| 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 | 29 | Very low | 35.2 | Very low | 231 Ų | 231 | 115 Ų | 115 | 100% | 1.138 | 61% | 0.61 | S | S | * | * | 0 | 119.2 | 0 | -80.8 | 165.2 | 168.3 | 0 | 0 | 107 | |||||
| 2 | L | 26.3 | Very low | 35.2 | Very low | 175 Ų | 175 | 110.3 Ų | 110.3 | 92% | 0.916 | 59% | 0.592 | S | S | * | * | trans | -78.7 | 142.3 | -174 | -74.5 | 136.8 | 0 | 0 | 0 | 110 | ||||
| 3 | S | 29.8 | Very low | 35.4 | Very low | 84 Ų | 84 | 102.4 Ų | 102.4 | 59% | 0.587 | 55% | 0.55 | S | S | * | * | trans | 89.2 | 59 | 178.8 | 78.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 4 | L | 34.9 | Very low | 35.6 | Very low | 124 Ų | 124 | 95.9 Ų | 95.9 | 65% | 0.649 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -83.9 | -18.5 | 177.6 | -92.2 | 147.8 | 0 | 0 | 0 | 118.7 | V6 | L4-V6 PolarHBondContact O-N 2.96Å |
| 5 | P | 35.1 | Very low | 35.6 | Very low | 100 Ų | 100 | 96.4 Ų | 96.4 | 65% | 0.649 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.3 | -36.8 | -178.2 | -19.4 | 30.8 | 0 | 0 | 0 | 114.2 | E9 | P5-E9 PolarHBondContact O-N 3.4Å |
| 6 | V | 37.8 | Very low | 35.7 | Very low | 79 Ų | 79 | 93.8 Ų | 93.8 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -78.1 | -33.2 | -172.9 | 178 | 0 | 0 | 0 | 0 | 112.3 | L4 L10 | L4-V6 PolarHBondContact O-N 2.96Å; V6-L10 HydrophobicContact CG1-CD1 3.97Å; V6-L10 WeakPolarHBondContact O-CB 3.45Å; V6-L10 PolarHBondContact O-N 3.27Å |
| 7 | Q | 38.3 | Very low | 35.9 | Very low | 101 Ų | 101 | 89.1 Ų | 89.1 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69 | -33.6 | 175.2 | -85.5 | -175.6 | -9.7 | 0 | 0 | 112.7 | R11 E35 | Q7-R11 WeakPolarHBondContact O-CB 3.47Å; Q7-R11 PolarHBondContact O-N 3.23Å; Q7-E35 PolarHBondContact NE2-OE1 2.97Å |
| 8 | A | 36.8 | Very low | 35.9 | Very low | 58 Ų | 58 | 90.6 Ų | 90.6 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.2 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R11 C12 | A8-R11 PolarHBondContact O-N 3.34Å; A8-C12 WeakPolarHBondContact O-CB 3.35Å; A8-C12 PolarHBondContact O-N 3.23Å |
| 9 | E | 38.1 | Very low | 36.3 | Very low | 110 Ų | 110 | 86.6 Ų | 86.6 | 51% | 0.514 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 173.8 | -76.3 | -170.3 | 157.4 | 0 | 0 | 112.2 | P5 R11 C12 V13 | P5-E9 PolarHBondContact O-N 3.4Å; E9-R11 PolarHBondContact O-N 2.87Å; E9-C12 PolarHBondContact O-N 3.21Å; E9-V13 WeakPolarHBondContact O-CB 3.39Å; E9-V13 VanDerWaalsContact O-CG2 3.26Å; E9-V13 WeakPolarHBondContact O-CG2 3.26Å; E9-V13 PolarHBondContact O-N 3.02Å |
| 10 | L | 42.4 | Very low | 36.1 | Very low | 42 Ų | 42 | 88.3 Ų | 88.3 | 22% | 0.22 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64.2 | -37 | 174.4 | -96.5 | 148.9 | 0 | 0 | 0 | 112.9 | V6 V13 A14 F23 | V6-L10 HydrophobicContact CG1-CD1 3.97Å; V6-L10 WeakPolarHBondContact O-CB 3.45Å; V6-L10 PolarHBondContact O-N 3.27Å; L10-V13 PolarHBondContact O-N 2.98Å; L10-A14 VanDerWaalsContact O-CB 3.3Å; L10-A14 WeakPolarHBondContact O-CB 3.38Å; L10-A14 PolarHBondContact O-N 3.26Å; L10-F23 HydrophobicContact CD2-CZ 4.2Å |
| 11 | R | 38.7 | Very low | 36.1 | Very low | 161 Ų | 161 | 91.1 Ų | 91.1 | 61% | 0.608 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.5 | -43.1 | 171 | -95.2 | -175.9 | 173.8 | -168.9 | -5.2 | 111.6 | Q7 A8 E9 V13 A14 N15 E719 | Q7-R11 WeakPolarHBondContact O-CB 3.47Å; Q7-R11 PolarHBondContact O-N 3.23Å; A8-R11 PolarHBondContact O-N 3.34Å; E9-R11 PolarHBondContact O-N 2.87Å; R11-V13 VanDerWaalsContact C-N 3.28Å; R11-V13 PolarHBondContact O-N 3.21Å; R11-A14 PolarHBondContact O-N 2.73Å; R11-N15 PolarHBondContact O-N 3.32Å; R11-N15 PolarHBondContact O-OD1 2.89Å; R11-E719 IonicContact CZ-OE1 2.68Å; R11-E719 IonicContact NH1-OE1 3.52Å; R11-E719 PolarHBondContact NH1-OE1 2.79Å; R11-E719 IonicContact NH2-OE1 3.58Å; R11-E719 PolarHBondContact NH2-OE1 3.39Å |
| 12 | C | 34.9 | Very low | 36.6 | Very low | 58 Ų | 58 | 83.5 Ų | 83.5 | 39% | 0.392 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.3 | -32.8 | 175 | -87.1 | 0 | 0 | 0 | 0 | 112.7 | A8 E9 A16 | A8-C12 WeakPolarHBondContact O-CB 3.35Å; A8-C12 PolarHBondContact O-N 3.23Å; E9-C12 PolarHBondContact O-N 3.21Å; C12-A16 WeakPolarHBondContact O-CB 3.44Å; C12-A16 PolarHBondContact O-N 3.35Å |
| 13 | V | 38.7 | Very low | 37.3 | Very low | 8 Ų | 8 | 79.1 Ų | 79.1 | 5% | 0.048 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -72 | -40.7 | 173.3 | 165.5 | 0 | 0 | 0 | 0 | 111.5 | E9 L10 R11 N15 A16 V17 V95 L97 L112 | E9-V13 WeakPolarHBondContact O-CB 3.39Å; E9-V13 VanDerWaalsContact O-CG2 3.26Å; E9-V13 WeakPolarHBondContact O-CG2 3.26Å; E9-V13 PolarHBondContact O-N 3.02Å; L10-V13 PolarHBondContact O-N 2.98Å; R11-V13 VanDerWaalsContact C-N 3.28Å; R11-V13 PolarHBondContact O-N 3.21Å; V13-N15 PolarHBondContact O-N 3.35Å; V13-A16 PolarHBondContact O-N 3.3Å; V13-V17 PolarHBondContact O-N 3.34Å; V13-V95 HydrophobicContact CG1-CG1 4.3Å; V13-L97 HydrophobicContact CG2-CD2 4.16Å; V13-L112 HydrophobicContact CB-CD2 4.19Å; V13-L112 HydrophobicContact CG1-CD1 4.11Å; V13-L112 HydrophobicContact CG1-CD2 3.51Å; V13-L112 HydrophobicContact CG1-CG 4.42Å; V13-L112 HydrophobicContact CG2-CD1 4.43Å; V13-L112 HydrophobicContact CG2-CD2 3.62Å |
| 14 | A | 38 | Very low | 37.7 | Very low | 11 Ų | 11 | 78.1 Ų | 78.1 | 9% | 0.091 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.8 | -23.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L10 R11 V17 F23 | L10-A14 VanDerWaalsContact O-CB 3.3Å; L10-A14 WeakPolarHBondContact O-CB 3.38Å; L10-A14 PolarHBondContact O-N 3.26Å; R11-A14 PolarHBondContact O-N 2.73Å; A14-V17 CarbonylContact C-O 3.49Å; A14-F23 HydrophobicContact CB-CD2 4.07Å |
| 15 | N | 35.9 | Very low | 37.9 | Very low | 104 Ų | 104 | 74.5 Ų | 74.5 | 56% | 0.556 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -87.4 | -18.6 | 174.2 | -71.6 | 3.4 | 0 | 0 | 0 | 113.4 | R11 V13 | R11-N15 PolarHBondContact O-N 3.32Å; R11-N15 PolarHBondContact O-OD1 2.89Å; V13-N15 PolarHBondContact O-N 3.35Å |
| 16 | A | 36.4 | Very low | 38.4 | Very low | 55 Ų | 55 | 70.5 Ų | 70.5 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -95.6 | -25.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | C12 V13 | C12-A16 WeakPolarHBondContact O-CB 3.44Å; C12-A16 PolarHBondContact O-N 3.35Å; V13-A16 PolarHBondContact O-N 3.3Å |
| 17 | V | 38.9 | Very low | 38.8 | Very low | 14 Ų | 14 | 68.3 Ų | 68.3 | 9% | 0.085 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -113.7 | 138.1 | 171.1 | -162.5 | 0 | 0 | 0 | 0 | 104 | V13 A14 I19 L112 | V13-V17 PolarHBondContact O-N 3.34Å; A14-V17 CarbonylContact C-O 3.49Å; V17-I19 HydrophobicContact CB-CD1 3.6Å; V17-I19 HydrophobicContact CB-CG1 3.68Å; V17-I19 HydrophobicContact CG1-CD1 3.83Å; V17-I19 HydrophobicContact CG1-CG1 3.74Å; V17-I19 HydrophobicContact CG2-CD1 4.11Å; V17-I19 PolarHBondContact O-N 2.94Å; V17-L112 HydrophobicContact CG2-CB 4.13Å; V17-L112 HydrophobicContact CG2-CD1 3.26Å; V17-L112 HydrophobicContact CG2-CG 4.23Å |
| 18 | D | 36.1 | Very low | 39.3 | Very low | 116 Ų | 116 | 66.3 Ų | 66.3 | 62% | 0.62 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -68.5 | 48.2 | -179.1 | -156 | 1.4 | 0 | 0 | 0 | 112.3 | ||
| 19 | I | 43.5 | Very low | 39.9 | Very low | 15 Ų | 15 | 70 Ų | 70 | 8% | 0.077 | 38% | 0.375 | C | S | . | . | trans | -84.3 | -1.6 | 172 | -53.8 | 169.4 | 0 | 0 | 0 | 108.3 | V17 Q21 F22 F23 | V17-I19 HydrophobicContact CB-CD1 3.6Å; V17-I19 HydrophobicContact CB-CG1 3.68Å; V17-I19 HydrophobicContact CG1-CD1 3.83Å; V17-I19 HydrophobicContact CG1-CG1 3.74Å; V17-I19 HydrophobicContact CG2-CD1 4.11Å; V17-I19 PolarHBondContact O-N 2.94Å; I19-Q21 PolarHBondContact O-N 3.2Å; I19-F22 HydrophobicContact CB-CB 4.43Å; I19-F22 HydrophobicContact CG2-CB 3.5Å; I19-F22 HydrophobicContact CG2-CG 4.36Å; I19-F22 WeakPolarHBondContact O-CA 3.44Å; I19-F22 VanDerWaalsContact O-CB 3.31Å; I19-F22 WeakPolarHBondContact O-CB 3.39Å; I19-F22 PolarHBondContact O-N 2.71Å; I19-F23 HydrophobicContact CG2-CD2 3.66Å; I19-F23 HydrophobicContact CG2-CE2 3.85Å; I19-F23 PolarHBondContact O-N 2.85Å | ||
| 20 | E | 32.8 | Very low | 40.4 | Very low | 120 Ų | 120 | 66.3 Ų | 66.3 | 56% | 0.561 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -52.9 | -39.8 | 173.3 | -121.6 | -168.5 | 173.5 | 0 | 0 | 110.9 | F22 S24 | E20-F22 VanDerWaalsContact C-N 3.27Å; E20-F22 PolarHBondContact O-N 3.39Å; E20-S24 WeakPolarHBondContact O-CB 3.43Å; E20-S24 PolarHBondContact O-N 2.73Å; E20-S24 PolarHBondContact O-OG 3.07Å |
| 21 | Q | 36.8 | Very low | 40.7 | Very low | 147 Ų | 147 | 67.9 Ų | 67.9 | 69% | 0.687 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -65.8 | -24.9 | 172.3 | -74.9 | -170 | 3.4 | 0 | 0 | 114.1 | I19 S24 A25 | I19-Q21 PolarHBondContact O-N 3.2Å; Q21-S24 WeakPolarHBondContact CA-OG 3.25Å; Q21-S24 PolarHBondContact O-OG 3.42Å; Q21-A25 WeakPolarHBondContact O-CB 3.32Å |
| 22 | F | 38.9 | Very low | 41.3 | Very low | 71 Ų | 71 | 65.6 Ų | 65.6 | 31% | 0.311 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -83.6 | -39 | -178.5 | -139.2 | -88.7 | 0 | 0 | 0 | 112.3 | I19 E20 S52 W54 | I19-F22 HydrophobicContact CB-CB 4.43Å; I19-F22 HydrophobicContact CG2-CB 3.5Å; I19-F22 HydrophobicContact CG2-CG 4.36Å; I19-F22 WeakPolarHBondContact O-CA 3.44Å; I19-F22 VanDerWaalsContact O-CB 3.31Å; I19-F22 WeakPolarHBondContact O-CB 3.39Å; I19-F22 PolarHBondContact O-N 2.71Å; E20-F22 VanDerWaalsContact C-N 3.27Å; E20-F22 PolarHBondContact O-N 3.39Å; F22-S52 WeakPolarHBondContact CZ-OG 3.45Å; F22-W54 AromaticContact CD1-NE1 3.92Å; F22-W54 AromaticContact CE1-CD1 3.61Å; F22-W54 AromaticContact CE1-NE1 3.18Å; F22-W54 AromaticContact CE2-NE1 3.72Å; F22-W54 AromaticContact CZ-CD1 3.57Å; F22-W54 AromaticContact CZ-NE1 3.08Å |
| 23 | F | 40.1 | Very low | 42 | Very low | 83 Ų | 83 | 68.5 Ų | 68.5 | 36% | 0.364 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -86.4 | -21.6 | 177.3 | -83.5 | -72.6 | 0 | 0 | 0 | 113.9 | L10 A14 I19 A25 | L10-F23 HydrophobicContact CD2-CZ 4.2Å; A14-F23 HydrophobicContact CB-CD2 4.07Å; I19-F23 HydrophobicContact CG2-CD2 3.66Å; I19-F23 HydrophobicContact CG2-CE2 3.85Å; I19-F23 PolarHBondContact O-N 2.85Å; F23-A25 VanDerWaalsContact C-N 3.29Å |
| 24 | S | 38.6 | Very low | 42.3 | Very low | 63 Ų | 63 | 70 Ų | 70 | 44% | 0.441 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -73 | -21 | 170.6 | 56.5 | 0 | 0 | 0 | 0 | 113 | E20 Q21 | E20-S24 WeakPolarHBondContact O-CB 3.43Å; E20-S24 PolarHBondContact O-N 2.73Å; E20-S24 PolarHBondContact O-OG 3.07Å; Q21-S24 WeakPolarHBondContact CA-OG 3.25Å; Q21-S24 PolarHBondContact O-OG 3.42Å |
| 25 | A | 40.2 | Very low | 42.7 | Very low | 48 Ų | 48 | 73.9 Ų | 73.9 | 40% | 0.397 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -92.4 | -14.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q21 F23 T27 | Q21-A25 WeakPolarHBondContact O-CB 3.32Å; F23-A25 VanDerWaalsContact C-N 3.29Å; A25-T27 PolarHBondContact O-N 2.91Å |
| 26 | A | 44.4 | Very low | 43.4 | Very low | 16 Ų | 16 | 75 Ų | 75 | 13% | 0.132 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -74 | 121.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | D30 K31 | A26-D30 HydrophobicContact CB-CB 4.15Å; A26-K31 HydrophobicContact CB-CG 4.32Å |
| 27 | T | 46.6 | Very low | 43.7 | Very low | 34 Ų | 34 | 73.4 Ų | 73.4 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | trans | -63.1 | 158.4 | 178.1 | 64.8 | 0 | 0 | 0 | 0 | 111.2 | A25 E29 D30 K31 | A25-T27 PolarHBondContact O-N 2.91Å; T27-E29 PolarHBondContact O-N 3.41Å; T27-E29 VanDerWaalsContact O-N 3.14Å; T27-D30 WeakPolarHBondContact CB-OD2 3.05Å; T27-D30 PolarHBondContact N-OD2 2.87Å; T27-D30 CarbonylContact O-C 3.53Å; T27-D30 WeakPolarHBondContact O-CA 3.43Å; T27-D30 WeakPolarHBondContact O-CB 3.31Å; T27-D30 PolarHBondContact O-N 2.85Å; T27-D30 PolarHBondContact OG1-N 2.96Å; T27-D30 PolarHBondContact OG1-OD1 3.22Å; T27-D30 PolarHBondContact OG1-OD2 3.37Å; T27-K31 PolarHBondContact O-N 3.16Å | ||
| 28 | A | 47.7 | Very low | 43.8 | Very low | 59 Ų | 59 | 75 Ų | 75 | 49% | 0.488 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -54.9 | -31.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K31 Q32 | A28-K31 PolarHBondContact O-N 3.37Å; A28-Q32 VanDerWaalsContact O-CB 3.23Å; A28-Q32 WeakPolarHBondContact O-CB 3.48Å; A28-Q32 PolarHBondContact O-N 3.13Å |
| 29 | E | 49.8 | Very low | 44.4 | Very low | 135 Ų | 135 | 75.5 Ų | 75.5 | 63% | 0.631 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -68.8 | -41.2 | 172.9 | -120 | 167.8 | -179.2 | 0 | 0 | 111.7 | T27 Q32 Q33 | T27-E29 PolarHBondContact O-N 3.41Å; T27-E29 VanDerWaalsContact O-N 3.14Å; E29-Q32 PolarHBondContact O-N 3.25Å; E29-Q33 WeakPolarHBondContact O-CB 3.38Å; E29-Q33 WeakPolarHBondContact O-CG 3.13Å; E29-Q33 PolarHBondContact O-N 2.99Å |
| 30 | D | 48.9 | Very low | 44.3 | Very low | 32 Ų | 32 | 78 Ų | 78 | 17% | 0.171 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 172.1 | -59.2 | -39.3 | 0 | 0 | 0 | 110.7 | A26 T27 Q32 Q33 V34 L49 | A26-D30 HydrophobicContact CB-CB 4.15Å; T27-D30 WeakPolarHBondContact CB-OD2 3.05Å; T27-D30 PolarHBondContact N-OD2 2.87Å; T27-D30 CarbonylContact O-C 3.53Å; T27-D30 WeakPolarHBondContact O-CA 3.43Å; T27-D30 WeakPolarHBondContact O-CB 3.31Å; T27-D30 PolarHBondContact O-N 2.85Å; T27-D30 PolarHBondContact OG1-N 2.96Å; T27-D30 PolarHBondContact OG1-OD1 3.22Å; T27-D30 PolarHBondContact OG1-OD2 3.37Å; D30-Q32 VanDerWaalsContact C-N 3.34Å; D30-Q32 PolarHBondContact O-N 3.41Å; D30-Q33 PolarHBondContact O-N 3.14Å; D30-V34 VanDerWaalsContact O-CB 3.24Å; D30-V34 WeakPolarHBondContact O-CB 3.08Å; D30-V34 WeakPolarHBondContact O-CG2 3.31Å; D30-V34 PolarHBondContact O-N 3.2Å; D30-L49 HydrophobicContact CB-CD2 4.33Å; D30-L49 WeakPolarHBondContact OD1-CD2 3.2Å |
| 31 | K | 48.6 | Very low | 44.2 | Very low | 76 Ų | 76 | 77.4 Ų | 77.4 | 33% | 0.33 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 175.2 | -69.9 | -176.4 | -175.4 | -178.9 | 0 | 111.7 | A26 T27 A28 E35 E690 | A26-K31 HydrophobicContact CB-CG 4.32Å; T27-K31 PolarHBondContact O-N 3.16Å; A28-K31 PolarHBondContact O-N 3.37Å; K31-E35 WeakPolarHBondContact O-CB 3.38Å; K31-E35 PolarHBondContact O-N 3.36Å; K31-E690 VanDerWaalsContact CD-OE1 3.25Å; K31-E690 WeakPolarHBondContact CD-OE1 3.45Å; K31-E690 WeakPolarHBondContact CE-OE1 3.43Å; K31-E690 VanDerWaalsContact NZ-CD 3.25Å; K31-E690 IonicContact NZ-OE1 3.66Å; K31-E690 PolarHBondContact NZ-OE1 3.09Å |
| 32 | Q | 51.5 | Low | 43.9 | Very low | 112 Ų | 112 | 76.6 Ų | 76.6 | 52% | 0.523 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -73.7 | -35.8 | 178 | -163.5 | 178.4 | 13.2 | 0 | 0 | 112.3 | A28 E29 D30 E35 Q36 | A28-Q32 VanDerWaalsContact O-CB 3.23Å; A28-Q32 WeakPolarHBondContact O-CB 3.48Å; A28-Q32 PolarHBondContact O-N 3.13Å; E29-Q32 PolarHBondContact O-N 3.25Å; D30-Q32 VanDerWaalsContact C-N 3.34Å; D30-Q32 PolarHBondContact O-N 3.41Å; Q32-E35 PolarHBondContact O-N 2.98Å; Q32-Q36 WeakPolarHBondContact O-CB 3.46Å; Q32-Q36 PolarHBondContact O-N 3.24Å |
| 33 | Q | 49.5 | Very low | 43.9 | Very low | 120 Ų | 120 | 80.3 Ų | 80.3 | 56% | 0.561 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -67.9 | -41.3 | 171.7 | -80.1 | -171.4 | 12.2 | 0 | 0 | 111.1 | E29 D30 Q36 A37 | E29-Q33 WeakPolarHBondContact O-CB 3.38Å; E29-Q33 WeakPolarHBondContact O-CG 3.13Å; E29-Q33 PolarHBondContact O-N 2.99Å; D30-Q33 PolarHBondContact O-N 3.14Å; Q33-Q36 PolarHBondContact O-N 2.91Å; Q33-A37 WeakPolarHBondContact O-CB 3.49Å; Q33-A37 PolarHBondContact O-N 3.13Å |
| 34 | V | 45.5 | Very low | 43.7 | Very low | 39 Ų | 39 | 81.4 Ų | 81.4 | 24% | 0.236 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 171.3 | 171 | 0 | 0 | 0 | 0 | 109.4 | D30 A37 I38 F47 | D30-V34 VanDerWaalsContact O-CB 3.24Å; D30-V34 WeakPolarHBondContact O-CB 3.08Å; D30-V34 WeakPolarHBondContact O-CG2 3.31Å; D30-V34 PolarHBondContact O-N 3.2Å; V34-A37 PolarHBondContact O-N 2.7Å; V34-I38 HydrophobicContact CG1-CD1 3.53Å; V34-I38 HydrophobicContact CG1-CG1 4.32Å; V34-I38 WeakPolarHBondContact O-CA 3.22Å; V34-I38 WeakPolarHBondContact O-CB 3.44Å; V34-I38 WeakPolarHBondContact O-CD1 3.26Å; V34-I38 WeakPolarHBondContact O-CG1 3.23Å; V34-I38 PolarHBondContact O-N 3.13Å; V34-F47 HydrophobicContact CB-CE1 4.32Å; V34-F47 HydrophobicContact CG2-CD1 4.17Å; V34-F47 HydrophobicContact CG2-CE1 3.42Å; V34-F47 VanDerWaalsContact CG2-CE1 3.42Å; V34-F47 HydrophobicContact CG2-CZ 3.98Å |
| 35 | E | 46.9 | Very low | 43.8 | Very low | 92 Ų | 92 | 81.9 Ų | 81.9 | 43% | 0.43 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 174.3 | -100 | -174.7 | 167.2 | 0 | 0 | 113.2 | Q7 K31 Q32 I38 N39 | Q7-E35 PolarHBondContact NE2-OE1 2.97Å; K31-E35 WeakPolarHBondContact O-CB 3.38Å; K31-E35 PolarHBondContact O-N 3.36Å; Q32-E35 PolarHBondContact O-N 2.98Å; E35-I38 CarbonylContact O-C 3.56Å; E35-I38 WeakPolarHBondContact O-CA 3.14Å; E35-I38 PolarHBondContact O-N 2.88Å; E35-N39 WeakPolarHBondContact O-CB 3.36Å; E35-N39 PolarHBondContact O-N 3.22Å; E35-N39 PolarHBondContact O-ND2 3Å |
| 36 | Q | 49.5 | Very low | 43.7 | Very low | 127 Ų | 127 | 84.3 Ų | 84.3 | 59% | 0.593 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -70.4 | -41.2 | 177.3 | -86.2 | -173.6 | -12.4 | 0 | 0 | 111.8 | Q32 Q33 I38 N39 S40 | Q32-Q36 WeakPolarHBondContact O-CB 3.46Å; Q32-Q36 PolarHBondContact O-N 3.24Å; Q33-Q36 PolarHBondContact O-N 2.91Å; Q36-I38 VanDerWaalsContact C-N 3.26Å; Q36-I38 PolarHBondContact O-N 3.46Å; Q36-N39 CarbonylContact O-C 3.54Å; Q36-N39 WeakPolarHBondContact O-CA 3.42Å; Q36-N39 PolarHBondContact O-N 2.79Å; Q36-S40 PolarHBondContact O-N 3.41Å; Q36-S40 PolarHBondContact O-OG 3.07Å |
| 37 | A | 43.4 | Very low | 43.3 | Very low | 22 Ų | 22 | 85.3 Ų | 85.3 | 18% | 0.182 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -65.3 | -34.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q33 V34 N39 F47 R58 | Q33-A37 WeakPolarHBondContact O-CB 3.49Å; Q33-A37 PolarHBondContact O-N 3.13Å; V34-A37 PolarHBondContact O-N 2.7Å; A37-N39 PolarHBondContact O-N 3.15Å; A37-F47 HydrophobicContact CB-CZ 4.29Å; A37-R58 WeakPolarHBondContact O-CD 3.45Å; A37-R58 PolarHBondContact O-NH1 3.26Å |
| 38 | I | 41.6 | Very low | 42.8 | Very low | 48 Ų | 48 | 87.2 Ų | 87.2 | 25% | 0.246 | 50% | 0.498 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 5.4 | 167.6 | -63.4 | 169.3 | 0 | 0 | 0 | 111.9 | V34 E35 Q36 R58 | V34-I38 HydrophobicContact CG1-CD1 3.53Å; V34-I38 HydrophobicContact CG1-CG1 4.32Å; V34-I38 WeakPolarHBondContact O-CA 3.22Å; V34-I38 WeakPolarHBondContact O-CB 3.44Å; V34-I38 WeakPolarHBondContact O-CD1 3.26Å; V34-I38 WeakPolarHBondContact O-CG1 3.23Å; V34-I38 PolarHBondContact O-N 3.13Å; E35-I38 CarbonylContact O-C 3.56Å; E35-I38 WeakPolarHBondContact O-CA 3.14Å; E35-I38 PolarHBondContact O-N 2.88Å; Q36-I38 VanDerWaalsContact C-N 3.26Å; Q36-I38 PolarHBondContact O-N 3.46Å; I38-R58 VanDerWaalsContact CA-NH1 3.31Å; I38-R58 VanDerWaalsContact CG2-NH2 3.34Å; I38-R58 PolarHBondContact O-NH1 3.2Å; I38-R58 PolarHBondContact O-NH2 3.33Å |
| 39 | N | 46.9 | Very low | 42.2 | Very low | 126 Ų | 126 | 87.3 Ų | 87.3 | 67% | 0.674 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123 | -19.9 | 170.2 | -76.3 | -52.1 | 0 | 0 | 0 | 113.1 | E35 Q36 A37 | E35-N39 WeakPolarHBondContact O-CB 3.36Å; E35-N39 PolarHBondContact O-N 3.22Å; E35-N39 PolarHBondContact O-ND2 3Å; Q36-N39 CarbonylContact O-C 3.54Å; Q36-N39 WeakPolarHBondContact O-CA 3.42Å; Q36-N39 PolarHBondContact O-N 2.79Å; A37-N39 PolarHBondContact O-N 3.15Å |
| 40 | S | 42.4 | Very low | 41.5 | Very low | 68 Ų | 68 | 86.3 Ų | 86.3 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -93 | 145.4 | 176.5 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | Q36 R58 | Q36-S40 PolarHBondContact O-N 3.41Å; Q36-S40 PolarHBondContact O-OG 3.07Å; S40-R58 PolarHBondContact O-NH1 2.81Å |
| 41 | S | 29.8 | Very low | 40.9 | Very low | 107 Ų | 107 | 89.3 Ų | 89.3 | 75% | 0.748 | 53% | 0.527 | S | S | * | . | trans | -79.6 | 138.1 | -164.8 | -4.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 42 | V | 32 | Very low | 40.7 | Very low | 130 Ų | 130 | 86.7 Ų | 86.7 | 79% | 0.788 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 68.4 | 36.5 | 141.6 | -157.2 | 0 | 0 | 0 | 0 | 120.6 | ||
| 43 | N | 37.7 | Very low | 40.8 | Very low | 149 Ų | 149 | 85.9 Ų | 85.9 | 80% | 0.797 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -150.9 | 146.2 | 159.8 | -86.4 | -49 | 0 | 0 | 0 | 111.9 | V45 | N43-V45 VanDerWaalsContact O-CG2 3.32Å; N43-V45 WeakPolarHBondContact O-CG2 3.43Å; N43-V45 PolarHBondContact O-N 3.06Å |
| 44 | L | 37.3 | Very low | 41.2 | Very low | 106 Ų | 106 | 81.1 Ų | 81.1 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | trans | -52.3 | 106.8 | 166 | -90.8 | 150.5 | 0 | 0 | 0 | 108.1 | K55 | L44-K55 HydrophobicContact CD2-CB 4.44Š| ||
| 45 | V | 39.1 | Very low | 42 | Very low | 73 Ų | 73 | 83.6 Ų | 83.6 | 44% | 0.442 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 116.3 | 175.5 | -169.5 | 0 | 0 | 0 | 0 | 107.6 | N43 F47 | N43-V45 VanDerWaalsContact O-CG2 3.32Å; N43-V45 WeakPolarHBondContact O-CG2 3.43Å; N43-V45 PolarHBondContact O-N 3.06Å; V45-F47 PolarHBondContact O-N 3.49Å |
| 46 | P | 39.4 | Very low | 42.7 | Very low | 99 Ų | 99 | 80.3 Ų | 80.3 | 64% | 0.643 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 124.3 | 170.7 | 26.2 | -28.7 | 0 | 0 | 0 | 108.7 | G48 | P46-G48 PolarHBondContact O-N 3.08Å |
| 47 | F | 35.8 | Very low | 43.4 | Very low | 37 Ų | 37 | 76.3 Ų | 76.3 | 16% | 0.162 | 47% | 0.469 | C | S | . | . | trans | -82 | 108.1 | 170.7 | -78.2 | -85.2 | 0 | 0 | 0 | 108.7 | V34 A37 V45 L49 V56 | V34-F47 HydrophobicContact CB-CE1 4.32Å; V34-F47 HydrophobicContact CG2-CD1 4.17Å; V34-F47 HydrophobicContact CG2-CE1 3.42Å; V34-F47 VanDerWaalsContact CG2-CE1 3.42Å; V34-F47 HydrophobicContact CG2-CZ 3.98Å; A37-F47 HydrophobicContact CB-CZ 4.29Å; V45-F47 PolarHBondContact O-N 3.49Å; F47-L49 HydrophobicContact CB-CD1 4.47Å; F47-L49 HydrophobicContact CD1-CD1 4.29Å; F47-L49 PolarHBondContact O-N 2.99Å; F47-V56 HydrophobicContact CD2-CB 4.4Å; F47-V56 HydrophobicContact CD2-CG2 3.69Å; F47-V56 HydrophobicContact CE2-CB 3.93Å; F47-V56 HydrophobicContact CE2-CG2 3.49Å; F47-V56 VanDerWaalsContact CE2-CG2 3.49Å | ||
| 48 | G | 36.3 | Very low | 43.9 | Very low | 75 Ų | 75 | 80.5 Ų | 80.5 | 77% | 0.773 | 48% | 0.48 | S | S | * | . | trans | -75.3 | 36.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | P46 S50 | P46-G48 PolarHBondContact O-N 3.08Å; G48-S50 PolarHBondContact O-N 3.43Å | ||
| 49 | L | 33.9 | Very low | 45.3 | Very low | 60 Ų | 60 | 79.6 Ų | 79.6 | 31% | 0.314 | 48% | 0.483 | S | S | . | . | trans | -81 | 113.4 | 178.6 | -71.7 | 166 | 0 | 0 | 0 | 108.8 | D30 F47 A51 | D30-L49 HydrophobicContact CB-CD2 4.33Å; D30-L49 WeakPolarHBondContact OD1-CD2 3.2Å; F47-L49 HydrophobicContact CB-CD1 4.47Å; F47-L49 HydrophobicContact CD1-CD1 4.29Å; F47-L49 PolarHBondContact O-N 2.99Å; L49-A51 PolarHBondContact O-N 3.37Å | ||
| 50 | S | 35.8 | Very low | 47 | Very low | 114 Ų | 114 | 78 Ų | 78 | 80% | 0.797 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 90.1 | -176 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | G48 | G48-S50 PolarHBondContact O-N 3.43Š|
| 51 | A | 35.4 | Very low | 49 | Very low | 95 Ų | 95 | 76 Ų | 76 | 79% | 0.785 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 174.1 | -19.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L49 | L49-A51 PolarHBondContact O-N 3.37Š|
| 52 | S | 44.9 | Very low | 51.8 | Low | 21 Ų | 21 | 74.7 Ų | 74.7 | 15% | 0.147 | 45% | 0.445 | C | S | . | . | trans | -173.5 | 115.4 | 175.9 | 45.9 | 0 | 0 | 0 | 0 | 110.1 | F22 W54 K72 | F22-S52 WeakPolarHBondContact CZ-OG 3.45Å; S52-W54 PolarHBondContact O-N 3.16Å; S52-K72 VanDerWaalsContact CB-NZ 3.31Å; S52-K72 WeakPolarHBondContact OG-CE 3.5Å; S52-K72 PolarHBondContact OG-NZ 3.31Å | ||
| 53 | D | 53.1 | Low | 54.2 | Low | 95 Ų | 95 | 70.4 Ų | 70.4 | 51% | 0.508 | 42% | 0.419 | S | S | . | . | trans | -59.1 | 97.2 | 177.5 | -71 | -29 | 0 | 0 | 0 | 110.5 | ||||
| 54 | W | 58.9 | Low | 56.3 | Low | 20 Ų | 20 | 69.6 Ų | 69.6 | 8% | 0.076 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 127.5 | 166.9 | -74.6 | 89.7 | 0 | 0 | 0 | 109.2 | F22 S52 K72 I74 P93 V95 | F22-W54 AromaticContact CD1-NE1 3.92Å; F22-W54 AromaticContact CE1-CD1 3.61Å; F22-W54 AromaticContact CE1-NE1 3.18Å; F22-W54 AromaticContact CE2-NE1 3.72Å; F22-W54 AromaticContact CZ-CD1 3.57Å; F22-W54 AromaticContact CZ-NE1 3.08Å; S52-W54 PolarHBondContact O-N 3.16Å; W54-K72 HydrophobicContact CD2-CB 3.46Å; W54-K72 VanDerWaalsContact CD2-CB 3.46Å; W54-K72 HydrophobicContact CD2-CD 3.92Å; W54-K72 HydrophobicContact CD2-CG 4.31Å; W54-K72 VanDerWaalsContact CE2-CD 3.49Å; W54-K72 HydrophobicContact CE3-CB 3.43Å; W54-K72 VanDerWaalsContact CE3-CB 3.43Å; W54-K72 HydrophobicContact CG-CB 3.91Å; W54-K72 HydrophobicContact CG-CD 4.3Å; W54-K72 HydrophobicContact CH2-CB 4.46Å; W54-K72 HydrophobicContact CZ2-CB 4.44Å; W54-K72 HydrophobicContact CZ2-CD 3.83Å; W54-K72 HydrophobicContact CZ3-CB 3.96Å; W54-I74 HydrophobicContact CD2-CD1 4.27Å; W54-I74 HydrophobicContact CD2-CG1 4.32Å; W54-I74 HydrophobicContact CE3-CD1 3.7Å; W54-I74 HydrophobicContact CE3-CG1 3.34Å; W54-I74 HydrophobicContact CZ3-CD1 3.91Å; W54-I74 HydrophobicContact CZ3-CG1 3.51Å; W54-P93 HydrophobicContact CH2-CB 4.48Å; W54-P93 HydrophobicContact CH2-CG 3.68Å; W54-P93 HydrophobicContact CZ2-CG 4.08Å; W54-V95 HydrophobicContact CH2-CG2 4.24Å; W54-V95 HydrophobicContact CZ3-CG2 4.14Å |
| 55 | K | 62.8 | Low | 58.3 | Low | 91 Ų | 91 | 66 Ų | 66 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 117.1 | 168.4 | -73.2 | -175.1 | 171.6 | 162.6 | 0 | 109.3 | L44 K72 L73 I74 | L44-K55 HydrophobicContact CD2-CB 4.44Å; K55-K72 PolarHBondContact N-O 3.28Å; K55-L73 HydrophobicContact CB-CD1 4.08Å; K55-L73 CarbonylContact O-C 3.57Å; K55-L73 WeakPolarHBondContact O-CA 3.46Å; K55-L73 WeakPolarHBondContact O-CD1 3.38Å; K55-I74 PolarHBondContact O-N 3.49Å |
| 56 | V | 61.5 | Low | 60.2 | Low | 23 Ų | 23 | 67.4 Ų | 67.4 | 14% | 0.139 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.8 | 178.9 | -173.6 | 0 | 0 | 0 | 0 | 110 | F47 I74 L76 | F47-V56 HydrophobicContact CD2-CB 4.4Å; F47-V56 HydrophobicContact CD2-CG2 3.69Å; F47-V56 HydrophobicContact CE2-CB 3.93Å; F47-V56 HydrophobicContact CE2-CG2 3.49Å; F47-V56 VanDerWaalsContact CE2-CG2 3.49Å; V56-I74 CarbonylContact C-O 3.54Å; V56-I74 VanDerWaalsContact CA-O 3.29Å; V56-I74 WeakPolarHBondContact CA-O 3.32Å; V56-I74 HydrophobicContact CB-CB 4.35Å; V56-I74 HydrophobicContact CG1-CB 4.11Å; V56-I74 HydrophobicContact CG1-CG2 4.19Å; V56-I74 HydrophobicContact CG2-CB 4.02Å; V56-I74 HydrophobicContact CG2-CD1 4.14Å; V56-I74 HydrophobicContact CG2-CG1 4.26Å; V56-L76 HydrophobicContact CG1-CD1 4.32Å; V56-L76 HydrophobicContact CG1-CG 4.39Å |
