HydrophobicContact CZ2-CD1 3.86Å; W1159-L1163 HydrophobicContact CZ2-CG 4.34Å; W1159-L1163 HydrophobicContact CZ3-CD1 3.41Å; W1159-L1163 VanDerWaalsContact CZ3-CD1 3.41Å; W1159-L1163 PolarHBondContact O-N 3.33Å; W1159-L1197 HydrophobicContact CD2-CD1 3.99Å; W1159-L1197 HydrophobicContact CE3-CD1 3.89Å; W1159-L1197 HydrophobicContact CE3-CD2 4.45Å; W1159-L1197 HydrophobicContact CH2-CB 4.5Å; W1159-L1197 HydrophobicContact CH2-CD1 3.12Å; W1159-L1197 HydrophobicContact CH2-CD2 3.23Å; W1159-L1197 HydrophobicContact CH2-CG 3.67Å; W1159-L1197 HydrophobicContact CZ2-CD1 3.23Å; W1159-L1197 HydrophobicContact CZ2-CD2 4.21Å; W1159-L1197 HydrophobicContact CZ2-CG 4.21Å; W1159-L1197 HydrophobicContact CZ3-CD1 3.47Å; W1159-L1197 VanDerWaalsContact CZ3-CD1 3.47Å; W1159-L1197 HydrophobicContact CZ3-CD2 3.38Å; W1159-L1197 HydrophobicContact CZ3-CG 3.98Å |
| 1160 | C | 53.4 | Low | 48.9 | Very low | 14 Ų | 14 | 62.2 Ų | 62.2 | 10% | 0.095 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.4 | -43.2 | 173.3 | -70.1 | 0 | 0 | 0 | 0 | 112.6 | F1156 N1157 S1162 L1163 E1164 | F1156-C1160 VanDerWaalsContact CE1-SG 3.53Å; F1156-C1160 PolarHBondContact O-N 3.26Å; F1156-C1160 PolarHBondContact O-SG 3.04Å; N1157-C1160 PolarHBondContact O-N 2.87Å; C1160-S1162 VanDerWaalsContact C-N 3.27Å; C1160-S1162 PolarHBondContact O-N 2.91Å; C1160-L1163 PolarHBondContact O-N 2.89Å; C1160-E1164 PolarHBondContact O-N 2.82Å |
| 1161 | M | 50.6 | Low | 48.1 | Very low | 113 Ų | 113 | 65.2 Ų | 65.2 | 56% | 0.557 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.8 | -31.3 | 177.1 | -74.5 | -153.6 | 178.8 | 0 | 0 | 112.9 | N1157 L1158 W1159 L1163 E1164 I1165 | N1157-M1161 PolarHBondContact O-N 3.23Å; L1158-M1161 PolarHBondContact O-N 3.45Å; W1159-M1161 VanDerWaalsContact C-N 3.33Å; W1159-M1161 PolarHBondContact O-N 3.39Å; M1161-L1163 VanDerWaalsContact C-N 3.25Å; M1161-L1163 PolarHBondContact O-N 3.3Å; M1161-E1164 PolarHBondContact O-N 3.22Å; M1161-I1165 WeakPolarHBondContact O-CG1 3.37Å |
| 1162 | S | 50 | Low | 47.1 | Very low | 29 Ų | 29 | 70.4 Ų | 70.4 | 20% | 0.203 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.9 | -25.3 | 177.4 | 74.3 | 0 | 0 | 0 | 0 | 113.4 | L1158 W1159 C1160 | L1158-S1162 PolarHBondContact O-N 2.84Å; L1158-S1162 VanDerWaalsContact O-N 3.15Å; W1159-S1162 WeakPolarHBondContact O-CB 3.44Å; W1159-S1162 PolarHBondContact O-N 3.01Å; W1159-S1162 VanDerWaalsContact O-N 3.09Å; W1159-S1162 PolarHBondContact O-OG 2.66Å; C1160-S1162 VanDerWaalsContact C-N 3.27Å; C1160-S1162 PolarHBondContact O-N 2.91Å |
| 1163 | L | 51.1 | Low | 46.1 | Very low | 55 Ų | 55 | 74.6 Ų | 74.6 | 29% | 0.288 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -77.3 | -37.5 | 174.2 | -79.5 | 171.6 | 0 | 0 | 0 | 113.3 | W1092 W1159 C1160 M1161 I1165 L1166 L1275 | W1092-L1163 HydrophobicContact CH2-CD2 4.19Å; W1092-L1163 HydrophobicContact CZ3-CD2 4.16Å; W1159-L1163 HydrophobicContact CE3-CD1 4.11Å; W1159-L1163 HydrophobicContact CH2-CD1 3.27Å; W1159-L1163 HydrophobicContact CH2-CG 4.21Å; W1159-L1163 HydrophobicContact CZ2-CD1 3.86Å; W1159-L1163 HydrophobicContact CZ2-CG 4.34Å; W1159-L1163 HydrophobicContact CZ3-CD1 3.41Å; W1159-L1163 VanDerWaalsContact CZ3-CD1 3.41Å; W1159-L1163 PolarHBondContact O-N 3.33Å; C1160-L1163 PolarHBondContact O-N 2.89Å; M1161-L1163 VanDerWaalsContact C-N 3.25Å; M1161-L1163 PolarHBondContact O-N 3.3Å; L1163-I1165 VanDerWaalsContact C-N 3.31Å; L1163-I1165 PolarHBondContact O-N 3.4Å; L1163-L1166 PolarHBondContact O-N 3.15Å; L1163-L1275 HydrophobicContact CD1-CD2 4.06Å |
| 1164 | E | 49.3 | Very low | 45.2 | Very low | 91 Ų | 91 | 78.5 Ų | 78.5 | 43% | 0.425 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.8 | -35 | -179.7 | -78.6 | -178.3 | 167.6 | 0 | 0 | 112.3 | C1160 M1161 L1166 S1167 N1274 | C1160-E1164 PolarHBondContact O-N 2.82Å; M1161-E1164 PolarHBondContact O-N 3.22Å; E1164-L1166 VanDerWaalsContact C-N 3.27Å; E1164-L1166 PolarHBondContact O-N 3.14Å; E1164-S1167 PolarHBondContact O-N 3.2Å; E1164-S1167 PolarHBondContact O-OG 2.84Å; E1164-N1274 PolarHBondContact OE1-ND2 3.07Å |
| 1165 | I | 47 | Very low | 44.1 | Very low | 116 Ų | 116 | 83.8 Ų | 83.8 | 60% | 0.595 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -64.3 | -25.8 | -175.8 | -65.8 | 168.2 | 0 | 0 | 0 | 113 | M1161 L1163 S1167 | M1161-I1165 WeakPolarHBondContact O-CG1 3.37Å; L1163-I1165 VanDerWaalsContact C-N 3.31Å; L1163-I1165 PolarHBondContact O-N 3.4Å; I1165-S1167 VanDerWaalsContact C-N 3.34Å; I1165-S1167 PolarHBondContact O-N 2.81Å |
| 1166 | L | 43.7 | Very low | 42.9 | Very low | 52 Ų | 52 | 88.5 Ų | 88.5 | 27% | 0.272 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -80.8 | -12.4 | -175.7 | -135.6 | 90.8 | 0 | 0 | 0 | 114.3 | W1092 L1163 E1164 G1168 | W1092-L1166 HydrophobicContact CH2-CB 4.04Å; W1092-L1166 HydrophobicContact CH2-CD1 4.01Å; W1092-L1166 HydrophobicContact CH2-CD2 3.79Å; W1092-L1166 HydrophobicContact CH2-CG 4.13Å; W1092-L1166 HydrophobicContact CZ2-CB 4.03Å; W1092-L1166 HydrophobicContact CZ2-CD1 3.37Å; W1092-L1166 HydrophobicContact CZ2-CD2 4.03Å; W1092-L1166 HydrophobicContact CZ2-CG 3.98Å; L1163-L1166 PolarHBondContact O-N 3.15Å; E1164-L1166 VanDerWaalsContact C-N 3.27Å; E1164-L1166 PolarHBondContact O-N 3.14Å; L1166-G1168 PolarHBondContact O-N 2.98Å |
| 1167 | S | 39.9 | Very low | 41.7 | Very low | 85 Ų | 85 | 93.7 Ų | 93.7 | 59% | 0.594 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -63.9 | -28.6 | 177.6 | 61.6 | 0 | 0 | 0 | 0 | 112.9 | E1164 I1165 | E1164-S1167 PolarHBondContact O-N 3.2Å; E1164-S1167 PolarHBondContact O-OG 2.84Å; I1165-S1167 VanDerWaalsContact C-N 3.34Å; I1165-S1167 PolarHBondContact O-N 2.81Å |
| 1168 | G | 38.4 | Very low | 40.5 | Very low | 49 Ų | 49 | 99.9 Ų | 99.9 | 51% | 0.505 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -75.9 | -27.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1166 | L1166-G1168 PolarHBondContact O-N 2.98Š|
| 1169 | Q | 41 | Very low | 39.4 | Very low | 175 Ų | 175 | 102.9 Ų | 102.9 | 82% | 0.818 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -87 | -6.3 | -176.9 | -75.7 | -174.5 | -24.7 | 0 | 0 | 114.1 | L1171 | Q1169-L1171 VanDerWaalsContact C-N 3.34Š|
| 1170 | L | 36.9 | Very low | 38.2 | Very low | 108 Ų | 108 | 105.6 Ų | 105.6 | 57% | 0.565 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -89.2 | 7 | 179.2 | -114.4 | 119.5 | 0 | 0 | 0 | 114 | ||
| 1171 | L | 33.5 | Very low | 37.2 | Very low | 125 Ų | 125 | 113.4 Ų | 113.4 | 65% | 0.654 | 63% | 0.634 | S | S | * | * | trans | -96.5 | 2.8 | -162.8 | -98.1 | 152.9 | 0 | 0 | 0 | 117.2 | Q1169 | Q1169-L1171 VanDerWaalsContact C-N 3.34Š| ||
| 1172 | N | 29 | Very low | 36.5 | Very low | 152 Ų | 152 | 113.4 Ų | 113.4 | 81% | 0.813 | 64% | 0.636 | S | S | * | * | trans | -120.2 | 105.6 | 175 | -89.4 | -11.6 | 0 | 0 | 0 | 113.4 | ||||
| 1173 | P | 28.2 | Very low | 35.9 | Very low | 124 Ų | 124 | 119.6 Ų | 119.6 | 81% | 0.805 | 66% | 0.656 | S | S | * | * | trans | -96.8 | 88.4 | 175.6 | 35.3 | -26.4 | 0 | 0 | 0 | 110.4 | ||||
| 1174 | S | 30.8 | Very low | 35.2 | Very low | 98 Ų | 98 | 120.6 Ų | 120.6 | 69% | 0.685 | 67% | 0.667 | S | S | * | * | trans | -162.9 | 61.6 | 173.7 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1175 | Q | 29.8 | Very low | 34.5 | Very low | 196 Ų | 196 | 121.4 Ų | 121.4 | 92% | 0.916 | 68% | 0.675 | S | S | * | * | trans | -167.2 | 100 | 153 | -109.7 | 168.1 | 13.8 | 0 | 0 | 110.2 | ||||
| 1176 | P | 29.4 | Very low | 34.1 | Very low | 111 Ų | 111 | 122.8 Ų | 122.8 | 72% | 0.721 | 68% | 0.676 | S | S | * | * | trans | -97.9 | 127.8 | 169.5 | 33.6 | -23.4 | 0 | 0 | 0 | 109.6 | ||||
| 1177 | T | 29.6 | Very low | 33.6 | Very low | 133 Ų | 133 | 125 Ų | 125 | 82% | 0.816 | 69% | 0.688 | S | S | * | * | trans | -176 | 132.8 | 137.2 | 34.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1178 | N | 29 | Very low | 33.3 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 83% | 0.834 | 69% | 0.692 | S | S | * | * | trans | 73.3 | 64.7 | 171 | -60.2 | -6.7 | 0 | 0 | 0 | 117.1 | ||||
| 1179 | L | 30.3 | Very low | 33.4 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 71% | 0.707 | 69% | 0.694 | S | S | * | * | trans | -72 | 121.1 | 156.1 | -78.9 | 90.6 | 0 | 0 | 0 | 110 | Y1183 | L1179-Y1183 HydrophobicContact CD2-CD2 3.66Å; L1179-Y1183 HydrophobicContact CD2-CE2 3.81Å; L1179-Y1183 HydrophobicContact CD2-CG 4.33Å; L1179-Y1183 HydrophobicContact CG-CD2 4.3Å; L1179-Y1183 HydrophobicContact CG-CE2 4.23Å | ||
| 1180 | S | 30.7 | Very low | 33.5 | Very low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | trans | -135.1 | 131 | 160.5 | 61.7 | 0 | 0 | 0 | 0 | 110.3 | D1182 | S1180-D1182 VanDerWaalsContact C-N 3.32Å; S1180-D1182 PolarHBondContact O-N 3.22Å | ||
| 1181 | H | 33.5 | Very low | 33.6 | Very low | 178 Ų | 178 | 128.4 Ų | 128.4 | 82% | 0.824 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 48.5 | -20.6 | 167.9 | -70.7 | -61.3 | 0 | 0 | 0 | 123.8 | Y1183 S1184 | H1181-Y1183 PolarHBondContact O-N 2.55Å; H1181-S1184 PolarHBondContact O-OG 3.32Å |
| 1182 | D | 36.5 | Very low | 34.2 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 60% | 0.599 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -10.8 | -170.9 | -109.7 | -0.5 | 0 | 0 | 0 | 115.9 | S1180 | S1180-D1182 VanDerWaalsContact C-N 3.32Å; S1180-D1182 PolarHBondContact O-N 3.22Å |