| 57 | H | 63.8 | Low | 62 | Low | 43 Ų | 43 | 63.6 Ų | 63.6 | 20% | 0.199 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 125.3 | 172 | -168.8 | -84.3 | 0 | 0 | 0 | 109.6 | G59 D60 L61 I74 V75 L76 | H57-G59 PolarHBondContact ND1-O 3.46Å; H57-D60 PolarHBondContact CE1-O 3.12Å; H57-L61 HydrophobicContact CB-CB 4.3Å; H57-L61 HydrophobicContact CB-CD2 4.3Å; H57-I74 PolarHBondContact N-O 3Å; H57-V75 HydrophobicContact CB-CG1 4.48Å; H57-V75 HydrophobicContact CB-CG2 4.38Å; H57-V75 WeakPolarHBondContact O-CA 3.34Å; H57-L76 PolarHBondContact O-N 3.48Å |
| 58 | R | 53.1 | Low | 63.9 | Low | 110 Ų | 110 | 68.1 Ų | 68.1 | 42% | 0.415 | 40% | 0.4 | S | S | . | . | trans | -91.3 | 119 | 179 | -53.5 | -171.6 | 73.5 | -148.9 | -14.7 | 109.4 | A37 I38 S40 L76 | A37-R58 WeakPolarHBondContact O-CD 3.45Å; A37-R58 PolarHBondContact O-NH1 3.26Å; I38-R58 VanDerWaalsContact CA-NH1 3.31Å; I38-R58 VanDerWaalsContact CG2-NH2 3.34Å; I38-R58 PolarHBondContact O-NH1 3.2Å; I38-R58 PolarHBondContact O-NH2 3.33Å; S40-R58 PolarHBondContact O-NH1 2.81Å; R58-L76 HydrophobicContact CG-CD1 4.22Å | ||
| 59 | G | 72.5 | Confident | 65.3 | Low | 29 Ų | 29 | 66 Ų | 66 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 81.4 | -162.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H57 L61 V75 L76 | H57-G59 PolarHBondContact ND1-O 3.46Å; G59-L61 PolarHBondContact O-N 3.03Å; G59-V75 WeakPolarHBondContact O-CG1 3.34Å; G59-L76 PolarHBondContact N-O 2.81Å |
| 60 | D | 82.4 | Confident | 66.8 | Low | 92 Ų | 92 | 67.3 Ų | 67.3 | 49% | 0.492 | 38% | 0.38 | S | S | . | . | trans | -71.3 | 125.2 | -172.4 | -66.2 | 3.2 | 0 | 0 | 0 | 112.4 | H57 N78 | H57-D60 PolarHBondContact CE1-O 3.12Å; D60-N78 CarbonylContact C-O 3.59Å; D60-N78 WeakPolarHBondContact CA-O 3.43Å; D60-N78 HydrophobicContact CB-CB 4.28Å; D60-N78 PolarHBondContact OD1-N 2.75Å; D60-N78 PolarHBondContact OD1-ND2 3.19Å; D60-N78 PolarHBondContact OD2-ND2 2.86Å | ||
| 61 | L | 84.7 | Confident | 68.4 | Low | 26 Ų | 26 | 65.5 Ų | 65.5 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 116.3 | 175.1 | 176 | 54.9 | 0 | 0 | 0 | 109.8 | H57 G59 V63 L73 V75 N78 L79 T80 | H57-L61 HydrophobicContact CB-CB 4.3Å; H57-L61 HydrophobicContact CB-CD2 4.3Å; G59-L61 PolarHBondContact O-N 3.03Å; L61-V63 HydrophobicContact CD1-CG2 4.16Å; L61-V63 HydrophobicContact CG-CG2 4.15Å; L61-L73 HydrophobicContact CD2-CD1 4.38Å; L61-L73 HydrophobicContact CD2-CD2 4.32Å; L61-V75 HydrophobicContact CB-CG1 3.8Å; L61-V75 HydrophobicContact CB-CG2 4.13Å; L61-V75 HydrophobicContact CD2-CG2 3.85Å; L61-N78 PolarHBondContact N-O 2.94Å; L61-L79 HydrophobicContact CB-CD1 4.05Å; L61-L79 HydrophobicContact CD2-CD1 3.82Å; L61-L79 HydrophobicContact CG-CD1 3.83Å; L61-L79 CarbonylContact O-C 3.6Å; L61-L79 WeakPolarHBondContact O-CA 3.48Å; L61-T80 PolarHBondContact O-N 3.1Å |
| 62 | V | 87.3 | Confident | 70 | Confident | 80 Ų | 80 | 62.4 Ų | 62.4 | 49% | 0.485 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.9 | 174.3 | -173.3 | 0 | 0 | 0 | 0 | 110 | T80 | V62-T80 CarbonylContact C-O 3.59Å; V62-T80 VanDerWaalsContact CA-O 3.24Å; V62-T80 WeakPolarHBondContact CA-O 3.44Å; V62-T80 HydrophobicContact CG1-CG2 4.34Å |
| 63 | V | 83.7 | Confident | 71.4 | Confident | 40 Ų | 40 | 62.1 Ų | 62.1 | 24% | 0.242 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 121.8 | 176.8 | -179 | 0 | 0 | 0 | 0 | 109.3 | L61 G65 I67 T80 V81 K82 | L61-V63 HydrophobicContact CD1-CG2 4.16Å; L61-V63 HydrophobicContact CG-CG2 4.15Å; V63-G65 PolarHBondContact O-N 3.02Å; V63-I67 HydrophobicContact CB-CD1 4.1Å; V63-I67 HydrophobicContact CB-CG1 4.14Å; V63-I67 HydrophobicContact CG1-CD1 4.29Å; V63-I67 HydrophobicContact CG1-CG1 3.81Å; V63-I67 HydrophobicContact CG2-CD1 3.72Å; V63-I67 HydrophobicContact CG2-CG1 4.17Å; V63-T80 PolarHBondContact N-O 3.22Å; V63-V81 HydrophobicContact CB-CG2 4.37Å; V63-V81 CarbonylContact O-C 3.53Å; V63-V81 WeakPolarHBondContact O-CA 3.5Å; V63-K82 PolarHBondContact O-N 3.16Å |
| 64 | E | 80.9 | Confident | 72.4 | Confident | 133 Ų | 133 | 59 Ų | 59 | 62% | 0.621 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -76.8 | 0.9 | -173.7 | -69.8 | -70.4 | 144.4 | 0 | 0 | 114.5 | K82 | E64-K82 WeakPolarHBondContact OE1-CE 3.4Å; E64-K82 IonicContact OE1-NZ 2.97Å; E64-K82 PolarHBondContact OE1-NZ 3.42Å; E64-K82 WeakPolarHBondContact OE2-CD 3.46Å; E64-K82 IonicContact OE2-NZ 3.67Å; E64-K82 PolarHBondContact OE2-NZ 2.96Å |
| 65 | G | 78.6 | Confident | 73.4 | Confident | 29 Ų | 29 | 58.1 Ų | 58.1 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -145.5 | -162.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V63 V81 | V63-G65 PolarHBondContact O-N 3.02Å; G65-V81 WeakPolarHBondContact O-CG1 3.49Å |
| 66 | N | 79.3 | Confident | 73.8 | Confident | 104 Ų | 104 | 55.7 Ų | 55.7 | 56% | 0.556 | 30% | 0.296 | S | S | * | . | trans | -69.3 | 142.7 | 175.4 | -61.2 | -17.2 | 0 | 0 | 0 | 110.8 | G83 N84 | N66-G83 WeakPolarHBondContact OD1-CA 3.41Å; N66-N84 CarbonylContact C-O 3.5Å; N66-N84 VanDerWaalsContact CA-O 3.23Å; N66-N84 WeakPolarHBondContact CA-O 3.32Å; N66-N84 PolarHBondContact OD1-N 3.28Å | ||
| 67 | I | 78.6 | Confident | 74.7 | Confident | 19 Ų | 19 | 55 Ų | 55 | 10% | 0.097 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116.3 | 166.4 | -78.2 | -171.6 | 0 | 0 | 0 | 107.5 | V63 L79 V81 N84 I85 S86 W94 | V63-I67 HydrophobicContact CB-CD1 4.1Å; V63-I67 HydrophobicContact CB-CG1 4.14Å; V63-I67 HydrophobicContact CG1-CD1 4.29Å; V63-I67 HydrophobicContact CG1-CG1 3.81Å; V63-I67 HydrophobicContact CG2-CD1 3.72Å; V63-I67 HydrophobicContact CG2-CG1 4.17Å; I67-L79 HydrophobicContact CD1-CD1 4.25Å; I67-V81 HydrophobicContact CB-CG1 4.31Å; I67-V81 HydrophobicContact CD1-CG1 4.4Å; I67-V81 HydrophobicContact CD1-CG2 3.49Å; I67-V81 VanDerWaalsContact CD1-CG2 3.49Å; I67-V81 HydrophobicContact CG1-CG1 4.01Å; I67-V81 HydrophobicContact CG1-CG2 4.04Å; I67-N84 PolarHBondContact N-O 3.46Å; I67-I85 HydrophobicContact CG2-CG2 4.46Å; I67-S86 PolarHBondContact O-N 2.89Å; I67-W94 HydrophobicContact CD1-CH2 4.12Å; I67-W94 HydrophobicContact CD1-CZ3 4.36Å; I67-W94 HydrophobicContact CG2-CH2 3.24Å; I67-W94 HydrophobicContact CG2-CZ2 4.03Å; I67-W94 HydrophobicContact CG2-CZ3 3.96Å |
| 68 | E | 74.6 | Confident | 75.8 | Confident | 132 Ų | 132 | 55.1 Ų | 55.1 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 112.5 | 160.5 | -82.6 | -177.3 | 178.4 | 0 | 0 | 107.7 | S86 | E68-S86 WeakPolarHBondContact CA-O 3.42Å |
| 69 | S | 66.3 | Low | 77.7 | Confident | 30 Ų | 30 | 49.9 Ų | 49.9 | 21% | 0.21 | 28% | 0.276 | C | S | . | . | trans | -151.9 | 128.7 | -179.9 | 166.4 | 0 | 0 | 0 | 0 | 111.8 | Q71 S86 T87 | S69-Q71 VanDerWaalsContact C-N 3.34Å; S69-Q71 PolarHBondContact OG-N 2.98Å; S69-S86 PolarHBondContact N-O 3.42Å; S69-T87 WeakPolarHBondContact O-CG2 3.42Å | ||
| 70 | N | 65.6 | Low | 78.6 | Confident | 88 Ų | 88 | 50.4 Ų | 50.4 | 47% | 0.471 | 27% | 0.273 | S | S | . | . | trans | -94.9 | 10.3 | 168.7 | -63.9 | -8.4 | 0 | 0 | 0 | 111.5 | F88 N92 | N70-F88 PolarHBondContact OD1-N 2.8Å; N70-N92 VanDerWaalsContact O-CB 3.26Å; N70-N92 WeakPolarHBondContact O-CB 3.07Å; N70-N92 PolarHBondContact O-ND2 3.16Å | ||
| 71 | Q | 68.6 | Low | 78.9 | Confident | 76 Ų | 76 | 46.1 Ų | 46.1 | 36% | 0.355 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -88.6 | 152.5 | 175.9 | -61.2 | -160.9 | -37.8 | 0 | 0 | 111.5 | S69 W94 | S69-Q71 VanDerWaalsContact C-N 3.34Å; S69-Q71 PolarHBondContact OG-N 2.98Å; Q71-W94 PolarHBondContact O-NE1 3.32Å |
| 72 | K | 68.8 | Low | 78.9 | Confident | 29 Ų | 29 | 50.6 Ų | 50.6 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 130.8 | 175.2 | -52.9 | -171.2 | 178.6 | 177.3 | 0 | 109.9 | S52 W54 K55 S91 N92 | S52-K72 VanDerWaalsContact CB-NZ 3.31Å; S52-K72 WeakPolarHBondContact OG-CE 3.5Å; S52-K72 PolarHBondContact OG-NZ 3.31Å; W54-K72 HydrophobicContact CD2-CB 3.46Å; W54-K72 VanDerWaalsContact CD2-CB 3.46Å; W54-K72 HydrophobicContact CD2-CD 3.92Å; W54-K72 HydrophobicContact CD2-CG 4.31Å; W54-K72 VanDerWaalsContact CE2-CD 3.49Å; W54-K72 HydrophobicContact CE3-CB 3.43Å; W54-K72 VanDerWaalsContact CE3-CB 3.43Å; W54-K72 HydrophobicContact CG-CB 3.91Å; W54-K72 HydrophobicContact CG-CD 4.3Å; W54-K72 HydrophobicContact CH2-CB 4.46Å; W54-K72 HydrophobicContact CZ2-CB 4.44Å; W54-K72 HydrophobicContact CZ2-CD 3.83Å; W54-K72 HydrophobicContact CZ3-CB 3.96Å; K55-K72 PolarHBondContact N-O 3.28Å; K72-S91 WeakPolarHBondContact CE-O 3.44Å; K72-N92 WeakPolarHBondContact CE-OD1 3.42Å; K72-N92 HydrophobicContact CG-CB 3.87Å; K72-N92 WeakPolarHBondContact CG-OD1 3.2Å |
| 73 | L | 74.4 | Confident | 78.7 | Confident | 16 Ų | 16 | 47 Ų | 47 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 135.2 | -176.1 | -176.6 | 74.1 | 0 | 0 | 0 | 110.6 | K55 L61 V75 W94 V95 | K55-L73 HydrophobicContact CB-CD1 4.08Å; K55-L73 CarbonylContact O-C 3.57Å; K55-L73 WeakPolarHBondContact O-CA 3.46Å; K55-L73 WeakPolarHBondContact O-CD1 3.38Å; L61-L73 HydrophobicContact CD2-CD1 4.38Å; L61-L73 HydrophobicContact CD2-CD2 4.32Å; L73-V75 HydrophobicContact CD1-CG2 4.44Å; L73-V75 HydrophobicContact CD2-CG2 3.81Å; L73-V75 HydrophobicContact CG-CG2 3.98Å; L73-W94 HydrophobicContact CB-CD2 3.87Å; L73-W94 HydrophobicContact CB-CE3 4.38Å; L73-W94 HydrophobicContact CB-CG 4.06Å; L73-W94 HydrophobicContact CB-CH2 4.45Å; L73-W94 HydrophobicContact CB-CZ2 4.05Å; L73-W94 HydrophobicContact CD2-CD2 3.99Å; L73-W94 HydrophobicContact CD2-CE3 3.62Å; L73-W94 HydrophobicContact CD2-CH2 3.45Å; L73-W94 VanDerWaalsContact CD2-CH2 3.45Å; L73-W94 HydrophobicContact CD2-CZ2 3.92Å; L73-W94 HydrophobicContact CD2-CZ3 3.35Å; L73-W94 CarbonylContact O-C 3.47Å; L73-W94 WeakPolarHBondContact O-CA 3.47Å; L73-V95 PolarHBondContact O-N 2.82Å |
| 74 | I | 75.1 | Confident | 78.5 | Confident | 30 Ų | 30 | 46.9 Ų | 46.9 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.8 | 166 | -53.1 | -174.1 | 0 | 0 | 0 | 108.6 | W54 K55 V56 H57 L76 V95 | W54-I74 HydrophobicContact CD2-CD1 4.27Å; W54-I74 HydrophobicContact CD2-CG1 4.32Å; W54-I74 HydrophobicContact CE3-CD1 3.7Å; W54-I74 HydrophobicContact CE3-CG1 3.34Å; W54-I74 HydrophobicContact CZ3-CD1 3.91Å; W54-I74 HydrophobicContact CZ3-CG1 3.51Å; K55-I74 PolarHBondContact O-N 3.49Å; V56-I74 CarbonylContact C-O 3.54Å; V56-I74 VanDerWaalsContact CA-O 3.29Å; V56-I74 WeakPolarHBondContact CA-O 3.32Å; V56-I74 HydrophobicContact CB-CB 4.35Å; V56-I74 HydrophobicContact CG1-CB 4.11Å; V56-I74 HydrophobicContact CG1-CG2 4.19Å; V56-I74 HydrophobicContact CG2-CB 4.02Å; V56-I74 HydrophobicContact CG2-CD1 4.14Å; V56-I74 HydrophobicContact CG2-CG1 4.26Å; H57-I74 PolarHBondContact N-O 3Å; I74-L76 HydrophobicContact CG2-CD2 3.81Å; I74-L76 HydrophobicContact CG2-CG 4.33Å; I74-V95 CarbonylContact C-O 3.56Å; I74-V95 WeakPolarHBondContact CA-O 3.44Å; I74-V95 HydrophobicContact CG1-CB 4.2Å; I74-V95 HydrophobicContact CG2-CB 4.34Å; I74-V95 HydrophobicContact CG2-CG1 4.3Å |
| 75 | V | 78.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 113 | 171.5 | -175.3 | 0 | 0 | 0 | 0 | 107.8 | H57 G59 L61 L73 G77 V95 I96 L97 | H57-V75 HydrophobicContact CB-CG1 4.48Å; H57-V75 HydrophobicContact CB-CG2 4.38Å; H57-V75 WeakPolarHBondContact O-CA 3.34Å; G59-V75 WeakPolarHBondContact O-CG1 3.34Å; L61-V75 HydrophobicContact CB-CG1 3.8Å; L61-V75 HydrophobicContact CB-CG2 4.13Å; L61-V75 HydrophobicContact CD2-CG2 3.85Å; L73-V75 HydrophobicContact CD1-CG2 4.44Å; L73-V75 HydrophobicContact CD2-CG2 3.81Å; L73-V75 HydrophobicContact CG-CG2 3.98Å; V75-G77 PolarHBondContact O-N 2.86Å; V75-V95 PolarHBondContact N-O 3.25Å; V75-I96 HydrophobicContact CB-CG1 4.31Å; V75-I96 HydrophobicContact CB-CG2 4.27Å; V75-I96 HydrophobicContact CG2-CG1 4.38Å; V75-I96 CarbonylContact O-C 3.58Å; V75-I96 WeakPolarHBondContact O-CA 3.43Å; V75-L97 PolarHBondContact O-N 3.3Å |
| 76 | L | 71.5 | Confident | 78.7 | Confident | 40 Ų | 40 | 39.8 Ų | 39.8 | 21% | 0.209 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -82.8 | 41.5 | 179.1 | -55.1 | 175.4 | 0 | 0 | 0 | 111.6 | V56 H57 R58 G59 I74 L97 | V56-L76 HydrophobicContact CG1-CD1 4.32Å; V56-L76 HydrophobicContact CG1-CG 4.39Å; H57-L76 PolarHBondContact O-N 3.48Å; R58-L76 HydrophobicContact CG-CD1 4.22Å; G59-L76 PolarHBondContact N-O 2.81Å; I74-L76 HydrophobicContact CG2-CD2 3.81Å; I74-L76 HydrophobicContact CG2-CG 4.33Å; L76-L97 HydrophobicContact CD2-CD1 3.47Å; L76-L97 VanDerWaalsContact CD2-CD1 3.47Å; L76-L97 HydrophobicContact CD2-CG 4.18Å |
| 77 | G | 79.9 | Confident | 78.3 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 9% | 0.093 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -179.5 | -158.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V75 I96 L97 G98 | V75-G77 PolarHBondContact O-N 2.86Å; G77-I96 VanDerWaalsContact O-CG2 3.32Å; G77-I96 WeakPolarHBondContact O-CG2 3.07Å; G77-L97 CarbonylContact O-C 3.5Å; G77-G98 WeakPolarHBondContact O-CA 3.4Å; G77-G98 PolarHBondContact O-N 3.44Å |
| 78 | N | 87.7 | Confident | 77.7 | Confident | 45 Ų | 45 | 36 Ų | 36 | 24% | 0.241 | 18% | 0.184 | C | C | . | . | trans | -77 | 138.4 | 178 | -55.8 | -55.7 | 0 | 0 | 0 | 111.9 | D60 L61 N99 | D60-N78 CarbonylContact C-O 3.59Å; D60-N78 WeakPolarHBondContact CA-O 3.43Å; D60-N78 HydrophobicContact CB-CB 4.28Å; D60-N78 PolarHBondContact OD1-N 2.75Å; D60-N78 PolarHBondContact OD1-ND2 3.19Å; D60-N78 PolarHBondContact OD2-ND2 2.86Å; L61-N78 PolarHBondContact N-O 2.94Å; N78-N99 CarbonylContact C-O 3.53Å; N78-N99 VanDerWaalsContact CA-O 3.24Å; N78-N99 WeakPolarHBondContact CA-O 3.38Å; N78-N99 WeakPolarHBondContact OD1-CB 3.29Å; N78-N99 PolarHBondContact OD1-N 2.98Å; N78-N99 PolarHBondContact OD1-ND2 3.25Å | ||
| 79 | L | 91.8 | Very high | 77.1 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 117.6 | 168.4 | 172.1 | 63 | 0 | 0 | 0 | 109.1 | L61 I67 V81 I85 W94 I96 N99 V100 T101 | L61-L79 HydrophobicContact CB-CD1 4.05Å; L61-L79 HydrophobicContact CD2-CD1 3.82Å; L61-L79 HydrophobicContact CG-CD1 3.83Å; L61-L79 CarbonylContact O-C 3.6Å; L61-L79 WeakPolarHBondContact O-CA 3.48Å; I67-L79 HydrophobicContact CD1-CD1 4.25Å; L79-V81 HydrophobicContact CD1-CG2 3.85Å; L79-V81 HydrophobicContact CD2-CG2 4.43Å; L79-V81 HydrophobicContact CG-CG2 3.98Å; L79-I85 HydrophobicContact CD2-CD1 4.07Å; L79-W94 HydrophobicContact CD2-CE3 4.19Å; L79-W94 HydrophobicContact CD2-CZ3 3.83Å; L79-I96 HydrophobicContact CB-CG1 4.2Å; L79-I96 HydrophobicContact CB-CG2 4Å; L79-I96 HydrophobicContact CD2-CD1 4.4Å; L79-I96 HydrophobicContact CD2-CG1 4.09Å; L79-N99 PolarHBondContact N-O 3.17Å; L79-V100 HydrophobicContact CB-CG2 4.28Å; L79-V100 HydrophobicContact CD2-CG1 4.24Å; L79-V100 HydrophobicContact CG-CG1 4.48Å; L79-V100 CarbonylContact O-C 3.18Å; L79-V100 VanDerWaalsContact O-CA 3.25Å; L79-V100 WeakPolarHBondContact O-CA 3.26Å; L79-T101 PolarHBondContact O-N 2.62Å |
| 80 | T | 91.5 | Very high | 76.4 | Confident | 39 Ų | 39 | 33.6 Ų | 33.6 | 24% | 0.239 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 111.4 | 177 | -61 | 0 | 0 | 0 | 0 | 110.1 | L61 V62 V63 T101 | L61-T80 PolarHBondContact O-N 3.1Å; V62-T80 CarbonylContact C-O 3.59Å; V62-T80 VanDerWaalsContact CA-O 3.24Å; V62-T80 WeakPolarHBondContact CA-O 3.44Å; V62-T80 HydrophobicContact CG1-CG2 4.34Å; V63-T80 PolarHBondContact N-O 3.22Å; T80-T101 CarbonylContact C-O 3.53Å; T80-T101 WeakPolarHBondContact CA-O 3.22Å |
| 81 | V | 89 | Confident | 76.1 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 111.1 | 179.8 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | V63 G65 I67 L79 G83 I85 T101 A102 | V63-V81 HydrophobicContact CB-CG2 4.37Å; V63-V81 CarbonylContact O-C 3.53Å; V63-V81 WeakPolarHBondContact O-CA 3.5Å; G65-V81 WeakPolarHBondContact O-CG1 3.49Å; I67-V81 HydrophobicContact CB-CG1 4.31Å; I67-V81 HydrophobicContact CD1-CG1 4.4Å; I67-V81 HydrophobicContact CD1-CG2 3.49Å; I67-V81 VanDerWaalsContact CD1-CG2 3.49Å; I67-V81 HydrophobicContact CG1-CG1 4.01Å; I67-V81 HydrophobicContact CG1-CG2 4.04Å; L79-V81 HydrophobicContact CD1-CG2 3.85Å; L79-V81 HydrophobicContact CD2-CG2 4.43Å; L79-V81 HydrophobicContact CG-CG2 3.98Å; V81-G83 PolarHBondContact O-N 3.48Å; V81-I85 HydrophobicContact CB-CD1 4.16Å; V81-I85 HydrophobicContact CB-CG1 3.88Å; V81-I85 HydrophobicContact CG1-CG1 4Å; V81-I85 HydrophobicContact CG2-CD1 3.67Å; V81-I85 HydrophobicContact CG2-CG1 3.7Å; V81-T101 PolarHBondContact N-O 3.04Å; V81-A102 HydrophobicContact CB-CB 4.43Å; V81-A102 VanDerWaalsContact O-CA 3.31Å; V81-A102 WeakPolarHBondContact O-CA 3.44Å |
| 82 | K | 83.7 | Confident | 75.9 | Confident | 120 Ų | 120 | 31 Ų | 31 | 52% | 0.522 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -77.6 | 45.1 | 175.4 | -64.3 | -175.3 | -174.7 | 164.3 | 0 | 111.8 | V63 E64 | V63-K82 PolarHBondContact O-N 3.16Å; E64-K82 WeakPolarHBondContact OE1-CE 3.4Å; E64-K82 IonicContact OE1-NZ 2.97Å; E64-K82 PolarHBondContact OE1-NZ 3.42Å; E64-K82 WeakPolarHBondContact OE2-CD 3.46Å; E64-K82 IonicContact OE2-NZ 3.67Å; E64-K82 PolarHBondContact OE2-NZ 2.96Å |
| 83 | G | 83.4 | Confident | 75.9 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -173.8 | -162.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | N66 V81 T103 | N66-G83 WeakPolarHBondContact OD1-CA 3.41Å; V81-G83 PolarHBondContact O-N 3.48Å; G83-T103 WeakPolarHBondContact O-CB 3.44Å; G83-T103 PolarHBondContact O-N 2.84Å; G83-T103 PolarHBondContact O-OG1 3.04Å |
| 84 | N | 81.1 | Confident | 76.3 | Confident | 38 Ų | 38 | 30.2 Ų | 30.2 | 20% | 0.203 | 17% | 0.166 | C | C | . | . | trans | -84.4 | 140.9 | 178.3 | -59.3 | -25.6 | 0 | 0 | 0 | 111.1 | N66 I67 N104 | N66-N84 CarbonylContact C-O 3.5Å; N66-N84 VanDerWaalsContact CA-O 3.23Å; N66-N84 WeakPolarHBondContact CA-O 3.32Å; N66-N84 PolarHBondContact OD1-N 3.28Å; I67-N84 PolarHBondContact N-O 3.46Å; N84-N104 CarbonylContact C-O 3.57Å; N84-N104 VanDerWaalsContact CA-O 3.29Å; N84-N104 WeakPolarHBondContact CA-O 3.43Å; N84-N104 HydrophobicContact CB-CB 4.45Å; N84-N104 WeakPolarHBondContact OD1-CB 3.34Å; N84-N104 PolarHBondContact OD1-N 3.06Å; N84-N104 PolarHBondContact OD1-ND2 2.75Å | ||
| 85 | I | 84.4 | Confident | 76.4 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 124.9 | 164.2 | -61.3 | 178.6 | 0 | 0 | 0 | 107.1 | I67 L79 V81 T87 W94 V100 A102 N104 I105 V106 | I67-I85 HydrophobicContact CG2-CG2 4.46Å; L79-I85 HydrophobicContact CD2-CD1 4.07Å; V81-I85 HydrophobicContact CB-CD1 4.16Å; V81-I85 HydrophobicContact CB-CG1 3.88Å; V81-I85 HydrophobicContact CG1-CG1 4Å; V81-I85 HydrophobicContact CG2-CD1 3.67Å; V81-I85 HydrophobicContact CG2-CG1 3.7Å; I85-T87 HydrophobicContact CG2-CG2 4.28Å; I85-W94 HydrophobicContact CG2-CZ3 4.43Å; I85-V100 HydrophobicContact CD1-CG1 3.68Å; I85-A102 HydrophobicContact CD1-CB 3.84Å; I85-A102 HydrophobicContact CG1-CB 3.93Å; I85-N104 PolarHBondContact N-O 3.26Å; I85-I105 HydrophobicContact CB-CG1 4.26Å; I85-I105 HydrophobicContact CB-CG2 4.36Å; I85-I105 HydrophobicContact CD1-CD1 4.33Å; I85-I105 HydrophobicContact CD1-CG1 4.22Å; I85-I105 HydrophobicContact CG2-CG2 4.44Å; I85-I105 CarbonylContact O-C 3.59Å; I85-I105 WeakPolarHBondContact O-CA 3.33Å; I85-V106 PolarHBondContact O-N 2.95Å |
| 86 | S | 77.8 | Confident | 76.6 | Confident | 9 Ų | 9 | 29.1 Ų | 29.1 | 6% | 0.063 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 110.9 | 178.2 | -63.7 | 0 | 0 | 0 | 0 | 110.1 | I67 E68 S69 V106 | I67-S86 PolarHBondContact O-N 2.89Å; E68-S86 WeakPolarHBondContact CA-O 3.42Å; S69-S86 PolarHBondContact N-O 3.42Å; S86-V106 VanDerWaalsContact CA-O 3.22Å; S86-V106 WeakPolarHBondContact CA-O 3.4Å |
| 87 | T | 71.6 | Confident | 77 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.7 | -179.1 | 57.8 | 0 | 0 | 0 | 0 | 109.3 | S69 I85 W94 V106 T107 D108 | S69-T87 WeakPolarHBondContact O-CG2 3.42Å; I85-T87 HydrophobicContact CG2-CG2 4.28Å; T87-W94 HydrophobicContact CG2-CD2 4.21Å; T87-W94 HydrophobicContact CG2-CH2 4.38Å; T87-W94 HydrophobicContact CG2-CZ2 3.89Å; T87-V106 PolarHBondContact N-O 3.43Å; T87-T107 WeakPolarHBondContact O-CA 3.44Å; T87-T107 WeakPolarHBondContact OG1-CB 3.45Å; T87-T107 PolarHBondContact OG1-OG1 2.66Å; T87-D108 PolarHBondContact O-N 3.03Å; T87-D108 VanDerWaalsContact O-N 3.16Å; T87-D108 VanDerWaalsContact O-OD1 3.04Å |
| 88 | F | 65.9 | Low | 77.1 | Confident | 44 Ų | 44 | 28.5 Ų | 28.5 | 19% | 0.193 | 16% | 0.157 | C | C | . | . | trans | -122.9 | 56 | -171.9 | -67.4 | -73.9 | 0 | 0 | 0 | 111.3 | N70 V106 D108 I201 R204 | N70-F88 PolarHBondContact OD1-N 2.8Å; F88-V106 HydrophobicContact CZ-CG1 4.37Å; F88-D108 WeakPolarHBondContact CA-OD1 3.11Å; F88-D108 WeakPolarHBondContact CA-OD2 3.4Å; F88-I201 HydrophobicContact CZ-CG1 4.38Å; F88-R204 HydrophobicContact CE1-CB 4.46Å | ||
| 89 | S | 61.3 | Low | 77.2 | Confident | 15 Ų | 15 | 29.3 Ų | 29.3 | 11% | 0.105 | 16% | 0.162 | C | C | . | . | trans | -153.4 | 102.6 | -176.9 | -167.8 | 0 | 0 | 0 | 0 | 113.4 | S91 N92 D108 S109 | S89-S91 PolarHBondContact O-N 3.04Å; S89-S91 VanDerWaalsContact O-N 3.07Å; S89-S91 PolarHBondContact OG-OG 3.48Å; S89-N92 PolarHBondContact O-N 3.35Å; S89-N92 VanDerWaalsContact O-N 3.17Å; S89-N92 PolarHBondContact OG-ND2 3.44Å; S89-D108 PolarHBondContact N-OD1 3.43Å; S89-S109 PolarHBondContact N-OG 2.95Å; S89-S109 WeakPolarHBondContact O-CA 3.24Å; S89-S109 WeakPolarHBondContact O-CB 3.44Å; S89-S109 PolarHBondContact O-OG 3.4Å | ||
| 90 | L | 52.9 | Low | 77.1 | Confident | 95 Ų | 95 | 29.4 Ų | 29.4 | 50% | 0.497 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -25 | 171 | -77.2 | 161.6 | 0 | 0 | 0 | 114.4 | Y128 | L90-Y128 HydrophobicContact CD2-CD2 3.92Å; L90-Y128 HydrophobicContact CD2-CG 4.15Å |
| 91 | S | 58.4 | Low | 77.1 | Confident | 80 Ų | 80 | 30.1 Ų | 30.1 | 56% | 0.559 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -6.4 | -175 | 50.7 | 0 | 0 | 0 | 0 | 114.5 | K72 S89 P93 | K72-S91 WeakPolarHBondContact CE-O 3.44Å; S89-S91 PolarHBondContact O-N 3.04Å; S89-S91 VanDerWaalsContact O-N 3.07Å; S89-S91 PolarHBondContact OG-OG 3.48Å; S91-P93 WeakPolarHBondContact O-CD 3.28Å |
| 92 | N | 65.8 | Low | 77.1 | Confident | 31 Ų | 31 | 30.3 Ų | 30.3 | 17% | 0.166 | 17% | 0.169 | C | C | . | . | trans | -122 | 88.4 | -172.2 | -68.3 | -56.2 | 0 | 0 | 0 | 112.1 | N70 K72 S89 | N70-N92 VanDerWaalsContact O-CB 3.26Å; N70-N92 WeakPolarHBondContact O-CB 3.07Å; N70-N92 PolarHBondContact O-ND2 3.16Å; K72-N92 WeakPolarHBondContact CE-OD1 3.42Å; K72-N92 HydrophobicContact CG-CB 3.87Å; K72-N92 WeakPolarHBondContact CG-OD1 3.2Å; S89-N92 PolarHBondContact O-N 3.35Å; S89-N92 VanDerWaalsContact O-N 3.17Å; S89-N92 PolarHBondContact OG-ND2 3.44Å | ||
| 93 | P | 68.4 | Low | 77.1 | Confident | 20 Ų | 20 | 27 Ų | 27 | 13% | 0.13 | 16% | 0.159 | C | C | . | . | trans | -71.2 | 152.8 | -178.1 | 28 | -35 | 0 | 0 | 0 | 113 | W54 S91 P110 | W54-P93 HydrophobicContact CH2-CB 4.48Å; W54-P93 HydrophobicContact CH2-CG 3.68Å; W54-P93 HydrophobicContact CZ2-CG 4.08Å; S91-P93 WeakPolarHBondContact O-CD 3.28Å; P93-P110 VanDerWaalsContact CA-O 3.3Å; P93-P110 WeakPolarHBondContact CA-O 3.38Å; P93-P110 HydrophobicContact CB-CB 4.22Å | ||
| 94 | W | 81.8 | Confident | 76.9 | Confident | 7 Ų | 7 | 28.2 Ų | 28.2 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.6 | 174.3 | -78.9 | 35.6 | 0 | 0 | 0 | 109.9 | I67 Q71 L73 L79 I85 T87 I96 P110 L111 L112 | I67-W94 HydrophobicContact CD1-CH2 4.12Å; I67-W94 HydrophobicContact CD1-CZ3 4.36Å; I67-W94 HydrophobicContact CG2-CH2 3.24Å; I67-W94 HydrophobicContact CG2-CZ2 4.03Å; I67-W94 HydrophobicContact CG2-CZ3 3.96Å; Q71-W94 PolarHBondContact O-NE1 3.32Å; L73-W94 HydrophobicContact CB-CD2 3.87Å; L73-W94 HydrophobicContact CB-CE3 4.38Å; L73-W94 HydrophobicContact CB-CG 4.06Å; L73-W94 HydrophobicContact CB-CH2 4.45Å; L73-W94 HydrophobicContact CB-CZ2 4.05Å; L73-W94 HydrophobicContact CD2-CD2 3.99Å; L73-W94 HydrophobicContact CD2-CE3 3.62Å; L73-W94 HydrophobicContact CD2-CH2 3.45Å; L73-W94 VanDerWaalsContact CD2-CH2 3.45Å; L73-W94 HydrophobicContact CD2-CZ2 3.92Å; L73-W94 HydrophobicContact CD2-CZ3 3.35Å; L73-W94 CarbonylContact O-C 3.47Å; L73-W94 WeakPolarHBondContact O-CA 3.47Å; L79-W94 HydrophobicContact CD2-CE3 4.19Å; L79-W94 HydrophobicContact CD2-CZ3 3.83Å; I85-W94 HydrophobicContact CG2-CZ3 4.43Å; T87-W94 HydrophobicContact CG2-CD2 4.21Å; T87-W94 HydrophobicContact CG2-CH2 4.38Å; T87-W94 HydrophobicContact CG2-CZ2 3.89Å; W94-I96 HydrophobicContact CB-CD1 4.07Å; W94-I96 HydrophobicContact CE3-CD1 4.45Å; W94-P110 PolarHBondContact N-O 3.47Å; W94-L111 HydrophobicContact CB-CD2 3.77Å; W94-L111 HydrophobicContact CG-CD2 4.37Å; W94-L112 PolarHBondContact O-N 3.22Å |
| 95 | V | 76.7 | Confident | 76.9 | Confident | 6 Ų | 6 | 26.6 Ų | 26.6 | 4% | 0.036 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 112.2 | -179.5 | 177 | 0 | 0 | 0 | 0 | 109.4 | V13 W54 L73 I74 V75 L97 L112 | V13-V95 HydrophobicContact CG1-CG1 4.3Å; W54-V95 HydrophobicContact CH2-CG2 4.24Å; W54-V95 HydrophobicContact CZ3-CG2 4.14Å; L73-V95 PolarHBondContact O-N 2.82Å; I74-V95 CarbonylContact C-O 3.56Å; I74-V95 WeakPolarHBondContact CA-O 3.44Å; I74-V95 HydrophobicContact CG1-CB 4.2Å; I74-V95 HydrophobicContact CG2-CB 4.34Å; I74-V95 HydrophobicContact CG2-CG1 4.3Å; V75-V95 PolarHBondContact N-O 3.25Å; V95-L97 HydrophobicContact CG1-CD2 4.04Å; V95-L97 HydrophobicContact CG1-CG 4.49Å; V95-L112 CarbonylContact C-O 3.55Å; V95-L112 WeakPolarHBondContact CA-O 3.28Å; V95-L112 HydrophobicContact CG1-CD2 3.8Å; V95-L112 HydrophobicContact CG2-CB 4.42Å |
| 96 | I | 84.1 | Confident | 76.6 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 109.2 | 177.8 | -57.2 | 93.9 | 0 | 0 | 0 | 108.9 | V75 G77 L79 W94 G98 V100 L112 I113 T114 | V75-I96 HydrophobicContact CB-CG1 4.31Å; V75-I96 HydrophobicContact CB-CG2 4.27Å; V75-I96 HydrophobicContact CG2-CG1 4.38Å; V75-I96 CarbonylContact O-C 3.58Å; V75-I96 WeakPolarHBondContact O-CA 3.43Å; G77-I96 VanDerWaalsContact O-CG2 3.32Å; G77-I96 WeakPolarHBondContact O-CG2 3.07Å; L79-I96 HydrophobicContact CB-CG1 4.2Å; L79-I96 HydrophobicContact CB-CG2 4Å; L79-I96 HydrophobicContact CD2-CD1 4.4Å; L79-I96 HydrophobicContact CD2-CG1 4.09Å; W94-I96 HydrophobicContact CB-CD1 4.07Å; W94-I96 HydrophobicContact CE3-CD1 4.45Å; I96-G98 PolarHBondContact O-N 3.38Å; I96-V100 HydrophobicContact CB-CG2 4.05Å; I96-V100 HydrophobicContact CD1-CG2 4.12Å; I96-V100 HydrophobicContact CG1-CG2 4.02Å; I96-V100 HydrophobicContact CG2-CG2 3.88Å; I96-L112 PolarHBondContact N-O 3.4Å; I96-I113 HydrophobicContact CB-CG1 4.3Å; I96-I113 HydrophobicContact CD1-CG1 3.98Å; I96-I113 CarbonylContact O-C 3.49Å; I96-I113 WeakPolarHBondContact O-CA 3.31Å; I96-T114 PolarHBondContact O-N 2.86Å |
| 97 | L | 78.8 | Confident | 76.4 | Confident | 26 Ų | 26 | 26.4 Ų | 26.4 | 14% | 0.136 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -83.8 | 50.5 | 175.8 | -53.6 | -173.9 | 0 | 0 | 0 | 111.6 | V13 V75 L76 G77 V95 T114 | V13-L97 HydrophobicContact CG2-CD2 4.16Å; V75-L97 PolarHBondContact O-N 3.3Å; L76-L97 HydrophobicContact CD2-CD1 3.47Å; L76-L97 VanDerWaalsContact CD2-CD1 3.47Å; L76-L97 HydrophobicContact CD2-CG 4.18Å; G77-L97 CarbonylContact O-C 3.5Å; V95-L97 HydrophobicContact CG1-CD2 4.04Å; V95-L97 HydrophobicContact CG1-CG 4.49Å; L97-T114 WeakPolarHBondContact CA-OG1 3.5Å; L97-T114 HydrophobicContact CD2-CG2 3.61Å |