| 1183 | Y | 36.5 | Very low | 35 | Very low | 160 Ų | 160 | 121.7 Ų | 121.7 | 63% | 0.627 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -76.3 | -23.1 | -176.7 | -96.2 | -87.8 | 0 | 0 | 0 | 114.4 | L1179 H1181 L1187 | L1179-Y1183 HydrophobicContact CD2-CD2 3.66Å; L1179-Y1183 HydrophobicContact CD2-CE2 3.81Å; L1179-Y1183 HydrophobicContact CD2-CG 4.33Å; L1179-Y1183 HydrophobicContact CG-CD2 4.3Å; L1179-Y1183 HydrophobicContact CG-CE2 4.23Å; H1181-Y1183 PolarHBondContact O-N 2.55Å; Y1183-L1187 PolarHBondContact O-N 3.4Å |
| 1184 | S | 35.3 | Very low | 36.1 | Very low | 76 Ų | 76 | 118.4 Ų | 118.4 | 53% | 0.531 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -71.1 | -39.8 | -180 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | H1181 L1187 Y1188 | H1181-S1184 PolarHBondContact O-OG 3.32Å; S1184-L1187 PolarHBondContact O-N 3.14Å; S1184-Y1188 PolarHBondContact O-N 3.26Å |
| 1185 | N | 36.5 | Very low | 36.9 | Very low | 108 Ų | 108 | 119.2 Ų | 119.2 | 58% | 0.578 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.2 | -32.5 | 179.5 | -79.1 | -16.7 | 0 | 0 | 0 | 112.8 | H1189 | N1185-H1189 PolarHBondContact O-N 3.44Å |
| 1186 | K | 37.6 | Very low | 37.9 | Very low | 144 Ų | 144 | 113.7 Ų | 113.7 | 63% | 0.626 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.2 | -32.6 | 176 | -79.1 | 178.5 | 178.4 | 169 | 0 | 113 | ||
| 1187 | L | 34.3 | Very low | 38.9 | Very low | 98 Ų | 98 | 109.8 Ų | 109.8 | 51% | 0.513 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -73.7 | -37.9 | 176.4 | -108.4 | 148.3 | 0 | 0 | 0 | 112.2 | Y1183 S1184 R1190 N1191 | Y1183-L1187 PolarHBondContact O-N 3.4Å; S1184-L1187 PolarHBondContact O-N 3.14Å; L1187-R1190 PolarHBondContact O-N 3.3Å; L1187-N1191 PolarHBondContact O-N 3.28Å |
| 1188 | Y | 33 | Very low | 40.1 | Very low | 177 Ų | 177 | 103.5 Ų | 103.5 | 69% | 0.694 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.1 | -42.9 | 178.2 | -138.1 | -88.6 | 0 | 0 | 0 | 112 | S1184 R1190 N1191 T1192 | S1184-Y1188 PolarHBondContact O-N 3.26Å; Y1188-R1190 PolarHBondContact O-N 3.01Å; Y1188-N1191 PolarHBondContact O-N 3.47Å; Y1188-T1192 PolarHBondContact O-N 2.93Å; Y1188-T1192 PolarHBondContact O-OG1 3.08Å |
| 1189 | H | 41 | Very low | 41.3 | Very low | 118 Ų | 118 | 99.6 Ų | 99.6 | 55% | 0.546 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 177.2 | -91.1 | -57.6 | 0 | 0 | 0 | 113 | N1185 N1191 T1192 E1193 | N1185-H1189 PolarHBondContact O-N 3.44Å; H1189-N1191 VanDerWaalsContact C-N 3.31Å; H1189-N1191 PolarHBondContact O-N 3.49Å; H1189-T1192 PolarHBondContact O-N 3.29Å; H1189-T1192 PolarHBondContact O-OG1 2.83Å; H1189-E1193 WeakPolarHBondContact O-CG 3.34Å; H1189-E1193 PolarHBondContact O-N 3.33Å |
| 1190 | R | 42.6 | Very low | 42.4 | Very low | 141 Ų | 141 | 95.3 Ų | 95.3 | 53% | 0.532 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.4 | -35.1 | 178 | -95.2 | -176.8 | 170.8 | 178.3 | -2.5 | 113.8 | L1187 Y1188 F1194 | L1187-R1190 PolarHBondContact O-N 3.3Å; Y1188-R1190 PolarHBondContact O-N 3.01Å; R1190-F1194 PolarHBondContact O-N 3.22Å |
| 1191 | N | 39.8 | Very low | 43.5 | Very low | 54 Ų | 54 | 91.1 Ų | 91.1 | 29% | 0.289 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72.1 | -37.9 | 179.9 | -76.1 | -16.2 | 0 | 0 | 0 | 112.4 | L1187 Y1188 H1189 E1193 F1194 Y1195 | L1187-N1191 PolarHBondContact O-N 3.28Å; Y1188-N1191 PolarHBondContact O-N 3.47Å; H1189-N1191 VanDerWaalsContact C-N 3.31Å; H1189-N1191 PolarHBondContact O-N 3.49Å; N1191-E1193 VanDerWaalsContact C-N 3.35Å; N1191-F1194 PolarHBondContact O-N 3.46Å; N1191-Y1195 PolarHBondContact O-N 2.82Å; N1191-Y1195 VanDerWaalsContact O-N 3.12Å |
| 1192 | T | 46 | Very low | 44.6 | Very low | 71 Ų | 71 | 83.1 Ų | 83.1 | 44% | 0.436 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 175 | -7.1 | 0 | 0 | 0 | 0 | 112.2 | Y1188 H1189 Y1195 I1196 | Y1188-T1192 PolarHBondContact O-N 2.93Å; Y1188-T1192 PolarHBondContact O-OG1 3.08Å; H1189-T1192 PolarHBondContact O-N 3.29Å; H1189-T1192 PolarHBondContact O-OG1 2.83Å; T1192-Y1195 WeakPolarHBondContact O-CB 3.36Å; T1192-Y1195 PolarHBondContact O-N 2.84Å; T1192-I1196 WeakPolarHBondContact O-CG1 3.36Å; T1192-I1196 PolarHBondContact O-N 2.83Å; T1192-I1196 VanDerWaalsContact O-N 3.1Å |
| 1193 | E | 45.3 | Very low | 45.5 | Very low | 64 Ų | 64 | 81.3 Ų | 81.3 | 30% | 0.299 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 178.2 | -71.4 | 173.5 | -179.6 | 0 | 0 | 111.8 | H1189 N1191 Y1195 L1197 | H1189-E1193 WeakPolarHBondContact O-CG 3.34Å; H1189-E1193 PolarHBondContact O-N 3.33Å; N1191-E1193 VanDerWaalsContact C-N 3.35Å; E1193-Y1195 VanDerWaalsContact C-N 3.34Å; E1193-L1197 PolarHBondContact O-N 3.35Å |
| 1194 | F | 50 | Low | 46.4 | Very low | 55 Ų | 55 | 76.2 Ų | 76.2 | 24% | 0.241 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.6 | -36.6 | 175.8 | -160.7 | -96.8 | 0 | 0 | 0 | 112.1 | R1190 N1191 L1197 C1198 L1279 V1289 L1293 | R1190-F1194 PolarHBondContact O-N 3.22Å; N1191-F1194 PolarHBondContact O-N 3.46Å; F1194-L1197 PolarHBondContact O-N 3.19Å; F1194-C1198 PolarHBondContact O-N 3.4Å; F1194-L1279 HydrophobicContact CE2-CD1 3.77Å; F1194-L1279 HydrophobicContact CE2-CD2 4.25Å; F1194-L1279 HydrophobicContact CZ-CD1 4.01Å; F1194-V1289 HydrophobicContact CD1-CG1 4.09Å; F1194-V1289 HydrophobicContact CE1-CG1 4.09Å; F1194-L1293 HydrophobicContact CE1-CD1 4.04Å; F1194-L1293 HydrophobicContact CZ-CD1 4.11Å |
| 1195 | Y | 49.1 | Very low | 47.5 | Very low | 116 Ų | 116 | 73.6 Ų | 73.6 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.5 | -48.8 | 177.1 | -177.2 | -93.2 | 0 | 0 | 0 | 112.9 | N1191 T1192 E1193 L1197 C1198 H1199 E1292 | N1191-Y1195 PolarHBondContact O-N 2.82Å; N1191-Y1195 VanDerWaalsContact O-N 3.12Å; T1192-Y1195 WeakPolarHBondContact O-CB 3.36Å; T1192-Y1195 PolarHBondContact O-N 2.84Å; E1193-Y1195 VanDerWaalsContact C-N 3.34Å; Y1195-L1197 PolarHBondContact O-N 3.27Å; Y1195-C1198 PolarHBondContact O-N 3.44Å; Y1195-H1199 PolarHBondContact O-N 2.87Å; Y1195-E1292 HydrophobicContact CD2-CG 3.73Å; Y1195-E1292 HydrophobicContact CE2-CG 3.62Å |
| 1196 | I | 51 | Low | 48.4 | Very low | 79 Ų | 79 | 71.6 Ų | 71.6 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.2 | -36.8 | 178.7 | -67.1 | 168.7 | 0 | 0 | 0 | 110.4 | T1192 S1200 | T1192-I1196 WeakPolarHBondContact O-CG1 3.36Å; T1192-I1196 PolarHBondContact O-N 2.83Å; T1192-I1196 VanDerWaalsContact O-N 3.1Å; I1196-S1200 WeakPolarHBondContact O-CB 3.45Å; I1196-S1200 PolarHBondContact O-N 3.39Å; I1196-S1200 PolarHBondContact O-OG 3.21Å |
| 1197 | L | 50.7 | Low | 49.2 | Very low | 30 Ų | 30 | 72.2 Ų | 72.2 | 16% | 0.157 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67 | -51.3 | 177.7 | -162.6 | 99.5 | 0 | 0 | 0 | 112.7 | W1159 E1193 F1194 Y1195 H1199 S1200 L1201 | W1159-L1197 HydrophobicContact CD2-CD1 3.99Å; W1159-L1197 HydrophobicContact CE3-CD1 3.89Å; W1159-L1197 HydrophobicContact CE3-CD2 4.45Å; W1159-L1197 HydrophobicContact CH2-CB 4.5Å; W1159-L1197 HydrophobicContact CH2-CD1 3.12Å; W1159-L1197 HydrophobicContact CH2-CD2 3.23Å; W1159-L1197 HydrophobicContact CH2-CG 3.67Å; W1159-L1197 HydrophobicContact CZ2-CD1 3.23Å; W1159-L1197 HydrophobicContact CZ2-CD2 4.21Å; W1159-L1197 HydrophobicContact CZ2-CG 4.21Å; W1159-L1197 HydrophobicContact CZ3-CD1 3.47Å; W1159-L1197 VanDerWaalsContact CZ3-CD1 3.47Å; W1159-L1197 HydrophobicContact CZ3-CD2 3.38Å; W1159-L1197 HydrophobicContact CZ3-CG 3.98Å; E1193-L1197 PolarHBondContact O-N 3.35Å; F1194-L1197 PolarHBondContact O-N 3.19Å; Y1195-L1197 PolarHBondContact O-N 3.27Å; L1197-H1199 PolarHBondContact O-N 3.38Å; L1197-S1200 WeakPolarHBondContact CA-OG 3.18Å; L1197-S1200 PolarHBondContact O-N 3.09Å; L1197-S1200 VanDerWaalsContact O-N 3.17Å; L1197-S1200 PolarHBondContact O-OG 3.42Å; L1197-L1201 HydrophobicContact CD2-CD1 3.73Å; L1197-L1201 HydrophobicContact CG-CD1 4.15Å; L1197-L1201 WeakPolarHBondContact O-CB 3.46Å; L1197-L1201 PolarHBondContact O-N 3.15Å |
| 1198 | C | 53 | Low | 50.2 | Low | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.2 | -39.2 | 177.2 | -74 | 0 | 0 | 0 | 0 | 111.3 | F1194 Y1195 C1202 E1292 | F1194-C1198 PolarHBondContact O-N 3.4Å; Y1195-C1198 PolarHBondContact O-N 3.44Å; C1198-C1202 WeakPolarHBondContact O-CB 3.44Å; C1198-C1202 PolarHBondContact O-N 3.37Å; C1198-C1202 PolarHBondContact O-SG 3.36Å; C1198-E1292 WeakPolarHBondContact CB-OE2 3.47Å |
| 1199 | H | 55.1 | Low | 51.1 | Low | 74 Ų | 74 | 61.3 Ų | 61.3 | 34% | 0.343 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.6 | -48.7 | 175.5 | -160.7 | -61.9 | 0 | 0 | 0 | 112.3 | Y1195 L1197 L1201 C1202 D1203 | Y1195-H1199 PolarHBondContact O-N 2.87Å; L1197-H1199 PolarHBondContact O-N 3.38Å; H1199-L1201 VanDerWaalsContact C-N 3.28Å; H1199-L1201 PolarHBondContact O-N 2.64Å; H1199-C1202 PolarHBondContact O-N 2.84Å; H1199-C1202 VanDerWaalsContact O-N 3.17Å; H1199-D1203 IonicContact CE1-OD1 3.76Å; H1199-D1203 IonicContact CE1-OD2 3.06Å; H1199-D1203 PolarHBondContact CE1-OD2 3.37Å; H1199-D1203 VanDerWaalsContact CE1-OD2 3.25Å; H1199-D1203 IonicContact ND1-OD1 3.87Å; H1199-D1203 IonicContact ND1-OD2 2.72Å; H1199-D1203 PolarHBondContact ND1-OD2 2.93Å; H1199-D1203 PolarHBondContact O-N 3.37Å |