| 98 | G | 83.3 | Confident | 76.4 | Confident | 9 Ų | 9 | 27.7 Ų | 27.7 | 9% | 0.093 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -178.7 | -163.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | G77 I96 I113 T114 G115 | G77-G98 WeakPolarHBondContact O-CA 3.4Å; G77-G98 PolarHBondContact O-N 3.44Å; I96-G98 PolarHBondContact O-N 3.38Å; G98-I113 VanDerWaalsContact O-CG2 3.3Å; G98-I113 WeakPolarHBondContact O-CG2 3.45Å; G98-T114 PolarHBondContact N-OG1 2.95Å; G98-G115 VanDerWaalsContact O-CA 3.28Å; G98-G115 WeakPolarHBondContact O-CA 3.49Å; G98-G115 PolarHBondContact O-N 3.04Å |
| 99 | N | 88.8 | Confident | 76.5 | Confident | 62 Ų | 62 | 25.7 Ų | 25.7 | 33% | 0.332 | 15% | 0.152 | S | C | . | . | trans | -80.7 | 146.3 | 177.8 | -58.8 | -48.6 | 0 | 0 | 0 | 111.5 | N78 L79 G115 S116 | N78-N99 CarbonylContact C-O 3.53Å; N78-N99 VanDerWaalsContact CA-O 3.24Å; N78-N99 WeakPolarHBondContact CA-O 3.38Å; N78-N99 WeakPolarHBondContact OD1-CB 3.29Å; N78-N99 PolarHBondContact OD1-N 2.98Å; N78-N99 PolarHBondContact OD1-ND2 3.25Å; L79-N99 PolarHBondContact N-O 3.17Å; N99-G115 WeakPolarHBondContact OD1-CA 3.39Å; N99-S116 CarbonylContact C-O 3.6Å; N99-S116 VanDerWaalsContact CA-O 3.23Å; N99-S116 WeakPolarHBondContact CA-O 3.16Å; N99-S116 WeakPolarHBondContact CB-O 3.13Å; N99-S116 PolarHBondContact OD1-N 3.39Å | ||
| 100 | V | 90.4 | Very high | 76.9 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.8 | 171.3 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | L79 I85 I96 I105 I113 S116 I117 N118 | L79-V100 HydrophobicContact CB-CG2 4.28Å; L79-V100 HydrophobicContact CD2-CG1 4.24Å; L79-V100 HydrophobicContact CG-CG1 4.48Å; L79-V100 CarbonylContact O-C 3.18Å; L79-V100 VanDerWaalsContact O-CA 3.25Å; L79-V100 WeakPolarHBondContact O-CA 3.26Å; I85-V100 HydrophobicContact CD1-CG1 3.68Å; I96-V100 HydrophobicContact CB-CG2 4.05Å; I96-V100 HydrophobicContact CD1-CG2 4.12Å; I96-V100 HydrophobicContact CG1-CG2 4.02Å; I96-V100 HydrophobicContact CG2-CG2 3.88Å; V100-I105 HydrophobicContact CG1-CD1 3.77Å; V100-I113 HydrophobicContact CB-CD1 4.26Å; V100-I113 HydrophobicContact CG2-CD1 3.54Å; V100-I113 HydrophobicContact CG2-CG1 3.86Å; V100-I113 HydrophobicContact CG2-CG2 3.92Å; V100-S116 PolarHBondContact N-O 3.27Å; V100-I117 HydrophobicContact CB-CG1 4.4Å; V100-I117 CarbonylContact O-C 3.54Å; V100-I117 WeakPolarHBondContact O-CA 3.47Å; V100-N118 PolarHBondContact O-N 2.73Å |
| 101 | T | 92.1 | Very high | 78 | Confident | 54 Ų | 54 | 21.1 Ų | 21.1 | 33% | 0.331 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.1 | 175.3 | -41.1 | 0 | 0 | 0 | 0 | 109.3 | L79 T80 V81 N118 | L79-T101 PolarHBondContact O-N 2.62Å; T80-T101 CarbonylContact C-O 3.53Å; T80-T101 WeakPolarHBondContact CA-O 3.22Å; V81-T101 PolarHBondContact N-O 3.04Å; T101-N118 CarbonylContact C-O 3.58Å; T101-N118 WeakPolarHBondContact CA-O 3.24Å; T101-N118 HydrophobicContact CG2-CB 4.17Å; T101-N118 WeakPolarHBondContact CG2-O 3.39Å |
| 102 | A | 89.2 | Confident | 78.8 | Confident | 7 Ų | 7 | 17.8 Ų | 17.8 | 6% | 0.058 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 173.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V81 I85 I105 N118 A119 S120 | V81-A102 HydrophobicContact CB-CB 4.43Å; V81-A102 VanDerWaalsContact O-CA 3.31Å; V81-A102 WeakPolarHBondContact O-CA 3.44Å; I85-A102 HydrophobicContact CD1-CB 3.84Å; I85-A102 HydrophobicContact CG1-CB 3.93Å; A102-I105 HydrophobicContact CB-CD1 4Å; A102-I105 HydrophobicContact CB-CG1 3.55Å; A102-N118 PolarHBondContact N-O 3.43Å; A102-A119 WeakPolarHBondContact O-CA 3.46Å; A102-S120 PolarHBondContact O-N 3.36Å; A102-S120 VanDerWaalsContact O-N 3.12Å |
| 103 | T | 82.4 | Confident | 79.5 | Confident | 51 Ų | 51 | 16.4 Ų | 16.4 | 31% | 0.313 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -82.1 | -56.4 | 167.6 | -54.4 | 0 | 0 | 0 | 0 | 110.2 | G83 S120 G121 | G83-T103 WeakPolarHBondContact O-CB 3.44Å; G83-T103 PolarHBondContact O-N 2.84Å; G83-T103 PolarHBondContact O-OG1 3.04Å; T103-S120 WeakPolarHBondContact CA-OG 3.45Å; T103-S120 PolarHBondContact O-N 3.42Å; T103-G121 WeakPolarHBondContact O-CA 3.37Å; T103-G121 PolarHBondContact O-N 3.37Å |
| 104 | N | 78.8 | Confident | 79.8 | Confident | 30 Ų | 30 | 17.2 Ų | 17.2 | 16% | 0.16 | 10% | 0.101 | C | C | . | . | trans | -131.5 | 150.4 | 168.1 | -57.4 | -76.3 | 0 | 0 | 0 | 108.7 | N84 I85 G121 L122 | N84-N104 CarbonylContact C-O 3.57Å; N84-N104 VanDerWaalsContact CA-O 3.29Å; N84-N104 WeakPolarHBondContact CA-O 3.43Å; N84-N104 HydrophobicContact CB-CB 4.45Å; N84-N104 WeakPolarHBondContact OD1-CB 3.34Å; N84-N104 PolarHBondContact OD1-N 3.06Å; N84-N104 PolarHBondContact OD1-ND2 2.75Å; I85-N104 PolarHBondContact N-O 3.26Å; N104-G121 WeakPolarHBondContact OD1-CA 3.43Å; N104-L122 CarbonylContact C-O 3.47Å; N104-L122 WeakPolarHBondContact CA-O 3.34Å; N104-L122 PolarHBondContact OD1-N 3.19Å | ||
| 105 | I | 82.6 | Confident | 79.7 | Confident | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.015 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.5 | 172.8 | -57.9 | -177.5 | 0 | 0 | 0 | 107.3 | I85 V100 A102 T107 I117 L122 V123 F124 | I85-I105 HydrophobicContact CB-CG1 4.26Å; I85-I105 HydrophobicContact CB-CG2 4.36Å; I85-I105 HydrophobicContact CD1-CD1 4.33Å; I85-I105 HydrophobicContact CD1-CG1 4.22Å; I85-I105 HydrophobicContact CG2-CG2 4.44Å; I85-I105 CarbonylContact O-C 3.59Å; I85-I105 WeakPolarHBondContact O-CA 3.33Å; V100-I105 HydrophobicContact CG1-CD1 3.77Å; A102-I105 HydrophobicContact CB-CD1 4Å; A102-I105 HydrophobicContact CB-CG1 3.55Å; I105-T107 HydrophobicContact CG2-CG2 4.25Å; I105-I117 HydrophobicContact CD1-CG2 3.45Å; I105-I117 VanDerWaalsContact CD1-CG2 3.45Å; I105-L122 PolarHBondContact N-O 3.11Å; I105-V123 HydrophobicContact CB-CG2 4.28Å; I105-V123 HydrophobicContact CD1-CG2 4.4Å; I105-V123 HydrophobicContact CG1-CG2 4.47Å; I105-V123 CarbonylContact O-C 3.57Å; I105-V123 WeakPolarHBondContact O-CA 2.99Å; I105-F124 PolarHBondContact O-N 3.11Å |
| 106 | V | 78.2 | Confident | 80 | Confident | 7 Ų | 7 | 18.3 Ų | 18.3 | 4% | 0.042 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 106.7 | -179.9 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | I85 S86 T87 F88 F124 I201 | I85-V106 PolarHBondContact O-N 2.95Å; S86-V106 VanDerWaalsContact CA-O 3.22Å; S86-V106 WeakPolarHBondContact CA-O 3.4Å; T87-V106 PolarHBondContact N-O 3.43Å; F88-V106 HydrophobicContact CZ-CG1 4.37Å; V106-F124 CarbonylContact C-O 3.1Å; V106-F124 WeakPolarHBondContact CA-O 3.4Å; V106-F124 HydrophobicContact CB-CB 4.45Å; V106-F124 HydrophobicContact CG1-CB 4.31Å; V106-F124 HydrophobicContact CG1-CD1 3.95Å; V106-F124 HydrophobicContact CG1-CG 4.39Å; V106-F124 HydrophobicContact CG2-CB 4.22Å; V106-I201 HydrophobicContact CG1-CD1 4.35Å; V106-I201 HydrophobicContact CG1-CG1 4.38Å; V106-I201 HydrophobicContact CG1-CG2 3.58Å; V106-I201 HydrophobicContact CG2-CD1 4.07Å |
| 107 | T | 73.2 | Confident | 80.1 | Confident | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 137.3 | -173.6 | 176.7 | 0 | 0 | 0 | 0 | 112 | T87 I105 S109 L111 F124 I125 D126 | T87-T107 WeakPolarHBondContact O-CA 3.44Å; T87-T107 WeakPolarHBondContact OG1-CB 3.45Å; T87-T107 PolarHBondContact OG1-OG1 2.66Å; I105-T107 HydrophobicContact CG2-CG2 4.25Å; T107-S109 WeakPolarHBondContact OG1-CA 3.28Å; T107-S109 WeakPolarHBondContact OG1-CB 3.5Å; T107-S109 PolarHBondContact OG1-N 3.35Å; T107-S109 PolarHBondContact OG1-O 2.89Å; T107-L111 HydrophobicContact CG2-CD1 3.37Å; T107-L111 HydrophobicContact CG2-CD2 4.45Å; T107-L111 HydrophobicContact CG2-CG 3.83Å; T107-F124 PolarHBondContact N-O 3.39Å; T107-I125 HydrophobicContact CG2-CB 4.24Å; T107-I125 HydrophobicContact CG2-CG1 3.85Å; T107-I125 HydrophobicContact CG2-CG2 4.18Å; T107-I125 WeakPolarHBondContact O-CA 3.44Å; T107-D126 PolarHBondContact O-N 2.97Å |
| 108 | D | 70.5 | Confident | 80.5 | Confident | 28 Ų | 28 | 19.7 Ų | 19.7 | 15% | 0.15 | 12% | 0.119 | C | C | . | . | trans | -107.7 | -1.5 | 158.8 | 59.4 | 20 | 0 | 0 | 0 | 111.7 | T87 F88 S89 D126 | T87-D108 PolarHBondContact O-N 3.03Å; T87-D108 VanDerWaalsContact O-N 3.16Å; T87-D108 VanDerWaalsContact O-OD1 3.04Å; F88-D108 WeakPolarHBondContact CA-OD1 3.11Å; F88-D108 WeakPolarHBondContact CA-OD2 3.4Å; S89-D108 PolarHBondContact N-OD1 3.43Å; D108-D126 VanDerWaalsContact CA-O 3.29Å; D108-D126 WeakPolarHBondContact CA-O 3.28Å | ||
| 109 | S | 69.2 | Low | 80.6 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.007 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -76.4 | 141.1 | 172.6 | -65.9 | 0 | 0 | 0 | 0 | 110.6 | S89 T107 L111 | S89-S109 PolarHBondContact N-OG 2.95Å; S89-S109 WeakPolarHBondContact O-CA 3.24Å; S89-S109 WeakPolarHBondContact O-CB 3.44Å; S89-S109 PolarHBondContact O-OG 3.4Å; T107-S109 WeakPolarHBondContact OG1-CA 3.28Å; T107-S109 WeakPolarHBondContact OG1-CB 3.5Å; T107-S109 PolarHBondContact OG1-N 3.35Å; T107-S109 PolarHBondContact OG1-O 2.89Å; S109-L111 PolarHBondContact O-N 3.5Å |
| 110 | P | 69.7 | Low | 80 | Confident | 7 Ų | 7 | 20.6 Ų | 20.6 | 5% | 0.045 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -60.1 | 119.9 | 172.3 | -18.3 | 28.9 | 0 | 0 | 0 | 110.7 | P93 W94 N131 | P93-P110 VanDerWaalsContact CA-O 3.3Å; P93-P110 WeakPolarHBondContact CA-O 3.38Å; P93-P110 HydrophobicContact CB-CB 4.22Å; W94-P110 PolarHBondContact N-O 3.47Å; P110-N131 HydrophobicContact CB-CB 4.05Å; P110-N131 WeakPolarHBondContact CB-O 2.98Å; P110-N131 HydrophobicContact CG-CB 3.56Å; P110-N131 WeakPolarHBondContact CG-O 3.39Å |
| 111 | L | 76.4 | Confident | 79.1 | Confident | 7 Ų | 7 | 20.8 Ų | 20.8 | 4% | 0.037 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 129.2 | 176.2 | -65.8 | -177.9 | 0 | 0 | 0 | 110.4 | W94 T107 S109 I113 I125 S133 T134 | W94-L111 HydrophobicContact CB-CD2 3.77Å; W94-L111 HydrophobicContact CG-CD2 4.37Å; T107-L111 HydrophobicContact CG2-CD1 3.37Å; T107-L111 HydrophobicContact CG2-CD2 4.45Å; T107-L111 HydrophobicContact CG2-CG 3.83Å; S109-L111 PolarHBondContact O-N 3.5Å; L111-I113 HydrophobicContact CB-CD1 4.33Å; L111-I113 HydrophobicContact CB-CG1 4.5Å; L111-I113 HydrophobicContact CD1-CD1 4.18Å; L111-I125 HydrophobicContact CD1-CD1 4.28Å; L111-S133 PolarHBondContact N-OG 2.9Å; L111-S133 VanDerWaalsContact N-OG 3.12Å; L111-S133 CarbonylContact O-C 3.57Å; L111-S133 VanDerWaalsContact O-CA 3.23Å; L111-S133 WeakPolarHBondContact O-CA 3.49Å; L111-T134 PolarHBondContact O-N 3.34Å |
| 112 | L | 74.2 | Confident | 78 | Confident | 10 Ų | 10 | 19.2 Ų | 19.2 | 5% | 0.052 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 113.3 | 163.8 | -175.1 | 128.2 | 0 | 0 | 0 | 110.3 | V13 V17 W94 V95 I96 T134 | V13-L112 HydrophobicContact CB-CD2 4.19Å; V13-L112 HydrophobicContact CG1-CD1 4.11Å; V13-L112 HydrophobicContact CG1-CD2 3.51Å; V13-L112 HydrophobicContact CG1-CG 4.42Å; V13-L112 HydrophobicContact CG2-CD1 4.43Å; V13-L112 HydrophobicContact CG2-CD2 3.62Å; V17-L112 HydrophobicContact CG2-CB 4.13Å; V17-L112 HydrophobicContact CG2-CD1 3.26Å; V17-L112 HydrophobicContact CG2-CG 4.23Å; W94-L112 PolarHBondContact O-N 3.22Å; V95-L112 CarbonylContact C-O 3.55Å; V95-L112 WeakPolarHBondContact CA-O 3.28Å; V95-L112 HydrophobicContact CG1-CD2 3.8Å; V95-L112 HydrophobicContact CG2-CB 4.42Å; I96-L112 PolarHBondContact N-O 3.4Å; L112-T134 CarbonylContact C-O 3.54Å; L112-T134 VanDerWaalsContact CA-O 3.31Å; L112-T134 WeakPolarHBondContact CA-O 3.4Å; L112-T134 HydrophobicContact CD1-CG2 4.35Å |
| 113 | I | 79.9 | Confident | 77.5 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 118.9 | -176.3 | -59 | 168.8 | 0 | 0 | 0 | 108.9 | I96 G98 V100 L111 G115 I117 T134 I135 K136 | I96-I113 HydrophobicContact CB-CG1 4.3Å; I96-I113 HydrophobicContact CD1-CG1 3.98Å; I96-I113 CarbonylContact O-C 3.49Å; I96-I113 WeakPolarHBondContact O-CA 3.31Å; G98-I113 VanDerWaalsContact O-CG2 3.3Å; G98-I113 WeakPolarHBondContact O-CG2 3.45Å; V100-I113 HydrophobicContact CB-CD1 4.26Å; V100-I113 HydrophobicContact CG2-CD1 3.54Å; V100-I113 HydrophobicContact CG2-CG1 3.86Å; V100-I113 HydrophobicContact CG2-CG2 3.92Å; L111-I113 HydrophobicContact CB-CD1 4.33Å; L111-I113 HydrophobicContact CB-CG1 4.5Å; L111-I113 HydrophobicContact CD1-CD1 4.18Å; I113-G115 WeakPolarHBondContact CG2-O 3.08Å; I113-I117 HydrophobicContact CD1-CD1 3.67Å; I113-I117 HydrophobicContact CD1-CG1 3.67Å; I113-T134 PolarHBondContact N-O 3.46Å; I113-I135 HydrophobicContact CB-CG1 4.48Å; I113-I135 HydrophobicContact CB-CG2 4.42Å; I113-I135 HydrophobicContact CD1-CG1 4.38Å; I113-I135 WeakPolarHBondContact O-CA 3.22Å; I113-K136 PolarHBondContact O-N 3.26Å |
| 114 | T | 74.7 | Confident | 77.2 | Confident | 37 Ų | 37 | 17.3 Ų | 17.3 | 23% | 0.227 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -82.4 | -18.8 | 178.5 | 66 | 0 | 0 | 0 | 0 | 113.7 | I96 L97 G98 | I96-T114 PolarHBondContact O-N 2.86Å; L97-T114 WeakPolarHBondContact CA-OG1 3.5Å; L97-T114 HydrophobicContact CD2-CG2 3.61Å; G98-T114 PolarHBondContact N-OG1 2.95Å |
| 115 | G | 80.1 | Confident | 77.1 | Confident | 12 Ų | 12 | 16 Ų | 16 | 12% | 0.124 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -103.2 | -159.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G98 N99 I113 G137 | G98-G115 VanDerWaalsContact O-CA 3.28Å; G98-G115 WeakPolarHBondContact O-CA 3.49Å; G98-G115 PolarHBondContact O-N 3.04Å; N99-G115 WeakPolarHBondContact OD1-CA 3.39Å; I113-G115 WeakPolarHBondContact CG2-O 3.08Å; G115-G137 VanDerWaalsContact O-CA 3.22Å; G115-G137 WeakPolarHBondContact O-CA 3.5Å; G115-G137 PolarHBondContact O-N 3.5Å |
| 116 | S | 83.2 | Confident | 76.4 | Confident | 25 Ų | 25 | 16.3 Ų | 16.3 | 18% | 0.175 | 10% | 0.102 | C | C | . | . | trans | -89.6 | 150.1 | 178.8 | -67.1 | 0 | 0 | 0 | 0 | 112.7 | N99 V100 S138 | N99-S116 CarbonylContact C-O 3.6Å; N99-S116 VanDerWaalsContact CA-O 3.23Å; N99-S116 WeakPolarHBondContact CA-O 3.16Å; N99-S116 WeakPolarHBondContact CB-O 3.13Å; N99-S116 PolarHBondContact OD1-N 3.39Å; V100-S116 PolarHBondContact N-O 3.27Å; S116-S138 CarbonylContact C-O 3.24Å; S116-S138 WeakPolarHBondContact CA-O 3.2Å; S116-S138 WeakPolarHBondContact CB-O 3.41Å; S116-S138 PolarHBondContact OG-N 3.14Å; S116-S138 PolarHBondContact OG-OG 3.18Å | ||
| 117 | I | 86 | Confident | 75.5 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 126.5 | 166 | -64.7 | -179.4 | 0 | 0 | 0 | 108.7 | V100 I105 I113 V123 I125 I135 S138 I139 N140 | V100-I117 HydrophobicContact CB-CG1 4.4Å; V100-I117 CarbonylContact O-C 3.54Å; V100-I117 WeakPolarHBondContact O-CA 3.47Å; I105-I117 HydrophobicContact CD1-CG2 3.45Å; I105-I117 VanDerWaalsContact CD1-CG2 3.45Å; I113-I117 HydrophobicContact CD1-CD1 3.67Å; I113-I117 HydrophobicContact CD1-CG1 3.67Å; I117-V123 HydrophobicContact CG2-CG2 3.74Å; I117-I125 HydrophobicContact CD1-CD1 4.33Å; I117-I135 HydrophobicContact CD1-CD1 3.59Å; I117-I135 HydrophobicContact CD1-CG1 4.18Å; I117-I135 HydrophobicContact CD1-CG2 4.41Å; I117-I135 HydrophobicContact CG1-CG2 4.34Å; I117-S138 PolarHBondContact N-O 3.43Å; I117-I139 HydrophobicContact CB-CB 4.42Å; I117-I139 HydrophobicContact CB-CG1 4.25Å; I117-I139 HydrophobicContact CB-CG2 4.13Å; I117-I139 HydrophobicContact CD1-CD1 4.42Å; I117-I139 HydrophobicContact CD1-CG1 4.25Å; I117-I139 HydrophobicContact CG2-CG2 4.14Å; I117-I139 CarbonylContact O-C 3.6Å; I117-I139 WeakPolarHBondContact O-CA 3.48Å; I117-N140 PolarHBondContact O-N 3.09Å |
| 118 | N | 88.6 | Confident | 74.6 | Confident | 57 Ų | 57 | 23.1 Ų | 23.1 | 31% | 0.305 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 99.1 | 171.9 | -71.4 | -55 | 0 | 0 | 0 | 109.4 | V100 T101 A102 N140 | V100-N118 PolarHBondContact O-N 2.73Å; T101-N118 CarbonylContact C-O 3.58Å; T101-N118 WeakPolarHBondContact CA-O 3.24Å; T101-N118 HydrophobicContact CG2-CB 4.17Å; T101-N118 WeakPolarHBondContact CG2-O 3.39Å; A102-N118 PolarHBondContact N-O 3.43Å; N118-N140 CarbonylContact C-O 3.44Å; N118-N140 WeakPolarHBondContact CA-O 3.36Å; N118-N140 VanDerWaalsContact OD1-CB 3.26Å; N118-N140 WeakPolarHBondContact OD1-CB 3.46Å |
| 119 | A | 83.8 | Confident | 73.4 | Confident | 9 Ų | 9 | 28.2 Ų | 28.2 | 7% | 0.074 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | A102 G121 V123 N140 A141 | A102-A119 WeakPolarHBondContact O-CA 3.46Å; A119-G121 VanDerWaalsContact C-N 3.29Å; A119-G121 PolarHBondContact O-N 3.47Å; A119-V123 HydrophobicContact CB-CG2 3.55Å; A119-N140 PolarHBondContact N-O 3.33Å; A119-A141 HydrophobicContact CB-CB 3.93Å; A119-A141 VanDerWaalsContact O-CA 3.3Å; A119-A141 WeakPolarHBondContact O-CA 3.49Å |
| 120 | S | 77.9 | Confident | 72.5 | Confident | 80 Ų | 80 | 34.9 Ų | 34.9 | 56% | 0.559 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -75.9 | -17.2 | 175.4 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | A102 T103 | A102-S120 PolarHBondContact O-N 3.36Å; A102-S120 VanDerWaalsContact O-N 3.12Å; T103-S120 WeakPolarHBondContact CA-OG 3.45Å; T103-S120 PolarHBondContact O-N 3.42Å |
| 121 | G | 70.7 | Confident | 71.7 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 7% | 0.072 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -121.8 | -114.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | T103 N104 A119 R142 G143 | T103-G121 WeakPolarHBondContact O-CA 3.37Å; T103-G121 PolarHBondContact O-N 3.37Å; N104-G121 WeakPolarHBondContact OD1-CA 3.43Å; A119-G121 VanDerWaalsContact C-N 3.29Å; A119-G121 PolarHBondContact O-N 3.47Å; G121-R142 WeakPolarHBondContact O-CA 3.48Å; G121-R142 WeakPolarHBondContact O-CB 3.41Å; G121-R142 PolarHBondContact O-N 2.99Å; G121-G143 PolarHBondContact O-N 3.13Å; G121-G143 VanDerWaalsContact O-N 3.09Å |
| 122 | L | 69.8 | Low | 70.7 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 12% | 0.115 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 138.3 | -171.9 | -171.5 | 74.3 | 0 | 0 | 0 | 112.1 | N104 I105 F124 G143 F145 F162 L198 | N104-L122 CarbonylContact C-O 3.47Å; N104-L122 WeakPolarHBondContact CA-O 3.34Å; N104-L122 PolarHBondContact OD1-N 3.19Å; I105-L122 PolarHBondContact N-O 3.11Å; L122-F124 HydrophobicContact CD2-CB 4.4Å; L122-G143 CarbonylContact C-O 3.59Å; L122-G143 WeakPolarHBondContact CA-O 3.01Å; L122-F145 HydrophobicContact CD1-CD2 4.08Å; L122-F145 HydrophobicContact CD1-CE2 4.5Å; L122-F162 HydrophobicContact CD1-CE2 4.11Å; L122-F162 HydrophobicContact CD1-CZ 3.78Å; L122-L198 HydrophobicContact CD2-CD2 4.31Å |
| 123 | V | 77.8 | Confident | 70.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 118.2 | 163.2 | 174 | 0 | 0 | 0 | 0 | 108.3 | I105 I117 A119 I125 I139 A141 G143 I144 F145 | I105-V123 HydrophobicContact CB-CG2 4.28Å; I105-V123 HydrophobicContact CD1-CG2 4.4Å; I105-V123 HydrophobicContact CG1-CG2 4.47Å; I105-V123 CarbonylContact O-C 3.57Å; I105-V123 WeakPolarHBondContact O-CA 2.99Å; I117-V123 HydrophobicContact CG2-CG2 3.74Å; A119-V123 HydrophobicContact CB-CG2 3.55Å; V123-I125 HydrophobicContact CG1-CD1 3.99Å; V123-I125 HydrophobicContact CG1-CG1 3.98Å; V123-I139 HydrophobicContact CB-CG2 4.21Å; V123-I139 HydrophobicContact CG1-CG2 4.11Å; V123-I139 HydrophobicContact CG2-CG2 4.05Å; V123-A141 HydrophobicContact CB-CB 4.12Å; V123-A141 HydrophobicContact CG2-CB 3.48Å; V123-A141 VanDerWaalsContact CG2-CB 3.48Å; V123-G143 PolarHBondContact N-O 2.97Å; V123-I144 CarbonylContact O-C 3.58Å; V123-I144 WeakPolarHBondContact O-CA 3.11Å; V123-F145 PolarHBondContact O-N 2.99Å |
| 124 | F | 76.3 | Confident | 69.6 | Low | 18 Ų | 18 | 39.7 Ų | 39.7 | 8% | 0.079 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 116.8 | 179.8 | -177.4 | -83.9 | 0 | 0 | 0 | 108.8 | I105 V106 T107 L122 D126 F145 I207 A210 | I105-F124 PolarHBondContact O-N 3.11Å; V106-F124 CarbonylContact C-O 3.1Å; V106-F124 WeakPolarHBondContact CA-O 3.4Å; V106-F124 HydrophobicContact CB-CB 4.45Å; V106-F124 HydrophobicContact CG1-CB 4.31Å; V106-F124 HydrophobicContact CG1-CD1 3.95Å; V106-F124 HydrophobicContact CG1-CG 4.39Å; V106-F124 HydrophobicContact CG2-CB 4.22Å; T107-F124 PolarHBondContact N-O 3.39Å; L122-F124 HydrophobicContact CD2-CB 4.4Å; F124-D126 HydrophobicContact CE1-CB 3.9Å; F124-D126 HydrophobicContact CZ-CB 4.33Å; F124-F145 CarbonylContact C-O 3.58Å; F124-F145 WeakPolarHBondContact CA-O 3.46Å; F124-F145 HydrophobicContact CD2-CB 3.54Å; F124-F145 HydrophobicContact CD2-CG 4.14Å; F124-F145 HydrophobicContact CE2-CB 4.02Å; F124-F145 HydrophobicContact CE2-CG 4.45Å; F124-F145 HydrophobicContact CG-CB 4.4Å; F124-I207 HydrophobicContact CE1-CD1 3.49Å; F124-I207 VanDerWaalsContact CE1-CD1 3.49Å; F124-I207 HydrophobicContact CZ-CD1 3.46Å; F124-I207 VanDerWaalsContact CZ-CD1 3.46Å; F124-I207 HydrophobicContact CZ-CG2 4.24Å; F124-A210 HydrophobicContact CE2-CB 3.57Å; F124-A210 HydrophobicContact CZ-CB 4.08Å |
| 125 | I | 75.6 | Confident | 69.5 | Low | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 121.1 | -179 | -53.1 | 178.7 | 0 | 0 | 0 | 109.3 | T107 L111 I117 V123 I135 F145 I146 N147 | T107-I125 HydrophobicContact CG2-CB 4.24Å; T107-I125 HydrophobicContact CG2-CG1 3.85Å; T107-I125 HydrophobicContact CG2-CG2 4.18Å; T107-I125 WeakPolarHBondContact O-CA 3.44Å; L111-I125 HydrophobicContact CD1-CD1 4.28Å; I117-I125 HydrophobicContact CD1-CD1 4.33Å; V123-I125 HydrophobicContact CG1-CD1 3.99Å; V123-I125 HydrophobicContact CG1-CG1 3.98Å; I125-I135 HydrophobicContact CD1-CD1 3.55Å; I125-F145 PolarHBondContact N-O 3.03Å; I125-I146 CarbonylContact O-C 3.57Å; I125-I146 WeakPolarHBondContact O-CA 3.16Å; I125-N147 PolarHBondContact O-N 3.17Å |
| 126 | D | 69 | Low | 68.7 | Low | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.053 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 80.8 | 177.7 | -173.2 | 26.9 | 0 | 0 | 0 | 110.6 | T107 D108 F124 N147 I207 | T107-D126 PolarHBondContact O-N 2.97Å; D108-D126 VanDerWaalsContact CA-O 3.29Å; D108-D126 WeakPolarHBondContact CA-O 3.28Å; F124-D126 HydrophobicContact CE1-CB 3.9Å; F124-D126 HydrophobicContact CZ-CB 4.33Å; D126-N147 WeakPolarHBondContact OD1-CB 3.43Å; D126-N147 PolarHBondContact OD1-ND2 2.87Å; D126-I207 HydrophobicContact CB-CD1 3.91Å; D126-I207 WeakPolarHBondContact OD2-CD1 3.28Å; D126-I207 VanDerWaalsContact OD2-CG1 3.31Å; D126-I207 WeakPolarHBondContact OD2-CG1 3.5Å |
| 127 | S | 58.9 | Low | 68 | Low | 5 Ų | 5 | 43.3 Ų | 43.3 | 4% | 0.035 | 22% | 0.221 | C | C | . | . | trans | -93.8 | 124 | 178.7 | 13.3 | 0 | 0 | 0 | 0 | 111.2 | S133 N147 D148 | S127-S133 WeakPolarHBondContact OG-CB 3.31Å; S127-S133 PolarHBondContact OG-N 3.02Å; S127-S133 PolarHBondContact OG-OG 3.04Å; S127-N147 PolarHBondContact N-O 3.49Å; S127-D148 WeakPolarHBondContact CB-OD2 3.32Å; S127-D148 PolarHBondContact OG-OD2 3.47Å | ||
| 128 | Y | 54.9 | Low | 67.2 | Low | 146 Ų | 146 | 44.7 Ų | 44.7 | 57% | 0.573 | 23% | 0.231 | S | C | * | . | trans | -75.8 | 161 | 177.2 | -96.1 | -101.2 | 0 | 0 | 0 | 113.2 | L90 D130 N131 | L90-Y128 HydrophobicContact CD2-CD2 3.92Å; L90-Y128 HydrophobicContact CD2-CG 4.15Å; Y128-D130 PolarHBondContact O-N 2.95Å; Y128-N131 PolarHBondContact O-N 3.17Å | ||
| 129 | Y | 45.2 | Very low | 66.6 | Low | 135 Ų | 135 | 42 Ų | 42 | 53% | 0.529 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -42.5 | -30.3 | -173.6 | -84.6 | -95.1 | 0 | 0 | 0 | 116.4 | I149 I150 | Y129-I149 HydrophobicContact CD2-CD1 4.03Å; Y129-I149 HydrophobicContact CE1-CB 4.3Å; Y129-I149 HydrophobicContact CE1-CD1 4.44Å; Y129-I149 HydrophobicContact CE1-CG2 3.9Å; Y129-I149 HydrophobicContact CE2-CD1 3.28Å; Y129-I149 HydrophobicContact CE2-CG1 4.47Å; Y129-I150 HydrophobicContact CD1-CD1 3.48Å; Y129-I150 VanDerWaalsContact CD1-CD1 3.48Å; Y129-I150 HydrophobicContact CD1-CG1 4.08Å; Y129-I150 HydrophobicContact CE1-CD1 4.28Å; Y129-I150 HydrophobicContact CE1-CG1 4.49Å; Y129-I150 HydrophobicContact CG-CD1 4.1Å; Y129-I150 WeakPolarHBondContact O-CD1 3.45Å |
| 130 | D | 50 | Low | 66.2 | Low | 142 Ų | 142 | 43.6 Ų | 43.6 | 76% | 0.759 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -16.4 | -169.3 | -59.3 | -29.9 | 0 | 0 | 0 | 114.6 | Y128 | Y128-D130 PolarHBondContact O-N 2.95Š|
| 131 | N | 52.8 | Low | 65.9 | Low | 61 Ų | 61 | 40 Ų | 40 | 33% | 0.326 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -151.5 | 88.5 | 178.1 | -85.9 | -54.6 | 0 | 0 | 0 | 111 | P110 Y128 | P110-N131 HydrophobicContact CB-CB 4.05Å; P110-N131 WeakPolarHBondContact CB-O 2.98Å; P110-N131 HydrophobicContact CG-CB 3.56Å; P110-N131 WeakPolarHBondContact CG-O 3.39Å; Y128-N131 PolarHBondContact O-N 3.17Å |
| 132 | P | 55.7 | Low | 65.6 | Low | 34 Ų | 34 | 42.9 Ų | 42.9 | 22% | 0.221 | 21% | 0.207 | C | C | . | . | trans | -77.3 | 150.6 | -173.3 | 34.4 | -37.8 | 0 | 0 | 0 | 112.5 | D148 I150 A151 | P132-D148 VanDerWaalsContact CB-OD1 3.3Å; P132-D148 WeakPolarHBondContact CB-OD1 3.4Å; P132-I150 HydrophobicContact CB-CB 4.48Å; P132-A151 HydrophobicContact CB-CB 3.57Å; P132-A151 HydrophobicContact CG-CB 4.12Å | ||
| 133 | S | 65.6 | Low | 65.3 | Low | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -79.3 | 128.7 | 179.5 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | L111 S127 D148 A151 | L111-S133 PolarHBondContact N-OG 2.9Å; L111-S133 VanDerWaalsContact N-OG 3.12Å; L111-S133 CarbonylContact O-C 3.57Å; L111-S133 VanDerWaalsContact O-CA 3.23Å; L111-S133 WeakPolarHBondContact O-CA 3.49Å; S127-S133 WeakPolarHBondContact OG-CB 3.31Å; S127-S133 PolarHBondContact OG-N 3.02Å; S127-S133 PolarHBondContact OG-OG 3.04Å; S133-D148 PolarHBondContact N-OD2 3.27Å; S133-A151 WeakPolarHBondContact O-CB 3.26Å | ||
| 134 | T | 64.9 | Low | 64.9 | Low | 32 Ų | 32 | 42 Ų | 42 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 111.5 | -179.9 | -54.9 | 0 | 0 | 0 | 0 | 111 | L111 L112 I113 | L111-T134 PolarHBondContact O-N 3.34Å; L112-T134 CarbonylContact C-O 3.54Å; L112-T134 VanDerWaalsContact CA-O 3.31Å; L112-T134 WeakPolarHBondContact CA-O 3.4Å; L112-T134 HydrophobicContact CD1-CG2 4.35Å; I113-T134 PolarHBondContact N-O 3.46Å |
| 135 | I | 72.6 | Confident | 64.6 | Low | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 114.4 | 176.4 | -56 | 158.9 | 0 | 0 | 0 | 107.8 | I113 I117 I125 I139 V153 | I113-I135 HydrophobicContact CB-CG1 4.48Å; I113-I135 HydrophobicContact CB-CG2 4.42Å; I113-I135 HydrophobicContact CD1-CG1 4.38Å; I113-I135 WeakPolarHBondContact O-CA 3.22Å; I117-I135 HydrophobicContact CD1-CD1 3.59Å; I117-I135 HydrophobicContact CD1-CG1 4.18Å; I117-I135 HydrophobicContact CD1-CG2 4.41Å; I117-I135 HydrophobicContact CG1-CG2 4.34Å; I125-I135 HydrophobicContact CD1-CD1 3.55Å; I135-I139 HydrophobicContact CD1-CD1 3.73Å; I135-I139 HydrophobicContact CD1-CG1 4.34Å; I135-I139 HydrophobicContact CG2-CG1 4.37Å; I135-V153 HydrophobicContact CB-CG1 4.46Å; I135-V153 HydrophobicContact CD1-CG1 4.24Å |
| 136 | K | 64.4 | Low | 64.2 | Low | 134 Ų | 134 | 42 Ų | 42 | 58% | 0.583 | 20% | 0.203 | S | C | * | . | trans | -84.4 | -21.8 | -178.9 | -74.4 | -167.4 | 173.7 | -174.9 | 0 | 113.9 | I113 | I113-K136 PolarHBondContact O-N 3.26Š| ||
| 137 | G | 67 | Low | 63.9 | Low | 14 Ų | 14 | 43.7 Ų | 43.7 | 14% | 0.144 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -100.1 | -173.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G115 | G115-G137 VanDerWaalsContact O-CA 3.22Å; G115-G137 WeakPolarHBondContact O-CA 3.5Å; G115-G137 PolarHBondContact O-N 3.5Å |