| 1200 | S | 52.7 | Low | 51.8 | Low | 45 Ų | 45 | 57.8 Ų | 57.8 | 32% | 0.315 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -35 | 179.3 | 66.4 | 0 | 0 | 0 | 0 | 113 | I1196 L1197 D1203 L1204 | I1196-S1200 WeakPolarHBondContact O-CB 3.45Å; I1196-S1200 PolarHBondContact O-N 3.39Å; I1196-S1200 PolarHBondContact O-OG 3.21Å; L1197-S1200 WeakPolarHBondContact CA-OG 3.18Å; L1197-S1200 PolarHBondContact O-N 3.09Å; L1197-S1200 VanDerWaalsContact O-N 3.17Å; L1197-S1200 PolarHBondContact O-OG 3.42Å; S1200-D1203 PolarHBondContact O-N 3.26Å; S1200-L1204 WeakPolarHBondContact O-CB 3.49Å; S1200-L1204 PolarHBondContact O-N 3.32Å |
| 1201 | L | 55.1 | Low | 52.2 | Low | 12 Ų | 12 | 52.6 Ų | 52.6 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.2 | -41 | 174.2 | -82.8 | 166 | 0 | 0 | 0 | 111.9 | F1156 L1197 H1199 D1203 L1204 V1205 L1267 L1296 | F1156-L1201 HydrophobicContact CD2-CD2 4.26Å; F1156-L1201 HydrophobicContact CE2-CD1 4.17Å; F1156-L1201 HydrophobicContact CE2-CD2 3.61Å; F1156-L1201 HydrophobicContact CE2-CG 4.31Å; F1156-L1201 HydrophobicContact CZ-CD2 4.14Å; L1197-L1201 HydrophobicContact CD2-CD1 3.73Å; L1197-L1201 HydrophobicContact CG-CD1 4.15Å; L1197-L1201 WeakPolarHBondContact O-CB 3.46Å; L1197-L1201 PolarHBondContact O-N 3.15Å; H1199-L1201 VanDerWaalsContact C-N 3.28Å; H1199-L1201 PolarHBondContact O-N 2.64Å; L1201-D1203 VanDerWaalsContact C-N 3.32Å; L1201-D1203 PolarHBondContact O-N 2.95Å; L1201-L1204 PolarHBondContact O-N 2.83Å; L1201-V1205 WeakPolarHBondContact O-CB 3.4Å; L1201-V1205 WeakPolarHBondContact O-CG2 3.29Å; L1201-V1205 PolarHBondContact O-N 2.76Å; L1201-L1267 HydrophobicContact CD2-CD2 3.99Å; L1201-L1296 HydrophobicContact CB-CD1 4.1Å |
| 1202 | C | 56.2 | Low | 52.9 | Low | 11 Ų | 11 | 51.6 Ų | 51.6 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 173.7 | -72.1 | 0 | 0 | 0 | 0 | 111.5 | C1198 H1199 V1205 S1206 | C1198-C1202 WeakPolarHBondContact O-CB 3.44Å; C1198-C1202 PolarHBondContact O-N 3.37Å; C1198-C1202 PolarHBondContact O-SG 3.36Å; H1199-C1202 PolarHBondContact O-N 2.84Å; H1199-C1202 VanDerWaalsContact O-N 3.17Å; C1202-V1205 PolarHBondContact O-N 3.42Å; C1202-S1206 VanDerWaalsContact O-CB 3.29Å; C1202-S1206 WeakPolarHBondContact O-CB 3.22Å; C1202-S1206 PolarHBondContact O-N 2.96Å; C1202-S1206 PolarHBondContact O-OG 3.45Å |
| 1203 | D | 56.2 | Low | 53.3 | Low | 74 Ų | 74 | 51.5 Ų | 51.5 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 177.7 | -71 | -27 | 0 | 0 | 0 | 111.8 | H1199 S1200 L1201 V1205 S1206 Y1207 | H1199-D1203 IonicContact CE1-OD1 3.76Å; H1199-D1203 IonicContact CE1-OD2 3.06Å; H1199-D1203 PolarHBondContact CE1-OD2 3.37Å; H1199-D1203 VanDerWaalsContact CE1-OD2 3.25Å; H1199-D1203 IonicContact ND1-OD1 3.87Å; H1199-D1203 IonicContact ND1-OD2 2.72Å; H1199-D1203 PolarHBondContact ND1-OD2 2.93Å; H1199-D1203 PolarHBondContact O-N 3.37Å; S1200-D1203 PolarHBondContact O-N 3.26Å; L1201-D1203 VanDerWaalsContact C-N 3.32Å; L1201-D1203 PolarHBondContact O-N 2.95Å; D1203-V1205 PolarHBondContact O-N 3.01Å; D1203-S1206 PolarHBondContact O-N 3.49Å; D1203-Y1207 WeakPolarHBondContact O-CB 3.46Å; D1203-Y1207 PolarHBondContact O-N 2.88Å |
| 1204 | L | 55.4 | Low | 53.6 | Low | 53 Ų | 53 | 53.4 Ų | 53.4 | 28% | 0.277 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 175.4 | -170.3 | 87.5 | 0 | 0 | 0 | 111.2 | S1200 L1201 S1206 Y1207 L1208 L1267 | S1200-L1204 WeakPolarHBondContact O-CB 3.49Å; S1200-L1204 PolarHBondContact O-N 3.32Å; L1201-L1204 PolarHBondContact O-N 2.83Å; L1204-S1206 VanDerWaalsContact C-N 3.34Å; L1204-Y1207 PolarHBondContact O-N 3.19Å; L1204-L1208 HydrophobicContact CD2-CD1 4.31Å; L1204-L1208 HydrophobicContact CG-CD1 4.18Å; L1204-L1208 WeakPolarHBondContact O-CB 3.33Å; L1204-L1208 WeakPolarHBondContact O-CG 3.25Å; L1204-L1208 PolarHBondContact O-N 3.45Å; L1204-L1267 HydrophobicContact CD2-CD1 4.13Å |
| 1205 | V | 57 | Low | 53.6 | Low | 21 Ų | 21 | 53.5 Ų | 53.5 | 13% | 0.127 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 178 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | L1201 C1202 D1203 L1208 S1209 L1264 T1299 V1303 | L1201-V1205 WeakPolarHBondContact O-CB 3.4Å; L1201-V1205 WeakPolarHBondContact O-CG2 3.29Å; L1201-V1205 PolarHBondContact O-N 2.76Å; C1202-V1205 PolarHBondContact O-N 3.42Å; D1203-V1205 PolarHBondContact O-N 3.01Å; V1205-L1208 PolarHBondContact O-N 2.87Å; V1205-S1209 VanDerWaalsContact O-CB 3.29Å; V1205-S1209 WeakPolarHBondContact O-CB 3.47Å; V1205-S1209 PolarHBondContact O-N 3.24Å; V1205-L1264 HydrophobicContact CG2-CD2 4.49Å; V1205-T1299 HydrophobicContact CB-CG2 4.21Å; V1205-T1299 HydrophobicContact CG1-CG2 3.52Å; V1205-V1303 HydrophobicContact CG1-CG2 3.24Å |
| 1206 | S | 56.4 | Low | 53.7 | Low | 65 Ų | 65 | 50.2 Ų | 50.2 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 175.4 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | C1202 D1203 L1204 S1209 S1210 | C1202-S1206 VanDerWaalsContact O-CB 3.29Å; C1202-S1206 WeakPolarHBondContact O-CB 3.22Å; C1202-S1206 PolarHBondContact O-N 2.96Å; C1202-S1206 PolarHBondContact O-OG 3.45Å; D1203-S1206 PolarHBondContact O-N 3.49Å; L1204-S1206 VanDerWaalsContact C-N 3.34Å; S1206-S1209 PolarHBondContact O-N 3.35Å; S1206-S1210 WeakPolarHBondContact O-CB 3.29Å; S1206-S1210 PolarHBondContact O-N 3.34Å |
| 1207 | Y | 54 | Low | 53.3 | Low | 158 Ų | 158 | 52 Ų | 52 | 62% | 0.62 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.9 | -46.6 | 174.5 | -106.9 | -79.9 | 0 | 0 | 0 | 111.7 | D1203 L1204 S1209 S1210 V1211 | D1203-Y1207 WeakPolarHBondContact O-CB 3.46Å; D1203-Y1207 PolarHBondContact O-N 2.88Å; L1204-Y1207 PolarHBondContact O-N 3.19Å; Y1207-S1209 VanDerWaalsContact C-N 3.34Å; Y1207-S1209 PolarHBondContact O-N 2.89Å; Y1207-S1210 PolarHBondContact O-N 2.84Å; Y1207-S1210 PolarHBondContact O-OG 3.21Å; Y1207-V1211 VanDerWaalsContact O-CG2 3.27Å; Y1207-V1211 WeakPolarHBondContact O-CG2 3.36Å; Y1207-V1211 PolarHBondContact O-N 2.86Å |
| 1208 | L | 54 | Low | 53.2 | Low | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 176 | -78.6 | 164 | 0 | 0 | 0 | 111.8 | F1149 L1204 V1205 V1211 I1212 A1260 L1264 | F1149-L1208 HydrophobicContact CE1-CD2 3.67Å; F1149-L1208 HydrophobicContact CZ-CD2 4.17Å; L1204-L1208 HydrophobicContact CD2-CD1 4.31Å; L1204-L1208 HydrophobicContact CG-CD1 4.18Å; L1204-L1208 WeakPolarHBondContact O-CB 3.33Å; L1204-L1208 WeakPolarHBondContact O-CG 3.25Å; L1204-L1208 PolarHBondContact O-N 3.45Å; V1205-L1208 PolarHBondContact O-N 2.87Å; L1208-V1211 PolarHBondContact O-N 3.38Å; L1208-I1212 VanDerWaalsContact O-CG1 3.29Å; L1208-I1212 WeakPolarHBondContact O-CG1 3.4Å; L1208-I1212 PolarHBondContact O-N 3.04Å; L1208-A1260 HydrophobicContact CD2-CB 3.99Å; L1208-L1264 HydrophobicContact CB-CD1 4.42Å; L1208-L1264 HydrophobicContact CB-CD2 4.49Å; L1208-L1264 HydrophobicContact CD1-CD2 4.21Å; L1208-L1264 HydrophobicContact CD1-CG 4.31Å |
| 1209 | S | 53.6 | Low | 53 | Low | 39 Ų | 39 | 64.9 Ų | 64.9 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 174.7 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | V1205 S1206 Y1207 V1211 I1212 S1213 | V1205-S1209 VanDerWaalsContact O-CB 3.29Å; V1205-S1209 WeakPolarHBondContact O-CB 3.47Å; V1205-S1209 PolarHBondContact O-N 3.24Å; S1206-S1209 PolarHBondContact O-N 3.35Å; Y1207-S1209 VanDerWaalsContact C-N 3.34Å; Y1207-S1209 PolarHBondContact O-N 2.89Å; S1209-V1211 PolarHBondContact O-N 3.01Å; S1209-I1212 PolarHBondContact O-N 2.77Å; S1209-S1213 WeakPolarHBondContact O-CB 3.27Å; S1209-S1213 PolarHBondContact O-N 3.02Å |
| 1210 | S | 54.7 | Low | 52.4 | Low | 44 Ų | 44 | 64.4 Ų | 64.4 | 31% | 0.308 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 176.7 | 75.9 | 0 | 0 | 0 | 0 | 112.2 | S1206 Y1207 I1212 S1213 L1214 | S1206-S1210 WeakPolarHBondContact O-CB 3.29Å; S1206-S1210 PolarHBondContact O-N 3.34Å; Y1207-S1210 PolarHBondContact O-N 2.84Å; Y1207-S1210 PolarHBondContact O-OG 3.21Å; S1210-I1212 PolarHBondContact O-N 3.46Å; S1210-S1213 PolarHBondContact O-N 3.47Å; S1210-S1213 PolarHBondContact O-OG 3.25Å; S1210-L1214 WeakPolarHBondContact O-CB 3.45Å; S1210-L1214 PolarHBondContact O-N 3.38Å |
| 1211 | V | 51.2 | Low | 52 | Low | 33 Ų | 33 | 67.1 Ų | 67.1 | 20% | 0.2 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63 | -42.5 | 175.3 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | Y1207 L1208 S1209 S1213 H1215 | Y1207-V1211 VanDerWaalsContact O-CG2 3.27Å; Y1207-V1211 WeakPolarHBondContact O-CG2 3.36Å; Y1207-V1211 PolarHBondContact O-N 2.86Å; L1208-V1211 PolarHBondContact O-N 3.38Å; S1209-V1211 PolarHBondContact O-N 3.01Å; V1211-S1213 VanDerWaalsContact C-N 3.33Å; V1211-S1213 PolarHBondContact O-N 3.34Å; V1211-H1215 PolarHBondContact O-CD2 2.88Å; V1211-H1215 PolarHBondContact O-N 3.5Å |
| 1212 | I | 54 | Low | 51.7 | Low | 33 Ų | 33 | 72.1 Ų | 72.1 | 17% | 0.169 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 175.7 | -65.7 | 165.3 | 0 | 0 | 0 | 110.9 | L1208 S1209 S1210 H1215 A1260 L1264 I1306 | L1208-I1212 VanDerWaalsContact O-CG1 3.29Å; L1208-I1212 WeakPolarHBondContact O-CG1 3.4Å; L1208-I1212 PolarHBondContact O-N 3.04Å; S1209-I1212 PolarHBondContact O-N 2.77Å; S1210-I1212 PolarHBondContact O-N 3.46Å; I1212-H1215 PolarHBondContact O-N 3.3Å; I1212-A1260 HydrophobicContact CD1-CB 4.47Å; I1212-A1260 HydrophobicContact CG1-CB 4.38Å; I1212-L1264 HydrophobicContact CD1-CD1 3.58Å; I1212-I1306 HydrophobicContact CG2-CG2 4.38Å |