| 138 | S | 70.4 | Confident | 63.7 | Low | 28 Ų | 28 | 44.2 Ų | 44.2 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | trans | -73.7 | 153.3 | 177.8 | 53 | 0 | 0 | 0 | 0 | 113.1 | S116 I117 S156 | S116-S138 CarbonylContact C-O 3.24Å; S116-S138 WeakPolarHBondContact CA-O 3.2Å; S116-S138 WeakPolarHBondContact CB-O 3.41Å; S116-S138 PolarHBondContact OG-N 3.14Å; S116-S138 PolarHBondContact OG-OG 3.18Å; I117-S138 PolarHBondContact N-O 3.43Å; S138-S156 CarbonylContact C-O 3.47Å; S138-S156 VanDerWaalsContact CA-O 3.25Å; S138-S156 WeakPolarHBondContact CA-O 3.37Å; S138-S156 WeakPolarHBondContact CB-O 3.46Å; S138-S156 WeakPolarHBondContact CB-OG 3.41Å | ||
| 139 | I | 74.4 | Confident | 63.4 | Low | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 114 | 170.4 | -55.3 | 177 | 0 | 0 | 0 | 107.9 | I117 V123 I135 I144 I146 V153 A155 S156 S157 | I117-I139 HydrophobicContact CB-CB 4.42Å; I117-I139 HydrophobicContact CB-CG1 4.25Å; I117-I139 HydrophobicContact CB-CG2 4.13Å; I117-I139 HydrophobicContact CD1-CD1 4.42Å; I117-I139 HydrophobicContact CD1-CG1 4.25Å; I117-I139 HydrophobicContact CG2-CG2 4.14Å; I117-I139 CarbonylContact O-C 3.6Å; I117-I139 WeakPolarHBondContact O-CA 3.48Å; V123-I139 HydrophobicContact CB-CG2 4.21Å; V123-I139 HydrophobicContact CG1-CG2 4.11Å; V123-I139 HydrophobicContact CG2-CG2 4.05Å; I135-I139 HydrophobicContact CD1-CD1 3.73Å; I135-I139 HydrophobicContact CD1-CG1 4.34Å; I135-I139 HydrophobicContact CG2-CG1 4.37Å; I139-I144 HydrophobicContact CB-CD1 3.89Å; I139-I144 HydrophobicContact CG2-CD1 3.52Å; I139-I144 HydrophobicContact CG2-CG1 3.93Å; I139-I146 HydrophobicContact CD1-CD1 3.69Å; I139-V153 HydrophobicContact CD1-CG1 4.38Å; I139-A155 HydrophobicContact CB-CB 4.46Å; I139-A155 HydrophobicContact CD1-CB 3.64Å; I139-A155 HydrophobicContact CG1-CB 3.9Å; I139-S156 PolarHBondContact N-O 2.89Å; I139-S157 WeakPolarHBondContact O-CA 3.44Å |
| 140 | N | 77.3 | Confident | 63.4 | Low | 44 Ų | 44 | 39.1 Ų | 39.1 | 24% | 0.235 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 103.1 | 178.6 | -152.8 | 5.7 | 0 | 0 | 0 | 108.6 | I117 N118 A119 N159 | I117-N140 PolarHBondContact O-N 3.09Å; N118-N140 CarbonylContact C-O 3.44Å; N118-N140 WeakPolarHBondContact CA-O 3.36Å; N118-N140 VanDerWaalsContact OD1-CB 3.26Å; N118-N140 WeakPolarHBondContact OD1-CB 3.46Å; A119-N140 PolarHBondContact N-O 3.33Å; N140-N159 WeakPolarHBondContact OD1-CB 3.34Å |
| 141 | A | 71.5 | Confident | 63 | Low | 3 Ų | 3 | 33.1 Ų | 33.1 | 3% | 0.025 | 18% | 0.175 | C | C | . | . | trans | -150.4 | 149.3 | -178 | 0 | 0 | 0 | 0 | 0 | 110.2 | A119 V123 G143 I144 S160 | A119-A141 HydrophobicContact CB-CB 3.93Å; A119-A141 VanDerWaalsContact O-CA 3.3Å; A119-A141 WeakPolarHBondContact O-CA 3.49Å; V123-A141 HydrophobicContact CB-CB 4.12Å; V123-A141 HydrophobicContact CG2-CB 3.48Å; V123-A141 VanDerWaalsContact CG2-CB 3.48Å; A141-G143 VanDerWaalsContact C-N 3.3Å; A141-G143 PolarHBondContact O-N 2.92Å; A141-I144 HydrophobicContact CB-CG1 4.04Å; A141-S160 WeakPolarHBondContact O-CA 3.4Å; A141-S160 VanDerWaalsContact O-CB 3.25Å; A141-S160 WeakPolarHBondContact O-CB 3.35Å; A141-S160 PolarHBondContact O-OG 2.94Å | ||
| 142 | R | 64.5 | Low | 62.4 | Low | 69 Ų | 69 | 35.5 Ų | 35.5 | 26% | 0.26 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -56.2 | -44.7 | 173.5 | -95.2 | -175.4 | 137.7 | -176.6 | -13.4 | 111.2 | G121 E161 F162 L191 | G121-R142 WeakPolarHBondContact O-CA 3.48Å; G121-R142 WeakPolarHBondContact O-CB 3.41Å; G121-R142 PolarHBondContact O-N 2.99Å; R142-E161 HydrophobicContact CB-CG 4.45Å; R142-E161 HydrophobicContact CG-CG 4.14Å; R142-E161 IonicContact CZ-OE1 3.07Å; R142-E161 IonicContact CZ-OE2 3.3Å; R142-E161 VanDerWaalsContact NE-CD 3.26Å; R142-E161 IonicContact NE-OE1 2.76Å; R142-E161 PolarHBondContact NE-OE1 3.36Å; R142-E161 IonicContact NE-OE2 3.21Å; R142-E161 PolarHBondContact NE-OE2 3.24Å; R142-E161 IonicContact NH2-OE1 2.74Å; R142-E161 PolarHBondContact NH2-OE1 3.36Å; R142-E161 IonicContact NH2-OE2 2.81Å; R142-E161 VanDerWaalsContact O-CA 3.3Å; R142-E161 WeakPolarHBondContact O-CA 3.46Å; R142-E161 WeakPolarHBondContact O-CB 3.41Å; R142-E161 PolarHBondContact O-N 3.41Å; R142-F162 PolarHBondContact O-N 2.93Å; R142-L191 VanDerWaalsContact NH1-CD1 3.27Å |
| 143 | G | 62.1 | Low | 62 | Low | 2 Ų | 2 | 34.3 Ų | 34.3 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G121 L122 V123 A141 F162 | G121-G143 PolarHBondContact O-N 3.13Å; G121-G143 VanDerWaalsContact O-N 3.09Å; L122-G143 CarbonylContact C-O 3.59Å; L122-G143 WeakPolarHBondContact CA-O 3.01Å; V123-G143 PolarHBondContact N-O 2.97Å; A141-G143 VanDerWaalsContact C-N 3.3Å; A141-G143 PolarHBondContact O-N 2.92Å; G143-F162 VanDerWaalsContact CA-CZ 3.41Å |
| 144 | I | 70.6 | Confident | 60.9 | Low | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 127.8 | 175.6 | -60.5 | 176.4 | 0 | 0 | 0 | 110.1 | V123 I139 A141 I146 S160 F162 M163 V164 | V123-I144 CarbonylContact O-C 3.58Å; V123-I144 WeakPolarHBondContact O-CA 3.11Å; I139-I144 HydrophobicContact CB-CD1 3.89Å; I139-I144 HydrophobicContact CG2-CD1 3.52Å; I139-I144 HydrophobicContact CG2-CG1 3.93Å; A141-I144 HydrophobicContact CB-CG1 4.04Å; I144-I146 HydrophobicContact CG2-CD1 3.76Å; I144-I146 HydrophobicContact CG2-CG1 3.72Å; I144-S160 WeakPolarHBondContact CD1-OG 3.44Å; I144-F162 PolarHBondContact N-O 3.33Å; I144-M163 HydrophobicContact CB-CB 4.36Å; I144-M163 HydrophobicContact CB-CG 4.13Å; I144-M163 HydrophobicContact CG2-CG 4.11Å; I144-M163 CarbonylContact O-C 3.55Å; I144-M163 VanDerWaalsContact O-CA 3.27Å; I144-M163 WeakPolarHBondContact O-CA 3.37Å; I144-V164 PolarHBondContact O-N 3.29Å |
| 145 | F | 69.6 | Low | 60 | Low | 14 Ų | 14 | 38.8 Ų | 38.8 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 120.7 | 167.9 | -85 | -89.8 | 0 | 0 | 0 | 109.1 | L122 V123 F124 I125 F162 V164 V213 | L122-F145 HydrophobicContact CD1-CD2 4.08Å; L122-F145 HydrophobicContact CD1-CE2 4.5Å; V123-F145 PolarHBondContact O-N 2.99Å; F124-F145 CarbonylContact C-O 3.58Å; F124-F145 WeakPolarHBondContact CA-O 3.46Å; F124-F145 HydrophobicContact CD2-CB 3.54Å; F124-F145 HydrophobicContact CD2-CG 4.14Å; F124-F145 HydrophobicContact CE2-CB 4.02Å; F124-F145 HydrophobicContact CE2-CG 4.45Å; F124-F145 HydrophobicContact CG-CB 4.4Å; I125-F145 PolarHBondContact N-O 3.03Å; F145-F162 AromaticContact CD2-CE2 3.68Å; F145-F162 HydrophobicContact CD2-CE2 3.68Å; F145-F162 HydrophobicContact CE2-CD2 4.05Å; F145-F162 AromaticContact CE2-CE2 3.24Å; F145-F162 HydrophobicContact CE2-CE2 3.24Å; F145-F162 AromaticContact CE2-CZ 3.99Å; F145-F162 HydrophobicContact CE2-CZ 3.99Å; F145-F162 HydrophobicContact CZ-CE2 4.15Å; F145-V164 WeakPolarHBondContact CA-O 3.29Å; F145-V164 HydrophobicContact CD1-CB 3.52Å; F145-V164 HydrophobicContact CD1-CG1 4.1Å; F145-V164 HydrophobicContact CD1-CG2 3.77Å; F145-V164 HydrophobicContact CE1-CB 3.52Å; F145-V164 HydrophobicContact CE1-CG1 3.96Å; F145-V164 HydrophobicContact CE1-CG2 3.28Å; F145-V164 HydrophobicContact CE2-CG2 4.33Å; F145-V164 HydrophobicContact CG-CB 4.26Å; F145-V164 HydrophobicContact CG-CG2 4.44Å; F145-V164 HydrophobicContact CZ-CB 4.3Å; F145-V164 HydrophobicContact CZ-CG2 3.61Å; F145-V213 HydrophobicContact CE1-CB 4.01Å; F145-V213 HydrophobicContact CE1-CG1 3.75Å; F145-V213 HydrophobicContact CE1-CG2 4.02Å; F145-V213 HydrophobicContact CZ-CB 4.03Å; F145-V213 HydrophobicContact CZ-CG1 3.47Å; F145-V213 VanDerWaalsContact CZ-CG1 3.47Å |
| 146 | I | 66.7 | Low | 58.8 | Low | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 121.7 | 178.3 | -55.7 | 175.5 | 0 | 0 | 0 | 109.4 | I125 I139 I144 D148 V153 V164 R165 A166 | I125-I146 CarbonylContact O-C 3.57Å; I125-I146 WeakPolarHBondContact O-CA 3.16Å; I139-I146 HydrophobicContact CD1-CD1 3.69Å; I144-I146 HydrophobicContact CG2-CD1 3.76Å; I144-I146 HydrophobicContact CG2-CG1 3.72Å; I146-D148 HydrophobicContact CG2-CB 4.14Å; I146-V153 HydrophobicContact CD1-CG1 4.17Å; I146-V153 HydrophobicContact CG2-CG2 4.3Å; I146-V164 PolarHBondContact N-O 3.12Å; I146-R165 WeakPolarHBondContact O-CA 3.48Å; I146-A166 PolarHBondContact O-N 3.3Å; I146-A166 VanDerWaalsContact O-N 3.09Å |
| 147 | N | 63.5 | Low | 58.2 | Low | 45 Ų | 45 | 37.9 Ų | 37.9 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 87.8 | 171.7 | -172 | 33.5 | 0 | 0 | 0 | 108 | I125 D126 S127 A166 | I125-N147 PolarHBondContact O-N 3.17Å; D126-N147 WeakPolarHBondContact OD1-CB 3.43Å; D126-N147 PolarHBondContact OD1-ND2 2.87Å; S127-N147 PolarHBondContact N-O 3.49Å; N147-A166 HydrophobicContact CB-CB 4.42Å; N147-A166 WeakPolarHBondContact OD1-CB 3.35Å; N147-A166 PolarHBondContact OD1-O 2.91Å |
| 148 | D | 54.5 | Low | 57.4 | Low | 16 Ų | 16 | 41.6 Ų | 41.6 | 9% | 0.086 | 25% | 0.246 | C | C | . | . | trans | -140.2 | 117.1 | 178.4 | -159.5 | -37.9 | 0 | 0 | 0 | 109 | S127 P132 S133 I146 I150 A151 | S127-D148 WeakPolarHBondContact CB-OD2 3.32Å; S127-D148 PolarHBondContact OG-OD2 3.47Å; P132-D148 VanDerWaalsContact CB-OD1 3.3Å; P132-D148 WeakPolarHBondContact CB-OD1 3.4Å; S133-D148 PolarHBondContact N-OD2 3.27Å; I146-D148 HydrophobicContact CG2-CB 4.14Å; D148-I150 PolarHBondContact OD1-N 3.42Å; D148-A151 PolarHBondContact OD1-N 3.2Å | ||
| 149 | I | 47.9 | Very low | 56.6 | Low | 81 Ų | 81 | 46.1 Ų | 46.1 | 42% | 0.415 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -92.8 | -10.7 | -167.3 | -54.5 | 164.6 | 0 | 0 | 0 | 111.1 | Y129 | Y129-I149 HydrophobicContact CD2-CD1 4.03Å; Y129-I149 HydrophobicContact CE1-CB 4.3Å; Y129-I149 HydrophobicContact CE1-CD1 4.44Å; Y129-I149 HydrophobicContact CE1-CG2 3.9Å; Y129-I149 HydrophobicContact CE2-CD1 3.28Å; Y129-I149 HydrophobicContact CE2-CG1 4.47Å |
| 150 | I | 46.5 | Very low | 55.7 | Low | 92 Ų | 92 | 47.3 Ų | 47.3 | 47% | 0.472 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -130.3 | -28.8 | -167.8 | -41.4 | -173.5 | 0 | 0 | 0 | 114 | Y129 P132 D148 | Y129-I150 HydrophobicContact CD1-CD1 3.48Å; Y129-I150 VanDerWaalsContact CD1-CD1 3.48Å; Y129-I150 HydrophobicContact CD1-CG1 4.08Å; Y129-I150 HydrophobicContact CE1-CD1 4.28Å; Y129-I150 HydrophobicContact CE1-CG1 4.49Å; Y129-I150 HydrophobicContact CG-CD1 4.1Å; Y129-I150 WeakPolarHBondContact O-CD1 3.45Å; P132-I150 HydrophobicContact CB-CB 4.48Å; D148-I150 PolarHBondContact OD1-N 3.42Å |
| 151 | A | 40.1 | Very low | 54.5 | Low | 16 Ų | 16 | 46.5 Ų | 46.5 | 13% | 0.132 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -85.6 | 135.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P132 S133 D148 V153 | P132-A151 HydrophobicContact CB-CB 3.57Å; P132-A151 HydrophobicContact CG-CB 4.12Å; S133-A151 WeakPolarHBondContact O-CB 3.26Å; D148-A151 PolarHBondContact OD1-N 3.2Å; A151-V153 PolarHBondContact O-N 3.1Å |
| 152 | P | 40.6 | Very low | 53.6 | Low | 112 Ų | 112 | 47.3 Ų | 47.3 | 73% | 0.727 | 27% | 0.274 | S | S | * | . | trans | -69.2 | 84.9 | 162.4 | 30.5 | -30.4 | 0 | 0 | 0 | 107.9 | V154 | P152-V154 PolarHBondContact O-N 3.3Š| ||
| 153 | V | 47.1 | Very low | 53.4 | Low | 8 Ų | 8 | 47.6 Ų | 47.6 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | trans | -64.2 | 106.2 | 168.6 | -176.1 | 0 | 0 | 0 | 0 | 106.2 | I135 I139 I146 A151 A155 R165 | I135-V153 HydrophobicContact CB-CG1 4.46Å; I135-V153 HydrophobicContact CD1-CG1 4.24Å; I139-V153 HydrophobicContact CD1-CG1 4.38Å; I146-V153 HydrophobicContact CD1-CG1 4.17Å; I146-V153 HydrophobicContact CG2-CG2 4.3Å; A151-V153 PolarHBondContact O-N 3.1Å; V153-A155 HydrophobicContact CG1-CB 3.64Å; V153-A155 PolarHBondContact O-N 3.45Å; V153-R165 PolarHBondContact O-NH2 2.95Å | ||
| 154 | V | 41.9 | Very low | 53.1 | Low | 100 Ų | 100 | 47.7 Ų | 47.7 | 61% | 0.606 | 28% | 0.279 | S | S | * | . | trans | -78.7 | 52 | 174.9 | -167.6 | 0 | 0 | 0 | 0 | 108.2 | P152 S156 | P152-V154 PolarHBondContact O-N 3.3Å; V154-S156 PolarHBondContact O-N 2.88Å | ||
| 155 | A | 47.6 | Very low | 52.4 | Low | 27 Ų | 27 | 53.1 Ų | 53.1 | 22% | 0.223 | 30% | 0.3 | C | S | . | . | trans | -80.4 | 100.6 | 177 | 0 | 0 | 0 | 0 | 0 | 108.3 | I139 V153 | I139-A155 HydrophobicContact CB-CB 4.46Å; I139-A155 HydrophobicContact CD1-CB 3.64Å; I139-A155 HydrophobicContact CG1-CB 3.9Å; V153-A155 HydrophobicContact CG1-CB 3.64Å; V153-A155 PolarHBondContact O-N 3.45Å | ||
| 156 | S | 45.7 | Very low | 51.6 | Low | 72 Ų | 72 | 53 Ų | 53 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | trans | -79 | 121 | 150.8 | 59.4 | 0 | 0 | 0 | 0 | 107.5 | S138 I139 V154 | S138-S156 CarbonylContact C-O 3.47Å; S138-S156 VanDerWaalsContact CA-O 3.25Å; S138-S156 WeakPolarHBondContact CA-O 3.37Å; S138-S156 WeakPolarHBondContact CB-O 3.46Å; S138-S156 WeakPolarHBondContact CB-OG 3.41Å; I139-S156 PolarHBondContact N-O 2.89Å; V154-S156 PolarHBondContact O-N 2.88Å | ||
| 157 | S | 52.4 | Low | 50.8 | Low | 45 Ų | 45 | 56 Ų | 56 | 32% | 0.315 | 32% | 0.323 | S | S | . | . | trans | -93.9 | 132.3 | 163.4 | 163.2 | 0 | 0 | 0 | 0 | 108 | I139 S160 | I139-S157 WeakPolarHBondContact O-CA 3.44Å; S157-S160 WeakPolarHBondContact OG-CB 2.97Å; S157-S160 PolarHBondContact OG-N 3.05Å; S157-S160 PolarHBondContact OG-OG 3.39Å | ||
| 158 | T | 49.8 | Very low | 49.7 | Very low | 91 Ų | 91 | 59.2 Ų | 59.2 | 56% | 0.558 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -101.4 | -27.7 | 177.8 | 40.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 159 | N | 55 | Low | 49.3 | Very low | 124 Ų | 124 | 68.7 Ų | 68.7 | 66% | 0.663 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -144.4 | 30.6 | -174.5 | -70.3 | -31.2 | 0 | 0 | 0 | 114.8 | N140 | N140-N159 WeakPolarHBondContact OD1-CB 3.34Š|
| 160 | S | 54.3 | Low | 49.4 | Very low | 24 Ų | 24 | 68.5 Ų | 68.5 | 17% | 0.168 | 38% | 0.381 | C | S | . | . | trans | -75.5 | 134.9 | 178.2 | -59.5 | 0 | 0 | 0 | 0 | 113.6 | A141 I144 S157 | A141-S160 WeakPolarHBondContact O-CA 3.4Å; A141-S160 VanDerWaalsContact O-CB 3.25Å; A141-S160 WeakPolarHBondContact O-CB 3.35Å; A141-S160 PolarHBondContact O-OG 2.94Å; I144-S160 WeakPolarHBondContact CD1-OG 3.44Å; S157-S160 WeakPolarHBondContact OG-CB 2.97Å; S157-S160 PolarHBondContact OG-N 3.05Å; S157-S160 PolarHBondContact OG-OG 3.39Å | ||
| 161 | E | 52.4 | Low | 49.4 | Very low | 28 Ų | 28 | 68.8 Ų | 68.8 | 13% | 0.131 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -70.2 | -31.7 | 172.2 | -64 | 179.3 | 164.2 | 0 | 0 | 111.7 | R142 I182 A186 | R142-E161 HydrophobicContact CB-CG 4.45Å; R142-E161 HydrophobicContact CG-CG 4.14Å; R142-E161 IonicContact CZ-OE1 3.07Å; R142-E161 IonicContact CZ-OE2 3.3Å; R142-E161 VanDerWaalsContact NE-CD 3.26Å; R142-E161 IonicContact NE-OE1 2.76Å; R142-E161 PolarHBondContact NE-OE1 3.36Å; R142-E161 IonicContact NE-OE2 3.21Å; R142-E161 PolarHBondContact NE-OE2 3.24Å; R142-E161 IonicContact NH2-OE1 2.74Å; R142-E161 PolarHBondContact NH2-OE1 3.36Å; R142-E161 IonicContact NH2-OE2 2.81Å; R142-E161 VanDerWaalsContact O-CA 3.3Å; R142-E161 WeakPolarHBondContact O-CA 3.46Å; R142-E161 WeakPolarHBondContact O-CB 3.41Å; R142-E161 PolarHBondContact O-N 3.41Å; E161-I182 WeakPolarHBondContact O-CA 3.47Å; E161-A186 HydrophobicContact CB-CB 3.52Å; E161-A186 HydrophobicContact CG-CB 3.63Å |
| 162 | F | 53.4 | Low | 49.9 | Very low | 20 Ų | 20 | 72.3 Ų | 72.3 | 9% | 0.088 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 153.8 | 169 | 64 | -95.1 | 0 | 0 | 0 | 112.4 | L122 R142 G143 I144 F145 I182 | L122-F162 HydrophobicContact CD1-CE2 4.11Å; L122-F162 HydrophobicContact CD1-CZ 3.78Å; R142-F162 PolarHBondContact O-N 2.93Å; G143-F162 VanDerWaalsContact CA-CZ 3.41Å; I144-F162 PolarHBondContact N-O 3.33Å; F145-F162 AromaticContact CD2-CE2 3.68Å; F145-F162 HydrophobicContact CD2-CE2 3.68Å; F145-F162 HydrophobicContact CE2-CD2 4.05Å; F145-F162 AromaticContact CE2-CE2 3.24Å; F145-F162 HydrophobicContact CE2-CE2 3.24Å; F145-F162 AromaticContact CE2-CZ 3.99Å; F145-F162 HydrophobicContact CE2-CZ 3.99Å; F145-F162 HydrophobicContact CZ-CE2 4.15Å; F162-I182 HydrophobicContact CB-CG1 4.44Å |
| 163 | M | 58.8 | Low | 50.4 | Low | 75 Ų | 75 | 70.5 Ų | 70.5 | 37% | 0.369 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 133.2 | 174.1 | -177.4 | -179.3 | 75.9 | 0 | 0 | 110.8 | I144 | I144-M163 HydrophobicContact CB-CB 4.36Å; I144-M163 HydrophobicContact CB-CG 4.13Å; I144-M163 HydrophobicContact CG2-CG 4.11Å; I144-M163 CarbonylContact O-C 3.55Å; I144-M163 VanDerWaalsContact O-CA 3.27Å; I144-M163 WeakPolarHBondContact O-CA 3.37Å |
| 164 | V | 56.6 | Low | 50.3 | Low | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.018 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 122.1 | 172.1 | -169.3 | 0 | 0 | 0 | 0 | 109.7 | I144 F145 I146 N174 A178 M209 | I144-V164 PolarHBondContact O-N 3.29Å; F145-V164 WeakPolarHBondContact CA-O 3.29Å; F145-V164 HydrophobicContact CD1-CB 3.52Å; F145-V164 HydrophobicContact CD1-CG1 4.1Å; F145-V164 HydrophobicContact CD1-CG2 3.77Å; F145-V164 HydrophobicContact CE1-CB 3.52Å; F145-V164 HydrophobicContact CE1-CG1 3.96Å; F145-V164 HydrophobicContact CE1-CG2 3.28Å; F145-V164 HydrophobicContact CE2-CG2 4.33Å; F145-V164 HydrophobicContact CG-CB 4.26Å; F145-V164 HydrophobicContact CG-CG2 4.44Å; F145-V164 HydrophobicContact CZ-CB 4.3Å; F145-V164 HydrophobicContact CZ-CG2 3.61Å; I146-V164 PolarHBondContact N-O 3.12Å; V164-N174 HydrophobicContact CG1-CB 4.44Å; V164-A178 HydrophobicContact CG2-CB 3.59Å; V164-M209 HydrophobicContact CG1-CE 4.04Å |
| 165 | R | 56.7 | Low | 50.7 | Low | 115 Ų | 115 | 67.2 Ų | 67.2 | 43% | 0.434 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.3 | 174 | -131.2 | -173 | -169.7 | 179.4 | 5 | 108.9 | I146 V153 N174 | I146-R165 WeakPolarHBondContact O-CA 3.48Å; V153-R165 PolarHBondContact O-NH2 2.95Å; R165-N174 PolarHBondContact O-ND2 3.44Å |
| 166 | A | 52.3 | Low | 50.8 | Low | 11 Ų | 11 | 72.3 Ų | 72.3 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | trans | -101.3 | 95.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I146 N147 M209 | I146-A166 PolarHBondContact O-N 3.3Å; I146-A166 VanDerWaalsContact O-N 3.09Å; N147-A166 HydrophobicContact CB-CB 4.42Å; N147-A166 WeakPolarHBondContact OD1-CB 3.35Å; N147-A166 PolarHBondContact OD1-O 2.91Å; A166-M209 HydrophobicContact CB-CE 3.48Å; A166-M209 VanDerWaalsContact CB-CE 3.48Å; A166-M209 HydrophobicContact CB-SD 3.71Å | ||
| 167 | S | 49.6 | Very low | 51 | Low | 70 Ų | 70 | 72.9 Ų | 72.9 | 49% | 0.49 | 38% | 0.375 | S | S | . | . | trans | -127.6 | -15.3 | 169.7 | 59.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 168 | D | 41 | Very low | 50.7 | Low | 113 Ų | 113 | 70.8 Ų | 70.8 | 60% | 0.604 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -122 | 141 | -173.3 | -70.6 | -48.5 | 0 | 0 | 0 | 111.9 | N170 | D168-N170 PolarHBondContact O-N 3.16Š|
| 169 | K | 45 | Very low | 50.6 | Low | 215 Ų | 215 | 67.2 Ų | 67.2 | 94% | 0.935 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -51.7 | 6.5 | -169.4 | -74.4 | 172.4 | 173.1 | 171 | 0 | 117.9 | ||
| 170 | N | 50.5 | Low | 50.4 | Low | 78 Ų | 78 | 65.2 Ų | 65.2 | 42% | 0.417 | 33% | 0.325 | S | S | . | . | trans | -116.7 | 78.8 | 177.7 | -85.2 | -15.7 | 0 | 0 | 0 | 112.2 | D168 T172 E173 N174 | D168-N170 PolarHBondContact O-N 3.16Å; N170-T172 PolarHBondContact O-N 3.04Å; N170-T172 VanDerWaalsContact O-N 3.11Å; N170-E173 HydrophobicContact CB-CB 3.88Å; N170-E173 HydrophobicContact CB-CG 4.13Å; N170-E173 PolarHBondContact ND2-OE2 3.43Å; N170-E173 PolarHBondContact O-N 3.15Å; N170-N174 PolarHBondContact O-N 3.29Å | ||
| 171 | D | 47 | Very low | 50.1 | Low | 97 Ų | 97 | 68.2 Ų | 68.2 | 52% | 0.519 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -48.4 | -40.7 | 172.3 | -71.5 | -15 | 0 | 0 | 0 | 112.2 | N174 V175 | D171-N174 PolarHBondContact O-N 3.49Å; D171-V175 VanDerWaalsContact O-CG2 3.23Å; D171-V175 WeakPolarHBondContact O-CG2 3.26Å; D171-V175 PolarHBondContact O-N 3.16Å |
| 172 | T | 50.3 | Low | 50 | Low | 91 Ų | 91 | 67.1 Ų | 67.1 | 56% | 0.558 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -69.2 | -33.7 | -177.7 | -36.3 | 0 | 0 | 0 | 0 | 113.2 | N170 K176 | N170-T172 PolarHBondContact O-N 3.04Å; N170-T172 VanDerWaalsContact O-N 3.11Å; T172-K176 PolarHBondContact O-N 3.14Å |
| 173 | E | 50.3 | Low | 49.7 | Very low | 73 Ų | 73 | 68.4 Ų | 68.4 | 34% | 0.341 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -75.3 | -37.5 | 177.2 | -84.2 | -163 | 123.1 | 0 | 0 | 111.9 | N170 V175 K176 K177 | N170-E173 HydrophobicContact CB-CB 3.88Å; N170-E173 HydrophobicContact CB-CG 4.13Å; N170-E173 PolarHBondContact ND2-OE2 3.43Å; N170-E173 PolarHBondContact O-N 3.15Å; E173-V175 VanDerWaalsContact C-N 3.27Å; E173-V175 PolarHBondContact O-N 3.36Å; E173-K176 CarbonylContact O-C 3.53Å; E173-K176 WeakPolarHBondContact O-CB 3.39Å; E173-K176 PolarHBondContact O-N 2.88Å; E173-K176 VanDerWaalsContact O-N 3.09Å; E173-K177 WeakPolarHBondContact O-CB 3.46Å; E173-K177 WeakPolarHBondContact O-CG 3.33Å; E173-K177 PolarHBondContact O-N 2.91Å |
| 174 | N | 46.5 | Very low | 49.1 | Very low | 27 Ų | 27 | 65.5 Ų | 65.5 | 14% | 0.144 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65 | -35.1 | 177.7 | -71.2 | -28.7 | 0 | 0 | 0 | 111.2 | V164 R165 N170 D171 A178 | V164-N174 HydrophobicContact CG1-CB 4.44Å; R165-N174 PolarHBondContact O-ND2 3.44Å; N170-N174 PolarHBondContact O-N 3.29Å; D171-N174 PolarHBondContact O-N 3.49Å; N174-A178 VanDerWaalsContact O-CB 3.29Å; N174-A178 WeakPolarHBondContact O-CB 3.41Å; N174-A178 PolarHBondContact O-N 3.27Å |
| 175 | V | 48.7 | Very low | 48.6 | Very low | 12 Ų | 12 | 70.3 Ų | 70.3 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 169.7 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | D171 E173 A178 L179 V213 Q216 | D171-V175 VanDerWaalsContact O-CG2 3.23Å; D171-V175 WeakPolarHBondContact O-CG2 3.26Å; D171-V175 PolarHBondContact O-N 3.16Å; E173-V175 VanDerWaalsContact C-N 3.27Å; E173-V175 PolarHBondContact O-N 3.36Å; V175-A178 PolarHBondContact O-N 2.9Å; V175-L179 HydrophobicContact CG1-CD1 4.03Å; V175-L179 VanDerWaalsContact O-CG 3.27Å; V175-L179 WeakPolarHBondContact O-CG 3.43Å; V175-L179 PolarHBondContact O-N 2.93Å; V175-V213 HydrophobicContact CG2-CG2 3.66Å; V175-Q216 HydrophobicContact CG1-CB 4.4Å; V175-Q216 HydrophobicContact CG1-CG 4.37Å |
| 176 | K | 50.1 | Low | 48.3 | Very low | 134 Ų | 134 | 64.8 Ų | 64.8 | 58% | 0.583 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.5 | -47.5 | 175.9 | -78.3 | -177.8 | 174.6 | -175.2 | 0 | 112.1 | T172 E173 A178 L179 M180 | T172-K176 PolarHBondContact O-N 3.14Å; E173-K176 CarbonylContact O-C 3.53Å; E173-K176 WeakPolarHBondContact O-CB 3.39Å; E173-K176 PolarHBondContact O-N 2.88Å; E173-K176 VanDerWaalsContact O-N 3.09Å; K176-A178 VanDerWaalsContact C-N 3.28Å; K176-A178 PolarHBondContact O-N 3.42Å; K176-L179 WeakPolarHBondContact O-CB 3.35Å; K176-L179 PolarHBondContact O-N 2.82Å; K176-M180 VanDerWaalsContact O-CG 3.3Å; K176-M180 WeakPolarHBondContact O-CG 3.37Å; K176-M180 PolarHBondContact O-N 3.41Å |
| 177 | K | 49.4 | Very low | 48.1 | Very low | 85 Ų | 85 | 65.5 Ų | 65.5 | 37% | 0.37 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.2 | -41.1 | 176 | -74.6 | 174.8 | 177.2 | 169.3 | 0 | 110.5 | E173 M180 I181 D358 | E173-K177 WeakPolarHBondContact O-CB 3.46Å; E173-K177 WeakPolarHBondContact O-CG 3.33Å; E173-K177 PolarHBondContact O-N 2.91Å; K177-M180 WeakPolarHBondContact O-CB 3.33Å; K177-M180 PolarHBondContact O-N 2.94Å; K177-I181 WeakPolarHBondContact O-CD1 3.28Å; K177-I181 VanDerWaalsContact O-CG1 3.23Å; K177-I181 WeakPolarHBondContact O-CG1 3.35Å; K177-I181 PolarHBondContact O-N 3.13Å; K177-D358 IonicContact NZ-OD2 3.9Å; K177-D358 PolarHBondContact NZ-OD2 2.76Å |
| 178 | A | 46.5 | Very low | 48.2 | Very low | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V164 N174 V175 K176 M180 I181 I182 M217 | V164-A178 HydrophobicContact CG2-CB 3.59Å; N174-A178 VanDerWaalsContact O-CB 3.29Å; N174-A178 WeakPolarHBondContact O-CB 3.41Å; N174-A178 PolarHBondContact O-N 3.27Å; V175-A178 PolarHBondContact O-N 2.9Å; K176-A178 VanDerWaalsContact C-N 3.28Å; K176-A178 PolarHBondContact O-N 3.42Å; A178-M180 PolarHBondContact O-N 2.93Å; A178-I181 PolarHBondContact O-N 2.93Å; A178-I182 PolarHBondContact O-N 3.13Å; A178-M217 HydrophobicContact CB-CE 4.3Å |
| 179 | L | 49 | Very low | 48.4 | Very low | 16 Ų | 16 | 65 Ų | 65 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.7 | -29.4 | 174.6 | -71.4 | 163.9 | 0 | 0 | 0 | 112.4 | V175 K176 I181 I182 M217 L222 | V175-L179 HydrophobicContact CG1-CD1 4.03Å; V175-L179 VanDerWaalsContact O-CG 3.27Å; V175-L179 WeakPolarHBondContact O-CG 3.43Å; V175-L179 PolarHBondContact O-N 2.93Å; K176-L179 WeakPolarHBondContact O-CB 3.35Å; K176-L179 PolarHBondContact O-N 2.82Å; L179-I181 VanDerWaalsContact C-N 3.35Å; L179-I182 HydrophobicContact CD2-CD1 4.06Å; L179-M217 HydrophobicContact CD2-CG 3.83Å; L179-L222 HydrophobicContact CD2-CD1 3.44Å; L179-L222 VanDerWaalsContact CD2-CD1 3.44Å |
| 180 | M | 49 | Very low | 48.3 | Very low | 82 Ų | 82 | 56.9 Ų | 56.9 | 40% | 0.404 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -75.3 | -19.3 | 174.6 | -65.8 | 174.5 | 87.8 | 0 | 0 | 113.6 | K176 K177 A178 Q283 | K176-M180 VanDerWaalsContact O-CG 3.3Å; K176-M180 WeakPolarHBondContact O-CG 3.37Å; K176-M180 PolarHBondContact O-N 3.41Å; K177-M180 WeakPolarHBondContact O-CB 3.33Å; K177-M180 PolarHBondContact O-N 2.94Å; A178-M180 PolarHBondContact O-N 2.93Å; M180-Q283 PolarHBondContact O-NE2 3.17Å; M180-Q283 PolarHBondContact O-OE1 3.29Å |
| 181 | I | 48.9 | Very low | 47.9 | Very low | 87 Ų | 87 | 59.5 Ų | 59.5 | 45% | 0.446 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -91.6 | -16.7 | -177.1 | -62.6 | 160.4 | 0 | 0 | 0 | 112.2 | K177 A178 L179 N183 | K177-I181 WeakPolarHBondContact O-CD1 3.28Å; K177-I181 VanDerWaalsContact O-CG1 3.23Å; K177-I181 WeakPolarHBondContact O-CG1 3.35Å; K177-I181 PolarHBondContact O-N 3.13Å; A178-I181 PolarHBondContact O-N 2.93Å; L179-I181 VanDerWaalsContact C-N 3.35Å; I181-N183 PolarHBondContact O-N 3.05Å |
| 182 | I | 49.8 | Very low | 47.9 | Very low | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | trans | -54.7 | 108.5 | -177 | -60.4 | 176.5 | 0 | 0 | 0 | 110.7 | E161 F162 A178 L179 A186 M217 L222 F223 | E161-I182 WeakPolarHBondContact O-CA 3.47Å; F162-I182 HydrophobicContact CB-CG1 4.44Å; A178-I182 PolarHBondContact O-N 3.13Å; L179-I182 HydrophobicContact CD2-CD1 4.06Å; I182-A186 HydrophobicContact CG2-CB 3.88Å; I182-M217 HydrophobicContact CD1-CE 4.34Å; I182-L222 HydrophobicContact CD1-CD1 4.11Å; I182-L222 HydrophobicContact CD1-CD2 4.34Å; I182-F223 HydrophobicContact CD1-CE2 4.46Å; I182-F223 HydrophobicContact CD1-CZ 4.33Å | ||
| 183 | N | 47 | Very low | 47.4 | Very low | 48 Ų | 48 | 60.1 Ų | 60.1 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | trans | -59.2 | 134.6 | 175.2 | -174 | 12.9 | 0 | 0 | 0 | 109 | I181 D185 A186 R264 | I181-N183 PolarHBondContact O-N 3.05Å; N183-D185 PolarHBondContact ND2-OD2 3.48Å; N183-D185 PolarHBondContact O-N 3.01Å; N183-D185 PolarHBondContact OD1-OD2 3.36Å; N183-A186 HydrophobicContact CB-CB 4.5Å; N183-A186 WeakPolarHBondContact O-CA 3.49Å; N183-A186 WeakPolarHBondContact O-CB 3.28Å; N183-A186 PolarHBondContact O-N 2.75Å; N183-R264 PolarHBondContact OD1-NH1 3.42Å; N183-R264 PolarHBondContact OD1-NH2 3.46Å | ||