| 1213 | S | 54.3 | Low | 51.3 | Low | 69 Ų | 69 | 77.2 Ų | 77.2 | 48% | 0.483 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.5 | -39.5 | -180 | 79.6 | 0 | 0 | 0 | 0 | 113.6 | S1209 S1210 V1211 H1215 S1216 | S1209-S1213 WeakPolarHBondContact O-CB 3.27Å; S1209-S1213 PolarHBondContact O-N 3.02Å; S1210-S1213 PolarHBondContact O-N 3.47Å; S1210-S1213 PolarHBondContact O-OG 3.25Å; V1211-S1213 VanDerWaalsContact C-N 3.33Å; V1211-S1213 PolarHBondContact O-N 3.34Å; S1213-H1215 PolarHBondContact O-N 2.91Å; S1213-S1216 VanDerWaalsContact O-CB 3.29Å; S1213-S1216 WeakPolarHBondContact O-CB 3.43Å; S1213-S1216 PolarHBondContact O-N 2.89Å; S1213-S1216 VanDerWaalsContact O-N 3.13Å; S1213-S1216 PolarHBondContact O-OG 2.9Å |
| 1214 | L | 51.5 | Low | 50.6 | Low | 103 Ų | 103 | 78 Ų | 78 | 54% | 0.539 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.6 | -29.9 | 177.4 | -101.9 | 141.9 | 0 | 0 | 0 | 112 | S1210 S1216 | S1210-L1214 WeakPolarHBondContact O-CB 3.45Å; S1210-L1214 PolarHBondContact O-N 3.38Å; L1214-S1216 VanDerWaalsContact C-N 3.27Å; L1214-S1216 PolarHBondContact O-N 3.13Å |
| 1215 | H | 50.5 | Low | 50.1 | Low | 58 Ų | 58 | 81.2 Ų | 81.2 | 27% | 0.269 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 16.3 | 175.7 | -70.5 | -54 | 0 | 0 | 0 | 114 | V1211 I1212 S1213 | V1211-H1215 PolarHBondContact O-CD2 2.88Å; V1211-H1215 PolarHBondContact O-N 3.5Å; I1212-H1215 PolarHBondContact O-N 3.3Å; S1213-H1215 PolarHBondContact O-N 2.91Å |
| 1216 | S | 51.8 | Low | 49.6 | Very low | 47 Ų | 47 | 86.9 Ų | 86.9 | 33% | 0.329 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -70.4 | 136.3 | 166.4 | 65.8 | 0 | 0 | 0 | 0 | 110.3 | S1213 L1214 K1218 Y1219 | S1213-S1216 VanDerWaalsContact O-CB 3.29Å; S1213-S1216 WeakPolarHBondContact O-CB 3.43Å; S1213-S1216 PolarHBondContact O-N 2.89Å; S1213-S1216 VanDerWaalsContact O-N 3.13Å; S1213-S1216 PolarHBondContact O-OG 2.9Å; L1214-S1216 VanDerWaalsContact C-N 3.27Å; L1214-S1216 PolarHBondContact O-N 3.13Å; S1216-K1218 PolarHBondContact O-N 3.19Å; S1216-Y1219 PolarHBondContact O-N 3.48Å; S1216-Y1219 VanDerWaalsContact O-N 3.08Å |
| 1217 | T | 42.7 | Very low | 48.8 | Very low | 115 Ų | 115 | 91.4 Ų | 91.4 | 71% | 0.706 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -51.2 | -27.7 | -175.7 | 29.1 | 0 | 0 | 0 | 0 | 113.9 | Y1219 D1221 | T1217-Y1219 PolarHBondContact O-N 3.5Å; T1217-D1221 PolarHBondContact O-N 2.78Å |
| 1218 | K | 47.8 | Very low | 48.1 | Very low | 170 Ų | 170 | 92.2 Ų | 92.2 | 74% | 0.739 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.3 | -34.1 | 178.6 | -94.7 | -176.4 | 171.9 | -179.7 | 0 | 115.1 | S1216 | S1216-K1218 PolarHBondContact O-N 3.19Å |
| 1219 | Y | 48.6 | Very low | 47.3 | Very low | 133 Ų | 133 | 98.6 Ų | 98.6 | 52% | 0.522 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -84.4 | -29.8 | -177.7 | -99.7 | -80.7 | 0 | 0 | 0 | 112.5 | S1216 T1217 D1221 Q1222 I1223 | S1216-Y1219 PolarHBondContact O-N 3.48Å; S1216-Y1219 VanDerWaalsContact O-N 3.08Å; T1217-Y1219 PolarHBondContact O-N 3.5Å; Y1219-D1221 VanDerWaalsContact C-N 3.34Å; Y1219-Q1222 PolarHBondContact O-N 3.16Å; Y1219-I1223 WeakPolarHBondContact O-CG1 3.27Å; Y1219-I1223 PolarHBondContact O-N 3.5Å; Y1219-I1223 VanDerWaalsContact O-N 3.1Å |
| 1220 | I | 42.5 | Very low | 46.5 | Very low | 64 Ų | 64 | 104.8 Ų | 104.8 | 33% | 0.328 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.3 | -43.4 | 174.4 | -62.1 | 176.6 | 0 | 0 | 0 | 109.9 | Q1222 I1223 C1224 | I1220-Q1222 VanDerWaalsContact C-N 3.3Å; I1220-Q1222 PolarHBondContact O-N 2.94Å; I1220-I1223 PolarHBondContact O-N 2.95Å; I1220-C1224 WeakPolarHBondContact O-CB 3.39Å; I1220-C1224 PolarHBondContact O-N 3.1Å; I1220-C1224 PolarHBondContact O-SG 3.19Å; I1220-C1224 VanDerWaalsContact O-SG 3.33Å |
| 1221 | D | 44.4 | Very low | 45.5 | Very low | 102 Ų | 102 | 110.2 Ų | 110.2 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.6 | -29.6 | 176.8 | -71.4 | -21.7 | 0 | 0 | 0 | 113.2 | T1217 Y1219 N1225 | T1217-D1221 PolarHBondContact O-N 2.78Å; Y1219-D1221 VanDerWaalsContact C-N 3.34Å; D1221-N1225 VanDerWaalsContact O-CG 3.25Å; D1221-N1225 PolarHBondContact O-N 3.35Å; D1221-N1225 PolarHBondContact O-ND2 3.45Å |
| 1222 | Q | 49.3 | Very low | 44.8 | Very low | 116 Ų | 116 | 115.7 Ų | 115.7 | 54% | 0.542 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -75.4 | -35.6 | 175.7 | -84.7 | -176.1 | -24 | 0 | 0 | 113.1 | Y1219 I1220 | Y1219-Q1222 PolarHBondContact O-N 3.16Å; I1220-Q1222 VanDerWaalsContact C-N 3.3Å; I1220-Q1222 PolarHBondContact O-N 2.94Å |
| 1223 | I | 47.2 | Very low | 44 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 61% | 0.605 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.3 | -35.6 | 175.9 | -64.9 | 169.1 | 0 | 0 | 0 | 110.1 | Y1219 I1220 N1225 | Y1219-I1223 WeakPolarHBondContact O-CG1 3.27Å; Y1219-I1223 PolarHBondContact O-N 3.5Å; Y1219-I1223 VanDerWaalsContact O-N 3.1Å; I1220-I1223 PolarHBondContact O-N 2.95Å; I1223-N1225 VanDerWaalsContact C-N 3.32Å; I1223-N1225 PolarHBondContact O-N 3.27Å |
| 1224 | C | 42.7 | Very low | 42.8 | Very low | 91 Ų | 91 | 121.4 Ų | 121.4 | 62% | 0.615 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.7 | -19.7 | 177.3 | -71 | 0 | 0 | 0 | 0 | 114.8 | I1220 | I1220-C1224 WeakPolarHBondContact O-CB 3.39Å; I1220-C1224 PolarHBondContact O-N 3.1Å; I1220-C1224 PolarHBondContact O-SG 3.19Å; I1220-C1224 VanDerWaalsContact O-SG 3.33Å |
| 1225 | N | 45.2 | Very low | 41.7 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 65% | 0.647 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -7.1 | -174.8 | -77.7 | -31.1 | 0 | 0 | 0 | 115.1 | D1221 I1223 | D1221-N1225 VanDerWaalsContact O-CG 3.25Å; D1221-N1225 PolarHBondContact O-N 3.35Å; D1221-N1225 PolarHBondContact O-ND2 3.45Å; I1223-N1225 VanDerWaalsContact C-N 3.32Å; I1223-N1225 PolarHBondContact O-N 3.27Å |
| 1226 | N | 45.6 | Very low | 40.9 | Very low | 139 Ų | 139 | 128.4 Ų | 128.4 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -89.1 | -1 | -173.3 | -83.2 | -13.2 | 0 | 0 | 0 | 115.6 | ||
| 1227 | D | 40.2 | Very low | 40 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 86% | 0.856 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -87.5 | 1.9 | -178.3 | -88 | -18.4 | 0 | 0 | 0 | 115.5 | ||
| 1228 | E | 38.4 | Very low | 39.4 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -87.9 | -5.8 | -175.6 | -75.4 | -165.6 | 159.3 | 0 | 0 | 116.1 | ||
| 1229 | N | 38.1 | Very low | 39 | Very low | 141 Ų | 141 | 130.1 Ų | 130.1 | 75% | 0.754 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -139.8 | 81 | -173.4 | -71.5 | -51.3 | 0 | 0 | 0 | 113.8 | ||
| 1230 | N | 36.1 | Very low | 38.5 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 90% | 0.898 | 72% | 0.719 | S | S | * | * | trans | 179.7 | 91.4 | 136 | -89.6 | -22.7 | 0 | 0 | 0 | 110.7 | ||||
| 1231 | N | 32.9 | Very low | 38.2 | Very low | 158 Ų | 158 | 129.8 Ų | 129.8 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | trans | -75 | 122.7 | 161.8 | -75 | -36.7 | 0 | 0 | 0 | 108.9 | ||||
| 1232 | N | 37.2 | Very low | 37.9 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | -175.3 | 117.1 | 141.5 | -92.2 | -14.7 | 0 | 0 | 0 | 111.5 | ||||
| 1233 | D | 36.7 | Very low | 37.5 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | trans | 56.5 | 105 | 142.7 | -61 | -19.5 | 0 | 0 | 0 | 121.3 | ||||
| 1234 | G | 30.2 | Very low | 37.1 | Very low | 68 Ų | 68 | 129.2 Ų | 129.2 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | 100.2 | 100.9 | 108.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1235 | N | 28.9 | Very low | 37.2 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 87% | 0.866 | 73% | 0.728 | S | S | * | * | trans | 78.2 | 75 | 150.4 | -55.2 | -21.7 | 0 | 0 | 0 | 118.6 | ||||
| 1236 | T | 33.2 | Very low | 37.1 | Very low | 145 Ų | 145 | 125.5 Ų | 125.5 | 89% | 0.89 | 72% | 0.72 | S | S | * | * | trans | -149.2 | 130.4 | 139 | 36.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1237 | V | 31.9 | Very low | 37.1 | Very low | 132 Ų | 132 | 124.1 Ų | 124.1 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | trans | -70.7 | 118.4 | -163.8 | 173.1 | 0 | 0 | 0 | 0 | 112.8 | S1239 | V1237-S1239 PolarHBondContact O-N 3.08Š| ||
| 1238 | N | 30.2 | Very low | 37.1 | Very low | 154 Ų | 154 | 124.5 Ų | 124.5 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 21.5 | 91.8 | 135.9 | -61.9 | -12.8 | 0 | 0 | 0 | 118.2 | ||
| 1239 | S | 40.1 | Very low | 37.5 | Very low | 82 Ų | 82 | 119.7 Ų | 119.7 | 57% | 0.573 | 69% | 0.689 | S | S | * | * | trans | -148.1 | -16.2 | 147.3 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | V1237 A1241 | V1237-S1239 PolarHBondContact O-N 3.08Å; S1239-A1241 PolarHBondContact O-N 3.19Å | ||
| 1240 | D | 36.9 | Very low | 37.9 | Very low | 118 Ų | 118 | 119 Ų | 119 | 63% | 0.631 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -12.9 | -171.9 | -64.4 | -21 | 0 | 0 | 0 | 114.7 | D1242 | D1240-D1242 PolarHBondContact O-N 3.08Š|
| 1241 | A | 38.1 | Very low | 38.5 | Very low | 72 Ų | 72 | 118.4 Ų | 118.4 | 60% | 0.595 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -67.8 | -21.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1239 S1245 | S1239-A1241 PolarHBondContact O-N 3.19Å; A1241-S1245 VanDerWaalsContact O-CB 3.31Å; A1241-S1245 WeakPolarHBondContact O-CB 3.29Å; A1241-S1245 PolarHBondContact O-N 3.37Å; A1241-S1245 PolarHBondContact O-OG 3.01Å |