| 184 | P | 46.4 | Very low | 47.5 | Very low | 13 Ų | 13 | 60.8 Ų | 60.8 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -50.5 | -29.6 | 174.2 | -4.2 | -8.8 | 0 | 0 | 0 | 114.3 | A186 Y187 R260 | P184-A186 PolarHBondContact O-N 3.14Å; P184-Y187 WeakPolarHBondContact O-CB 3.46Å; P184-Y187 PolarHBondContact O-N 3.1Å; P184-R260 HydrophobicContact CG-CB 4.1Å |
| 185 | D | 47 | Very low | 47.6 | Very low | 104 Ų | 104 | 64 Ų | 64 | 56% | 0.556 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -64.5 | -21.8 | 173.5 | -53.9 | -37.6 | 0 | 0 | 0 | 113.1 | N183 Y187 | N183-D185 PolarHBondContact ND2-OD2 3.48Å; N183-D185 PolarHBondContact O-N 3.01Å; N183-D185 PolarHBondContact OD1-OD2 3.36Å; D185-Y187 VanDerWaalsContact C-N 3.32Å; D185-Y187 PolarHBondContact O-N 2.88Å |
| 186 | A | 49.1 | Very low | 47.7 | Very low | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -81.4 | -4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | E161 I182 N183 P184 Y188 F223 | E161-A186 HydrophobicContact CB-CB 3.52Å; E161-A186 HydrophobicContact CG-CB 3.63Å; I182-A186 HydrophobicContact CG2-CB 3.88Å; N183-A186 HydrophobicContact CB-CB 4.5Å; N183-A186 WeakPolarHBondContact O-CA 3.49Å; N183-A186 WeakPolarHBondContact O-CB 3.28Å; N183-A186 PolarHBondContact O-N 2.75Å; P184-A186 PolarHBondContact O-N 3.14Å; A186-Y188 PolarHBondContact O-N 3.08Å; A186-F223 WeakPolarHBondContact O-CD1 3.39Å; A186-F223 WeakPolarHBondContact O-CE1 3.48Å |
| 187 | Y | 49.3 | Very low | 47.7 | Very low | 25 Ų | 25 | 63.5 Ų | 63.5 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -61.5 | -6.6 | 180 | -141.2 | -96.9 | 0 | 0 | 0 | 113.7 | P184 D185 L222 R224 L256 A257 | P184-Y187 WeakPolarHBondContact O-CB 3.46Å; P184-Y187 PolarHBondContact O-N 3.1Å; D185-Y187 VanDerWaalsContact C-N 3.32Å; D185-Y187 PolarHBondContact O-N 2.88Å; Y187-L222 HydrophobicContact CD2-CD2 4.28Å; Y187-L222 WeakPolarHBondContact CD2-O 3.48Å; Y187-L222 HydrophobicContact CE2-CD2 3.83Å; Y187-R224 HydrophobicContact CE1-CG 4.43Å; Y187-R224 PolarHBondContact O-N 3.3Å; Y187-L256 HydrophobicContact CE2-CB 4.28Å; Y187-L256 HydrophobicContact CE2-CD2 4.29Å; Y187-A257 HydrophobicContact CG-CB 4.46Å |
| 188 | Y | 50.5 | Low | 47.8 | Very low | 91 Ų | 91 | 61.1 Ų | 61.1 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -100.8 | 110.4 | -177.6 | -65.9 | -80.5 | 0 | 0 | 0 | 113.3 | A186 P227 | A186-Y188 PolarHBondContact O-N 3.08Å; Y188-P227 HydrophobicContact CE1-CB 3.85Å; Y188-P227 HydrophobicContact CE1-CG 3.7Å |
| 189 | W | 45.6 | Very low | 48.2 | Very low | 82 Ų | 82 | 66.2 Ų | 66.2 | 31% | 0.311 | 34% | 0.342 | S | S | . | . | trans | -85 | -5.5 | -175.8 | -149.7 | 3.3 | 0 | 0 | 0 | 116.2 | L191 K218 F223 | W189-L191 PolarHBondContact O-N 3.02Å; W189-K218 HydrophobicContact CH2-CD 3.7Å; W189-K218 HydrophobicContact CH2-CG 3.71Å; W189-K218 HydrophobicContact CZ3-CD 4.23Å; W189-K218 HydrophobicContact CZ3-CG 3.92Å; W189-F223 HydrophobicContact CB-CB 3.86Å; W189-F223 HydrophobicContact CB-CD1 4.44Å; W189-F223 HydrophobicContact CD2-CB 3.79Å; W189-F223 HydrophobicContact CD2-CG 4.44Å; W189-F223 HydrophobicContact CE3-CB 3.87Å; W189-F223 HydrophobicContact CG-CB 3.78Å; W189-F223 HydrophobicContact CG-CD1 4.4Å; W189-F223 HydrophobicContact CG-CG 4.24Å | ||
| 190 | G | 43.8 | Very low | 48.4 | Very low | 44 Ų | 44 | 70.3 Ų | 70.3 | 45% | 0.454 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 10.5 | -158.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | N193 | G190-N193 PolarHBondContact O-ND2 2.97Å; G190-N193 PolarHBondContact O-OD1 3.47Å |
| 191 | L | 42.4 | Very low | 48.4 | Very low | 134 Ų | 134 | 67.8 Ų | 67.8 | 70% | 0.702 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | -18.1 | -175.7 | -90.1 | 148.7 | 0 | 0 | 0 | 115.1 | R142 W189 N193 | R142-L191 VanDerWaalsContact NH1-CD1 3.27Å; W189-L191 PolarHBondContact O-N 3.02Å; L191-N193 VanDerWaalsContact C-N 3.27Å; L191-N193 PolarHBondContact O-N 2.96Å; L191-N193 VanDerWaalsContact O-N 3.16Å |
| 192 | I | 45.5 | Very low | 48.5 | Very low | 60 Ų | 60 | 66.3 Ų | 66.3 | 31% | 0.308 | 34% | 0.339 | S | S | . | . | trans | -90.1 | 70.2 | 171.3 | -51.6 | 177 | 0 | 0 | 0 | 107.6 | D194 L198 | I192-D194 PolarHBondContact O-N 3.24Å; I192-L198 HydrophobicContact CG2-CD1 3.78Å | ||
| 193 | N | 41.3 | Very low | 48.7 | Very low | 140 Ų | 140 | 75 Ų | 75 | 75% | 0.749 | 38% | 0.377 | S | S | * | . | trans | -81.4 | 13 | -169.8 | -80 | -33 | 0 | 0 | 0 | 115.2 | G190 L191 | G190-N193 PolarHBondContact O-ND2 2.97Å; G190-N193 PolarHBondContact O-OD1 3.47Å; L191-N193 VanDerWaalsContact C-N 3.27Å; L191-N193 PolarHBondContact O-N 2.96Å; L191-N193 VanDerWaalsContact O-N 3.16Å | ||
| 194 | D | 50.9 | Low | 48.9 | Very low | 87 Ų | 87 | 79.1 Ų | 79.1 | 47% | 0.465 | 39% | 0.389 | S | S | . | . | trans | -119.3 | 77.5 | 177.9 | -152.8 | -20.1 | 0 | 0 | 0 | 110.8 | I192 D196 A197 L198 | I192-D194 PolarHBondContact O-N 3.24Å; D194-D196 PolarHBondContact O-N 3.22Å; D194-D196 PolarHBondContact OD1-N 2.84Å; D194-A197 HydrophobicContact CB-CB 3.7Å; D194-A197 VanDerWaalsContact CG-CB 3.46Å; D194-A197 PolarHBondContact O-N 2.85Å; D194-A197 PolarHBondContact OD1-N 3.03Å; D194-L198 PolarHBondContact O-N 3.12Å | ||
| 195 | E | 50 | Low | 48.9 | Very low | 95 Ų | 95 | 78.8 Ų | 78.8 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.6 | -26.1 | 175.4 | -147.1 | -168.1 | -146.2 | 0 | 0 | 111.5 | K199 K218 | E195-K199 WeakPolarHBondContact O-CG 3.31Å; E195-K199 PolarHBondContact O-N 2.9Å; E195-K199 IonicContact OE2-NZ 3.77Å; E195-K199 PolarHBondContact OE2-NZ 3.29Å; E195-K218 IonicContact OE1-NZ 3.27Å; E195-K218 PolarHBondContact OE1-NZ 3.45Å |
| 196 | D | 51.2 | Low | 48.9 | Very low | 110 Ų | 110 | 82 Ų | 82 | 59% | 0.588 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -78.4 | -40 | 176.8 | -71.9 | -32.8 | 0 | 0 | 0 | 111.4 | D194 L198 K199 E200 | D194-D196 PolarHBondContact O-N 3.22Å; D194-D196 PolarHBondContact OD1-N 2.84Å; D196-L198 PolarHBondContact O-N 3.13Å; D196-K199 PolarHBondContact O-N 3.12Å; D196-E200 WeakPolarHBondContact O-CB 3.49Å; D196-E200 PolarHBondContact O-N 3.13Å |
| 197 | A | 50 | Low | 48.9 | Very low | 25 Ų | 25 | 83.2 Ų | 83.2 | 21% | 0.207 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59 | -45 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D194 K199 E200 I201 | D194-A197 HydrophobicContact CB-CB 3.7Å; D194-A197 VanDerWaalsContact CG-CB 3.46Å; D194-A197 PolarHBondContact O-N 2.85Å; D194-A197 PolarHBondContact OD1-N 3.03Å; A197-K199 PolarHBondContact O-N 3.41Å; A197-E200 PolarHBondContact O-N 3.19Å; A197-I201 WeakPolarHBondContact O-CB 3.35Å; A197-I201 VanDerWaalsContact O-CD1 3.29Å; A197-I201 WeakPolarHBondContact O-CD1 3.39Å; A197-I201 WeakPolarHBondContact O-CG1 2.79Å; A197-I201 PolarHBondContact O-N 2.8Å |
| 198 | L | 50.3 | Low | 49 | Very low | 35 Ų | 35 | 92.2 Ų | 92.2 | 18% | 0.183 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 176.2 | -89.9 | 165.3 | 0 | 0 | 0 | 112.1 | L122 I192 D194 D196 E200 I201 F202 | L122-L198 HydrophobicContact CD2-CD2 4.31Å; I192-L198 HydrophobicContact CG2-CD1 3.78Å; D194-L198 PolarHBondContact O-N 3.12Å; D196-L198 PolarHBondContact O-N 3.13Å; L198-E200 VanDerWaalsContact C-N 3.33Å; L198-E200 PolarHBondContact O-N 2.81Å; L198-I201 PolarHBondContact O-N 3.22Å; L198-F202 HydrophobicContact CB-CE2 4.45Å; L198-F202 HydrophobicContact CD2-CE2 4.08Å; L198-F202 HydrophobicContact CD2-CZ 4.44Å; L198-F202 WeakPolarHBondContact O-CD2 3.42Å; L198-F202 WeakPolarHBondContact O-CG 3.38Å; L198-F202 PolarHBondContact O-N 3.37Å |
| 199 | K | 55.3 | Low | 48.9 | Very low | 109 Ų | 109 | 90 Ų | 90 | 47% | 0.474 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 175.2 | -81.3 | 172.6 | -175.2 | 153.7 | 0 | 112.6 | E195 D196 A197 K203 | E195-K199 WeakPolarHBondContact O-CG 3.31Å; E195-K199 PolarHBondContact O-N 2.9Å; E195-K199 IonicContact OE2-NZ 3.77Å; E195-K199 PolarHBondContact OE2-NZ 3.29Å; D196-K199 PolarHBondContact O-N 3.12Å; A197-K199 PolarHBondContact O-N 3.41Å; K199-K203 WeakPolarHBondContact O-CB 3.45Å; K199-K203 PolarHBondContact O-N 3.16Å |
| 200 | E | 53.4 | Low | 49.1 | Very low | 101 Ų | 101 | 86.3 Ų | 86.3 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -73 | -39.2 | 179.2 | -149.7 | -174.9 | 170.3 | 0 | 0 | 111.3 | D196 A197 L198 K203 R204 | D196-E200 WeakPolarHBondContact O-CB 3.49Å; D196-E200 PolarHBondContact O-N 3.13Å; A197-E200 PolarHBondContact O-N 3.19Å; L198-E200 VanDerWaalsContact C-N 3.33Å; L198-E200 PolarHBondContact O-N 2.81Å; E200-K203 WeakPolarHBondContact O-CB 3.42Å; E200-K203 PolarHBondContact O-N 3.02Å; E200-K203 VanDerWaalsContact O-N 3.12Å; E200-R204 WeakPolarHBondContact O-CG 3.42Å; E200-R204 PolarHBondContact O-N 3.25Å; E200-R204 IonicContact OE1-CZ 2.62Å; E200-R204 IonicContact OE1-NE 3.36Å; E200-R204 IonicContact OE1-NH2 3.25Å; E200-R204 PolarHBondContact OE1-NH2 2.72Å |
| 201 | I | 48 | Very low | 49.6 | Very low | 29 Ų | 29 | 85.1 Ų | 85.1 | 15% | 0.149 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.8 | -49.4 | 171 | -71.4 | 160.7 | 0 | 0 | 0 | 110.2 | F88 V106 A197 L198 K203 R204 S205 | F88-I201 HydrophobicContact CZ-CG1 4.38Å; V106-I201 HydrophobicContact CG1-CD1 4.35Å; V106-I201 HydrophobicContact CG1-CG1 4.38Å; V106-I201 HydrophobicContact CG1-CG2 3.58Å; V106-I201 HydrophobicContact CG2-CD1 4.07Å; A197-I201 WeakPolarHBondContact O-CB 3.35Å; A197-I201 VanDerWaalsContact O-CD1 3.29Å; A197-I201 WeakPolarHBondContact O-CD1 3.39Å; A197-I201 WeakPolarHBondContact O-CG1 2.79Å; A197-I201 PolarHBondContact O-N 2.8Å; L198-I201 PolarHBondContact O-N 3.22Å; I201-K203 PolarHBondContact O-N 3.37Å; I201-R204 PolarHBondContact O-N 3.2Å; I201-S205 PolarHBondContact O-N 2.9Å; I201-S205 PolarHBondContact O-OG 3.41Å; I201-S205 VanDerWaalsContact O-OG 3.07Å |
| 202 | F | 52.5 | Low | 50.3 | Low | 56 Ų | 56 | 83.2 Ų | 83.2 | 25% | 0.246 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.6 | -21.2 | 176 | -74.2 | -50.5 | 0 | 0 | 0 | 114.6 | L198 S205 A210 G211 C214 | L198-F202 HydrophobicContact CB-CE2 4.45Å; L198-F202 HydrophobicContact CD2-CE2 4.08Å; L198-F202 HydrophobicContact CD2-CZ 4.44Å; L198-F202 WeakPolarHBondContact O-CD2 3.42Å; L198-F202 WeakPolarHBondContact O-CG 3.38Å; L198-F202 PolarHBondContact O-N 3.37Å; F202-S205 VanDerWaalsContact O-O 3.11Å; F202-A210 HydrophobicContact CD1-CB 4.27Å; F202-A210 HydrophobicContact CE1-CB 3.36Å; F202-A210 HydrophobicContact CZ-CB 4.12Å; F202-A210 WeakPolarHBondContact CZ-O 3.25Å; F202-G211 VanDerWaalsContact CE1-N 3.31Å; F202-C214 HydrophobicContact CE2-CB 4.15Å; F202-C214 HydrophobicContact CZ-CB 4.22Å |
| 203 | K | 54 | Low | 50.6 | Low | 186 Ų | 186 | 80.4 Ų | 80.4 | 81% | 0.809 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -81.3 | -32.8 | 174.5 | -93.6 | -178.7 | 173.2 | 179.2 | 0 | 112.4 | K199 E200 I201 | K199-K203 WeakPolarHBondContact O-CB 3.45Å; K199-K203 PolarHBondContact O-N 3.16Å; E200-K203 WeakPolarHBondContact O-CB 3.42Å; E200-K203 PolarHBondContact O-N 3.02Å; E200-K203 VanDerWaalsContact O-N 3.12Å; I201-K203 PolarHBondContact O-N 3.37Å |
| 204 | R | 51.6 | Low | 51.3 | Low | 135 Ų | 135 | 75.9 Ų | 75.9 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -86.3 | -38.1 | -177 | -70.6 | -176.4 | -174 | -173.4 | 6.5 | 112.1 | F88 E200 I201 | F88-R204 HydrophobicContact CE1-CB 4.46Å; E200-R204 WeakPolarHBondContact O-CG 3.42Å; E200-R204 PolarHBondContact O-N 3.25Å; E200-R204 IonicContact OE1-CZ 2.62Å; E200-R204 IonicContact OE1-NE 3.36Å; E200-R204 IonicContact OE1-NH2 3.25Å; E200-R204 PolarHBondContact OE1-NH2 2.72Å; I201-R204 PolarHBondContact O-N 3.2Å |
| 205 | S | 46.3 | Very low | 51.7 | Low | 6 Ų | 6 | 76.9 Ų | 76.9 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -85.9 | 125.6 | 174 | 75.7 | 0 | 0 | 0 | 0 | 108.1 | I201 F202 I207 | I201-S205 PolarHBondContact O-N 2.9Å; I201-S205 PolarHBondContact O-OG 3.41Å; I201-S205 VanDerWaalsContact O-OG 3.07Å; F202-S205 VanDerWaalsContact O-O 3.11Å; S205-I207 PolarHBondContact O-N 3Å; S205-I207 VanDerWaalsContact OG-CD1 3.32Å; S205-I207 WeakPolarHBondContact OG-CD1 3.36Å; S205-I207 WeakPolarHBondContact OG-CG1 2.97Å |
| 206 | N | 45.3 | Very low | 52 | Low | 173 Ų | 173 | 76.2 Ų | 76.2 | 93% | 0.925 | 37% | 0.369 | S | S | * | . | trans | -70.7 | 29.6 | -176.7 | -135.1 | -7 | 0 | 0 | 0 | 112.3 | R208 | N206-R208 PolarHBondContact O-N 3.33Š| ||
| 207 | I | 51 | Low | 52.2 | Low | 24 Ų | 24 | 71.4 Ų | 71.4 | 12% | 0.123 | 34% | 0.343 | C | S | . | . | trans | -96 | 87.8 | -159.2 | -53.1 | 176.1 | 0 | 0 | 0 | 109.4 | F124 D126 S205 M209 A210 | F124-I207 HydrophobicContact CE1-CD1 3.49Å; F124-I207 VanDerWaalsContact CE1-CD1 3.49Å; F124-I207 HydrophobicContact CZ-CD1 3.46Å; F124-I207 VanDerWaalsContact CZ-CD1 3.46Å; F124-I207 HydrophobicContact CZ-CG2 4.24Å; D126-I207 HydrophobicContact CB-CD1 3.91Å; D126-I207 WeakPolarHBondContact OD2-CD1 3.28Å; D126-I207 VanDerWaalsContact OD2-CG1 3.31Å; D126-I207 WeakPolarHBondContact OD2-CG1 3.5Å; S205-I207 PolarHBondContact O-N 3Å; S205-I207 VanDerWaalsContact OG-CD1 3.32Å; S205-I207 WeakPolarHBondContact OG-CD1 3.36Å; S205-I207 WeakPolarHBondContact OG-CG1 2.97Å; I207-M209 HydrophobicContact CG2-CB 4.31Å; I207-M209 PolarHBondContact O-N 3.49Å; I207-A210 HydrophobicContact CG2-CB 3.98Å | ||
| 208 | R | 49.7 | Very low | 52.5 | Low | 215 Ų | 215 | 74.7 Ų | 74.7 | 81% | 0.811 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -57.6 | -30.5 | 175.9 | -151.8 | 177.2 | -176 | -173.2 | 0.7 | 113 | N206 N212 | N206-R208 PolarHBondContact O-N 3.33Å; R208-N212 PolarHBondContact O-N 3.35Å; R208-N212 PolarHBondContact O-ND2 3.3Å |
| 209 | M | 49.7 | Very low | 52.9 | Low | 43 Ų | 43 | 82 Ų | 82 | 21% | 0.212 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.8 | -48.5 | -174.7 | -172.2 | -174.2 | 142 | 0 | 0 | 112.5 | V164 A166 I207 N212 V213 | V164-M209 HydrophobicContact CG1-CE 4.04Å; A166-M209 HydrophobicContact CB-CE 3.48Å; A166-M209 VanDerWaalsContact CB-CE 3.48Å; A166-M209 HydrophobicContact CB-SD 3.71Å; I207-M209 HydrophobicContact CG2-CB 4.31Å; I207-M209 PolarHBondContact O-N 3.49Å; M209-N212 WeakPolarHBondContact O-CB 3.38Å; M209-N212 PolarHBondContact O-N 3.42Å; M209-V213 VanDerWaalsContact O-CG2 3.31Å; M209-V213 WeakPolarHBondContact O-CG2 3.44Å; M209-V213 PolarHBondContact O-N 3.38Å |
| 210 | A | 50 | Low | 52.9 | Low | 5 Ų | 5 | 82.3 Ų | 82.3 | 4% | 0.041 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -76.5 | -29.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F124 F202 I207 N212 V213 C214 | F124-A210 HydrophobicContact CE2-CB 3.57Å; F124-A210 HydrophobicContact CZ-CB 4.08Å; F202-A210 HydrophobicContact CD1-CB 4.27Å; F202-A210 HydrophobicContact CE1-CB 3.36Å; F202-A210 HydrophobicContact CZ-CB 4.12Å; F202-A210 WeakPolarHBondContact CZ-O 3.25Å; I207-A210 HydrophobicContact CG2-CB 3.98Å; A210-N212 VanDerWaalsContact C-N 3.33Å; A210-N212 PolarHBondContact O-N 2.85Å; A210-V213 PolarHBondContact O-N 3.17Å; A210-C214 PolarHBondContact O-N 3.26Å; A210-C214 VanDerWaalsContact O-N 3.08Å |
| 211 | G | 54.2 | Low | 52.8 | Low | 19 Ų | 19 | 80.2 Ų | 80.2 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.2 | -36.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F202 N215 | F202-G211 VanDerWaalsContact CE1-N 3.31Å; G211-N215 WeakPolarHBondContact O-CB 3.5Å; G211-N215 PolarHBondContact O-N 3.08Å; G211-N215 PolarHBondContact O-ND2 3.25Å |
| 212 | N | 56.1 | Low | 52.9 | Low | 94 Ų | 94 | 79 Ų | 79 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.7 | -43.5 | 174.8 | -75 | -16.2 | 0 | 0 | 0 | 111.6 | R208 M209 A210 N215 Q216 | R208-N212 PolarHBondContact O-N 3.35Å; R208-N212 PolarHBondContact O-ND2 3.3Å; M209-N212 WeakPolarHBondContact O-CB 3.38Å; M209-N212 PolarHBondContact O-N 3.42Å; A210-N212 VanDerWaalsContact C-N 3.33Å; A210-N212 PolarHBondContact O-N 2.85Å; N212-N215 PolarHBondContact O-N 3.02Å; N212-Q216 WeakPolarHBondContact O-CB 3.26Å; N212-Q216 PolarHBondContact O-N 2.86Å |
| 213 | V | 53 | Low | 52.9 | Low | 1 Ų | 1 | 77.8 Ų | 77.8 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.2 | -48.2 | -179.5 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | F145 V175 M209 A210 N215 Q216 M217 | F145-V213 HydrophobicContact CE1-CB 4.01Å; F145-V213 HydrophobicContact CE1-CG1 3.75Å; F145-V213 HydrophobicContact CE1-CG2 4.02Å; F145-V213 HydrophobicContact CZ-CB 4.03Å; F145-V213 HydrophobicContact CZ-CG1 3.47Å; F145-V213 VanDerWaalsContact CZ-CG1 3.47Å; V175-V213 HydrophobicContact CG2-CG2 3.66Å; M209-V213 VanDerWaalsContact O-CG2 3.31Å; M209-V213 WeakPolarHBondContact O-CG2 3.44Å; M209-V213 PolarHBondContact O-N 3.38Å; A210-V213 PolarHBondContact O-N 3.17Å; V213-N215 PolarHBondContact O-N 3.34Å; V213-Q216 PolarHBondContact O-N 2.79Å; V213-M217 HydrophobicContact CG1-CE 4.12Å; V213-M217 HydrophobicContact CG1-SD 4.21Å; V213-M217 PolarHBondContact O-N 3.11Å |
| 214 | C | 54.7 | Low | 52.8 | Low | 46 Ų | 46 | 73.3 Ų | 73.3 | 31% | 0.311 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 177.8 | -91.8 | 0 | 0 | 0 | 0 | 112.4 | F202 A210 Q216 K218 | F202-C214 HydrophobicContact CE2-CB 4.15Å; F202-C214 HydrophobicContact CZ-CB 4.22Å; A210-C214 PolarHBondContact O-N 3.26Å; A210-C214 VanDerWaalsContact O-N 3.08Å; C214-Q216 VanDerWaalsContact C-N 3.33Å; C214-Q216 PolarHBondContact O-N 2.94Å; C214-K218 WeakPolarHBondContact O-CB 3.45Å; C214-K218 PolarHBondContact O-N 3.42Å; C214-K218 VanDerWaalsContact O-N 3.12Å |
| 215 | N | 58.9 | Low | 52.9 | Low | 107 Ų | 107 | 72.5 Ų | 72.5 | 57% | 0.572 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65 | -37.6 | 177.1 | -84.1 | -31.5 | 0 | 0 | 0 | 112.2 | G211 N212 V213 K218 K219 | G211-N215 WeakPolarHBondContact O-CB 3.5Å; G211-N215 PolarHBondContact O-N 3.08Å; G211-N215 PolarHBondContact O-ND2 3.25Å; N212-N215 PolarHBondContact O-N 3.02Å; V213-N215 PolarHBondContact O-N 3.34Å; N215-K218 PolarHBondContact O-N 3.06Å; N215-K219 WeakPolarHBondContact O-CB 3.35Å; N215-K219 PolarHBondContact O-N 3.36Å |
| 216 | Q | 56.8 | Low | 53.3 | Low | 81 Ų | 81 | 80.7 Ų | 80.7 | 38% | 0.379 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71.6 | -42.2 | -178.7 | -155.6 | 141.3 | -5.7 | 0 | 0 | 111.7 | V175 N212 V213 C214 K218 K219 E220 | V175-Q216 HydrophobicContact CG1-CB 4.4Å; V175-Q216 HydrophobicContact CG1-CG 4.37Å; N212-Q216 WeakPolarHBondContact O-CB 3.26Å; N212-Q216 PolarHBondContact O-N 2.86Å; V213-Q216 PolarHBondContact O-N 2.79Å; C214-Q216 VanDerWaalsContact C-N 3.33Å; C214-Q216 PolarHBondContact O-N 2.94Å; Q216-K218 VanDerWaalsContact C-N 3.31Å; Q216-K218 PolarHBondContact O-N 3.42Å; Q216-K219 WeakPolarHBondContact O-CB 3.39Å; Q216-K219 PolarHBondContact O-N 2.85Å; Q216-K219 VanDerWaalsContact O-N 3.13Å; Q216-E220 PolarHBondContact O-N 3.41Å |
| 217 | M | 54.8 | Low | 53.8 | Low | 9 Ų | 9 | 74.5 Ų | 74.5 | 4% | 0.044 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.4 | -38 | 172.2 | -73.8 | -178.9 | 166.5 | 0 | 0 | 112.7 | A178 L179 I182 V213 F223 | A178-M217 HydrophobicContact CB-CE 4.3Å; L179-M217 HydrophobicContact CD2-CG 3.83Å; I182-M217 HydrophobicContact CD1-CE 4.34Å; V213-M217 HydrophobicContact CG1-CE 4.12Å; V213-M217 HydrophobicContact CG1-SD 4.21Å; V213-M217 PolarHBondContact O-N 3.11Å; M217-F223 HydrophobicContact CB-CD2 4.45Å; M217-F223 HydrophobicContact CB-CE2 4.16Å; M217-F223 HydrophobicContact SD-CE2 4.16Å |
| 218 | K | 57.6 | Low | 54.5 | Low | 94 Ų | 94 | 75.1 Ų | 75.1 | 41% | 0.409 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.3 | -39 | 174.1 | -127 | 170 | 166 | 154.3 | 0 | 112.1 | W189 E195 C214 N215 Q216 E220 A221 | W189-K218 HydrophobicContact CH2-CD 3.7Å; W189-K218 HydrophobicContact CH2-CG 3.71Å; W189-K218 HydrophobicContact CZ3-CD 4.23Å; W189-K218 HydrophobicContact CZ3-CG 3.92Å; E195-K218 IonicContact OE1-NZ 3.27Å; E195-K218 PolarHBondContact OE1-NZ 3.45Å; C214-K218 WeakPolarHBondContact O-CB 3.45Å; C214-K218 PolarHBondContact O-N 3.42Å; C214-K218 VanDerWaalsContact O-N 3.12Å; N215-K218 PolarHBondContact O-N 3.06Å; Q216-K218 VanDerWaalsContact C-N 3.31Å; Q216-K218 PolarHBondContact O-N 3.42Å; K218-E220 VanDerWaalsContact C-N 3.31Å; K218-E220 PolarHBondContact O-N 3.35Å; K218-A221 PolarHBondContact O-N 3.14Å |
| 219 | K | 59 | Low | 55.6 | Low | 189 Ų | 189 | 69.8 Ų | 69.8 | 82% | 0.822 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -68.6 | -29 | -176.6 | -140.5 | 178.3 | -176 | -176.8 | 0 | 112.8 | N215 Q216 | N215-K219 WeakPolarHBondContact O-CB 3.35Å; N215-K219 PolarHBondContact O-N 3.36Å; Q216-K219 WeakPolarHBondContact O-CB 3.39Å; Q216-K219 PolarHBondContact O-N 2.85Å; Q216-K219 VanDerWaalsContact O-N 3.13Å |
| 220 | E | 54.7 | Low | 56.9 | Low | 116 Ų | 116 | 73.2 Ų | 73.2 | 54% | 0.542 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 12.3 | 179.2 | -61.5 | -155.8 | 179.2 | 0 | 0 | 114.3 | Q216 K218 L222 | Q216-E220 PolarHBondContact O-N 3.41Å; K218-E220 VanDerWaalsContact C-N 3.31Å; K218-E220 PolarHBondContact O-N 3.35Å; E220-L222 HydrophobicContact CB-CD1 4.14Å; E220-L222 PolarHBondContact O-N 3.21Å |
| 221 | A | 50.7 | Low | 58.1 | Low | 56 Ų | 56 | 73.3 Ų | 73.3 | 46% | 0.463 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 17.5 | 171 | 0 | 0 | 0 | 0 | 0 | 116.9 | K218 F223 | K218-A221 PolarHBondContact O-N 3.14Å; A221-F223 PolarHBondContact O-N 2.97Å |
| 222 | L | 49.7 | Very low | 59 | Low | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.026 | 39% | 0.393 | C | S | . | . | trans | -67.6 | -11.5 | -178.4 | -84.7 | 147.1 | 0 | 0 | 0 | 115 | L179 I182 Y187 E220 L256 | L179-L222 HydrophobicContact CD2-CD1 3.44Å; L179-L222 VanDerWaalsContact CD2-CD1 3.44Å; I182-L222 HydrophobicContact CD1-CD1 4.11Å; I182-L222 HydrophobicContact CD1-CD2 4.34Å; Y187-L222 HydrophobicContact CD2-CD2 4.28Å; Y187-L222 WeakPolarHBondContact CD2-O 3.48Å; Y187-L222 HydrophobicContact CE2-CD2 3.83Å; E220-L222 HydrophobicContact CB-CD1 4.14Å; E220-L222 PolarHBondContact O-N 3.21Å; L222-L256 HydrophobicContact CD2-CD2 3.97Å | ||
| 223 | F | 53.5 | Low | 60.2 | Low | 30 Ų | 30 | 76.7 Ų | 76.7 | 13% | 0.132 | 40% | 0.396 | C | S | . | . | trans | -127.5 | 96.3 | -176.4 | -69.5 | -65.6 | 0 | 0 | 0 | 110 | I182 A186 W189 M217 A221 | I182-F223 HydrophobicContact CD1-CE2 4.46Å; I182-F223 HydrophobicContact CD1-CZ 4.33Å; A186-F223 WeakPolarHBondContact O-CD1 3.39Å; A186-F223 WeakPolarHBondContact O-CE1 3.48Å; W189-F223 HydrophobicContact CB-CB 3.86Å; W189-F223 HydrophobicContact CB-CD1 4.44Å; W189-F223 HydrophobicContact CD2-CB 3.79Å; W189-F223 HydrophobicContact CD2-CG 4.44Å; W189-F223 HydrophobicContact CE3-CB 3.87Å; W189-F223 HydrophobicContact CG-CB 3.78Å; W189-F223 HydrophobicContact CG-CD1 4.4Å; W189-F223 HydrophobicContact CG-CG 4.24Å; M217-F223 HydrophobicContact CB-CD2 4.45Å; M217-F223 HydrophobicContact CB-CE2 4.16Å; M217-F223 HydrophobicContact SD-CE2 4.16Å; A221-F223 PolarHBondContact O-N 2.97Å | ||
| 224 | R | 52.4 | Low | 61.6 | Low | 92 Ų | 92 | 78.2 Ų | 78.2 | 35% | 0.347 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -91.5 | 141.2 | 177.4 | -72.5 | -169.9 | -175.5 | 153.2 | 9.8 | 111.5 | Y187 D255 | Y187-R224 HydrophobicContact CE1-CG 4.43Å; Y187-R224 PolarHBondContact O-N 3.3Å; R224-D255 IonicContact CZ-OD2 2.9Å; R224-D255 VanDerWaalsContact CZ-OD2 3.3Å; R224-D255 IonicContact NH1-OD2 4Å; R224-D255 PolarHBondContact NH1-OD2 2.87Å; R224-D255 IonicContact NH2-OD2 3.2Å; R224-D255 PolarHBondContact NH2-OD2 3.44Å; R224-D255 VanDerWaalsContact NH2-OD2 3.07Å |
| 225 | P | 53 | Low | 62.6 | Low | 118 Ų | 118 | 77.8 Ų | 77.8 | 77% | 0.766 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -70.3 | -27.1 | 178.7 | 22.6 | -29.9 | 0 | 0 | 0 | 114.5 | ||
| 226 | K | 55 | Low | 63.5 | Low | 178 Ų | 178 | 77.6 Ų | 77.6 | 77% | 0.774 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -149 | 141.7 | 170.2 | -75.9 | -175.5 | 178.1 | 176.3 | 0 | 110.2 | ||
| 227 | P | 55.9 | Low | 64.7 | Low | 43 Ų | 43 | 76 Ų | 76 | 28% | 0.279 | 39% | 0.386 | S | S | . | . | trans | -71.3 | 150 | 175.4 | 33.5 | -37 | 0 | 0 | 0 | 110.6 | Y188 L231 V232 | Y188-P227 HydrophobicContact CE1-CB 3.85Å; Y188-P227 HydrophobicContact CE1-CG 3.7Å; P227-L231 HydrophobicContact CB-CD2 4.23Å; P227-V232 HydrophobicContact CB-CG2 3.68Å; P227-V232 HydrophobicContact CG-CG2 3.44Å; P227-V232 VanDerWaalsContact CG-CG2 3.44Å | ||
| 228 | S | 66 | Low | 65.9 | Low | 37 Ų | 37 | 75.7 Ų | 75.7 | 26% | 0.259 | 39% | 0.385 | S | S | . | . | trans | -70.5 | 149.8 | 171.8 | 82.7 | 0 | 0 | 0 | 0 | 109.8 | E230 L231 V232 | S228-E230 VanDerWaalsContact CB-OE2 3.22Å; S228-E230 WeakPolarHBondContact CB-OE2 3.3Å; S228-E230 PolarHBondContact O-N 3.44Å; S228-E230 PolarHBondContact OG-OE2 3.45Å; S228-L231 PolarHBondContact O-N 3.34Å; S228-L231 PolarHBondContact OG-N 3.29Å; S228-L231 VanDerWaalsContact OG-N 3.15Å; S228-V232 PolarHBondContact O-N 3.09Å | ||
| 229 | P | 72.3 | Confident | 66.4 | Low | 102 Ų | 102 | 78.4 Ų | 78.4 | 66% | 0.662 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -55 | -35.6 | 176.6 | -23.6 | 33.3 | 0 | 0 | 0 | 112.2 | Q233 | P229-Q233 WeakPolarHBondContact O-CB 3.49Å; P229-Q233 PolarHBondContact O-N 2.99Å |
| 230 | E | 77.5 | Confident | 67.5 | Low | 115 Ų | 115 | 75.6 Ų | 75.6 | 54% | 0.537 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 175.4 | -52.2 | 89.2 | -173.7 | 0 | 0 | 111.6 | S228 V232 Q233 E234 | S228-E230 VanDerWaalsContact CB-OE2 3.22Å; S228-E230 WeakPolarHBondContact CB-OE2 3.3Å; S228-E230 PolarHBondContact O-N 3.44Å; S228-E230 PolarHBondContact OG-OE2 3.45Å; E230-V232 PolarHBondContact O-N 3.26Å; E230-Q233 PolarHBondContact O-N 3.46Å; E230-E234 WeakPolarHBondContact O-CB 3.21Å; E230-E234 WeakPolarHBondContact O-CG 3.44Å; E230-E234 PolarHBondContact O-N 2.91Å |
| 231 | L | 73.9 | Confident | 68.3 | Low | 7 Ų | 7 | 72.7 Ų | 72.7 | 4% | 0.037 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 178.5 | 179.1 | 60.8 | 0 | 0 | 0 | 111.9 | P227 S228 Q233 E234 L235 D255 A257 I258 | P227-L231 HydrophobicContact CB-CD2 4.23Å; S228-L231 PolarHBondContact O-N 3.34Å; S228-L231 PolarHBondContact OG-N 3.29Å; S228-L231 VanDerWaalsContact OG-N 3.15Å; L231-Q233 VanDerWaalsContact C-N 3.32Å; L231-E234 PolarHBondContact O-N 3.33Å; L231-L235 HydrophobicContact CD1-CD1 3.9Å; L231-L235 HydrophobicContact CD1-CG 3.95Å; L231-L235 HydrophobicContact CG-CD1 3.9Å; L231-L235 HydrophobicContact CG-CG 4.36Å; L231-L235 WeakPolarHBondContact O-CB 3.32Å; L231-L235 VanDerWaalsContact O-CG 3.32Å; L231-L235 WeakPolarHBondContact O-CG 2.94Å; L231-L235 PolarHBondContact O-N 3Å; L231-D255 HydrophobicContact CD1-CB 3.81Å; L231-A257 HydrophobicContact CD1-CB 4.32Å; L231-I258 HydrophobicContact CD1-CD1 3.86Å; L231-I258 HydrophobicContact CD1-CG1 3.71Å |
| 232 | V | 74.3 | Confident | 69.8 | Low | 63 Ų | 63 | 73.7 Ų | 73.7 | 38% | 0.382 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 175.4 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | P227 S228 E230 E234 Q236 | P227-V232 HydrophobicContact CB-CG2 3.68Å; P227-V232 HydrophobicContact CG-CG2 3.44Å; P227-V232 VanDerWaalsContact CG-CG2 3.44Å; S228-V232 PolarHBondContact O-N 3.09Å; E230-V232 PolarHBondContact O-N 3.26Å; V232-E234 PolarHBondContact O-N 3.08Å; V232-Q236 WeakPolarHBondContact O-CB 3.45Å; V232-Q236 PolarHBondContact O-N 3.49Å |