| 1242 | D | 37.7 | Very low | 39.1 | Very low | 124 Ų | 124 | 116.8 Ų | 116.8 | 66% | 0.663 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -84.5 | -26.8 | -178 | -73.6 | -16.6 | 0 | 0 | 0 | 113.1 | D1240 S1245 S1246 | D1240-D1242 PolarHBondContact O-N 3.08Å; D1242-S1245 WeakPolarHBondContact CA-OG 3.4Å; D1242-S1245 PolarHBondContact O-OG 3.3Å; D1242-S1246 WeakPolarHBondContact O-CB 3.44Å; D1242-S1246 PolarHBondContact O-N 3.33Å; D1242-S1246 PolarHBondContact O-OG 2.92Å |
| 1243 | V | 39.8 | Very low | 39.8 | Very low | 89 Ų | 89 | 112.2 Ų | 112.2 | 54% | 0.539 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -79 | -36.9 | 176.7 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | S1246 L1247 | V1243-S1246 WeakPolarHBondContact CA-OG 3.48Å; V1243-S1246 PolarHBondContact O-OG 3.36Å; V1243-L1247 PolarHBondContact O-N 2.92Å |
| 1244 | I | 39.7 | Very low | 40.7 | Very low | 112 Ų | 112 | 111.2 Ų | 111.2 | 57% | 0.574 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -75.5 | -30.4 | 178 | -61.9 | 174.2 | 0 | 0 | 0 | 111.2 | ||
| 1245 | S | 45.2 | Very low | 41.7 | Very low | 63 Ų | 63 | 114.3 Ų | 114.3 | 44% | 0.441 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -76.4 | -29.6 | 174.3 | 61.1 | 0 | 0 | 0 | 0 | 113.5 | A1241 D1242 K1248 | A1241-S1245 VanDerWaalsContact O-CB 3.31Å; A1241-S1245 WeakPolarHBondContact O-CB 3.29Å; A1241-S1245 PolarHBondContact O-N 3.37Å; A1241-S1245 PolarHBondContact O-OG 3.01Å; D1242-S1245 WeakPolarHBondContact CA-OG 3.4Å; D1242-S1245 PolarHBondContact O-OG 3.3Å; S1245-K1248 WeakPolarHBondContact O-CB 3.46Å; S1245-K1248 PolarHBondContact O-N 3.36Å |
| 1246 | S | 42.9 | Very low | 42.6 | Very low | 70 Ų | 70 | 108 Ų | 108 | 49% | 0.49 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -73 | -31.6 | 175.1 | 49.5 | 0 | 0 | 0 | 0 | 113.3 | D1242 V1243 K1248 T1249 | D1242-S1246 WeakPolarHBondContact O-CB 3.44Å; D1242-S1246 PolarHBondContact O-N 3.33Å; D1242-S1246 PolarHBondContact O-OG 2.92Å; V1243-S1246 WeakPolarHBondContact CA-OG 3.48Å; V1243-S1246 PolarHBondContact O-OG 3.36Å; S1246-K1248 VanDerWaalsContact C-N 3.25Å; S1246-K1248 PolarHBondContact O-N 3.41Å; S1246-T1249 PolarHBondContact O-OG1 3.09Å; S1246-T1249 VanDerWaalsContact O-OG1 3.09Å |
| 1247 | L | 43.8 | Very low | 43.8 | Very low | 110 Ų | 110 | 105.5 Ų | 105.5 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -15 | 173.1 | -80.7 | 161.4 | 0 | 0 | 0 | 114.4 | V1243 T1249 | V1243-L1247 PolarHBondContact O-N 2.92Å; L1247-T1249 PolarHBondContact O-N 2.96Å |
| 1248 | K | 42.1 | Very low | 45.3 | Very low | 169 Ų | 169 | 105.6 Ų | 105.6 | 74% | 0.735 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -6 | 177.5 | -82 | -178.2 | 173.5 | 176.8 | 0 | 114.6 | S1245 S1246 N1250 | S1245-K1248 WeakPolarHBondContact O-CB 3.46Å; S1245-K1248 PolarHBondContact O-N 3.36Å; S1246-K1248 VanDerWaalsContact C-N 3.25Å; S1246-K1248 PolarHBondContact O-N 3.41Å; K1248-N1250 PolarHBondContact O-N 3.31Å; K1248-N1250 VanDerWaalsContact O-N 3.1Å |
| 1249 | T | 45.5 | Very low | 46.5 | Very low | 73 Ų | 73 | 100 Ų | 100 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | trans | -78.4 | 101.8 | -179 | 52 | 0 | 0 | 0 | 0 | 110.8 | S1246 L1247 Q1251 F1252 | S1246-T1249 PolarHBondContact O-OG1 3.09Å; S1246-T1249 VanDerWaalsContact O-OG1 3.09Å; L1247-T1249 PolarHBondContact O-N 2.96Å; T1249-Q1251 PolarHBondContact O-N 3.2Å; T1249-F1252 PolarHBondContact O-N 3.17Å | ||
| 1250 | N | 47.2 | Very low | 47.3 | Very low | 126 Ų | 126 | 96.2 Ų | 96.2 | 67% | 0.674 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -42.4 | -22.1 | 172 | -104.8 | -23.3 | 0 | 0 | 0 | 114.7 | K1248 Q1254 | K1248-N1250 PolarHBondContact O-N 3.31Å; K1248-N1250 VanDerWaalsContact O-N 3.1Å; N1250-Q1254 PolarHBondContact O-N 3.37Å |
| 1251 | Q | 49 | Very low | 48.6 | Very low | 156 Ų | 156 | 94 Ų | 94 | 73% | 0.729 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.3 | -40.6 | 177.3 | -73.2 | 177.9 | -21.5 | 0 | 0 | 113.7 | T1249 I1253 Q1254 Y1255 | T1249-Q1251 PolarHBondContact O-N 3.2Å; Q1251-I1253 PolarHBondContact O-N 3.22Å; Q1251-Q1254 PolarHBondContact O-N 3.08Å; Q1251-Y1255 VanDerWaalsContact O-CB 3.29Å; Q1251-Y1255 WeakPolarHBondContact O-CB 3.49Å; Q1251-Y1255 PolarHBondContact O-N 3.04Å |
| 1252 | F | 44.9 | Very low | 49.8 | Very low | 124 Ų | 124 | 96.2 Ų | 96.2 | 54% | 0.544 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.4 | -38.9 | -177.5 | -166.2 | -95 | 0 | 0 | 0 | 111.4 | T1249 Y1255 S1256 | T1249-F1252 PolarHBondContact O-N 3.17Å; F1252-Y1255 PolarHBondContact O-N 2.9Å; F1252-S1256 PolarHBondContact O-N 3.47Å; F1252-S1256 PolarHBondContact O-OG 3.49Å |
| 1253 | I | 51.6 | Low | 50.8 | Low | 54 Ų | 54 | 91.2 Ų | 91.2 | 28% | 0.277 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 177.1 | -60 | 173.5 | 0 | 0 | 0 | 111.1 | Q1251 S1256 K1257 | Q1251-I1253 PolarHBondContact O-N 3.22Å; I1253-S1256 PolarHBondContact O-OG 2.76Å; I1253-S1256 VanDerWaalsContact O-OG 3.07Å; I1253-K1257 WeakPolarHBondContact O-CB 3.38Å; I1253-K1257 PolarHBondContact O-N 2.9Å |
| 1254 | Q | 56 | Low | 51.9 | Low | 132 Ų | 132 | 87.2 Ų | 87.2 | 62% | 0.617 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.7 | -38.4 | 174.2 | -79.4 | -166.7 | -12.1 | 0 | 0 | 112.2 | N1250 Q1251 K1257 Q1258 | N1250-Q1254 PolarHBondContact O-N 3.37Å; Q1251-Q1254 PolarHBondContact O-N 3.08Å; Q1254-K1257 PolarHBondContact O-N 3.36Å; Q1254-Q1258 WeakPolarHBondContact O-CB 3.44Å; Q1254-Q1258 PolarHBondContact O-N 3.43Å |
| 1255 | Y | 50.9 | Low | 53.1 | Low | 133 Ų | 133 | 85.7 Ų | 85.7 | 52% | 0.522 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.6 | -48 | 179.5 | -169 | -96.1 | 0 | 0 | 0 | 111.8 | Q1251 F1252 K1257 Q1258 L1259 | Q1251-Y1255 VanDerWaalsContact O-CB 3.29Å; Q1251-Y1255 WeakPolarHBondContact O-CB 3.49Å; Q1251-Y1255 PolarHBondContact O-N 3.04Å; F1252-Y1255 PolarHBondContact O-N 2.9Å; Y1255-K1257 VanDerWaalsContact C-N 3.3Å; Y1255-K1257 PolarHBondContact O-N 2.96Å; Y1255-Q1258 PolarHBondContact O-N 3.39Å; Y1255-L1259 HydrophobicContact CE1-CD1 3.96Å; Y1255-L1259 WeakPolarHBondContact O-CB 3.42Å; Y1255-L1259 PolarHBondContact O-N 3.37Å |
| 1256 | S | 48.2 | Very low | 54 | Low | 31 Ų | 31 | 86.2 Ų | 86.2 | 22% | 0.217 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 177.5 | 62.8 | 0 | 0 | 0 | 0 | 112 | F1252 I1253 A1260 | F1252-S1256 PolarHBondContact O-N 3.47Å; F1252-S1256 PolarHBondContact O-OG 3.49Å; I1253-S1256 PolarHBondContact O-OG 2.76Å; I1253-S1256 VanDerWaalsContact O-OG 3.07Å; S1256-A1260 WeakPolarHBondContact O-CB 3.49Å; S1256-A1260 PolarHBondContact O-N 2.91Å |
| 1257 | K | 59 | Low | 54.8 | Low | 91 Ų | 91 | 83.7 Ų | 83.7 | 40% | 0.396 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 177 | -157.4 | 175 | -174.1 | 177 | 0 | 112.1 | I1253 Q1254 Y1255 I1261 | I1253-K1257 WeakPolarHBondContact O-CB 3.38Å; I1253-K1257 PolarHBondContact O-N 2.9Å; Q1254-K1257 PolarHBondContact O-N 3.36Å; Y1255-K1257 VanDerWaalsContact C-N 3.3Å; Y1255-K1257 PolarHBondContact O-N 2.96Å; K1257-I1261 HydrophobicContact CG-CD1 4.46Å; K1257-I1261 WeakPolarHBondContact O-CD1 3.47Å; K1257-I1261 VanDerWaalsContact O-CG1 3.27Å; K1257-I1261 WeakPolarHBondContact O-CG1 3.31Å; K1257-I1261 PolarHBondContact O-N 3.43Å; K1257-I1261 VanDerWaalsContact O-N 3.12Å |
| 1258 | Q | 63.3 | Low | 55.7 | Low | 134 Ų | 134 | 79 Ų | 79 | 63% | 0.626 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.9 | -41.5 | 176 | -82.2 | -177 | -21 | 0 | 0 | 112.4 | Q1254 Y1255 I1261 H1262 | Q1254-Q1258 WeakPolarHBondContact O-CB 3.44Å; Q1254-Q1258 PolarHBondContact O-N 3.43Å; Y1255-Q1258 PolarHBondContact O-N 3.39Å; Q1258-I1261 PolarHBondContact O-N 2.8Å; Q1258-H1262 WeakPolarHBondContact O-CB 3.43Å; Q1258-H1262 PolarHBondContact O-N 3.49Å |
| 1259 | L | 55.3 | Low | 56.7 | Low | 36 Ų | 36 | 75 Ų | 75 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.1 | -43.4 | -179.9 | -154.3 | 101 | 0 | 0 | 0 | 111.4 | F1149 Y1255 I1261 H1262 L1263 | F1149-L1259 HydrophobicContact CB-CD2 3.34Å; F1149-L1259 HydrophobicContact CD2-CD2 3.77Å; F1149-L1259 HydrophobicContact CG-CD2 3.68Å; Y1255-L1259 HydrophobicContact CE1-CD1 3.96Å; Y1255-L1259 WeakPolarHBondContact O-CB 3.42Å; Y1255-L1259 PolarHBondContact O-N 3.37Å; L1259-I1261 PolarHBondContact O-N 3.25Å; L1259-H1262 PolarHBondContact O-N 2.95Å; L1259-L1263 HydrophobicContact CD2-CD1 4.39Å; L1259-L1263 WeakPolarHBondContact O-CB 3.33Å; L1259-L1263 PolarHBondContact O-N 3.39Å |
| 1260 | A | 57.1 | Low | 57.2 | Low | 4 Ų | 4 | 76.1 Ų | 76.1 | 3% | 0.033 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1208 I1212 S1256 L1263 L1264 | L1208-A1260 HydrophobicContact CD2-CB 3.99Å; I1212-A1260 HydrophobicContact CD1-CB 4.47Å; I1212-A1260 HydrophobicContact CG1-CB 4.38Å; S1256-A1260 WeakPolarHBondContact O-CB 3.49Å; S1256-A1260 PolarHBondContact O-N 2.91Å; A1260-L1263 PolarHBondContact O-N 3.47Å; A1260-L1264 WeakPolarHBondContact O-CD1 3.37Å; A1260-L1264 WeakPolarHBondContact O-CG 3.33Å; A1260-L1264 PolarHBondContact O-N 3.05Å |
| 1261 | I | 63.5 | Low | 57.7 | Low | 71 Ų | 71 | 71 Ų | 71 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 175.7 | -68.6 | 165.5 | 0 | 0 | 0 | 110.4 | K1257 Q1258 L1259 L1263 L1264 D1265 | K1257-I1261 HydrophobicContact CG-CD1 4.46Å; K1257-I1261 WeakPolarHBondContact O-CD1 3.47Å; K1257-I1261 VanDerWaalsContact O-CG1 3.27Å; K1257-I1261 WeakPolarHBondContact O-CG1 3.31Å; K1257-I1261 PolarHBondContact O-N 3.43Å; K1257-I1261 VanDerWaalsContact O-N 3.12Å; Q1258-I1261 PolarHBondContact O-N 2.8Å; L1259-I1261 PolarHBondContact O-N 3.25Å; I1261-L1263 VanDerWaalsContact C-N 3.32Å; I1261-L1263 PolarHBondContact O-N 2.87Å; I1261-L1264 PolarHBondContact O-N 2.86Å; I1261-D1265 WeakPolarHBondContact O-CB 3.44Å; I1261-D1265 PolarHBondContact O-N 2.92Å |
| 1262 | H | 64.1 | Low | 58.2 | Low | 118 Ų | 118 | 66.1 Ų | 66.1 | 55% | 0.546 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.6 | -36.4 | -177.9 | -165.8 | -62.7 | 0 | 0 | 0 | 112.7 | Q1258 L1259 Q1266 | Q1258-H1262 WeakPolarHBondContact O-CB 3.43Å; Q1258-H1262 PolarHBondContact O-N 3.49Å; L1259-H1262 PolarHBondContact O-N 2.95Å; H1262-Q1266 PolarHBondContact O-N 3.33Å |
| 1263 | L | 58.5 | Low | 58.7 | Low | 19 Ų | 19 | 65.1 Ų | 65.1 | 10% | 0.099 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 174.2 | -87.8 | 165.1 | 0 | 0 | 0 | 112.7 | F1149 L1259 A1260 I1261 D1265 Q1266 L1267 | F1149-L1263 HydrophobicContact CB-CD1 3.81Å; F1149-L1263 HydrophobicContact CD1-CD1 3.28Å; F1149-L1263 HydrophobicContact CE1-CD1 4.11Å; F1149-L1263 HydrophobicContact CG-CD1 3.81Å; L1259-L1263 HydrophobicContact CD2-CD1 4.39Å; L1259-L1263 WeakPolarHBondContact O-CB 3.33Å; L1259-L1263 PolarHBondContact O-N 3.39Å; A1260-L1263 PolarHBondContact O-N 3.47Å; I1261-L1263 VanDerWaalsContact C-N 3.32Å; I1261-L1263 PolarHBondContact O-N 2.87Å; L1263-D1265 VanDerWaalsContact C-N 3.26Å; L1263-D1265 PolarHBondContact O-N 3.42Å; L1263-Q1266 PolarHBondContact O-N 3.23Å; L1263-L1267 WeakPolarHBondContact O-CB 3.37Å; L1263-L1267 PolarHBondContact O-N 3.42Å |
| 1264 | L | 63 | Low | 58.8 | Low | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63 | -37 | 176.8 | -74.3 | 157.9 | 0 | 0 | 0 | 111.1 | V1205 L1208 I1212 A1260 I1261 L1267 S1268 V1303 I1307 | V1205-L1264 HydrophobicContact CG2-CD2 4.49Å; L1208-L1264 HydrophobicContact CB-CD1 4.42Å; L1208-L1264 HydrophobicContact CB-CD2 4.49Å; L1208-L1264 HydrophobicContact CD1-CD2 4.21Å; L1208-L1264 HydrophobicContact CD1-CG 4.31Å; I1212-L1264 HydrophobicContact CD1-CD1 3.58Å; A1260-L1264 WeakPolarHBondContact O-CD1 3.37Å; A1260-L1264 WeakPolarHBondContact O-CG 3.33Å; A1260-L1264 PolarHBondContact O-N 3.05Å; I1261-L1264 PolarHBondContact O-N 2.86Å; L1264-L1267 PolarHBondContact O-N 3.18Å; L1264-S1268 VanDerWaalsContact O-CB 3.23Å; L1264-S1268 WeakPolarHBondContact O-CB 3.3Å; L1264-S1268 PolarHBondContact O-N 3.25Å; L1264-V1303 HydrophobicContact CB-CG1 4.01Å; L1264-V1303 HydrophobicContact CD1-CG1 4.3Å; L1264-V1303 HydrophobicContact CD2-CB 4.39Å; L1264-V1303 HydrophobicContact CD2-CG1 3.47Å; L1264-V1303 VanDerWaalsContact CD2-CG1 3.47Å; L1264-V1303 HydrophobicContact CD2-CG2 3.96Å; L1264-V1303 HydrophobicContact CG-CG1 4.12Å; L1264-I1307 HydrophobicContact CB-CD1 3.68Å; L1264-I1307 HydrophobicContact CD1-CD1 4.36Å |
| 1265 | D | 64.3 | Low | 58.6 | Low | 80 Ų | 80 | 62.2 Ų | 62.2 | 43% | 0.428 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.9 | -37.7 | 178.1 | -137.7 | 25.1 | 0 | 0 | 0 | 112.2 | I1261 L1263 N1269 | I1261-D1265 WeakPolarHBondContact O-CB 3.44Å; I1261-D1265 PolarHBondContact O-N 2.92Å; L1263-D1265 VanDerWaalsContact C-N 3.26Å; L1263-D1265 PolarHBondContact O-N 3.42Å; D1265-N1269 WeakPolarHBondContact O-CB 3.26Å; D1265-N1269 PolarHBondContact O-N 3.06Å; D1265-N1269 PolarHBondContact O-ND2 3.44Å |
| 1266 | Q | 63.6 | Low | 58.6 | Low | 73 Ų | 73 | 58.5 Ų | 58.5 | 34% | 0.341 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 172.2 | -79.6 | -164.8 | -15.4 | 0 | 0 | 112.7 | S1153 H1262 L1263 R1270 | S1153-Q1266 PolarHBondContact OG-OE1 3.28Å; H1262-Q1266 PolarHBondContact O-N 3.33Å; L1263-Q1266 PolarHBondContact O-N 3.23Å; Q1266-R1270 WeakPolarHBondContact O-CB 3.47Å; Q1266-R1270 WeakPolarHBondContact O-CG 3.37Å; Q1266-R1270 PolarHBondContact O-N 3.25Å; Q1266-R1270 VanDerWaalsContact O-N 3.08Å |
| 1267 | L | 60 | Low | 58.6 | Low | 17 Ų | 17 | 59.4 Ų | 59.4 | 9% | 0.089 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61 | -47.9 | 175 | -86.7 | 160.9 | 0 | 0 | 0 | 110.8 | F1156 L1201 L1204 L1263 L1264 R1270 L1271 | F1156-L1267 HydrophobicContact CD1-CD2 3.78Å; F1156-L1267 HydrophobicContact CD2-CD2 4.43Å; F1156-L1267 HydrophobicContact CE1-CD2 3.33Å; F1156-L1267 HydrophobicContact CE1-CG 4.44Å; F1156-L1267 HydrophobicContact CE2-CD2 4.07Å; F1156-L1267 HydrophobicContact CG-CD2 4.31Å; F1156-L1267 HydrophobicContact CZ-CD2 3.48Å; F1156-L1267 VanDerWaalsContact CZ-CD2 3.48Å; L1201-L1267 HydrophobicContact CD2-CD2 3.99Å; L1204-L1267 HydrophobicContact CD2-CD1 4.13Å; L1263-L1267 WeakPolarHBondContact O-CB 3.37Å; L1263-L1267 PolarHBondContact O-N 3.42Å; L1264-L1267 PolarHBondContact O-N 3.18Å; L1267-R1270 PolarHBondContact O-N 2.91Å; L1267-L1271 HydrophobicContact CD2-CD1 4.48Å; L1267-L1271 VanDerWaalsContact O-CB 3.28Å; L1267-L1271 WeakPolarHBondContact O-CB 3.35Å; L1267-L1271 WeakPolarHBondContact O-CD1 3.24Å; L1267-L1271 VanDerWaalsContact O-CG 3.29Å; L1267-L1271 WeakPolarHBondContact O-CG 3.48Å; L1267-L1271 PolarHBondContact O-N 3.47Å |
| 1268 | S | 63.3 | Low | 58.1 | Low | 13 Ų | 13 | 60.2 Ų | 60.2 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.8 | -52.7 | 177.8 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | L1264 R1270 L1271 S1272 Q1304 | L1264-S1268 VanDerWaalsContact O-CB 3.23Å; L1264-S1268 WeakPolarHBondContact O-CB 3.3Å; L1264-S1268 PolarHBondContact O-N 3.25Å; S1268-R1270 PolarHBondContact O-N 3.47Å; S1268-L1271 PolarHBondContact O-N 3.43Å; S1268-S1272 WeakPolarHBondContact O-CB 3.42Å; S1268-S1272 PolarHBondContact O-N 3.03Å; S1268-S1272 PolarHBondContact O-OG 2.82Å; S1268-Q1304 PolarHBondContact OG-NE2 3.37Å; S1268-Q1304 VanDerWaalsContact OG-NE2 3.08Å |
| 1269 | N | 62.9 | Low | 57.4 | Low | 84 Ų | 84 | 57.6 Ų | 57.6 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65 | -35.8 | -178.1 | -79.6 | -45 | 0 | 0 | 0 | 113.6 | D1265 S1272 N1273 | D1265-N1269 WeakPolarHBondContact O-CB 3.26Å; D1265-N1269 PolarHBondContact O-N 3.06Å; D1265-N1269 PolarHBondContact O-ND2 3.44Å; N1269-S1272 PolarHBondContact O-OG 2.96Å; N1269-N1273 WeakPolarHBondContact O-CB 3.38Å; N1269-N1273 PolarHBondContact O-N 3.37Å |
| 1270 | R | 56.4 | Low | 57 | Low | 97 Ų | 97 | 61.1 Ų | 61.1 | 37% | 0.366 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -76.2 | -37.3 | 178.3 | -73.4 | -168.1 | 176.3 | -139.1 | 4.2 | 112.5 | N1157 Q1266 L1267 S1268 | N1157-R1270 WeakPolarHBondContact OD1-CD 3.25Å; N1157-R1270 PolarHBondContact OD1-NE 3.29Å; N1157-R1270 PolarHBondContact OD1-NH1 2.86Å; Q1266-R1270 WeakPolarHBondContact O-CB 3.47Å; Q1266-R1270 WeakPolarHBondContact O-CG 3.37Å; Q1266-R1270 PolarHBondContact O-N 3.25Å; Q1266-R1270 VanDerWaalsContact O-N 3.08Å; L1267-R1270 PolarHBondContact O-N 2.91Å; S1268-R1270 PolarHBondContact O-N 3.47Å |
| 1271 | L | 58.1 | Low | 56.5 | Low | 17 Ų | 17 | 67.3 Ų | 67.3 | 9% | 0.089 | 35% | 0.351 | C | S | . | . | I | π-helix | trans | -66.8 | -40.2 | 174.9 | -76 | 161.3 | 0 | 0 | 0 | 111.2 | L1267 S1268 I1276 L1296 I1300 | L1267-L1271 HydrophobicContact CD2-CD1 4.48Å; L1267-L1271 VanDerWaalsContact O-CB 3.28Å; L1267-L1271 WeakPolarHBondContact O-CB 3.35Å; L1267-L1271 WeakPolarHBondContact O-CD1 3.24Å; L1267-L1271 VanDerWaalsContact O-CG 3.29Å; L1267-L1271 WeakPolarHBondContact O-CG 3.48Å; L1267-L1271 PolarHBondContact O-N 3.47Å; S1268-L1271 PolarHBondContact O-N 3.43Å; L1271-I1276 VanDerWaalsContact O-CD1 3.3Å; L1271-I1276 WeakPolarHBondContact O-CD1 3.28Å; L1271-I1276 VanDerWaalsContact O-CG1 3.26Å; L1271-I1276 WeakPolarHBondContact O-CG1 3.29Å; L1271-L1296 HydrophobicContact CD2-CD2 4.34Å; L1271-I1300 HydrophobicContact CB-CD1 4.17Å; L1271-I1300 HydrophobicContact CD1-CD1 3.85Å; L1271-I1300 HydrophobicContact CD1-CG1 4.29Å; L1271-I1300 HydrophobicContact CG-CD1 4.48Å |
| 1272 | S | 59.3 | Low | 55.4 | Low | 54 Ų | 54 | 71.6 Ų | 71.6 | 38% | 0.378 | 37% | 0.367 | S | S | . | . | I | π-helix | trans | -70 | -39.4 | -178.5 | 69.2 | 0 | 0 | 0 | 0 | 113.9 | S1268 N1269 | S1268-S1272 WeakPolarHBondContact O-CB 3.42Å; S1268-S1272 PolarHBondContact O-N 3.03Å; S1268-S1272 PolarHBondContact O-OG 2.82Å; N1269-S1272 PolarHBondContact O-OG 2.96Å |
| 1273 | N | 54.3 | Low | 54.2 | Low | 104 Ų | 104 | 70.2 Ų | 70.2 | 56% | 0.556 | 37% | 0.371 | S | S | * | . | I | π-helix | trans | -92.9 | -39.7 | -165.3 | -68.7 | -12 | 0 | 0 | 0 | 114.8 | N1269 S1277 | N1269-N1273 WeakPolarHBondContact O-CB 3.38Å; N1269-N1273 PolarHBondContact O-N 3.37Å; N1273-S1277 PolarHBondContact O-OG 3.21Å; N1273-S1277 VanDerWaalsContact O-OG 3.09Å |
| 1274 | N | 53.9 | Low | 53.1 | Low | 84 Ų | 84 | 77 Ų | 77 | 45% | 0.449 | 41% | 0.407 | S | S | . | . | I | π-helix | trans | -114.3 | -33.1 | -168.3 | -77.7 | 8.9 | 0 | 0 | 0 | 115.4 | E1164 N1278 | E1164-N1274 PolarHBondContact OE1-ND2 3.07Å; N1274-N1278 PolarHBondContact O-ND2 3.47Å |
| 1275 | L | 51.6 | Low | 51.9 | Low | 40 Ų | 40 | 81.7 Ų | 81.7 | 21% | 0.209 | 44% | 0.441 | C | S | . | . | I | π-helix | trans | -86.9 | -46.9 | -173 | -96.8 | 156.8 | 0 | 0 | 0 | 112.3 | L1163 S1277 N1278 L1279 | L1163-L1275 HydrophobicContact CD1-CD2 4.06Å; L1275-S1277 PolarHBondContact O-N 3.31Å; L1275-N1278 PolarHBondContact O-N 3.38Å; L1275-L1279 HydrophobicContact CD2-CD1 3.85Å; L1275-L1279 WeakPolarHBondContact O-CB 3.46Å; L1275-L1279 PolarHBondContact O-N 2.95Å |