| 233 | Q | 80.7 | Confident | 71.2 | Confident | 121 Ų | 121 | 74.1 Ų | 74.1 | 57% | 0.565 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66.1 | -38.6 | -179.1 | -158.1 | 173.2 | 18.9 | 0 | 0 | 111.8 | P229 E230 L231 Q236 M237 | P229-Q233 WeakPolarHBondContact O-CB 3.49Å; P229-Q233 PolarHBondContact O-N 2.99Å; E230-Q233 PolarHBondContact O-N 3.46Å; L231-Q233 VanDerWaalsContact C-N 3.32Å; Q233-Q236 PolarHBondContact O-N 3.25Å; Q233-M237 HydrophobicContact CG-CE 4.27Å; Q233-M237 VanDerWaalsContact O-CG 3.3Å; Q233-M237 WeakPolarHBondContact O-CG 3.5Å; Q233-M237 PolarHBondContact O-N 2.96Å |
| 234 | E | 83.2 | Confident | 72.5 | Confident | 33 Ų | 33 | 75.8 Ų | 75.8 | 15% | 0.154 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -73.6 | -42.9 | 178.2 | -72.7 | 178 | 170.5 | 0 | 0 | 112.6 | E230 L231 V232 Q236 M237 L238 F246 R249 I258 | E230-E234 WeakPolarHBondContact O-CB 3.21Å; E230-E234 WeakPolarHBondContact O-CG 3.44Å; E230-E234 PolarHBondContact O-N 2.91Å; L231-E234 PolarHBondContact O-N 3.33Å; V232-E234 PolarHBondContact O-N 3.08Å; E234-Q236 PolarHBondContact O-N 3.12Å; E234-M237 WeakPolarHBondContact O-CB 3.35Å; E234-M237 PolarHBondContact O-N 2.75Å; E234-L238 WeakPolarHBondContact O-CG 3.29Å; E234-L238 PolarHBondContact O-N 2.96Å; E234-F246 HydrophobicContact CB-CE1 4.01Å; E234-F246 HydrophobicContact CB-CZ 3.97Å; E234-F246 HydrophobicContact CG-CE1 4.09Å; E234-F246 HydrophobicContact CG-CZ 4.32Å; E234-R249 IonicContact OE1-CZ 3.82Å; E234-R249 IonicContact OE1-NH1 3.68Å; E234-R249 PolarHBondContact OE1-NH1 3.2Å; E234-R249 IonicContact OE1-NH2 3.88Å; E234-I258 HydrophobicContact CB-CD1 3.53Å; E234-I258 HydrophobicContact CB-CG1 4.45Å; E234-I258 HydrophobicContact CG-CD1 4.27Å; E234-I258 WeakPolarHBondContact OE2-CD1 3.48Å |
| 235 | L | 75.2 | Confident | 73.9 | Confident | 38 Ų | 38 | 73.2 Ų | 73.2 | 20% | 0.199 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.1 | -36 | 171.7 | -72.2 | 172.3 | 0 | 0 | 0 | 111.2 | L231 L238 D239 I258 | L231-L235 HydrophobicContact CD1-CD1 3.9Å; L231-L235 HydrophobicContact CD1-CG 3.95Å; L231-L235 HydrophobicContact CG-CD1 3.9Å; L231-L235 HydrophobicContact CG-CG 4.36Å; L231-L235 WeakPolarHBondContact O-CB 3.32Å; L231-L235 VanDerWaalsContact O-CG 3.32Å; L231-L235 WeakPolarHBondContact O-CG 2.94Å; L231-L235 PolarHBondContact O-N 3Å; L235-L238 HydrophobicContact CD2-CD1 4.29Å; L235-L238 WeakPolarHBondContact O-CB 3.46Å; L235-L238 PolarHBondContact O-N 2.72Å; L235-D239 PolarHBondContact O-N 3.43Å; L235-I258 HydrophobicContact CD2-CG1 4.21Å; L235-I258 HydrophobicContact CG-CG1 4.48Å |
| 236 | Q | 77.6 | Confident | 75.4 | Confident | 102 Ų | 102 | 67.6 Ų | 67.6 | 48% | 0.477 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.6 | -38.1 | 174.1 | -172.9 | 167.1 | -9.5 | 0 | 0 | 112.2 | V232 Q233 E234 L238 D239 E240 | V232-Q236 WeakPolarHBondContact O-CB 3.45Å; V232-Q236 PolarHBondContact O-N 3.49Å; Q233-Q236 PolarHBondContact O-N 3.25Å; E234-Q236 PolarHBondContact O-N 3.12Å; Q236-L238 VanDerWaalsContact C-N 3.3Å; Q236-L238 PolarHBondContact O-N 3.05Å; Q236-D239 PolarHBondContact O-N 2.83Å; Q236-E240 HydrophobicContact CG-CG 4.49Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.15Å; Q236-E240 PolarHBondContact NE2-OE1 2.98Å; Q236-E240 WeakPolarHBondContact O-CB 3.45Å; Q236-E240 VanDerWaalsContact O-CG 3.28Å; Q236-E240 WeakPolarHBondContact O-CG 3.31Å; Q236-E240 PolarHBondContact O-N 3.28Å |
| 237 | M | 82 | Confident | 76.6 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 24% | 0.236 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.9 | -38 | 170.7 | -74.1 | 178.1 | -171.3 | 0 | 0 | 112.3 | Q233 E234 G241 N242 A245 F246 | Q233-M237 HydrophobicContact CG-CE 4.27Å; Q233-M237 VanDerWaalsContact O-CG 3.3Å; Q233-M237 WeakPolarHBondContact O-CG 3.5Å; Q233-M237 PolarHBondContact O-N 2.96Å; E234-M237 WeakPolarHBondContact O-CB 3.35Å; E234-M237 PolarHBondContact O-N 2.75Å; M237-G241 PolarHBondContact O-N 3.35Å; M237-N242 HydrophobicContact CB-CB 4.37Å; M237-N242 WeakPolarHBondContact O-CB 3.07Å; M237-N242 PolarHBondContact O-N 3.4Å; M237-A245 HydrophobicContact SD-CB 4.04Å; M237-F246 HydrophobicContact CB-CE2 4.19Å; M237-F246 HydrophobicContact CB-CZ 4.3Å |
| 238 | L | 79.2 | Confident | 77.7 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.4 | -43 | 174.9 | -72.4 | 178.1 | 0 | 0 | 0 | 111.7 | E234 L235 Q236 E240 G241 F246 I258 T261 L262 L265 | E234-L238 WeakPolarHBondContact O-CG 3.29Å; E234-L238 PolarHBondContact O-N 2.96Å; L235-L238 HydrophobicContact CD2-CD1 4.29Å; L235-L238 WeakPolarHBondContact O-CB 3.46Å; L235-L238 PolarHBondContact O-N 2.72Å; Q236-L238 VanDerWaalsContact C-N 3.3Å; Q236-L238 PolarHBondContact O-N 3.05Å; L238-E240 VanDerWaalsContact C-N 3.34Å; L238-G241 PolarHBondContact O-N 3.24Å; L238-G241 VanDerWaalsContact O-N 3.15Å; L238-F246 HydrophobicContact CD2-CD2 3.92Å; L238-F246 HydrophobicContact CD2-CE2 3.44Å; L238-F246 VanDerWaalsContact CD2-CE2 3.44Å; L238-F246 HydrophobicContact CD2-CZ 3.94Å; L238-F246 HydrophobicContact CG-CE2 3.8Å; L238-F246 HydrophobicContact CG-CZ 3.88Å; L238-I258 HydrophobicContact CD1-CB 4.43Å; L238-I258 HydrophobicContact CD1-CG2 3.84Å; L238-T261 HydrophobicContact CD1-CG2 4.04Å; L238-L262 HydrophobicContact CD2-CD2 3.5Å; L238-L262 VanDerWaalsContact CD2-CD2 3.5Å; L238-L262 HydrophobicContact CD2-CG 4.08Å; L238-L265 HydrophobicContact CB-CD1 3.9Å; L238-L265 HydrophobicContact CD2-CD1 3.37Å; L238-L265 HydrophobicContact CG-CD1 4.14Å |
| 239 | D | 69.5 | Low | 78.5 | Confident | 151 Ų | 151 | 68.1 Ų | 68.1 | 81% | 0.807 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67 | -34.3 | 177.7 | -153.2 | 34 | 0 | 0 | 0 | 112.1 | L235 Q236 G241 | L235-D239 PolarHBondContact O-N 3.43Å; Q236-D239 PolarHBondContact O-N 2.83Å; D239-G241 PolarHBondContact O-N 3.22Å |
| 240 | E | 80.3 | Confident | 78.9 | Confident | 131 Ų | 131 | 68.2 Ų | 68.2 | 61% | 0.612 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -3.5 | 173.6 | -70.3 | 172.6 | -172.2 | 0 | 0 | 113.6 | Q236 L238 | Q236-E240 HydrophobicContact CG-CG 4.49Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.15Å; Q236-E240 PolarHBondContact NE2-OE1 2.98Å; Q236-E240 WeakPolarHBondContact O-CB 3.45Å; Q236-E240 VanDerWaalsContact O-CG 3.28Å; Q236-E240 WeakPolarHBondContact O-CG 3.31Å; Q236-E240 PolarHBondContact O-N 3.28Å; L238-E240 VanDerWaalsContact C-N 3.34Å |
| 241 | G | 72.9 | Confident | 79 | Confident | 54 Ų | 54 | 63.3 Ų | 63.3 | 56% | 0.557 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 14.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | M237 L238 D239 V243 | M237-G241 PolarHBondContact O-N 3.35Å; L238-G241 PolarHBondContact O-N 3.24Å; L238-G241 VanDerWaalsContact O-N 3.15Å; D239-G241 PolarHBondContact O-N 3.22Å; G241-V243 PolarHBondContact O-N 3.28Å |
| 242 | N | 81.9 | Confident | 79.2 | Confident | 77 Ų | 77 | 66.6 Ų | 66.6 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | trans | -84.6 | 52.5 | -176.7 | -161 | 2.9 | 0 | 0 | 0 | 112.6 | M237 A244 A245 | M237-N242 HydrophobicContact CB-CB 4.37Å; M237-N242 WeakPolarHBondContact O-CB 3.07Å; M237-N242 PolarHBondContact O-N 3.4Å; N242-A244 PolarHBondContact O-N 3.49Å; N242-A245 PolarHBondContact O-N 3.29Å | ||
| 243 | V | 79.6 | Confident | 79.4 | Confident | 14 Ų | 14 | 68.4 Ų | 68.4 | 9% | 0.085 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -63.1 | -24.3 | -174.4 | -171.9 | 0 | 0 | 0 | 0 | 112.6 | G241 A245 F246 L262 L265 I268 L272 | G241-V243 PolarHBondContact O-N 3.28Å; V243-A245 PolarHBondContact O-N 3.5Å; V243-F246 PolarHBondContact O-N 3.22Å; V243-F246 VanDerWaalsContact O-N 3.13Å; V243-L262 HydrophobicContact CG1-CD2 4.32Å; V243-L265 HydrophobicContact CG2-CD1 3.88Å; V243-I268 HydrophobicContact CG1-CG1 4.43Å; V243-I268 HydrophobicContact CG1-CG2 4.48Å; V243-L272 HydrophobicContact CG1-CD2 3.73Å |
| 244 | A | 81.2 | Confident | 79.2 | Confident | 65 Ų | 65 | 63.5 Ų | 63.5 | 54% | 0.537 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -60.7 | -24.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N242 F246 E247 | N242-A244 PolarHBondContact O-N 3.49Å; A244-F246 PolarHBondContact O-N 2.96Å; A244-E247 PolarHBondContact O-N 3.22Å |
| 245 | A | 81.2 | Confident | 78.9 | Confident | 38 Ų | 38 | 63.3 Ų | 63.3 | 31% | 0.314 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -67.7 | -17.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | M237 N242 V243 | M237-A245 HydrophobicContact SD-CB 4.04Å; N242-A245 PolarHBondContact O-N 3.29Å; V243-A245 PolarHBondContact O-N 3.5Å |
| 246 | F | 84.3 | Confident | 78.5 | Confident | 1 Ų | 1 | 64 Ų | 64 | 0% | 0.004 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -95.6 | -13.6 | 178.9 | -59.2 | -82.2 | 0 | 0 | 0 | 112.6 | E234 M237 L238 V243 A244 G248 R249 F254 I258 L272 | E234-F246 HydrophobicContact CB-CE1 4.01Å; E234-F246 HydrophobicContact CB-CZ 3.97Å; E234-F246 HydrophobicContact CG-CE1 4.09Å; E234-F246 HydrophobicContact CG-CZ 4.32Å; M237-F246 HydrophobicContact CB-CE2 4.19Å; M237-F246 HydrophobicContact CB-CZ 4.3Å; L238-F246 HydrophobicContact CD2-CD2 3.92Å; L238-F246 HydrophobicContact CD2-CE2 3.44Å; L238-F246 VanDerWaalsContact CD2-CE2 3.44Å; L238-F246 HydrophobicContact CD2-CZ 3.94Å; L238-F246 HydrophobicContact CG-CE2 3.8Å; L238-F246 HydrophobicContact CG-CZ 3.88Å; V243-F246 PolarHBondContact O-N 3.22Å; V243-F246 VanDerWaalsContact O-N 3.13Å; A244-F246 PolarHBondContact O-N 2.96Å; F246-G248 PolarHBondContact O-N 3.38Å; F246-G248 VanDerWaalsContact O-N 3.16Å; F246-R249 PolarHBondContact O-N 3.48Å; F246-F254 HydrophobicContact CB-CE2 3.96Å; F246-F254 HydrophobicContact CB-CZ 3.86Å; F246-F254 HydrophobicContact CD1-CD2 4.44Å; F246-F254 AromaticContact CD1-CE2 3.68Å; F246-F254 HydrophobicContact CD1-CE2 3.68Å; F246-F254 AromaticContact CD1-CZ 3.94Å; F246-F254 HydrophobicContact CD1-CZ 3.94Å; F246-F254 HydrophobicContact CG-CE2 4.15Å; F246-F254 HydrophobicContact CG-CZ 4.36Å; F246-I258 HydrophobicContact CD1-CG2 4.41Å; F246-I258 HydrophobicContact CE1-CG2 4Å; F246-L272 HydrophobicContact CB-CD2 3.95Å |
| 247 | E | 79.2 | Confident | 78 | Confident | 96 Ų | 96 | 59.4 Ų | 59.4 | 45% | 0.449 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 115.1 | 178.2 | -71 | -175 | -178.1 | 0 | 0 | 111.2 | A244 S269 | A244-E247 PolarHBondContact O-N 3.22Å; E247-S269 WeakPolarHBondContact CG-OG 3.39Å; E247-S269 WeakPolarHBondContact OE1-CB 3.38Å; E247-S269 PolarHBondContact OE1-OG 2.95Å |
| 248 | G | 79.9 | Confident | 77.8 | Confident | 68 Ų | 68 | 57.1 Ų | 57.1 | 70% | 0.701 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.6 | -3.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | F246 | F246-G248 PolarHBondContact O-N 3.38Å; F246-G248 VanDerWaalsContact O-N 3.16Å |
| 249 | R | 83.2 | Confident | 77.7 | Confident | 104 Ų | 104 | 57.6 Ų | 57.6 | 39% | 0.392 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -80.1 | 149.9 | 167.9 | -64.7 | -172 | -173.9 | -156.9 | 9.5 | 110.4 | E234 F246 F254 Q275 | E234-R249 IonicContact OE1-CZ 3.82Å; E234-R249 IonicContact OE1-NH1 3.68Å; E234-R249 PolarHBondContact OE1-NH1 3.2Å; E234-R249 IonicContact OE1-NH2 3.88Å; F246-R249 PolarHBondContact O-N 3.48Å; R249-F254 HydrophobicContact CB-CD1 4.46Å; R249-F254 HydrophobicContact CB-CE1 3.38Å; R249-F254 HydrophobicContact CB-CZ 3.88Å; R249-F254 HydrophobicContact CG-CE1 4.47Å; R249-Q275 PolarHBondContact O-OE1 3.42Å |
| 250 | D | 80.4 | Confident | 77.8 | Confident | 104 Ų | 104 | 52.1 Ų | 52.1 | 56% | 0.556 | 32% | 0.318 | S | S | * | . | trans | -78.3 | 131.5 | 177.3 | -176.5 | -1.5 | 0 | 0 | 0 | 110.3 | A252 T253 F254 | D250-A252 PolarHBondContact O-N 3.26Å; D250-A252 PolarHBondContact OD1-N 2.65Å; D250-T253 HydrophobicContact CB-CG2 4.25Å; D250-T253 WeakPolarHBondContact O-CB 3.38Å; D250-T253 PolarHBondContact O-N 3.48Å; D250-T253 PolarHBondContact O-OG1 3.45Å; D250-F254 VanDerWaalsContact O-CD1 3.28Å; D250-F254 WeakPolarHBondContact O-CD1 3.31Å | ||
| 251 | I | 79.4 | Confident | 77.4 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 6% | 0.062 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -63.6 | -27.3 | -177.7 | -125.6 | 161.8 | 0 | 0 | 0 | 113.5 | T253 F254 Q275 L276 | I251-T253 PolarHBondContact O-N 3.22Å; I251-T253 VanDerWaalsContact O-N 3.11Å; I251-F254 PolarHBondContact O-N 3.04Å; I251-F254 VanDerWaalsContact O-N 3.09Å; I251-Q275 HydrophobicContact CD1-CB 4.06Å; I251-Q275 VanDerWaalsContact CD1-O 3.3Å; I251-Q275 WeakPolarHBondContact CD1-O 3.41Å; I251-L276 HydrophobicContact CD1-CB 3.97Å; I251-L276 HydrophobicContact CD1-CD2 3.46Å; I251-L276 VanDerWaalsContact CD1-CD2 3.46Å; I251-L276 HydrophobicContact CD1-CG 3.62Å; I251-L276 VanDerWaalsContact CD1-N 3.28Å; I251-L276 HydrophobicContact CG1-CD2 4.3Å |
| 252 | A | 77.3 | Confident | 77.7 | Confident | 77 Ų | 77 | 44.8 Ų | 44.8 | 64% | 0.636 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -62.2 | -15.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D250 | D250-A252 PolarHBondContact O-N 3.26Å; D250-A252 PolarHBondContact OD1-N 2.65Å |
| 253 | T | 79.1 | Confident | 77.3 | Confident | 100 Ų | 100 | 41.7 Ų | 41.7 | 61% | 0.613 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -95.9 | -6.4 | 176.9 | 66.7 | 0 | 0 | 0 | 0 | 114.3 | D250 I251 | D250-T253 HydrophobicContact CB-CG2 4.25Å; D250-T253 WeakPolarHBondContact O-CB 3.38Å; D250-T253 PolarHBondContact O-N 3.48Å; D250-T253 PolarHBondContact O-OG1 3.45Å; I251-T253 PolarHBondContact O-N 3.22Å; I251-T253 VanDerWaalsContact O-N 3.11Å |
| 254 | F | 76.9 | Confident | 76.9 | Confident | 18 Ų | 18 | 48.2 Ų | 48.2 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -82.4 | 142.4 | -177.5 | -74 | 39.1 | 0 | 0 | 0 | 109.6 | F246 R249 D250 I251 I258 I259 L262 L272 | F246-F254 HydrophobicContact CB-CE2 3.96Å; F246-F254 HydrophobicContact CB-CZ 3.86Å; F246-F254 HydrophobicContact CD1-CD2 4.44Å; F246-F254 AromaticContact CD1-CE2 3.68Å; F246-F254 HydrophobicContact CD1-CE2 3.68Å; F246-F254 AromaticContact CD1-CZ 3.94Å; F246-F254 HydrophobicContact CD1-CZ 3.94Å; F246-F254 HydrophobicContact CG-CE2 4.15Å; F246-F254 HydrophobicContact CG-CZ 4.36Å; R249-F254 HydrophobicContact CB-CD1 4.46Å; R249-F254 HydrophobicContact CB-CE1 3.38Å; R249-F254 HydrophobicContact CB-CZ 3.88Å; R249-F254 HydrophobicContact CG-CE1 4.47Å; D250-F254 VanDerWaalsContact O-CD1 3.28Å; D250-F254 WeakPolarHBondContact O-CD1 3.31Å; I251-F254 PolarHBondContact O-N 3.04Å; I251-F254 VanDerWaalsContact O-N 3.09Å; F254-I258 HydrophobicContact CD2-CB 4.42Å; F254-I258 HydrophobicContact CD2-CG2 3.57Å; F254-I258 HydrophobicContact CE2-CG2 4.2Å; F254-I258 HydrophobicContact CG-CG2 4.38Å; F254-I259 HydrophobicContact CB-CD1 3.88Å; F254-I259 HydrophobicContact CB-CG1 3.46Å; F254-I259 VanDerWaalsContact CB-CG1 3.46Å; F254-I259 HydrophobicContact CD2-CG1 4.5Å; F254-I259 HydrophobicContact CG-CG1 4.38Å; F254-L262 HydrophobicContact CD2-CD1 3.69Å; F254-L262 HydrophobicContact CE2-CD1 3.58Å; F254-L272 HydrophobicContact CE2-CD1 4.46Å; F254-L272 HydrophobicContact CZ-CD1 4.34Å |
| 255 | D | 76.8 | Confident | 76.5 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 16% | 0.16 | 26% | 0.264 | C | S | . | . | trans | -67.4 | 145.2 | 169.4 | -162.2 | -70.3 | 0 | 0 | 0 | 109.7 | R224 L231 A257 I258 I259 | R224-D255 IonicContact CZ-OD2 2.9Å; R224-D255 VanDerWaalsContact CZ-OD2 3.3Å; R224-D255 IonicContact NH1-OD2 4Å; R224-D255 PolarHBondContact NH1-OD2 2.87Å; R224-D255 IonicContact NH2-OD2 3.2Å; R224-D255 PolarHBondContact NH2-OD2 3.44Å; R224-D255 VanDerWaalsContact NH2-OD2 3.07Å; L231-D255 HydrophobicContact CD1-CB 3.81Å; D255-A257 PolarHBondContact O-N 3.46Å; D255-A257 VanDerWaalsContact O-N 3.11Å; D255-A257 PolarHBondContact OD1-N 3.39Å; D255-I258 HydrophobicContact CB-CD1 4.35Å; D255-I258 HydrophobicContact CB-CG1 4.44Å; D255-I258 WeakPolarHBondContact O-CB 3.46Å; D255-I258 PolarHBondContact O-N 3.43Å; D255-I259 PolarHBondContact O-N 3.13Å; D255-I259 VanDerWaalsContact O-N 3.08Å | ||
| 256 | L | 67.7 | Low | 75.8 | Confident | 52 Ų | 52 | 55.7 Ų | 55.7 | 27% | 0.272 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.4 | -32 | -175 | -160.8 | 79.4 | 0 | 0 | 0 | 111.8 | Y187 L222 I259 R260 D281 | Y187-L256 HydrophobicContact CE2-CB 4.28Å; Y187-L256 HydrophobicContact CE2-CD2 4.29Å; L222-L256 HydrophobicContact CD2-CD2 3.97Å; L256-I259 PolarHBondContact O-N 2.87Å; L256-R260 PolarHBondContact O-N 3.17Å; L256-D281 HydrophobicContact CD1-CB 4.34Å |
| 257 | A | 66.9 | Low | 75.2 | Confident | 5 Ų | 5 | 59 Ų | 59 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.4 | -40 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y187 L231 D255 T261 | Y187-A257 HydrophobicContact CG-CB 4.46Å; L231-A257 HydrophobicContact CD1-CB 4.32Å; D255-A257 PolarHBondContact O-N 3.46Å; D255-A257 VanDerWaalsContact O-N 3.11Å; D255-A257 PolarHBondContact OD1-N 3.39Å; A257-T261 VanDerWaalsContact O-CB 3.32Å; A257-T261 WeakPolarHBondContact O-CB 3.39Å; A257-T261 PolarHBondContact O-N 3.23Å; A257-T261 VanDerWaalsContact O-N 3.13Å; A257-T261 PolarHBondContact O-OG1 2.95Å |
| 258 | I | 77.1 | Confident | 75.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.3 | -45.6 | 177.3 | -60.7 | 176.1 | 0 | 0 | 0 | 109.7 | L231 E234 L235 L238 F246 F254 D255 R260 T261 L262 | L231-I258 HydrophobicContact CD1-CD1 3.86Å; L231-I258 HydrophobicContact CD1-CG1 3.71Å; E234-I258 HydrophobicContact CB-CD1 3.53Å; E234-I258 HydrophobicContact CB-CG1 4.45Å; E234-I258 HydrophobicContact CG-CD1 4.27Å; E234-I258 WeakPolarHBondContact OE2-CD1 3.48Å; L235-I258 HydrophobicContact CD2-CG1 4.21Å; L235-I258 HydrophobicContact CG-CG1 4.48Å; L238-I258 HydrophobicContact CD1-CB 4.43Å; L238-I258 HydrophobicContact CD1-CG2 3.84Å; F246-I258 HydrophobicContact CD1-CG2 4.41Å; F246-I258 HydrophobicContact CE1-CG2 4Å; F254-I258 HydrophobicContact CD2-CB 4.42Å; F254-I258 HydrophobicContact CD2-CG2 3.57Å; F254-I258 HydrophobicContact CE2-CG2 4.2Å; F254-I258 HydrophobicContact CG-CG2 4.38Å; D255-I258 HydrophobicContact CB-CD1 4.35Å; D255-I258 HydrophobicContact CB-CG1 4.44Å; D255-I258 WeakPolarHBondContact O-CB 3.46Å; D255-I258 PolarHBondContact O-N 3.43Å; I258-R260 VanDerWaalsContact C-N 3.34Å; I258-R260 PolarHBondContact O-N 3.04Å; I258-T261 PolarHBondContact O-N 3.5Å; I258-T261 VanDerWaalsContact O-N 3.13Å; I258-L262 HydrophobicContact CG2-CD1 4.02Å; I258-L262 HydrophobicContact CG2-CG 4.38Å; I258-L262 WeakPolarHBondContact O-CG 3.23Å; I258-L262 PolarHBondContact O-N 2.75Å |
| 259 | I | 77.9 | Confident | 75.4 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 6% | 0.062 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.3 | -47.7 | 178.4 | -68 | 178.5 | 0 | 0 | 0 | 110.9 | F254 D255 L256 P263 D281 T284 | F254-I259 HydrophobicContact CB-CD1 3.88Å; F254-I259 HydrophobicContact CB-CG1 3.46Å; F254-I259 VanDerWaalsContact CB-CG1 3.46Å; F254-I259 HydrophobicContact CD2-CG1 4.5Å; F254-I259 HydrophobicContact CG-CG1 4.38Å; D255-I259 PolarHBondContact O-N 3.13Å; D255-I259 VanDerWaalsContact O-N 3.08Å; L256-I259 PolarHBondContact O-N 2.87Å; I259-P263 WeakPolarHBondContact O-CD 3.22Å; I259-D281 HydrophobicContact CG2-CB 4.16Å; I259-T284 HydrophobicContact CG2-CG2 3.77Å; I259-T284 VanDerWaalsContact CG2-OG1 3.24Å; I259-T284 WeakPolarHBondContact CG2-OG1 3.4Å; I259-T284 PolarHBondContact O-OG1 2.97Å |
| 260 | R | 69.9 | Low | 75.4 | Confident | 36 Ų | 36 | 49.7 Ų | 49.7 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.3 | -20.3 | 179.3 | -69.8 | -172.9 | 174.9 | -176.9 | -0.3 | 114.3 | P184 L256 I258 D281 | P184-R260 HydrophobicContact CG-CB 4.1Å; L256-R260 PolarHBondContact O-N 3.17Å; I258-R260 VanDerWaalsContact C-N 3.34Å; I258-R260 PolarHBondContact O-N 3.04Å; R260-D281 IonicContact CZ-OD1 3.55Å; R260-D281 IonicContact NE-OD1 2.87Å; R260-D281 PolarHBondContact NE-OD1 3.48Å; R260-D281 IonicContact NE-OD2 3.75Å; R260-D281 IonicContact NH2-OD1 2.65Å; R260-D281 PolarHBondContact NH2-OD1 3.25Å |
| 261 | T | 72.7 | Confident | 75.7 | Confident | 32 Ų | 32 | 49.8 Ų | 49.8 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -83.9 | -35.8 | 178 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | L238 A257 I258 R264 | L238-T261 HydrophobicContact CD1-CG2 4.04Å; A257-T261 VanDerWaalsContact O-CB 3.32Å; A257-T261 WeakPolarHBondContact O-CB 3.39Å; A257-T261 PolarHBondContact O-N 3.23Å; A257-T261 VanDerWaalsContact O-N 3.13Å; A257-T261 PolarHBondContact O-OG1 2.95Å; I258-T261 PolarHBondContact O-N 3.5Å; I258-T261 VanDerWaalsContact O-N 3.13Å; T261-R264 WeakPolarHBondContact O-CB 3.4Å; T261-R264 PolarHBondContact O-N 2.9Å |
| 262 | L | 79.6 | Confident | 76 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -51 | -50 | -178.6 | -83 | 161.6 | 0 | 0 | 0 | 113.6 | L238 V243 F254 I258 R264 L265 I268 L272 L276 | L238-L262 HydrophobicContact CD2-CD2 3.5Å; L238-L262 VanDerWaalsContact CD2-CD2 3.5Å; L238-L262 HydrophobicContact CD2-CG 4.08Å; V243-L262 HydrophobicContact CG1-CD2 4.32Å; F254-L262 HydrophobicContact CD2-CD1 3.69Å; F254-L262 HydrophobicContact CE2-CD1 3.58Å; I258-L262 HydrophobicContact CG2-CD1 4.02Å; I258-L262 HydrophobicContact CG2-CG 4.38Å; I258-L262 WeakPolarHBondContact O-CG 3.23Å; I258-L262 PolarHBondContact O-N 2.75Å; L262-R264 PolarHBondContact O-N 3.16Å; L262-L265 PolarHBondContact O-N 3.3Å; L262-I268 WeakPolarHBondContact O-CD1 3.31Å; L262-L272 HydrophobicContact CD2-CD2 3.8Å; L262-L276 HydrophobicContact CB-CD1 4.08Å; L262-L276 HydrophobicContact CB-CD2 4.26Å; L262-L276 HydrophobicContact CD1-CD2 4.05Å |
| 263 | P | 73.7 | Confident | 76.4 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 8% | 0.078 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -59.3 | -16.9 | 179.9 | -24.3 | 32.4 | 0 | 0 | 0 | 115.8 | I259 T284 S287 M288 | I259-P263 WeakPolarHBondContact O-CD 3.22Å; P263-T284 HydrophobicContact CG-CG2 3.87Å; P263-S287 VanDerWaalsContact CB-CB 3.47Å; P263-M288 HydrophobicContact CB-CE 3.8Å; P263-M288 HydrophobicContact CG-CE 4.16Å |
| 264 | R | 71.2 | Confident | 76.6 | Confident | 150 Ų | 150 | 46.6 Ų | 46.6 | 57% | 0.566 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -83.9 | -14.4 | 178.3 | -59.3 | -179.4 | 175.7 | -177.8 | -3.1 | 112.9 | N183 T261 L262 | N183-R264 PolarHBondContact OD1-NH1 3.42Å; N183-R264 PolarHBondContact OD1-NH2 3.46Å; T261-R264 WeakPolarHBondContact O-CB 3.4Å; T261-R264 PolarHBondContact O-N 2.9Å; L262-R264 PolarHBondContact O-N 3.16Å |
| 265 | L | 72.5 | Confident | 77 | Confident | 44 Ų | 44 | 48.3 Ų | 48.3 | 23% | 0.23 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -85.4 | 127.7 | -177.3 | -63.6 | 175.7 | 0 | 0 | 0 | 112.1 | L238 V243 L262 G267 I268 | L238-L265 HydrophobicContact CB-CD1 3.9Å; L238-L265 HydrophobicContact CD2-CD1 3.37Å; L238-L265 HydrophobicContact CG-CD1 4.14Å; V243-L265 HydrophobicContact CG2-CD1 3.88Å; L262-L265 PolarHBondContact O-N 3.3Å; L265-G267 PolarHBondContact O-N 3.1Å; L265-I268 HydrophobicContact CB-CG1 4.42Å |
| 266 | K | 66.6 | Low | 77.5 | Confident | 216 Ų | 216 | 46.9 Ų | 46.9 | 94% | 0.939 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | 126.1 | 169.6 | -71.9 | -176.7 | 177.9 | 178.3 | 0 | 109.3 | ||
| 267 | G | 70.4 | Confident | 78.5 | Confident | 70 Ų | 70 | 44.6 Ų | 44.6 | 72% | 0.722 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 104.7 | 15.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | L265 | L265-G267 PolarHBondContact O-N 3.1Š|
| 268 | I | 80.3 | Confident | 79.4 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 5% | 0.046 | 25% | 0.252 | C | S | . | . | trans | -55.7 | 139.9 | 169.5 | -53.1 | 168.2 | 0 | 0 | 0 | 110.1 | V243 L262 L265 L272 R273 L276 M288 | V243-I268 HydrophobicContact CG1-CG1 4.43Å; V243-I268 HydrophobicContact CG1-CG2 4.48Å; L262-I268 WeakPolarHBondContact O-CD1 3.31Å; L265-I268 HydrophobicContact CB-CG1 4.42Å; I268-L272 HydrophobicContact CG2-CB 3.7Å; I268-L272 HydrophobicContact CG2-CD2 3.91Å; I268-L272 HydrophobicContact CG2-CG 3.9Å; I268-R273 HydrophobicContact CB-CG 4.24Å; I268-R273 HydrophobicContact CG2-CG 3.89Å; I268-R273 PolarHBondContact O-NH1 3.28Å; I268-L276 HydrophobicContact CD1-CD1 4.41Å; I268-L276 HydrophobicContact CG2-CD1 4.47Å; I268-M288 HydrophobicContact CD1-CE 3.6Å | ||
| 269 | S | 84.4 | Confident | 79.7 | Confident | 28 Ų | 28 | 49 Ų | 49 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | trans | -75.5 | 157.3 | 177.1 | 64.6 | 0 | 0 | 0 | 0 | 113.5 | E247 N271 L272 R273 | E247-S269 WeakPolarHBondContact CG-OG 3.39Å; E247-S269 WeakPolarHBondContact OE1-CB 3.38Å; E247-S269 PolarHBondContact OE1-OG 2.95Å; S269-N271 PolarHBondContact O-N 3.43Å; S269-L272 PolarHBondContact O-N 3.01Å; S269-L272 VanDerWaalsContact O-N 3.15Å; S269-R273 WeakPolarHBondContact O-CG 3.41Å; S269-R273 PolarHBondContact O-N 2.82Å | ||
| 270 | A | 83.4 | Confident | 79.7 | Confident | 36 Ų | 36 | 56 Ų | 56 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55.2 | -34.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K274 E296 | A270-K274 WeakPolarHBondContact O-CG 3.46Å; A270-K274 PolarHBondContact O-N 3.18Å; A270-K274 VanDerWaalsContact O-N 3.14Å; A270-E296 HydrophobicContact CB-CG 4.37Å; A270-E296 WeakPolarHBondContact CB-OE1 3.48Å |
| 271 | N | 85.1 | Confident | 79.9 | Confident | 106 Ų | 106 | 54.9 Ų | 54.9 | 57% | 0.567 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -66.6 | -48.1 | 177 | -98.7 | -8.7 | 0 | 0 | 0 | 112 | S269 R273 K274 Q275 | S269-N271 PolarHBondContact O-N 3.43Å; N271-R273 VanDerWaalsContact C-N 3.34Å; N271-K274 PolarHBondContact O-N 2.84Å; N271-Q275 WeakPolarHBondContact O-CG 3.24Å; N271-Q275 PolarHBondContact O-N 3.33Å; N271-Q275 VanDerWaalsContact O-N 3.14Å |
| 272 | L | 86.4 | Confident | 80.1 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.4 | -35.1 | -179.8 | -171.5 | 58.9 | 0 | 0 | 0 | 111.3 | V243 F246 F254 L262 I268 S269 K274 Q275 L276 | V243-L272 HydrophobicContact CG1-CD2 3.73Å; F246-L272 HydrophobicContact CB-CD2 3.95Å; F254-L272 HydrophobicContact CE2-CD1 4.46Å; F254-L272 HydrophobicContact CZ-CD1 4.34Å; L262-L272 HydrophobicContact CD2-CD2 3.8Å; I268-L272 HydrophobicContact CG2-CB 3.7Å; I268-L272 HydrophobicContact CG2-CD2 3.91Å; I268-L272 HydrophobicContact CG2-CG 3.9Å; S269-L272 PolarHBondContact O-N 3.01Å; S269-L272 VanDerWaalsContact O-N 3.15Å; L272-K274 PolarHBondContact O-N 3.37Å; L272-Q275 PolarHBondContact O-N 3.28Å; L272-L276 HydrophobicContact CG-CD1 4.2Å; L272-L276 WeakPolarHBondContact O-CB 3.19Å; L272-L276 WeakPolarHBondContact O-CG 3.37Å; L272-L276 PolarHBondContact O-N 3.38Å |