| 1276 | I | 51.3 | Low | 50.6 | Low | 55 Ų | 55 | 86.5 Ų | 86.5 | 28% | 0.282 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.3 | -40.8 | -176.7 | -68.3 | 172.5 | 0 | 0 | 0 | 111.3 | L1271 L1280 | L1271-I1276 VanDerWaalsContact O-CD1 3.3Å; L1271-I1276 WeakPolarHBondContact O-CD1 3.28Å; L1271-I1276 VanDerWaalsContact O-CG1 3.26Å; L1271-I1276 WeakPolarHBondContact O-CG1 3.29Å; I1276-L1280 HydrophobicContact CG2-CD1 3.57Å; I1276-L1280 HydrophobicContact CG2-CG 4.41Å; I1276-L1280 WeakPolarHBondContact O-CB 3.18Å; I1276-L1280 WeakPolarHBondContact O-CD1 3.41Å; I1276-L1280 WeakPolarHBondContact O-CG 3.39Å; I1276-L1280 PolarHBondContact O-N 3.34Å; I1276-L1280 VanDerWaalsContact O-N 3.08Å |
| 1277 | S | 48.4 | Very low | 49.3 | Very low | 51 Ų | 51 | 89 Ų | 89 | 36% | 0.357 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 178.9 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | N1273 L1275 I1281 | N1273-S1277 PolarHBondContact O-OG 3.21Å; N1273-S1277 VanDerWaalsContact O-OG 3.09Å; L1275-S1277 PolarHBondContact O-N 3.31Å; S1277-I1281 WeakPolarHBondContact O-CD1 3.47Å; S1277-I1281 WeakPolarHBondContact O-CG1 3.43Å |
| 1278 | N | 49 | Very low | 48.8 | Very low | 108 Ų | 108 | 95.1 Ų | 95.1 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -75.8 | -31.2 | -179.9 | -77 | -39.4 | 0 | 0 | 0 | 113.7 | N1274 L1275 | N1274-N1278 PolarHBondContact O-ND2 3.47Å; L1275-N1278 PolarHBondContact O-N 3.38Å |
| 1279 | L | 48.3 | Very low | 48.1 | Very low | 79 Ų | 79 | 97.1 Ų | 97.1 | 41% | 0.414 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -76.5 | -30 | 176.1 | -85.2 | 153.1 | 0 | 0 | 0 | 113 | F1194 L1275 | F1194-L1279 HydrophobicContact CE2-CD1 3.77Å; F1194-L1279 HydrophobicContact CE2-CD2 4.25Å; F1194-L1279 HydrophobicContact CZ-CD1 4.01Å; L1275-L1279 HydrophobicContact CD2-CD1 3.85Å; L1275-L1279 WeakPolarHBondContact O-CB 3.46Å; L1275-L1279 PolarHBondContact O-N 2.95Å |
| 1280 | L | 45.3 | Very low | 47.7 | Very low | 110 Ų | 110 | 96.2 Ų | 96.2 | 58% | 0.576 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -73.4 | -23.3 | 179.9 | -84.4 | 165.8 | 0 | 0 | 0 | 114.4 | I1276 K1282 | I1276-L1280 HydrophobicContact CG2-CD1 3.57Å; I1276-L1280 HydrophobicContact CG2-CG 4.41Å; I1276-L1280 WeakPolarHBondContact O-CB 3.18Å; I1276-L1280 WeakPolarHBondContact O-CD1 3.41Å; I1276-L1280 WeakPolarHBondContact O-CG 3.39Å; I1276-L1280 PolarHBondContact O-N 3.34Å; I1276-L1280 VanDerWaalsContact O-N 3.08Å; L1280-K1282 VanDerWaalsContact C-N 3.34Å; L1280-K1282 PolarHBondContact O-N 3.49Å |
| 1281 | I | 47 | Very low | 47.7 | Very low | 134 Ų | 134 | 97 Ų | 97 | 69% | 0.687 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -12.9 | -170.9 | -69.1 | 168.4 | 0 | 0 | 0 | 113.5 | S1277 | S1277-I1281 WeakPolarHBondContact O-CD1 3.47Å; S1277-I1281 WeakPolarHBondContact O-CG1 3.43Å |
| 1282 | K | 41.1 | Very low | 47.4 | Very low | 161 Ų | 161 | 97.4 Ų | 97.4 | 70% | 0.7 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.5 | 0.2 | -172.8 | -83.4 | -179.6 | 175.7 | 177 | 0 | 117 | L1280 N1284 | L1280-K1282 VanDerWaalsContact C-N 3.34Å; L1280-K1282 PolarHBondContact O-N 3.49Å; K1282-N1284 PolarHBondContact O-N 2.98Å |
| 1283 | S | 39.4 | Very low | 47.2 | Very low | 88 Ų | 88 | 97.6 Ų | 97.6 | 62% | 0.615 | 53% | 0.529 | S | S | * | . | trans | -93.4 | 49.6 | 179.7 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | S1285 | S1283-S1285 PolarHBondContact O-N 3.21Š| ||
| 1284 | N | 34.4 | Very low | 47.6 | Very low | 163 Ų | 163 | 96.9 Ų | 96.9 | 87% | 0.872 | 53% | 0.525 | S | S | * | . | trans | -90.2 | 68.5 | 167.7 | -89.8 | -13.1 | 0 | 0 | 0 | 110.7 | K1282 | K1282-N1284 PolarHBondContact O-N 2.98Š| ||
| 1285 | S | 37.9 | Very low | 47.9 | Very low | 104 Ų | 104 | 99.5 Ų | 99.5 | 73% | 0.727 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 169.7 | 118.4 | 149.1 | 36.6 | 0 | 0 | 0 | 0 | 110.8 | S1283 | S1283-S1285 PolarHBondContact O-N 3.21Š|
| 1286 | Q | 38.1 | Very low | 48.2 | Very low | 181 Ų | 181 | 98.5 Ų | 98.5 | 85% | 0.846 | 52% | 0.524 | S | S | * | . | trans | 48.5 | 91.8 | 149.4 | -60 | 178 | -18.5 | 0 | 0 | 116.8 | ||||
| 1287 | L | 36.1 | Very low | 48.6 | Very low | 124 Ų | 124 | 101.4 Ų | 101.4 | 65% | 0.649 | 54% | 0.535 | S | S | * | . | trans | 178.3 | 145.8 | 145.6 | -94.2 | 145.2 | 0 | 0 | 0 | 111.8 | V1289 | L1287-V1289 PolarHBondContact O-N 3.1Š| ||
| 1288 | N | 48.6 | Very low | 49.4 | Very low | 147 Ų | 147 | 105.4 Ų | 105.4 | 79% | 0.786 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -48.3 | 17.1 | -171 | -83.7 | -4.2 | 0 | 0 | 0 | 120.1 | S1290 | N1288-S1290 PolarHBondContact O-N 3.41Š|
| 1289 | V | 49.6 | Very low | 49.8 | Very low | 55 Ų | 55 | 101.7 Ų | 101.7 | 33% | 0.333 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -11.9 | 179 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | F1194 L1287 D1291 L1293 | F1194-V1289 HydrophobicContact CD1-CG1 4.09Å; F1194-V1289 HydrophobicContact CE1-CG1 4.09Å; L1287-V1289 PolarHBondContact O-N 3.1Å; V1289-D1291 PolarHBondContact O-N 3.09Å; V1289-L1293 VanDerWaalsContact O-CB 3.29Å; V1289-L1293 WeakPolarHBondContact O-CB 3.38Å; V1289-L1293 PolarHBondContact O-N 3.33Å |
| 1290 | S | 52.7 | Low | 50.2 | Low | 65 Ų | 65 | 99.4 Ų | 99.4 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -37 | -176 | 58.4 | 0 | 0 | 0 | 0 | 114.9 | N1288 N1294 | N1288-S1290 PolarHBondContact O-N 3.41Å; S1290-N1294 WeakPolarHBondContact O-CB 3.36Å; S1290-N1294 VanDerWaalsContact O-CG 3.28Å; S1290-N1294 PolarHBondContact O-N 3.14Å; S1290-N1294 PolarHBondContact O-ND2 3.41Å |
| 1291 | D | 56.3 | Low | 51 | Low | 113 Ų | 113 | 98.6 Ų | 98.6 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -80.4 | -44 | -168.1 | -70.1 | -6.7 | 0 | 0 | 0 | 112.7 | V1289 N1294 R1295 | V1289-D1291 PolarHBondContact O-N 3.09Å; D1291-N1294 WeakPolarHBondContact O-CB 3.43Å; D1291-N1294 PolarHBondContact O-N 3.09Å; D1291-R1295 WeakPolarHBondContact O-CB 3.48Å; D1291-R1295 PolarHBondContact O-N 2.94Å |
| 1292 | E | 53.2 | Low | 51.6 | Low | 26 Ų | 26 | 97 Ų | 97 | 12% | 0.121 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -68.3 | -35.7 | 173.7 | -86.1 | -83.2 | 147.5 | 0 | 0 | 111.7 | Y1195 C1198 N1294 R1295 L1296 | Y1195-E1292 HydrophobicContact CD2-CG 3.73Å; Y1195-E1292 HydrophobicContact CE2-CG 3.62Å; C1198-E1292 WeakPolarHBondContact CB-OE2 3.47Å; E1292-N1294 VanDerWaalsContact C-N 3.31Å; E1292-N1294 PolarHBondContact O-N 3.28Å; E1292-R1295 WeakPolarHBondContact O-CB 3.5Å; E1292-R1295 PolarHBondContact O-N 3.43Å; E1292-R1295 IonicContact OE1-NH1 2.77Å; E1292-R1295 PolarHBondContact OE1-NH1 3.41Å; E1292-L1296 WeakPolarHBondContact O-CB 3.36Å; E1292-L1296 PolarHBondContact O-N 3.08Å |
| 1293 | L | 55.1 | Low | 52.3 | Low | 57 Ų | 57 | 90 Ų | 90 | 30% | 0.298 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 173 | -161.3 | 90.2 | 0 | 0 | 0 | 110.7 | F1194 V1289 K1297 | F1194-L1293 HydrophobicContact CE1-CD1 4.04Å; F1194-L1293 HydrophobicContact CZ-CD1 4.11Å; V1289-L1293 VanDerWaalsContact O-CB 3.29Å; V1289-L1293 WeakPolarHBondContact O-CB 3.38Å; V1289-L1293 PolarHBondContact O-N 3.33Å; L1293-K1297 WeakPolarHBondContact O-CB 3.37Å; L1293-K1297 PolarHBondContact O-N 3.31Å |
| 1294 | N | 61.4 | Low | 53.1 | Low | 89 Ų | 89 | 89.7 Ų | 89.7 | 48% | 0.476 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 173.2 | -83.3 | -25.9 | 0 | 0 | 0 | 112.1 | S1290 D1291 E1292 K1297 Q1298 | S1290-N1294 WeakPolarHBondContact O-CB 3.36Å; S1290-N1294 VanDerWaalsContact O-CG 3.28Å; S1290-N1294 PolarHBondContact O-N 3.14Å; S1290-N1294 PolarHBondContact O-ND2 3.41Å; D1291-N1294 WeakPolarHBondContact O-CB 3.43Å; D1291-N1294 PolarHBondContact O-N 3.09Å; E1292-N1294 VanDerWaalsContact C-N 3.31Å; E1292-N1294 PolarHBondContact O-N 3.28Å; N1294-K1297 WeakPolarHBondContact O-CB 3.29Å; N1294-K1297 PolarHBondContact O-N 2.94Å; N1294-Q1298 WeakPolarHBondContact O-CG 3.44Å; N1294-Q1298 PolarHBondContact O-N 2.89Å |
| 1295 | R | 60.7 | Low | 54.3 | Low | 139 Ų | 139 | 86.4 Ų | 86.4 | 53% | 0.525 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.6 | -48.2 | 177 | -155.6 | 176.4 | 171.4 | -151.7 | -3.8 | 110.9 | D1291 E1292 K1297 Q1298 T1299 | D1291-R1295 WeakPolarHBondContact O-CB 3.48Å; D1291-R1295 PolarHBondContact O-N 2.94Å; E1292-R1295 WeakPolarHBondContact O-CB 3.5Å; E1292-R1295 PolarHBondContact O-N 3.43Å; E1292-R1295 IonicContact OE1-NH1 2.77Å; E1292-R1295 PolarHBondContact OE1-NH1 3.41Å; R1295-K1297 VanDerWaalsContact C-N 3.28Å; R1295-K1297 PolarHBondContact O-N 2.88Å; R1295-Q1298 CarbonylContact O-C 3.51Å; R1295-Q1298 PolarHBondContact O-N 3.21Å; R1295-Q1298 VanDerWaalsContact O-N 3.08Å; R1295-T1299 PolarHBondContact O-N 3.06Å; R1295-T1299 PolarHBondContact O-OG1 3.08Å |