| 273 | R | 86 | Confident | 79.4 | Confident | 49 Ų | 49 | 61 Ų | 61 | 19% | 0.185 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 172 | -70.3 | -158.9 | -82.3 | -88.7 | -11.3 | 113 | I268 S269 N271 Q275 L276 I277 M288 M292 E296 | I268-R273 HydrophobicContact CB-CG 4.24Å; I268-R273 HydrophobicContact CG2-CG 3.89Å; I268-R273 PolarHBondContact O-NH1 3.28Å; S269-R273 WeakPolarHBondContact O-CG 3.41Å; S269-R273 PolarHBondContact O-N 2.82Å; N271-R273 VanDerWaalsContact C-N 3.34Å; R273-Q275 VanDerWaalsContact C-N 3.33Å; R273-Q275 PolarHBondContact O-N 3.28Å; R273-L276 PolarHBondContact O-N 3.4Å; R273-I277 PolarHBondContact O-N 3.47Å; R273-I277 VanDerWaalsContact O-N 3.11Å; R273-M288 HydrophobicContact CB-SD 3.79Å; R273-M288 HydrophobicContact CG-SD 3.43Å; R273-M288 WeakPolarHBondContact CG-SD 3.37Å; R273-M292 HydrophobicContact CB-CE 3.94Å; R273-E296 IonicContact CZ-OE1 2.64Å; R273-E296 IonicContact CZ-OE2 3.61Å; R273-E296 IonicContact NE-OE1 2.73Å; R273-E296 PolarHBondContact NE-OE1 3.42Å; R273-E296 IonicContact NE-OE2 3.71Å; R273-E296 PolarHBondContact NE-OE2 2.73Å; R273-E296 IonicContact NH2-OE1 2.76Å; R273-E296 PolarHBondContact NH2-OE1 2.99Å; R273-E296 IonicContact NH2-OE2 3.15Å |
| 274 | K | 83.4 | Confident | 79.7 | Confident | 73 Ų | 73 | 60.6 Ų | 60.6 | 32% | 0.317 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.1 | -34.6 | 176.7 | -73.7 | 174.3 | -177 | 177.4 | 0 | 112.9 | A270 N271 L272 N278 E299 | A270-K274 WeakPolarHBondContact O-CG 3.46Å; A270-K274 PolarHBondContact O-N 3.18Å; A270-K274 VanDerWaalsContact O-N 3.14Å; N271-K274 PolarHBondContact O-N 2.84Å; L272-K274 PolarHBondContact O-N 3.37Å; K274-N278 PolarHBondContact O-ND2 3.34Å; K274-E299 WeakPolarHBondContact CE-OE2 3.29Å; K274-E299 IonicContact NZ-OE2 3.77Å; K274-E299 PolarHBondContact NZ-OE2 3.49Å |
| 275 | Q | 86 | Confident | 80.4 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 25% | 0.252 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 172.5 | -68.1 | 176.5 | -0.5 | 0 | 0 | 110.6 | R249 I251 N271 L272 R273 I277 N278 | R249-Q275 PolarHBondContact O-OE1 3.42Å; I251-Q275 HydrophobicContact CD1-CB 4.06Å; I251-Q275 VanDerWaalsContact CD1-O 3.3Å; I251-Q275 WeakPolarHBondContact CD1-O 3.41Å; N271-Q275 WeakPolarHBondContact O-CG 3.24Å; N271-Q275 PolarHBondContact O-N 3.33Å; N271-Q275 VanDerWaalsContact O-N 3.14Å; L272-Q275 PolarHBondContact O-N 3.28Å; R273-Q275 VanDerWaalsContact C-N 3.33Å; R273-Q275 PolarHBondContact O-N 3.28Å; Q275-I277 VanDerWaalsContact C-N 3.3Å; Q275-I277 PolarHBondContact O-N 3.3Å; Q275-N278 WeakPolarHBondContact O-CA 3.29Å; Q275-N278 PolarHBondContact O-N 2.68Å |
| 276 | L | 87 | Confident | 80.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.5 | -31 | 179.4 | -74.7 | 162.8 | 0 | 0 | 0 | 114 | I251 L262 I268 L272 R273 N278 S279 T284 M288 | I251-L276 HydrophobicContact CD1-CB 3.97Å; I251-L276 HydrophobicContact CD1-CD2 3.46Å; I251-L276 VanDerWaalsContact CD1-CD2 3.46Å; I251-L276 HydrophobicContact CD1-CG 3.62Å; I251-L276 VanDerWaalsContact CD1-N 3.28Å; I251-L276 HydrophobicContact CG1-CD2 4.3Å; L262-L276 HydrophobicContact CB-CD1 4.08Å; L262-L276 HydrophobicContact CB-CD2 4.26Å; L262-L276 HydrophobicContact CD1-CD2 4.05Å; I268-L276 HydrophobicContact CD1-CD1 4.41Å; I268-L276 HydrophobicContact CG2-CD1 4.47Å; L272-L276 HydrophobicContact CG-CD1 4.2Å; L272-L276 WeakPolarHBondContact O-CB 3.19Å; L272-L276 WeakPolarHBondContact O-CG 3.37Å; L272-L276 PolarHBondContact O-N 3.38Å; R273-L276 PolarHBondContact O-N 3.4Å; L276-N278 PolarHBondContact O-N 3.03Å; L276-S279 WeakPolarHBondContact O-CB 3.38Å; L276-S279 PolarHBondContact O-N 2.99Å; L276-S279 VanDerWaalsContact O-N 3.14Å; L276-T284 HydrophobicContact CB-CG2 4.24Å; L276-T284 HydrophobicContact CD2-CG2 3.45Å; L276-T284 VanDerWaalsContact CD2-CG2 3.45Å; L276-T284 HydrophobicContact CG-CG2 4.41Å; L276-M288 HydrophobicContact CB-CB 4.47Å; L276-M288 HydrophobicContact CB-CG 3.38Å; L276-M288 HydrophobicContact CB-SD 4.44Å; L276-M288 HydrophobicContact CD1-CE 4.2Å; L276-M288 HydrophobicContact CD1-CG 4.02Å; L276-M288 HydrophobicContact CD1-SD 4.16Å; L276-M288 HydrophobicContact CG-CG 4.32Å |
| 277 | I | 87.3 | Confident | 81.3 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -20.9 | 171.3 | -72.8 | -64.4 | 0 | 0 | 0 | 113.2 | R273 Q275 I285 M288 A289 M292 L300 Q304 V310 | R273-I277 PolarHBondContact O-N 3.47Å; R273-I277 VanDerWaalsContact O-N 3.11Å; Q275-I277 VanDerWaalsContact C-N 3.3Å; Q275-I277 PolarHBondContact O-N 3.3Å; I277-I285 HydrophobicContact CD1-CG2 4.22Å; I277-I285 VanDerWaalsContact O-CD1 3.32Å; I277-I285 WeakPolarHBondContact O-CD1 3.33Å; I277-I285 WeakPolarHBondContact O-CG1 3.41Å; I277-M288 HydrophobicContact CD1-CB 3.65Å; I277-M288 HydrophobicContact CG1-CB 4.1Å; I277-A289 HydrophobicContact CD1-CB 4.08Å; I277-M292 HydrophobicContact CD1-CE 4.33Å; I277-M292 HydrophobicContact CG1-CE 3.48Å; I277-M292 VanDerWaalsContact CG1-CE 3.48Å; I277-M292 HydrophobicContact CG1-SD 4.33Å; I277-L300 HydrophobicContact CB-CD2 4.44Å; I277-L300 HydrophobicContact CG1-CD2 4.42Å; I277-L300 HydrophobicContact CG2-CD2 3.79Å; I277-Q304 HydrophobicContact CG2-CB 4.48Å; I277-Q304 HydrophobicContact CG2-CG 4.45Å; I277-V310 HydrophobicContact CD1-CG2 4.27Å; I277-V310 HydrophobicContact CG2-CG2 4.3Å |
| 278 | N | 86.2 | Confident | 82 | Confident | 92 Ų | 92 | 41 Ų | 41 | 49% | 0.492 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 15.6 | 175.1 | -60.9 | -51.8 | 0 | 0 | 0 | 112.8 | K274 Q275 L276 Q304 | K274-N278 PolarHBondContact O-ND2 3.34Å; Q275-N278 WeakPolarHBondContact O-CA 3.29Å; Q275-N278 PolarHBondContact O-N 2.68Å; L276-N278 PolarHBondContact O-N 3.03Å; N278-Q304 PolarHBondContact ND2-NE2 2.82Å; N278-Q304 PolarHBondContact OD1-NE2 2.85Å |
| 279 | S | 83.3 | Confident | 82.3 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | trans | -63 | 155 | 174.1 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | L276 D281 I285 | L276-S279 WeakPolarHBondContact O-CB 3.38Å; L276-S279 PolarHBondContact O-N 2.99Å; L276-S279 VanDerWaalsContact O-N 3.14Å; S279-D281 PolarHBondContact OG-N 3.4Å; S279-D281 VanDerWaalsContact OG-N 3.1Å; S279-I285 WeakPolarHBondContact O-CD1 3.35Å | ||
| 280 | N | 78.6 | Confident | 82.2 | Confident | 158 Ų | 158 | 42 Ų | 42 | 85% | 0.845 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -82.7 | -3.4 | 168.8 | -67.5 | -26.5 | 0 | 0 | 0 | 112.5 | ||
| 281 | D | 74 | Confident | 82 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 8% | 0.075 | 23% | 0.226 | C | C | . | . | trans | -97.6 | 108.4 | 178.9 | 179.3 | 81.7 | 0 | 0 | 0 | 110.5 | L256 I259 R260 S279 Q283 T284 I285 | L256-D281 HydrophobicContact CD1-CB 4.34Å; I259-D281 HydrophobicContact CG2-CB 4.16Å; R260-D281 IonicContact CZ-OD1 3.55Å; R260-D281 IonicContact NE-OD1 2.87Å; R260-D281 PolarHBondContact NE-OD1 3.48Å; R260-D281 IonicContact NE-OD2 3.75Å; R260-D281 IonicContact NH2-OD1 2.65Å; R260-D281 PolarHBondContact NH2-OD1 3.25Å; S279-D281 PolarHBondContact OG-N 3.4Å; S279-D281 VanDerWaalsContact OG-N 3.1Å; D281-Q283 PolarHBondContact O-N 3.15Å; D281-T284 WeakPolarHBondContact O-CB 3.38Å; D281-T284 PolarHBondContact O-N 2.8Å; D281-T284 VanDerWaalsContact O-N 3.14Å; D281-T284 VanDerWaalsContact OD2-CB 3.29Å; D281-T284 WeakPolarHBondContact OD2-CB 3.37Å; D281-T284 PolarHBondContact OD2-N 3.25Å; D281-T284 PolarHBondContact OD2-OG1 3.36Å; D281-I285 PolarHBondContact O-N 3.25Å; D281-I285 VanDerWaalsContact O-N 3.16Å | ||
| 282 | E | 76.3 | Confident | 82.1 | Confident | 93 Ų | 93 | 42.4 Ų | 42.4 | 44% | 0.435 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -56.4 | -36.6 | -176.4 | -63.4 | -166.8 | 153.6 | 0 | 0 | 112.6 | T284 I285 E286 Y307 P309 | E282-T284 PolarHBondContact O-N 3.45Å; E282-I285 PolarHBondContact O-N 3.22Å; E282-E286 WeakPolarHBondContact O-CB 3.32Å; E282-E286 PolarHBondContact O-N 3.21Å; E282-Y307 PolarHBondContact OE1-OH 2.97Å; E282-Y307 VanDerWaalsContact OE1-OH 3.08Å; E282-P309 HydrophobicContact CB-CB 3.98Å; E282-P309 HydrophobicContact CB-CG 3.58Å; E282-P309 HydrophobicContact CG-CG 3.63Å; E282-P309 WeakPolarHBondContact O-CB 3.41Å |
| 283 | Q | 65.1 | Low | 82 | Confident | 68 Ų | 68 | 44.2 Ų | 44.2 | 32% | 0.318 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68 | -36.7 | -179.2 | -166.4 | 174 | 31.3 | 0 | 0 | 112.4 | M180 D281 S287 | M180-Q283 PolarHBondContact O-NE2 3.17Å; M180-Q283 PolarHBondContact O-OE1 3.29Å; D281-Q283 PolarHBondContact O-N 3.15Å; Q283-S287 VanDerWaalsContact O-CB 3.29Å; Q283-S287 WeakPolarHBondContact O-CB 3.36Å; Q283-S287 PolarHBondContact O-N 3.39Å; Q283-S287 PolarHBondContact O-OG 2.94Å |
| 284 | T | 80.3 | Confident | 81.9 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | 173.1 | -61.8 | 0 | 0 | 0 | 0 | 111.2 | I259 P263 L276 D281 E282 S287 M288 | I259-T284 HydrophobicContact CG2-CG2 3.77Å; I259-T284 VanDerWaalsContact CG2-OG1 3.24Å; I259-T284 WeakPolarHBondContact CG2-OG1 3.4Å; I259-T284 PolarHBondContact O-OG1 2.97Å; P263-T284 HydrophobicContact CG-CG2 3.87Å; L276-T284 HydrophobicContact CB-CG2 4.24Å; L276-T284 HydrophobicContact CD2-CG2 3.45Å; L276-T284 VanDerWaalsContact CD2-CG2 3.45Å; L276-T284 HydrophobicContact CG-CG2 4.41Å; D281-T284 WeakPolarHBondContact O-CB 3.38Å; D281-T284 PolarHBondContact O-N 2.8Å; D281-T284 VanDerWaalsContact O-N 3.14Å; D281-T284 VanDerWaalsContact OD2-CB 3.29Å; D281-T284 WeakPolarHBondContact OD2-CB 3.37Å; D281-T284 PolarHBondContact OD2-N 3.25Å; D281-T284 PolarHBondContact OD2-OG1 3.36Å; E282-T284 PolarHBondContact O-N 3.45Å; T284-S287 PolarHBondContact O-N 3.21Å; T284-M288 WeakPolarHBondContact O-CB 3.35Å; T284-M288 PolarHBondContact O-N 3.22Å |
| 285 | I | 86.3 | Confident | 82 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -48 | 175.8 | -67.2 | -179.6 | 0 | 0 | 0 | 110.6 | I277 S279 D281 E282 M288 A289 Y307 P309 V310 | I277-I285 HydrophobicContact CD1-CG2 4.22Å; I277-I285 VanDerWaalsContact O-CD1 3.32Å; I277-I285 WeakPolarHBondContact O-CD1 3.33Å; I277-I285 WeakPolarHBondContact O-CG1 3.41Å; S279-I285 WeakPolarHBondContact O-CD1 3.35Å; D281-I285 PolarHBondContact O-N 3.25Å; D281-I285 VanDerWaalsContact O-N 3.16Å; E282-I285 PolarHBondContact O-N 3.22Å; I285-M288 PolarHBondContact O-N 3.26Å; I285-A289 WeakPolarHBondContact O-CB 3.16Å; I285-A289 PolarHBondContact O-N 3.22Å; I285-Y307 HydrophobicContact CD1-CD1 3.91Å; I285-Y307 HydrophobicContact CD1-CE1 3.52Å; I285-Y307 HydrophobicContact CG2-CD1 4.22Å; I285-P309 HydrophobicContact CB-CB 4.05Å; I285-P309 HydrophobicContact CG2-CB 3.88Å; I285-V310 HydrophobicContact CG2-CB 4.27Å; I285-V310 HydrophobicContact CG2-CG2 3.25Å |
| 286 | E | 78.9 | Confident | 82 | Confident | 41 Ų | 41 | 43.8 Ų | 43.8 | 19% | 0.192 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.5 | -48.4 | 177.3 | -170.9 | -166.2 | 123.5 | 0 | 0 | 111.3 | E282 M288 A289 R290 P309 L312 G313 | E282-E286 WeakPolarHBondContact O-CB 3.32Å; E282-E286 PolarHBondContact O-N 3.21Å; E286-M288 VanDerWaalsContact C-N 3.33Å; E286-M288 PolarHBondContact O-N 3.17Å; E286-A289 PolarHBondContact O-N 3.35Å; E286-R290 WeakPolarHBondContact O-CB 3.02Å; E286-R290 PolarHBondContact O-N 2.92Å; E286-R290 IonicContact OE1-CZ 3.48Å; E286-R290 IonicContact OE1-NH2 3.95Å; E286-R290 PolarHBondContact OE1-NH2 3.08Å; E286-P309 VanDerWaalsContact CA-O 3.23Å; E286-P309 WeakPolarHBondContact CA-O 3.14Å; E286-P309 HydrophobicContact CB-CB 4.44Å; E286-P309 WeakPolarHBondContact CB-O 3.48Å; E286-L312 HydrophobicContact CG-CB 3.99Å; E286-G313 WeakPolarHBondContact O-CA 3.39Å |
| 287 | S | 77.9 | Confident | 82 | Confident | 23 Ų | 23 | 43.9 Ų | 43.9 | 16% | 0.161 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -38.5 | 178.6 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | P263 Q283 T284 Y291 | P263-S287 VanDerWaalsContact CB-CB 3.47Å; Q283-S287 VanDerWaalsContact O-CB 3.29Å; Q283-S287 WeakPolarHBondContact O-CB 3.36Å; Q283-S287 PolarHBondContact O-N 3.39Å; Q283-S287 PolarHBondContact O-OG 2.94Å; T284-S287 PolarHBondContact O-N 3.21Å; S287-Y291 WeakPolarHBondContact O-CD2 3.38Å; S287-Y291 PolarHBondContact O-N 3.44Å |
| 288 | M | 86.4 | Confident | 81.9 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.6 | -46.8 | 173.6 | -99.8 | -43.7 | 101.2 | 0 | 0 | 112.4 | P263 I268 R273 L276 I277 T284 I285 E286 R290 Y291 M292 | P263-M288 HydrophobicContact CB-CE 3.8Å; P263-M288 HydrophobicContact CG-CE 4.16Å; I268-M288 HydrophobicContact CD1-CE 3.6Å; R273-M288 HydrophobicContact CB-SD 3.79Å; R273-M288 HydrophobicContact CG-SD 3.43Å; R273-M288 WeakPolarHBondContact CG-SD 3.37Å; L276-M288 HydrophobicContact CB-CB 4.47Å; L276-M288 HydrophobicContact CB-CG 3.38Å; L276-M288 HydrophobicContact CB-SD 4.44Å; L276-M288 HydrophobicContact CD1-CE 4.2Å; L276-M288 HydrophobicContact CD1-CG 4.02Å; L276-M288 HydrophobicContact CD1-SD 4.16Å; L276-M288 HydrophobicContact CG-CG 4.32Å; I277-M288 HydrophobicContact CD1-CB 3.65Å; I277-M288 HydrophobicContact CG1-CB 4.1Å; T284-M288 WeakPolarHBondContact O-CB 3.35Å; T284-M288 PolarHBondContact O-N 3.22Å; I285-M288 PolarHBondContact O-N 3.26Å; E286-M288 VanDerWaalsContact C-N 3.33Å; E286-M288 PolarHBondContact O-N 3.17Å; M288-R290 PolarHBondContact O-N 3.32Å; M288-Y291 PolarHBondContact O-N 2.88Å; M288-M292 WeakPolarHBondContact O-CB 3.29Å; M288-M292 PolarHBondContact O-N 2.8Å |
| 289 | A | 85.7 | Confident | 81.9 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.7 | -34.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | I277 I285 E286 Y291 V310 L314 | I277-A289 HydrophobicContact CD1-CB 4.08Å; I285-A289 WeakPolarHBondContact O-CB 3.16Å; I285-A289 PolarHBondContact O-N 3.22Å; E286-A289 PolarHBondContact O-N 3.35Å; A289-Y291 VanDerWaalsContact C-N 3.34Å; A289-Y291 PolarHBondContact O-N 2.82Å; A289-V310 HydrophobicContact CB-CB 4.31Å; A289-V310 HydrophobicContact CB-CG1 3.94Å; A289-V310 VanDerWaalsContact CB-O 3.29Å; A289-V310 WeakPolarHBondContact CB-O 3.39Å; A289-L314 HydrophobicContact CB-CG 4.29Å |
| 290 | R | 82.1 | Confident | 82 | Confident | 57 Ų | 57 | 47.8 Ų | 47.8 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -35.2 | 175.3 | -171.4 | -175.1 | -70.5 | 139.2 | 1 | 113.8 | E286 M288 G313 D316 R317 | E286-R290 WeakPolarHBondContact O-CB 3.02Å; E286-R290 PolarHBondContact O-N 2.92Å; E286-R290 IonicContact OE1-CZ 3.48Å; E286-R290 IonicContact OE1-NH2 3.95Å; E286-R290 PolarHBondContact OE1-NH2 3.08Å; M288-R290 PolarHBondContact O-N 3.32Å; R290-G313 WeakPolarHBondContact CA-O 3.39Å; R290-G313 WeakPolarHBondContact CB-O 3.48Å; R290-D316 HydrophobicContact CG-CB 4.1Å; R290-D316 IonicContact CZ-OD2 2.73Å; R290-D316 VanDerWaalsContact NE-CB 3.29Å; R290-D316 IonicContact NE-OD2 3.91Å; R290-D316 PolarHBondContact NE-OD2 3.38Å; R290-D316 IonicContact NH2-OD2 2.68Å; R290-D316 PolarHBondContact NH2-OD2 3.21Å; R290-R317 WeakPolarHBondContact O-CD 3.45Å; R290-R317 VanDerWaalsContact O-CG 3.31Å; R290-R317 WeakPolarHBondContact O-CG 3.44Å |
| 291 | Y | 80.9 | Confident | 82.4 | Confident | 150 Ų | 150 | 43.7 Ų | 43.7 | 59% | 0.588 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -110.7 | -0.9 | -176.1 | -57.2 | -62 | 0 | 0 | 0 | 114.2 | S287 M288 A289 | S287-Y291 WeakPolarHBondContact O-CD2 3.38Å; S287-Y291 PolarHBondContact O-N 3.44Å; M288-Y291 PolarHBondContact O-N 2.88Å; A289-Y291 VanDerWaalsContact C-N 3.34Å; A289-Y291 PolarHBondContact O-N 2.82Å |
| 292 | M | 85.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -68.9 | 131.8 | 177.5 | -171.6 | 173.3 | -89.9 | 0 | 0 | 110.2 | R273 I277 M288 E296 I297 L300 R317 | R273-M292 HydrophobicContact CB-CE 3.94Å; I277-M292 HydrophobicContact CD1-CE 4.33Å; I277-M292 HydrophobicContact CG1-CE 3.48Å; I277-M292 VanDerWaalsContact CG1-CE 3.48Å; I277-M292 HydrophobicContact CG1-SD 4.33Å; M288-M292 WeakPolarHBondContact O-CB 3.29Å; M288-M292 PolarHBondContact O-N 2.8Å; M292-E296 HydrophobicContact CE-CB 4.47Å; M292-E296 HydrophobicContact CG-CB 3.47Å; M292-E296 VanDerWaalsContact CG-CB 3.47Å; M292-E296 HydrophobicContact SD-CB 3.84Å; M292-I297 HydrophobicContact CB-CD1 4.31Å; M292-I297 HydrophobicContact CB-CG1 3.92Å; M292-I297 HydrophobicContact CG-CG1 3.77Å; M292-I297 WeakPolarHBondContact O-CD1 3.4Å; M292-I297 HydrophobicContact SD-CG1 3.97Å; M292-L300 HydrophobicContact SD-CD1 4.26Å; M292-L300 HydrophobicContact SD-CD2 4.28Å; M292-L300 HydrophobicContact SD-CG 4.36Å; M292-R317 PolarHBondContact O-NE 2.98Å; M292-R317 VanDerWaalsContact O-NE 3.08Å; M292-R317 PolarHBondContact O-NH2 3.24Å | ||
| 293 | P | 84.4 | Confident | 82.9 | Confident | 39 Ų | 39 | 51.3 Ų | 51.3 | 25% | 0.253 | 25% | 0.253 | S | S | . | . | trans | -72 | 155.7 | 178.2 | 27.7 | -32.6 | 0 | 0 | 0 | 112.3 | N295 E296 I297 | P293-N295 VanDerWaalsContact C-N 3.27Å; P293-N295 VanDerWaalsContact CB-OD1 3.32Å; P293-N295 WeakPolarHBondContact CB-OD1 3.41Å; P293-N295 WeakPolarHBondContact CG-OD1 3.18Å; P293-N295 PolarHBondContact O-N 3.26Å; P293-N295 VanDerWaalsContact O-N 3.16Å; P293-E296 HydrophobicContact CG-CB 4.22Å; P293-E296 HydrophobicContact CG-CG 3.95Å; P293-E296 VanDerWaalsContact CG-OE1 3.32Å; P293-E296 WeakPolarHBondContact CG-OE1 3.26Å; P293-E296 PolarHBondContact O-N 3.42Å; P293-I297 PolarHBondContact O-N 3.38Å; P293-I297 VanDerWaalsContact O-N 3.11Å | ||
| 294 | D | 83.8 | Confident | 83.9 | Confident | 56 Ų | 56 | 50 Ų | 50 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -53 | -40.9 | -172 | -81.2 | 10.6 | 0 | 0 | 0 | 113.9 | E296 I297 L298 R317 S321 I324 | D294-E296 VanDerWaalsContact C-N 3.33Å; D294-E296 PolarHBondContact O-N 3.46Å; D294-I297 PolarHBondContact O-N 3.27Å; D294-L298 VanDerWaalsContact O-CG 3.29Å; D294-L298 WeakPolarHBondContact O-CG 3.38Å; D294-L298 PolarHBondContact O-N 3.45Å; D294-R317 IonicContact OD1-CZ 3.08Å; D294-R317 IonicContact OD1-NH1 3.67Å; D294-R317 PolarHBondContact OD1-NH1 3.12Å; D294-R317 IonicContact OD1-NH2 3.6Å; D294-R317 PolarHBondContact OD1-NH2 3.49Å; D294-S321 WeakPolarHBondContact OD2-CB 3.42Å; D294-S321 PolarHBondContact OD2-OG 3.02Å; D294-I324 HydrophobicContact CB-CD1 4.31Å |
| 295 | N | 86.2 | Confident | 84 | Confident | 100 Ų | 100 | 50 Ų | 50 | 54% | 0.535 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.6 | -36.3 | 179.2 | 60.4 | -30.1 | 0 | 0 | 0 | 112.7 | P293 E299 | P293-N295 VanDerWaalsContact C-N 3.27Å; P293-N295 VanDerWaalsContact CB-OD1 3.32Å; P293-N295 WeakPolarHBondContact CB-OD1 3.41Å; P293-N295 WeakPolarHBondContact CG-OD1 3.18Å; P293-N295 PolarHBondContact O-N 3.26Å; P293-N295 VanDerWaalsContact O-N 3.16Å; N295-E299 WeakPolarHBondContact O-CG 3.45Å |
| 296 | E | 86.7 | Confident | 83.4 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 5% | 0.051 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -76.3 | -35.2 | 176.3 | -70.6 | 175.3 | -146 | 0 | 0 | 111.5 | A270 R273 M292 P293 D294 L298 E299 | A270-E296 HydrophobicContact CB-CG 4.37Å; A270-E296 WeakPolarHBondContact CB-OE1 3.48Å; R273-E296 IonicContact CZ-OE1 2.64Å; R273-E296 IonicContact CZ-OE2 3.61Å; R273-E296 IonicContact NE-OE1 2.73Å; R273-E296 PolarHBondContact NE-OE1 3.42Å; R273-E296 IonicContact NE-OE2 3.71Å; R273-E296 PolarHBondContact NE-OE2 2.73Å; R273-E296 IonicContact NH2-OE1 2.76Å; R273-E296 PolarHBondContact NH2-OE1 2.99Å; R273-E296 IonicContact NH2-OE2 3.15Å; M292-E296 HydrophobicContact CE-CB 4.47Å; M292-E296 HydrophobicContact CG-CB 3.47Å; M292-E296 VanDerWaalsContact CG-CB 3.47Å; M292-E296 HydrophobicContact SD-CB 3.84Å; P293-E296 HydrophobicContact CG-CB 4.22Å; P293-E296 HydrophobicContact CG-CG 3.95Å; P293-E296 VanDerWaalsContact CG-OE1 3.32Å; P293-E296 WeakPolarHBondContact CG-OE1 3.26Å; P293-E296 PolarHBondContact O-N 3.42Å; D294-E296 VanDerWaalsContact C-N 3.33Å; D294-E296 PolarHBondContact O-N 3.46Å; E296-L298 VanDerWaalsContact C-N 3.33Å; E296-L298 PolarHBondContact O-N 3.37Å; E296-E299 WeakPolarHBondContact O-CB 3.38Å; E296-E299 PolarHBondContact O-N 2.97Å; E296-E299 VanDerWaalsContact O-N 3.11Å |
| 297 | I | 86 | Confident | 83.5 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 176.2 | -64.6 | 160.5 | 0 | 0 | 0 | 111 | M292 P293 D294 E299 L300 L305 L314 I324 | M292-I297 HydrophobicContact CB-CD1 4.31Å; M292-I297 HydrophobicContact CB-CG1 3.92Å; M292-I297 HydrophobicContact CG-CG1 3.77Å; M292-I297 WeakPolarHBondContact O-CD1 3.4Å; M292-I297 HydrophobicContact SD-CG1 3.97Å; P293-I297 PolarHBondContact O-N 3.38Å; P293-I297 VanDerWaalsContact O-N 3.11Å; D294-I297 PolarHBondContact O-N 3.27Å; I297-E299 PolarHBondContact O-N 2.93Å; I297-L300 HydrophobicContact CG2-CD1 4.47Å; I297-L300 WeakPolarHBondContact O-CB 3.15Å; I297-L300 WeakPolarHBondContact O-CG 3.45Å; I297-L300 PolarHBondContact O-N 3.34Å; I297-L300 VanDerWaalsContact O-N 3.15Å; I297-L305 HydrophobicContact CG2-CD1 3.9Å; I297-L314 HydrophobicContact CD1-CD2 3.38Å; I297-L314 HydrophobicContact CG1-CD2 3.88Å; I297-L314 HydrophobicContact CG2-CD1 4.27Å; I297-L314 HydrophobicContact CG2-CD2 3.92Å; I297-I324 HydrophobicContact CB-CD1 3.91Å; I297-I324 HydrophobicContact CB-CG1 4.4Å; I297-I324 HydrophobicContact CD1-CD1 3.82Å; I297-I324 HydrophobicContact CG1-CD1 4.49Å; I297-I324 HydrophobicContact CG2-CD1 3.72Å; I297-I324 HydrophobicContact CG2-CG1 3.83Å; I297-I324 HydrophobicContact CG2-CG2 3.92Å |
| 298 | L | 85 | Confident | 83.1 | Confident | 60 Ų | 60 | 57.2 Ų | 57.2 | 31% | 0.314 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.2 | 175.9 | -70.3 | 170.7 | 0 | 0 | 0 | 113 | D294 E296 E323 I324 R327 | D294-L298 VanDerWaalsContact O-CG 3.29Å; D294-L298 WeakPolarHBondContact O-CG 3.38Å; D294-L298 PolarHBondContact O-N 3.45Å; E296-L298 VanDerWaalsContact C-N 3.33Å; E296-L298 PolarHBondContact O-N 3.37Å; L298-E323 HydrophobicContact CD2-CB 4.28Å; L298-E323 HydrophobicContact CD2-CG 3.76Å; L298-I324 HydrophobicContact CD2-CG1 4.26Å; L298-R327 PolarHBondContact O-NH1 3.28Å |
| 299 | E | 86.1 | Confident | 82.6 | Confident | 118 Ų | 118 | 57.2 Ų | 57.2 | 55% | 0.551 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -9.8 | 176.4 | -67.9 | 175.2 | 176.9 | 0 | 0 | 113.8 | K274 N295 E296 I297 | K274-E299 WeakPolarHBondContact CE-OE2 3.29Å; K274-E299 IonicContact NZ-OE2 3.77Å; K274-E299 PolarHBondContact NZ-OE2 3.49Å; N295-E299 WeakPolarHBondContact O-CG 3.45Å; E296-E299 WeakPolarHBondContact O-CB 3.38Å; E296-E299 PolarHBondContact O-N 2.97Å; E296-E299 VanDerWaalsContact O-N 3.11Å; I297-E299 PolarHBondContact O-N 2.93Å |
| 300 | L | 86.4 | Confident | 82.5 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -62.4 | 149.6 | 173.2 | -62.2 | -178.6 | 0 | 0 | 0 | 110.5 | I277 M292 I297 Q304 L305 V310 R327 | I277-L300 HydrophobicContact CB-CD2 4.44Å; I277-L300 HydrophobicContact CG1-CD2 4.42Å; I277-L300 HydrophobicContact CG2-CD2 3.79Å; M292-L300 HydrophobicContact SD-CD1 4.26Å; M292-L300 HydrophobicContact SD-CD2 4.28Å; M292-L300 HydrophobicContact SD-CG 4.36Å; I297-L300 HydrophobicContact CG2-CD1 4.47Å; I297-L300 WeakPolarHBondContact O-CB 3.15Å; I297-L300 WeakPolarHBondContact O-CG 3.45Å; I297-L300 PolarHBondContact O-N 3.34Å; I297-L300 VanDerWaalsContact O-N 3.15Å; L300-Q304 HydrophobicContact CB-CB 4.18Å; L300-L305 HydrophobicContact CD1-CD1 4.32Å; L300-V310 HydrophobicContact CD1-CG1 4.03Å; L300-R327 PolarHBondContact O-NH1 2.74Å; L300-R327 PolarHBondContact O-NH2 2.76Å |
| 301 | T | 85.9 | Confident | 82.2 | Confident | 71 Ų | 71 | 55 Ų | 55 | 44% | 0.436 | 27% | 0.27 | S | S | . | . | trans | -73.9 | 158.6 | 171 | 60.3 | 0 | 0 | 0 | 0 | 110.9 | Q303 Q304 L305 | T301-Q303 PolarHBondContact O-N 2.88Å; T301-Q304 PolarHBondContact O-N 2.81Å; T301-Q304 WeakPolarHBondContact OG1-CB 3Å; T301-Q304 VanDerWaalsContact OG1-CG 3.26Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.18Å; T301-Q304 PolarHBondContact OG1-N 3.33Å; T301-Q304 PolarHBondContact OG1-OE1 3.27Å; T301-L305 WeakPolarHBondContact O-CB 3.42Å; T301-L305 PolarHBondContact O-N 3.37Å | ||
| 302 | D | 81.5 | Confident | 81.7 | Confident | 94 Ų | 94 | 50.2 Ų | 50.2 | 50% | 0.503 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61 | -30.1 | 176.9 | -67.8 | -9.8 | 0 | 0 | 0 | 111.8 | G306 R327 L331 | D302-G306 PolarHBondContact O-N 2.91Å; D302-R327 IonicContact OD1-CZ 3.94Å; D302-R327 IonicContact OD1-NE 3.56Å; D302-R327 PolarHBondContact OD1-NE 2.94Å; D302-R327 IonicContact OD1-NH2 3.69Å; D302-R327 PolarHBondContact OD1-NH2 3.32Å; D302-L331 HydrophobicContact CB-CD2 3.93Å; D302-L331 WeakPolarHBondContact O-CD2 3.08Å |
| 303 | Q | 79.9 | Confident | 81.2 | Confident | 173 Ų | 173 | 50.2 Ų | 50.2 | 81% | 0.808 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -66.3 | -43.3 | 173.2 | -171.6 | 177 | -3 | 0 | 0 | 112 | T301 Y307 | T301-Q303 PolarHBondContact O-N 2.88Å; Q303-Y307 PolarHBondContact O-N 3.34Å |
| 304 | Q | 85.4 | Confident | 81 | Confident | 41 Ų | 41 | 48.4 Ų | 48.4 | 19% | 0.192 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.2 | -44.4 | 174.7 | -73.6 | 164 | -43.3 | 0 | 0 | 111.6 | I277 N278 L300 T301 G306 Y307 V310 | I277-Q304 HydrophobicContact CG2-CB 4.48Å; I277-Q304 HydrophobicContact CG2-CG 4.45Å; N278-Q304 PolarHBondContact ND2-NE2 2.82Å; N278-Q304 PolarHBondContact OD1-NE2 2.85Å; L300-Q304 HydrophobicContact CB-CB 4.18Å; T301-Q304 PolarHBondContact O-N 2.81Å; T301-Q304 WeakPolarHBondContact OG1-CB 3Å; T301-Q304 VanDerWaalsContact OG1-CG 3.26Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.18Å; T301-Q304 PolarHBondContact OG1-N 3.33Å; T301-Q304 PolarHBondContact OG1-OE1 3.27Å; Q304-G306 PolarHBondContact O-N 2.63Å; Q304-Y307 WeakPolarHBondContact O-CB 3.29Å; Q304-Y307 PolarHBondContact O-N 2.89Å; Q304-V310 WeakPolarHBondContact O-CB 3.29Å; Q304-V310 VanDerWaalsContact O-CG2 3.3Å; Q304-V310 WeakPolarHBondContact O-CG2 3.36Å |
| 305 | L | 82.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.6 | -28.1 | -179.4 | -163.4 | 76.7 | 0 | 0 | 0 | 112.5 | I297 L300 T301 V311 L314 R327 M328 | I297-L305 HydrophobicContact CG2-CD1 3.9Å; L300-L305 HydrophobicContact CD1-CD1 4.32Å; T301-L305 WeakPolarHBondContact O-CB 3.42Å; T301-L305 PolarHBondContact O-N 3.37Å; L305-V311 WeakPolarHBondContact O-CG2 3.29Å; L305-L314 HydrophobicContact CD1-CD1 3.84Å; L305-R327 HydrophobicContact CD2-CB 3.86Å; L305-R327 HydrophobicContact CD2-CG 3.53Å; L305-M328 HydrophobicContact CD2-CG 4.09Å; L305-M328 HydrophobicContact CG-CG 4.21Å |
| 306 | G | 73.2 | Confident | 79.5 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 8% | 0.082 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -10.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D302 Q304 Q308 V335 | D302-G306 PolarHBondContact O-N 2.91Å; Q304-G306 PolarHBondContact O-N 2.63Å; G306-Q308 PolarHBondContact O-N 3.11Å; G306-V335 VanDerWaalsContact C-CG1 3.41Å; G306-V335 WeakPolarHBondContact O-CG1 3.16Å |
| 307 | Y | 81 | Confident | 78.7 | Confident | 91 Ų | 91 | 45.9 Ų | 45.9 | 36% | 0.357 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -69.4 | 126.2 | -178.6 | -169.5 | -135.6 | 0 | 0 | 0 | 110.3 | E282 I285 Q303 Q304 P309 V310 V311 | E282-Y307 PolarHBondContact OE1-OH 2.97Å; E282-Y307 VanDerWaalsContact OE1-OH 3.08Å; I285-Y307 HydrophobicContact CD1-CD1 3.91Å; I285-Y307 HydrophobicContact CD1-CE1 3.52Å; I285-Y307 HydrophobicContact CG2-CD1 4.22Å; Q303-Y307 PolarHBondContact O-N 3.34Å; Q304-Y307 WeakPolarHBondContact O-CB 3.29Å; Q304-Y307 PolarHBondContact O-N 2.89Å; Y307-P309 VanDerWaalsContact C-CD 3.47Å; Y307-P309 VanDerWaalsContact C-N 3.33Å; Y307-P309 HydrophobicContact CD1-CB 4.48Å; Y307-P309 HydrophobicContact CD1-CG 4.02Å; Y307-P309 HydrophobicContact CE1-CB 4.31Å; Y307-P309 HydrophobicContact CE1-CG 3.58Å; Y307-P309 HydrophobicContact CE2-CG 4.35Å; Y307-V310 HydrophobicContact CD1-CG2 4.48Å; Y307-V310 WeakPolarHBondContact O-CA 3.43Å; Y307-V310 WeakPolarHBondContact O-CB 3.33Å; Y307-V310 PolarHBondContact O-N 3.14Å; Y307-V311 WeakPolarHBondContact O-CG2 3.26Å; Y307-V311 PolarHBondContact O-N 3.5Å; Y307-V311 VanDerWaalsContact O-N 3.07Å |