| 1296 | L | 57.5 | Low | 55.1 | Low | 19 Ų | 19 | 84 Ų | 84 | 10% | 0.099 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -57 | -42.7 | 172 | -168.8 | 82 | 0 | 0 | 0 | 111 | L1201 L1271 E1292 Q1298 T1299 I1300 | L1201-L1296 HydrophobicContact CB-CD1 4.1Å; L1271-L1296 HydrophobicContact CD2-CD2 4.34Å; E1292-L1296 WeakPolarHBondContact O-CB 3.36Å; E1292-L1296 PolarHBondContact O-N 3.08Å; L1296-Q1298 VanDerWaalsContact C-N 3.33Å; L1296-Q1298 PolarHBondContact O-N 3Å; L1296-T1299 PolarHBondContact O-N 3.05Å; L1296-I1300 HydrophobicContact CD2-CD1 4.28Å; L1296-I1300 HydrophobicContact CG-CD1 4.01Å; L1296-I1300 WeakPolarHBondContact O-CB 3.33Å; L1296-I1300 WeakPolarHBondContact O-CD1 3.23Å; L1296-I1300 WeakPolarHBondContact O-CG1 3.41Å; L1296-I1300 PolarHBondContact O-N 2.86Å |
| 1297 | K | 61 | Low | 55.7 | Low | 117 Ų | 117 | 78.2 Ų | 78.2 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 175.7 | -140 | 177.2 | -173.4 | -178.4 | 0 | 111.8 | L1293 N1294 R1295 L1301 | L1293-K1297 WeakPolarHBondContact O-CB 3.37Å; L1293-K1297 PolarHBondContact O-N 3.31Å; N1294-K1297 WeakPolarHBondContact O-CB 3.29Å; N1294-K1297 PolarHBondContact O-N 2.94Å; R1295-K1297 VanDerWaalsContact C-N 3.28Å; R1295-K1297 PolarHBondContact O-N 2.88Å; K1297-L1301 WeakPolarHBondContact O-CB 3.45Å; K1297-L1301 WeakPolarHBondContact O-CG 3.38Å; K1297-L1301 PolarHBondContact O-N 3.19Å |
| 1298 | Q | 64.7 | Low | 56.6 | Low | 135 Ų | 135 | 82.7 Ų | 82.7 | 63% | 0.631 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.8 | -39.8 | 175.5 | -74 | -145.1 | -8.9 | 0 | 0 | 112.6 | N1294 R1295 L1296 I1300 L1301 L1302 | N1294-Q1298 WeakPolarHBondContact O-CG 3.44Å; N1294-Q1298 PolarHBondContact O-N 2.89Å; R1295-Q1298 CarbonylContact O-C 3.51Å; R1295-Q1298 PolarHBondContact O-N 3.21Å; R1295-Q1298 VanDerWaalsContact O-N 3.08Å; L1296-Q1298 VanDerWaalsContact C-N 3.33Å; L1296-Q1298 PolarHBondContact O-N 3Å; Q1298-I1300 VanDerWaalsContact C-N 3.33Å; Q1298-I1300 PolarHBondContact O-N 3.13Å; Q1298-L1301 PolarHBondContact O-N 3.29Å; Q1298-L1302 WeakPolarHBondContact O-CB 3.46Å; Q1298-L1302 PolarHBondContact O-N 3.43Å |
| 1299 | T | 58.4 | Low | 56.3 | Low | 30 Ų | 30 | 83.4 Ų | 83.4 | 18% | 0.184 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 175.9 | -34.4 | 0 | 0 | 0 | 0 | 110.7 | V1205 R1295 L1296 L1302 V1303 | V1205-T1299 HydrophobicContact CB-CG2 4.21Å; V1205-T1299 HydrophobicContact CG1-CG2 3.52Å; R1295-T1299 PolarHBondContact O-N 3.06Å; R1295-T1299 PolarHBondContact O-OG1 3.08Å; L1296-T1299 PolarHBondContact O-N 3.05Å; T1299-L1302 PolarHBondContact O-N 2.87Å; T1299-V1303 WeakPolarHBondContact O-CB 3.46Å; T1299-V1303 VanDerWaalsContact O-CG2 3.24Å; T1299-V1303 WeakPolarHBondContact O-CG2 3.41Å; T1299-V1303 PolarHBondContact O-N 3.04Å |
| 1300 | I | 55.7 | Low | 56.7 | Low | 31 Ų | 31 | 84.9 Ų | 84.9 | 16% | 0.159 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 173.5 | -66.7 | 163.9 | 0 | 0 | 0 | 110.7 | L1271 L1296 Q1298 V1303 Q1304 | L1271-I1300 HydrophobicContact CB-CD1 4.17Å; L1271-I1300 HydrophobicContact CD1-CD1 3.85Å; L1271-I1300 HydrophobicContact CD1-CG1 4.29Å; L1271-I1300 HydrophobicContact CG-CD1 4.48Å; L1296-I1300 HydrophobicContact CD2-CD1 4.28Å; L1296-I1300 HydrophobicContact CG-CD1 4.01Å; L1296-I1300 WeakPolarHBondContact O-CB 3.33Å; L1296-I1300 WeakPolarHBondContact O-CD1 3.23Å; L1296-I1300 WeakPolarHBondContact O-CG1 3.41Å; L1296-I1300 PolarHBondContact O-N 2.86Å; Q1298-I1300 VanDerWaalsContact C-N 3.33Å; Q1298-I1300 PolarHBondContact O-N 3.13Å; I1300-V1303 PolarHBondContact O-N 3.05Å; I1300-Q1304 WeakPolarHBondContact O-CB 3.43Å; I1300-Q1304 WeakPolarHBondContact O-CG 3.23Å; I1300-Q1304 PolarHBondContact O-N 3.13Å |
| 1301 | L | 62 | Low | 56.9 | Low | 92 Ų | 92 | 85.9 Ų | 85.9 | 48% | 0.482 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64 | -43 | 176 | -81.3 | 162.8 | 0 | 0 | 0 | 112.2 | K1297 Q1298 V1303 Q1304 D1305 | K1297-L1301 WeakPolarHBondContact O-CB 3.45Å; K1297-L1301 WeakPolarHBondContact O-CG 3.38Å; K1297-L1301 PolarHBondContact O-N 3.19Å; Q1298-L1301 PolarHBondContact O-N 3.29Å; L1301-V1303 VanDerWaalsContact C-N 3.33Å; L1301-V1303 PolarHBondContact O-N 2.93Å; L1301-Q1304 PolarHBondContact O-N 3.32Å; L1301-D1305 PolarHBondContact O-N 3.36Å |
| 1302 | L | 60.3 | Low | 56.9 | Low | 102 Ų | 102 | 84.4 Ų | 84.4 | 53% | 0.534 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 175 | -99.7 | 155.7 | 0 | 0 | 0 | 111.6 | Q1298 T1299 D1305 I1306 | Q1298-L1302 WeakPolarHBondContact O-CB 3.46Å; Q1298-L1302 PolarHBondContact O-N 3.43Å; T1299-L1302 PolarHBondContact O-N 2.87Å; L1302-D1305 PolarHBondContact O-N 3.12Å; L1302-I1306 WeakPolarHBondContact O-CB 3.42Å; L1302-I1306 WeakPolarHBondContact O-CD1 3.36Å; L1302-I1306 WeakPolarHBondContact O-CG1 3.47Å; L1302-I1306 PolarHBondContact O-N 2.95Å |
| 1303 | V | 54.7 | Low | 57.1 | Low | 13 Ų | 13 | 87.8 Ų | 87.8 | 8% | 0.079 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 173.7 | 164.6 | 0 | 0 | 0 | 0 | 111.3 | V1205 L1264 T1299 I1300 L1301 D1305 I1306 I1307 | V1205-V1303 HydrophobicContact CG1-CG2 3.24Å; L1264-V1303 HydrophobicContact CB-CG1 4.01Å; L1264-V1303 HydrophobicContact CD1-CG1 4.3Å; L1264-V1303 HydrophobicContact CD2-CB 4.39Å; L1264-V1303 HydrophobicContact CD2-CG1 3.47Å; L1264-V1303 VanDerWaalsContact CD2-CG1 3.47Å; L1264-V1303 HydrophobicContact CD2-CG2 3.96Å; L1264-V1303 HydrophobicContact CG-CG1 4.12Å; T1299-V1303 WeakPolarHBondContact O-CB 3.46Å; T1299-V1303 VanDerWaalsContact O-CG2 3.24Å; T1299-V1303 WeakPolarHBondContact O-CG2 3.41Å; T1299-V1303 PolarHBondContact O-N 3.04Å; I1300-V1303 PolarHBondContact O-N 3.05Å; L1301-V1303 VanDerWaalsContact C-N 3.33Å; L1301-V1303 PolarHBondContact O-N 2.93Å; V1303-D1305 VanDerWaalsContact C-N 3.29Å; V1303-D1305 PolarHBondContact O-N 3.49Å; V1303-I1306 PolarHBondContact O-N 2.91Å; V1303-I1307 HydrophobicContact CG1-CD1 3.59Å; V1303-I1307 HydrophobicContact CG1-CG1 4.32Å; V1303-I1307 WeakPolarHBondContact O-CB 3.47Å; V1303-I1307 VanDerWaalsContact O-CG1 3.23Å; V1303-I1307 WeakPolarHBondContact O-CG1 3.29Å; V1303-I1307 PolarHBondContact O-N 3.31Å |
| 1304 | Q | 56.9 | Low | 57.3 | Low | 81 Ų | 81 | 89.8 Ų | 89.8 | 38% | 0.379 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 177.2 | -77.5 | 179.7 | -8.2 | 0 | 0 | 111.8 | S1268 I1300 L1301 R1308 | S1268-Q1304 PolarHBondContact OG-NE2 3.37Å; S1268-Q1304 VanDerWaalsContact OG-NE2 3.08Å; I1300-Q1304 WeakPolarHBondContact O-CB 3.43Å; I1300-Q1304 WeakPolarHBondContact O-CG 3.23Å; I1300-Q1304 PolarHBondContact O-N 3.13Å; L1301-Q1304 PolarHBondContact O-N 3.32Å; Q1304-R1308 WeakPolarHBondContact O-CB 3.48Å; Q1304-R1308 PolarHBondContact O-N 2.95Å; Q1304-R1308 VanDerWaalsContact O-N 3.13Å |
| 1305 | D | 60.4 | Low | 57 | Low | 94 Ų | 94 | 89.8 Ų | 89.8 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.1 | -42.4 | 174.4 | -81.5 | -15.8 | 0 | 0 | 0 | 111.8 | L1301 L1302 V1303 I1307 R1308 T1309 | L1301-D1305 PolarHBondContact O-N 3.36Å; L1302-D1305 PolarHBondContact O-N 3.12Å; V1303-D1305 VanDerWaalsContact C-N 3.29Å; V1303-D1305 PolarHBondContact O-N 3.49Å; D1305-I1307 VanDerWaalsContact C-N 3.32Å; D1305-I1307 PolarHBondContact O-N 2.97Å; D1305-R1308 WeakPolarHBondContact O-CB 3.27Å; D1305-R1308 PolarHBondContact O-N 3.22Å; D1305-R1308 VanDerWaalsContact O-N 3.13Å; D1305-T1309 PolarHBondContact O-N 3.4Å; D1305-T1309 PolarHBondContact O-OG1 2.92Å |
| 1306 | I | 53.3 | Low | 56.7 | Low | 55 Ų | 55 | 86.3 Ų | 86.3 | 28% | 0.282 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.5 | -32.7 | 176.9 | -69.6 | 164.9 | 0 | 0 | 0 | 112 | I1212 L1302 V1303 T1309 | I1212-I1306 HydrophobicContact CG2-CG2 4.38Å; L1302-I1306 WeakPolarHBondContact O-CB 3.42Å; L1302-I1306 WeakPolarHBondContact O-CD1 3.36Å; L1302-I1306 WeakPolarHBondContact O-CG1 3.47Å; L1302-I1306 PolarHBondContact O-N 2.95Å; V1303-I1306 PolarHBondContact O-N 2.91Å; I1306-T1309 WeakPolarHBondContact CA-OG1 3.45Å; I1306-T1309 PolarHBondContact O-OG1 2.8Å; I1306-T1309 VanDerWaalsContact O-OG1 3.06Å |
| 1307 | I | 51.4 | Low | 56.7 | Low | 58 Ų | 58 | 91.5 Ų | 91.5 | 30% | 0.297 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -74.1 | -30.6 | 174.5 | -68.8 | 167.3 | 0 | 0 | 0 | 111.1 | L1264 V1303 D1305 | L1264-I1307 HydrophobicContact CB-CD1 3.68Å; L1264-I1307 HydrophobicContact CD1-CD1 4.36Å; V1303-I1307 HydrophobicContact CG1-CD1 3.59Å; V1303-I1307 HydrophobicContact CG1-CG1 4.32Å; V1303-I1307 WeakPolarHBondContact O-CB 3.47Å; V1303-I1307 VanDerWaalsContact O-CG1 3.23Å; V1303-I1307 WeakPolarHBondContact O-CG1 3.29Å; V1303-I1307 PolarHBondContact O-N 3.31Å; D1305-I1307 VanDerWaalsContact C-N 3.32Å; D1305-I1307 PolarHBondContact O-N 2.97Å |
| 1308 | R | 55.1 | Low | 56.3 | Low | 219 Ų | 219 | 89.3 Ų | 89.3 | 83% | 0.826 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -72.5 | -31.2 | 176.8 | -108.6 | -179.9 | 171.3 | 167.5 | -1.1 | 113.2 | Q1304 D1305 | Q1304-R1308 WeakPolarHBondContact O-CB 3.48Å; Q1304-R1308 PolarHBondContact O-N 2.95Å; Q1304-R1308 VanDerWaalsContact O-N 3.13Å; D1305-R1308 WeakPolarHBondContact O-CB 3.27Å; D1305-R1308 PolarHBondContact O-N 3.22Å; D1305-R1308 VanDerWaalsContact O-N 3.13Å |
| 1309 | T | 43 | Very low | 55.5 | Low | 162 Ų | 162 | 85.2 Ų | 85.2 | 99% | 0.994 | 43% | 0.429 | S | S | * | . | trans | -88.2 | 0 | 177 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | D1305 I1306 | D1305-T1309 PolarHBondContact O-N 3.4Å; D1305-T1309 PolarHBondContact O-OG1 2.92Å; I1306-T1309 WeakPolarHBondContact CA-OG1 3.45Å; I1306-T1309 PolarHBondContact O-OG1 2.8Å; I1306-T1309 VanDerWaalsContact O-OG1 3.06Å |
Retrieved 1,309 of 1,309 residues in 965.2 ms
(Link to these results)