| 308 | Q | 70.4 | Confident | 77.3 | Confident | 119 Ų | 119 | 52.8 Ų | 52.8 | 56% | 0.556 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -53.3 | -39.6 | -169.7 | -178.9 | 166.2 | -11.3 | 0 | 0 | 114.3 | G306 V311 L312 | G306-Q308 PolarHBondContact O-N 3.11Å; Q308-V311 WeakPolarHBondContact O-CB 3.22Å; Q308-V311 PolarHBondContact O-N 2.98Å; Q308-L312 HydrophobicContact CG-CD1 4.32Å; Q308-L312 WeakPolarHBondContact O-CG 3.4Å; Q308-L312 PolarHBondContact O-N 2.83Å |
| 309 | P | 75.7 | Confident | 76 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 174.1 | -22.2 | 34.1 | 0 | 0 | 0 | 113.8 | E282 I285 E286 Y307 V311 L312 G313 | E282-P309 HydrophobicContact CB-CB 3.98Å; E282-P309 HydrophobicContact CB-CG 3.58Å; E282-P309 HydrophobicContact CG-CG 3.63Å; E282-P309 WeakPolarHBondContact O-CB 3.41Å; I285-P309 HydrophobicContact CB-CB 4.05Å; I285-P309 HydrophobicContact CG2-CB 3.88Å; E286-P309 VanDerWaalsContact CA-O 3.23Å; E286-P309 WeakPolarHBondContact CA-O 3.14Å; E286-P309 HydrophobicContact CB-CB 4.44Å; E286-P309 WeakPolarHBondContact CB-O 3.48Å; Y307-P309 VanDerWaalsContact C-CD 3.47Å; Y307-P309 VanDerWaalsContact C-N 3.33Å; Y307-P309 HydrophobicContact CD1-CB 4.48Å; Y307-P309 HydrophobicContact CD1-CG 4.02Å; Y307-P309 HydrophobicContact CE1-CB 4.31Å; Y307-P309 HydrophobicContact CE1-CG 3.58Å; Y307-P309 HydrophobicContact CE2-CG 4.35Å; P309-V311 VanDerWaalsContact C-N 3.29Å; P309-V311 PolarHBondContact O-N 3.45Å; P309-L312 PolarHBondContact O-N 3.46Å; P309-G313 PolarHBondContact O-N 3.05Å |
| 310 | V | 83.6 | Confident | 75.1 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 173.6 | 176.8 | 0 | 0 | 0 | 0 | 109.8 | I277 I285 A289 L300 Q304 Y307 G313 L314 | I277-V310 HydrophobicContact CD1-CG2 4.27Å; I277-V310 HydrophobicContact CG2-CG2 4.3Å; I285-V310 HydrophobicContact CG2-CB 4.27Å; I285-V310 HydrophobicContact CG2-CG2 3.25Å; A289-V310 HydrophobicContact CB-CB 4.31Å; A289-V310 HydrophobicContact CB-CG1 3.94Å; A289-V310 VanDerWaalsContact CB-O 3.29Å; A289-V310 WeakPolarHBondContact CB-O 3.39Å; L300-V310 HydrophobicContact CD1-CG1 4.03Å; Q304-V310 WeakPolarHBondContact O-CB 3.29Å; Q304-V310 VanDerWaalsContact O-CG2 3.3Å; Q304-V310 WeakPolarHBondContact O-CG2 3.36Å; Y307-V310 HydrophobicContact CD1-CG2 4.48Å; Y307-V310 WeakPolarHBondContact O-CA 3.43Å; Y307-V310 WeakPolarHBondContact O-CB 3.33Å; Y307-V310 PolarHBondContact O-N 3.14Å; V310-G313 PolarHBondContact O-N 3.18Å; V310-L314 HydrophobicContact CG1-CD1 3.99Å; V310-L314 HydrophobicContact CG1-CG 4.31Å; V310-L314 WeakPolarHBondContact O-CB 3.39Å; V310-L314 VanDerWaalsContact O-CG 3.27Å; V310-L314 WeakPolarHBondContact O-CG 3.34Å; V310-L314 PolarHBondContact O-N 3.07Å |
| 311 | V | 76.5 | Confident | 74.6 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -45.5 | -179.7 | 169 | 0 | 0 | 0 | 0 | 112.2 | L305 Y307 Q308 P309 L314 L315 M328 L338 | L305-V311 WeakPolarHBondContact O-CG2 3.29Å; Y307-V311 WeakPolarHBondContact O-CG2 3.26Å; Y307-V311 PolarHBondContact O-N 3.5Å; Y307-V311 VanDerWaalsContact O-N 3.07Å; Q308-V311 WeakPolarHBondContact O-CB 3.22Å; Q308-V311 PolarHBondContact O-N 2.98Å; P309-V311 VanDerWaalsContact C-N 3.29Å; P309-V311 PolarHBondContact O-N 3.45Å; V311-L314 PolarHBondContact O-N 3.48Å; V311-L315 HydrophobicContact CG1-CD1 4.42Å; V311-L315 WeakPolarHBondContact O-CG 3.26Å; V311-L315 PolarHBondContact O-N 2.77Å; V311-M328 HydrophobicContact CB-CE 4.31Å; V311-M328 HydrophobicContact CG1-CE 3.8Å; V311-M328 HydrophobicContact CG2-CE 4.14Å; V311-L338 HydrophobicContact CB-CD2 4.48Å; V311-L338 HydrophobicContact CG1-CB 4.39Å; V311-L338 HydrophobicContact CG1-CD2 3Å; V311-L338 HydrophobicContact CG1-CG 4.25Å |
| 312 | L | 68.9 | Low | 74 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 175.9 | -72 | 170.6 | 0 | 0 | 0 | 111.6 | E286 Q308 P309 L314 L315 D316 A355 | E286-L312 HydrophobicContact CG-CB 3.99Å; Q308-L312 HydrophobicContact CG-CD1 4.32Å; Q308-L312 WeakPolarHBondContact O-CG 3.4Å; Q308-L312 PolarHBondContact O-N 2.83Å; P309-L312 PolarHBondContact O-N 3.46Å; L312-L314 PolarHBondContact O-N 2.89Å; L312-L315 PolarHBondContact O-N 3.03Å; L312-D316 PolarHBondContact O-N 3.26Å; L312-A355 WeakPolarHBondContact CD2-O 3.23Å |
| 313 | G | 75.6 | Confident | 73.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.6 | -44 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E286 R290 P309 V310 L315 D316 R317 | E286-G313 WeakPolarHBondContact O-CA 3.39Å; R290-G313 WeakPolarHBondContact CA-O 3.39Å; R290-G313 WeakPolarHBondContact CB-O 3.48Å; P309-G313 PolarHBondContact O-N 3.05Å; V310-G313 PolarHBondContact O-N 3.18Å; G313-L315 VanDerWaalsContact C-N 3.32Å; G313-L315 PolarHBondContact O-N 3.22Å; G313-D316 PolarHBondContact O-N 3.08Å; G313-R317 PolarHBondContact O-N 3.48Å |
| 314 | L | 81.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -38.8 | 175.4 | -75.6 | 177.9 | 0 | 0 | 0 | 112.5 | A289 I297 L305 V310 V311 L312 R317 L320 I324 M328 | A289-L314 HydrophobicContact CB-CG 4.29Å; I297-L314 HydrophobicContact CD1-CD2 3.38Å; I297-L314 HydrophobicContact CG1-CD2 3.88Å; I297-L314 HydrophobicContact CG2-CD1 4.27Å; I297-L314 HydrophobicContact CG2-CD2 3.92Å; L305-L314 HydrophobicContact CD1-CD1 3.84Å; V310-L314 HydrophobicContact CG1-CD1 3.99Å; V310-L314 HydrophobicContact CG1-CG 4.31Å; V310-L314 WeakPolarHBondContact O-CB 3.39Å; V310-L314 VanDerWaalsContact O-CG 3.27Å; V310-L314 WeakPolarHBondContact O-CG 3.34Å; V310-L314 PolarHBondContact O-N 3.07Å; V311-L314 PolarHBondContact O-N 3.48Å; L312-L314 PolarHBondContact O-N 2.89Å; L314-R317 VanDerWaalsContact O-CB 3.22Å; L314-R317 WeakPolarHBondContact O-CB 3.39Å; L314-R317 PolarHBondContact O-N 3.25Å; L314-L320 HydrophobicContact CB-CD2 4.01Å; L314-L320 HydrophobicContact CD2-CD2 4.16Å; L314-L320 WeakPolarHBondContact O-CD1 3.4Å; L314-L320 VanDerWaalsContact O-CG 3.29Å; L314-L320 WeakPolarHBondContact O-CG 3.32Å; L314-I324 HydrophobicContact CD1-CG2 4.2Å; L314-M328 HydrophobicContact CD1-SD 4.01Å |
| 315 | L | 69.1 | Low | 73.3 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.3 | -33 | -179.6 | -73.6 | 175.7 | 0 | 0 | 0 | 113.3 | V311 L312 G313 R317 L320 L338 M352 A355 | V311-L315 HydrophobicContact CG1-CD1 4.42Å; V311-L315 WeakPolarHBondContact O-CG 3.26Å; V311-L315 PolarHBondContact O-N 2.77Å; L312-L315 PolarHBondContact O-N 3.03Å; G313-L315 VanDerWaalsContact C-N 3.32Å; G313-L315 PolarHBondContact O-N 3.22Å; L315-R317 PolarHBondContact O-N 3.24Å; L315-L320 HydrophobicContact CD2-CD1 3.97Å; L315-L338 HydrophobicContact CD1-CD1 3.56Å; L315-L338 HydrophobicContact CD1-CD2 3.51Å; L315-L338 HydrophobicContact CD1-CG 4.18Å; L315-L338 HydrophobicContact CG-CD2 4.29Å; L315-M352 HydrophobicContact CB-SD 3.81Å; L315-M352 HydrophobicContact CD2-SD 3.86Å; L315-M352 HydrophobicContact CG-SD 4.34Å; L315-M352 WeakPolarHBondContact O-CE 3.18Å; L315-M352 VanDerWaalsContact O-SD 3.41Å; L315-A355 HydrophobicContact CD1-CB 3.15Å; L315-A355 HydrophobicContact CG-CB 4.49Å |
| 316 | D | 68.6 | Low | 72.9 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -10 | 171.5 | -84.6 | -23.8 | 0 | 0 | 0 | 114 | R290 L312 G313 E318 K356 | R290-D316 HydrophobicContact CG-CB 4.1Å; R290-D316 IonicContact CZ-OD2 2.73Å; R290-D316 VanDerWaalsContact NE-CB 3.29Å; R290-D316 IonicContact NE-OD2 3.91Å; R290-D316 PolarHBondContact NE-OD2 3.38Å; R290-D316 IonicContact NH2-OD2 2.68Å; R290-D316 PolarHBondContact NH2-OD2 3.21Å; L312-D316 PolarHBondContact O-N 3.26Å; G313-D316 PolarHBondContact O-N 3.08Å; D316-E318 PolarHBondContact O-N 3.4Å; D316-K356 WeakPolarHBondContact OD1-CE 3.49Å; D316-K356 IonicContact OD1-NZ 2.76Å; D316-K356 PolarHBondContact OD1-NZ 3.43Å |
| 317 | R | 69.7 | Low | 73.3 | Confident | 52 Ų | 52 | 52.9 Ų | 52.9 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -86.8 | 74.4 | 174.8 | -167.2 | 178 | 174.5 | -112.5 | -7.2 | 109.6 | R290 M292 D294 G313 L314 L315 P319 L320 | R290-R317 WeakPolarHBondContact O-CD 3.45Å; R290-R317 VanDerWaalsContact O-CG 3.31Å; R290-R317 WeakPolarHBondContact O-CG 3.44Å; M292-R317 PolarHBondContact O-NE 2.98Å; M292-R317 VanDerWaalsContact O-NE 3.08Å; M292-R317 PolarHBondContact O-NH2 3.24Å; D294-R317 IonicContact OD1-CZ 3.08Å; D294-R317 IonicContact OD1-NH1 3.67Å; D294-R317 PolarHBondContact OD1-NH1 3.12Å; D294-R317 IonicContact OD1-NH2 3.6Å; D294-R317 PolarHBondContact OD1-NH2 3.49Å; G313-R317 PolarHBondContact O-N 3.48Å; L314-R317 VanDerWaalsContact O-CB 3.22Å; L314-R317 WeakPolarHBondContact O-CB 3.39Å; L314-R317 PolarHBondContact O-N 3.25Å; L315-R317 PolarHBondContact O-N 3.24Å; R317-P319 CarbonylContact O-C 3.55Å; R317-L320 PolarHBondContact O-N 2.99Å |
| 318 | E | 56.3 | Low | 73 | Confident | 146 Ų | 146 | 48.7 Ų | 48.7 | 68% | 0.682 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -78.9 | 124.7 | 170.7 | -77.1 | -166.2 | 173.4 | 0 | 0 | 111 | D316 M352 | D316-E318 PolarHBondContact O-N 3.4Å; E318-M352 HydrophobicContact CG-CE 4.11Å; E318-M352 WeakPolarHBondContact OE1-CE 3.48Å |
| 319 | P | 57.6 | Low | 72.9 | Confident | 118 Ų | 118 | 45.1 Ų | 45.1 | 77% | 0.766 | 24% | 0.241 | S | C | * | . | S | Bend | cis | -92.5 | 145.6 | -5.4 | 34.3 | -31.4 | 0 | 0 | 0 | 114.5 | R317 | R317-P319 CarbonylContact O-C 3.55Š|
| 320 | L | 68.3 | Low | 72.9 | Confident | 25 Ų | 25 | 54 Ų | 54 | 13% | 0.131 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -80 | 142.5 | 168.3 | -87.5 | 152.3 | 0 | 0 | 0 | 111.6 | L314 L315 R317 I324 M325 | L314-L320 HydrophobicContact CB-CD2 4.01Å; L314-L320 HydrophobicContact CD2-CD2 4.16Å; L314-L320 WeakPolarHBondContact O-CD1 3.4Å; L314-L320 VanDerWaalsContact O-CG 3.29Å; L314-L320 WeakPolarHBondContact O-CG 3.32Å; L315-L320 HydrophobicContact CD2-CD1 3.97Å; R317-L320 PolarHBondContact O-N 2.99Å; L320-I324 HydrophobicContact CD2-CB 4.25Å; L320-I324 HydrophobicContact CD2-CG2 3.66Å; L320-M325 HydrophobicContact CB-CG 4.06Å; L320-M325 HydrophobicContact CB-SD 4.47Å; L320-M325 WeakPolarHBondContact O-CE 3.45Å |
| 321 | S | 75.9 | Confident | 72.2 | Confident | 30 Ų | 30 | 54 Ų | 54 | 21% | 0.21 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 148.8 | 173.8 | 70.3 | 0 | 0 | 0 | 0 | 112.6 | D294 E323 I324 M325 | D294-S321 WeakPolarHBondContact OD2-CB 3.42Å; D294-S321 PolarHBondContact OD2-OG 3.02Å; S321-E323 PolarHBondContact O-N 3.31Å; S321-I324 PolarHBondContact O-N 3.18Å; S321-I324 VanDerWaalsContact O-N 3.16Å; S321-I324 VanDerWaalsContact OG-CD1 3.32Å; S321-I324 WeakPolarHBondContact OG-CD1 3.44Å; S321-I324 WeakPolarHBondContact OG-CG1 3.29Å; S321-M325 PolarHBondContact O-N 2.81Å |
| 322 | V | 72.2 | Confident | 71.6 | Confident | 107 Ų | 107 | 57.5 Ų | 57.5 | 65% | 0.648 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -57.3 | -32.8 | 179.8 | 177.5 | 0 | 0 | 0 | 0 | 112 | M325 T326 | V322-M325 HydrophobicContact CG2-CE 4.22Å; V322-T326 VanDerWaalsContact O-CB 3.28Å; V322-T326 WeakPolarHBondContact O-CB 3.45Å; V322-T326 PolarHBondContact O-N 3.15Å; V322-T326 PolarHBondContact O-OG1 3.11Å |
| 323 | E | 80 | Confident | 70.9 | Confident | 128 Ų | 128 | 60.5 Ų | 60.5 | 60% | 0.598 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.6 | -42.5 | -180 | -162 | 165.6 | -176.8 | 0 | 0 | 111.8 | L298 S321 T326 R327 | L298-E323 HydrophobicContact CD2-CB 4.28Å; L298-E323 HydrophobicContact CD2-CG 3.76Å; S321-E323 PolarHBondContact O-N 3.31Å; E323-T326 PolarHBondContact O-N 2.82Å; E323-R327 PolarHBondContact O-N 2.89Å |
| 324 | I | 80.4 | Confident | 70 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.9 | -48.4 | 174.6 | -62.9 | 167.1 | 0 | 0 | 0 | 110.3 | D294 I297 L298 L314 L320 S321 T326 R327 M328 | D294-I324 HydrophobicContact CB-CD1 4.31Å; I297-I324 HydrophobicContact CB-CD1 3.91Å; I297-I324 HydrophobicContact CB-CG1 4.4Å; I297-I324 HydrophobicContact CD1-CD1 3.82Å; I297-I324 HydrophobicContact CG1-CD1 4.49Å; I297-I324 HydrophobicContact CG2-CD1 3.72Å; I297-I324 HydrophobicContact CG2-CG1 3.83Å; I297-I324 HydrophobicContact CG2-CG2 3.92Å; L298-I324 HydrophobicContact CD2-CG1 4.26Å; L314-I324 HydrophobicContact CD1-CG2 4.2Å; L320-I324 HydrophobicContact CD2-CB 4.25Å; L320-I324 HydrophobicContact CD2-CG2 3.66Å; S321-I324 PolarHBondContact O-N 3.18Å; S321-I324 VanDerWaalsContact O-N 3.16Å; S321-I324 VanDerWaalsContact OG-CD1 3.32Å; S321-I324 WeakPolarHBondContact OG-CD1 3.44Å; S321-I324 WeakPolarHBondContact OG-CG1 3.29Å; I324-T326 PolarHBondContact O-N 3.05Å; I324-R327 PolarHBondContact O-N 3.07Å; I324-R327 VanDerWaalsContact O-N 3.09Å; I324-M328 HydrophobicContact CG2-CG 4.4Å; I324-M328 HydrophobicContact CG2-SD 4.04Å; I324-M328 WeakPolarHBondContact O-CG 3.13Å; I324-M328 PolarHBondContact O-N 2.83Å |
| 325 | M | 71.6 | Confident | 68.7 | Low | 61 Ų | 61 | 66.1 Ų | 66.1 | 30% | 0.3 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.3 | -39.7 | 176.6 | -74.7 | -171.1 | -77.8 | 0 | 0 | 112.1 | L320 S321 V322 M328 S329 | L320-M325 HydrophobicContact CB-CG 4.06Å; L320-M325 HydrophobicContact CB-SD 4.47Å; L320-M325 WeakPolarHBondContact O-CE 3.45Å; S321-M325 PolarHBondContact O-N 2.81Å; V322-M325 HydrophobicContact CG2-CE 4.22Å; M325-M328 PolarHBondContact O-N 2.86Å; M325-S329 PolarHBondContact O-N 3.02Å |
| 326 | T | 75.9 | Confident | 68 | Low | 49 Ų | 49 | 67.3 Ų | 67.3 | 30% | 0.301 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 177 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | V322 E323 I324 S329 R330 | V322-T326 VanDerWaalsContact O-CB 3.28Å; V322-T326 WeakPolarHBondContact O-CB 3.45Å; V322-T326 PolarHBondContact O-N 3.15Å; V322-T326 PolarHBondContact O-OG1 3.11Å; E323-T326 PolarHBondContact O-N 2.82Å; I324-T326 PolarHBondContact O-N 3.05Å; T326-S329 PolarHBondContact O-N 3.18Å; T326-S329 PolarHBondContact O-OG 3.38Å; T326-R330 WeakPolarHBondContact O-CG 3.35Å |
| 327 | R | 80.9 | Confident | 67.1 | Low | 57 Ų | 57 | 67 Ų | 67 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66 | -41.8 | 178.3 | -164.5 | 176.1 | 173.7 | -162.8 | -1 | 111.8 | L298 L300 D302 L305 E323 I324 S329 R330 | L298-R327 PolarHBondContact O-NH1 3.28Å; L300-R327 PolarHBondContact O-NH1 2.74Å; L300-R327 PolarHBondContact O-NH2 2.76Å; D302-R327 IonicContact OD1-CZ 3.94Å; D302-R327 IonicContact OD1-NE 3.56Å; D302-R327 PolarHBondContact OD1-NE 2.94Å; D302-R327 IonicContact OD1-NH2 3.69Å; D302-R327 PolarHBondContact OD1-NH2 3.32Å; L305-R327 HydrophobicContact CD2-CB 3.86Å; L305-R327 HydrophobicContact CD2-CG 3.53Å; E323-R327 PolarHBondContact O-N 2.89Å; I324-R327 PolarHBondContact O-N 3.07Å; I324-R327 VanDerWaalsContact O-N 3.09Å; R327-S329 PolarHBondContact O-N 2.95Å; R327-R330 PolarHBondContact O-N 3.31Å |
| 328 | M | 75.3 | Confident | 66.4 | Low | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.015 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 174.3 | -69.5 | 175.3 | 73 | 0 | 0 | 111.7 | L305 V311 L314 I324 M325 R330 L331 L338 N339 L342 | L305-M328 HydrophobicContact CD2-CG 4.09Å; L305-M328 HydrophobicContact CG-CG 4.21Å; V311-M328 HydrophobicContact CB-CE 4.31Å; V311-M328 HydrophobicContact CG1-CE 3.8Å; V311-M328 HydrophobicContact CG2-CE 4.14Å; L314-M328 HydrophobicContact CD1-SD 4.01Å; I324-M328 HydrophobicContact CG2-CG 4.4Å; I324-M328 HydrophobicContact CG2-SD 4.04Å; I324-M328 WeakPolarHBondContact O-CG 3.13Å; I324-M328 PolarHBondContact O-N 2.83Å; M325-M328 PolarHBondContact O-N 2.86Å; M328-R330 PolarHBondContact O-N 3.43Å; M328-L331 HydrophobicContact CB-CD1 4.47Å; M328-L331 WeakPolarHBondContact O-CB 3.27Å; M328-L331 WeakPolarHBondContact O-CD1 3.3Å; M328-L331 VanDerWaalsContact O-CG 3.32Å; M328-L331 WeakPolarHBondContact O-CG 3.48Å; M328-L331 PolarHBondContact O-N 3.34Å; M328-L331 VanDerWaalsContact O-N 3.09Å; M328-L338 HydrophobicContact CE-CD2 4.02Å; M328-N339 PolarHBondContact O-OD1 2.84Å; M328-L342 HydrophobicContact CB-CD1 4.2Å; M328-L342 HydrophobicContact CE-CD1 4.22Å |
| 329 | S | 68.5 | Low | 66.5 | Low | 43 Ų | 43 | 58.6 Ų | 58.6 | 30% | 0.301 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -15.9 | 179.3 | 74.9 | 0 | 0 | 0 | 0 | 115.2 | M325 T326 R327 | M325-S329 PolarHBondContact O-N 3.02Å; T326-S329 PolarHBondContact O-N 3.18Å; T326-S329 PolarHBondContact O-OG 3.38Å; R327-S329 PolarHBondContact O-N 2.95Å |
| 330 | R | 74.9 | Confident | 66.4 | Low | 191 Ų | 191 | 57.4 Ų | 57.4 | 72% | 0.721 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -1.1 | -178.2 | -67.7 | 177.3 | -173.3 | 175.2 | 5.3 | 113.4 | T326 R327 M328 | T326-R330 WeakPolarHBondContact O-CG 3.35Å; R327-R330 PolarHBondContact O-N 3.31Å; M328-R330 PolarHBondContact O-N 3.43Å |
| 331 | L | 69.8 | Low | 65.8 | Low | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -63.3 | 148.1 | 178.4 | -66.6 | 168 | 0 | 0 | 0 | 110.8 | D302 M328 V335 R343 | D302-L331 HydrophobicContact CB-CD2 3.93Å; D302-L331 WeakPolarHBondContact O-CD2 3.08Å; M328-L331 HydrophobicContact CB-CD1 4.47Å; M328-L331 WeakPolarHBondContact O-CB 3.27Å; M328-L331 WeakPolarHBondContact O-CD1 3.3Å; M328-L331 VanDerWaalsContact O-CG 3.32Å; M328-L331 WeakPolarHBondContact O-CG 3.48Å; M328-L331 PolarHBondContact O-N 3.34Å; M328-L331 VanDerWaalsContact O-N 3.09Å; L331-V335 HydrophobicContact CD1-CG1 4.46Å; L331-R343 PolarHBondContact O-NH2 3.26Å |
| 332 | P | 63.9 | Low | 64.8 | Low | 83 Ų | 83 | 56.3 Ų | 56.3 | 54% | 0.539 | 32% | 0.32 | S | S | . | . | trans | -59.3 | 155.5 | 178.2 | -22.5 | 32.7 | 0 | 0 | 0 | 113 | G334 V335 | P332-G334 PolarHBondContact O-N 3.43Å; P332-V335 HydrophobicContact CB-CG2 4.45Å; P332-V335 WeakPolarHBondContact O-CB 3.39Å; P332-V335 WeakPolarHBondContact O-CG2 3.4Å | ||
| 333 | D | 53.4 | Low | 64.2 | Low | 112 Ų | 112 | 56.5 Ų | 56.5 | 60% | 0.599 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -15.5 | -175.6 | -74.8 | -63.5 | 0 | 0 | 0 | 115.5 | V335 R343 | D333-V335 PolarHBondContact O-N 3.49Å; D333-V335 VanDerWaalsContact O-N 3.15Å; D333-R343 VanDerWaalsContact CG-CZ 3.49Å; D333-R343 IonicContact OD1-CZ 2.74Å; D333-R343 IonicContact OD1-NE 2.7Å; D333-R343 IonicContact OD1-NH1 3.15Å; D333-R343 PolarHBondContact OD1-NH1 2.79Å; D333-R343 IonicContact OD1-NH2 3.26Å; D333-R343 IonicContact OD2-CZ 2.75Å; D333-R343 IonicContact OD2-NH1 3.08Å; D333-R343 PolarHBondContact OD2-NH1 3.34Å; D333-R343 IonicContact OD2-NH2 3.49Å; D333-R343 PolarHBondContact OD2-NH2 3.2Å |
| 334 | G | 55.8 | Low | 63 | Low | 80 Ų | 80 | 54.7 Ų | 54.7 | 83% | 0.825 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 12.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | P332 | P332-G334 PolarHBondContact O-N 3.43Š|
| 335 | V | 55.6 | Low | 61.6 | Low | 39 Ų | 39 | 61.5 Ų | 61.5 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -120.2 | 26.6 | -159.7 | -167.1 | 0 | 0 | 0 | 0 | 111.7 | G306 L331 P332 D333 N339 | G306-V335 VanDerWaalsContact C-CG1 3.41Å; G306-V335 WeakPolarHBondContact O-CG1 3.16Å; L331-V335 HydrophobicContact CD1-CG1 4.46Å; P332-V335 HydrophobicContact CB-CG2 4.45Å; P332-V335 WeakPolarHBondContact O-CB 3.39Å; P332-V335 WeakPolarHBondContact O-CG2 3.4Å; D333-V335 PolarHBondContact O-N 3.49Å; D333-V335 VanDerWaalsContact O-N 3.15Å; V335-N339 VanDerWaalsContact CB-ND2 3.31Å; V335-N339 WeakPolarHBondContact CB-ND2 3.48Å; V335-N339 VanDerWaalsContact CG1-ND2 3.34Å; V335-N339 WeakPolarHBondContact CG1-ND2 3.28Å; V335-N339 PolarHBondContact O-ND2 3.38Å; V335-N339 VanDerWaalsContact O-ND2 3.17Å |
| 336 | G | 54.3 | Low | 60.7 | Low | 30 Ų | 30 | 61.9 Ų | 61.9 | 31% | 0.309 | 34% | 0.34 | S | S | . | . | trans | 94.3 | 165.6 | 166 | 0 | 0 | 0 | 0 | 0 | 117.4 | L338 N339 | G336-L338 PolarHBondContact O-N 3.47Å; G336-L338 VanDerWaalsContact O-N 3.15Å; G336-N339 PolarHBondContact O-N 2.95Å | ||
| 337 | P | 49.1 | Very low | 59.3 | Low | 49 Ų | 49 | 62.7 Ų | 62.7 | 32% | 0.318 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.7 | -20.9 | -174 | 20 | -30.2 | 0 | 0 | 0 | 114.9 | L340 A341 W359 | P337-L340 WeakPolarHBondContact O-CB 3.35Å; P337-L340 PolarHBondContact O-N 3.48Å; P337-A341 PolarHBondContact O-N 2.86Å; P337-W359 HydrophobicContact CB-CD2 3.91Å; P337-W359 HydrophobicContact CB-CE3 3.82Å; P337-W359 HydrophobicContact CB-CH2 3.39Å; P337-W359 HydrophobicContact CB-CZ2 3.38Å; P337-W359 HydrophobicContact CB-CZ3 3.59Å; P337-W359 HydrophobicContact CG-CD2 4.11Å; P337-W359 HydrophobicContact CG-CE3 4.07Å; P337-W359 HydrophobicContact CG-CH2 4.48Å; P337-W359 HydrophobicContact CG-CZ2 4.44Å; P337-W359 HydrophobicContact CG-CZ3 4.27Å |
| 338 | L | 55.6 | Low | 57.8 | Low | 19 Ų | 19 | 64.2 Ų | 64.2 | 10% | 0.099 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.7 | -38.1 | 172.2 | -165 | 86.7 | 0 | 0 | 0 | 112.6 | V311 L315 M328 G336 L340 A341 L342 V351 A355 | V311-L338 HydrophobicContact CB-CD2 4.48Å; V311-L338 HydrophobicContact CG1-CB 4.39Å; V311-L338 HydrophobicContact CG1-CD2 3Å; V311-L338 HydrophobicContact CG1-CG 4.25Å; L315-L338 HydrophobicContact CD1-CD1 3.56Å; L315-L338 HydrophobicContact CD1-CD2 3.51Å; L315-L338 HydrophobicContact CD1-CG 4.18Å; L315-L338 HydrophobicContact CG-CD2 4.29Å; M328-L338 HydrophobicContact CE-CD2 4.02Å; G336-L338 PolarHBondContact O-N 3.47Å; G336-L338 VanDerWaalsContact O-N 3.15Å; L338-L340 PolarHBondContact O-N 3.41Å; L338-A341 PolarHBondContact O-N 2.69Å; L338-A341 VanDerWaalsContact O-N 3.16Å; L338-L342 HydrophobicContact CD2-CD1 3.74Å; L338-L342 HydrophobicContact CG-CD1 3.96Å; L338-L342 HydrophobicContact CG-CG 4.31Å; L338-L342 VanDerWaalsContact O-CB 3.32Å; L338-L342 WeakPolarHBondContact O-CB 3.34Å; L338-L342 WeakPolarHBondContact O-CG 3.43Å; L338-L342 PolarHBondContact O-N 3.17Å; L338-V351 HydrophobicContact CD1-CG1 3.8Å; L338-V351 HydrophobicContact CG-CG1 4.45Å; L338-A355 HydrophobicContact CD1-CB 3.47Å; L338-A355 VanDerWaalsContact CD1-CB 3.47Å |
| 339 | N | 58.4 | Low | 56.3 | Low | 4 Ų | 4 | 69.2 Ų | 69.2 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.9 | -26.3 | 174.8 | -85.3 | -45.7 | 0 | 0 | 0 | 111.6 | M328 V335 G336 R343 | M328-N339 PolarHBondContact O-OD1 2.84Å; V335-N339 VanDerWaalsContact CB-ND2 3.31Å; V335-N339 WeakPolarHBondContact CB-ND2 3.48Å; V335-N339 VanDerWaalsContact CG1-ND2 3.34Å; V335-N339 WeakPolarHBondContact CG1-ND2 3.28Å; V335-N339 PolarHBondContact O-ND2 3.38Å; V335-N339 VanDerWaalsContact O-ND2 3.17Å; G336-N339 PolarHBondContact O-N 2.95Å; N339-R343 WeakPolarHBondContact O-CB 3.42Å; N339-R343 WeakPolarHBondContact O-CG 3.34Å; N339-R343 PolarHBondContact O-N 2.93Å |
| 340 | L | 54.7 | Low | 55.4 | Low | 92 Ų | 92 | 70.4 Ų | 70.4 | 48% | 0.482 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.6 | -42.8 | 169 | -167.9 | 72.5 | 0 | 0 | 0 | 111.3 | P337 L338 R343 E344 | P337-L340 WeakPolarHBondContact O-CB 3.35Å; P337-L340 PolarHBondContact O-N 3.48Å; L338-L340 PolarHBondContact O-N 3.41Å; L340-R343 PolarHBondContact O-N 2.94Å; L340-E344 HydrophobicContact CD1-CG 4.36Å; L340-E344 HydrophobicContact CG-CG 4.34Å; L340-E344 VanDerWaalsContact O-CB 3.26Å; L340-E344 WeakPolarHBondContact O-CB 3Å; L340-E344 WeakPolarHBondContact O-CG 3.42Å; L340-E344 PolarHBondContact O-N 2.89Å |
| 341 | A | 56.4 | Low | 54.5 | Low | 3 Ų | 3 | 61.5 Ų | 61.5 | 3% | 0.025 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P337 L338 N345 L346 V351 L354 | P337-A341 PolarHBondContact O-N 2.86Å; L338-A341 PolarHBondContact O-N 2.69Å; L338-A341 VanDerWaalsContact O-N 3.16Å; A341-N345 PolarHBondContact O-N 3.18Å; A341-N345 VanDerWaalsContact O-N 3.08Å; A341-L346 HydrophobicContact CB-CD1 4.08Å; A341-L346 PolarHBondContact O-N 3.03Å; A341-L346 VanDerWaalsContact O-N 3.16Å; A341-V351 HydrophobicContact CB-CG2 4.2Å; A341-L354 HydrophobicContact CB-CD1 3.67Å |
| 342 | L | 54.8 | Low | 53.6 | Low | 30 Ų | 30 | 62.1 Ų | 62.1 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.8 | -33.8 | 173.6 | -72.2 | 167.6 | 0 | 0 | 0 | 111.9 | M328 L338 V351 | M328-L342 HydrophobicContact CB-CD1 4.2Å; M328-L342 HydrophobicContact CE-CD1 4.22Å; L338-L342 HydrophobicContact CD2-CD1 3.74Å; L338-L342 HydrophobicContact CG-CD1 3.96Å; L338-L342 HydrophobicContact CG-CG 4.31Å; L338-L342 VanDerWaalsContact O-CB 3.32Å; L338-L342 WeakPolarHBondContact O-CB 3.34Å; L338-L342 WeakPolarHBondContact O-CG 3.43Å; L338-L342 PolarHBondContact O-N 3.17Å; L342-V351 HydrophobicContact CD2-CG1 3.93Å; L342-V351 HydrophobicContact CG-CG1 4.15Å |
| 343 | R | 59 | Low | 52.8 | Low | 111 Ų | 111 | 60.8 Ų | 60.8 | 42% | 0.419 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -75.2 | -38.5 | 173.2 | -84.4 | -177.2 | 177.6 | -158.8 | 10.8 | 113.4 | L331 D333 N339 L340 N345 | L331-R343 PolarHBondContact O-NH2 3.26Å; D333-R343 VanDerWaalsContact CG-CZ 3.49Å; D333-R343 IonicContact OD1-CZ 2.74Å; D333-R343 IonicContact OD1-NE 2.7Å; D333-R343 IonicContact OD1-NH1 3.15Å; D333-R343 PolarHBondContact OD1-NH1 2.79Å; D333-R343 IonicContact OD1-NH2 3.26Å; D333-R343 IonicContact OD2-CZ 2.75Å; D333-R343 IonicContact OD2-NH1 3.08Å; D333-R343 PolarHBondContact OD2-NH1 3.34Å; D333-R343 IonicContact OD2-NH2 3.49Å; D333-R343 PolarHBondContact OD2-NH2 3.2Å; N339-R343 WeakPolarHBondContact O-CB 3.42Å; N339-R343 WeakPolarHBondContact O-CG 3.34Å; N339-R343 PolarHBondContact O-N 2.93Å; L340-R343 PolarHBondContact O-N 2.94Å; R343-N345 PolarHBondContact O-N 3.41Å |
| 344 | E | 55.2 | Low | 52.7 | Low | 90 Ų | 90 | 56.7 Ų | 56.7 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 3.4 | 177.1 | -65.7 | -64.7 | 161.7 | 0 | 0 | 112.3 | L340 L346 K1628 | L340-E344 HydrophobicContact CD1-CG 4.36Å; L340-E344 HydrophobicContact CG-CG 4.34Å; L340-E344 VanDerWaalsContact O-CB 3.26Å; L340-E344 WeakPolarHBondContact O-CB 3Å; L340-E344 WeakPolarHBondContact O-CG 3.42Å; L340-E344 PolarHBondContact O-N 2.89Å; E344-L346 VanDerWaalsContact C-N 3.25Å; E344-L346 PolarHBondContact O-N 2.87Å; E344-K1628 IonicContact OE2-NZ 3.47Å; E344-K1628 PolarHBondContact OE2-NZ 3.16Å |
| 345 | N | 50.7 | Low | 52.5 | Low | 144 Ų | 144 | 53.7 Ų | 53.7 | 77% | 0.77 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 37.3 | 165.6 | -137.7 | 21.5 | 0 | 0 | 0 | 112.5 | A341 R343 | A341-N345 PolarHBondContact O-N 3.18Å; A341-N345 VanDerWaalsContact O-N 3.08Å; R343-N345 PolarHBondContact O-N 3.41Å |
| 346 | L | 51.8 | Low | 52.2 | Low | 69 Ų | 69 | 57.7 Ų | 57.7 | 36% | 0.361 | 31% | 0.307 | S | S | . | . | trans | -64.5 | 146.2 | 176 | -65.9 | 169.8 | 0 | 0 | 0 | 109.1 | A341 E344 I350 V351 L354 | A341-L346 HydrophobicContact CB-CD1 4.08Å; A341-L346 PolarHBondContact O-N 3.03Å; A341-L346 VanDerWaalsContact O-N 3.16Å; E344-L346 VanDerWaalsContact C-N 3.25Å; E344-L346 PolarHBondContact O-N 2.87Å; L346-I350 HydrophobicContact CB-CB 4.27Å; L346-I350 HydrophobicContact CB-CG2 3.89Å; L346-I350 HydrophobicContact CD1-CG2 4.25Å; L346-I350 HydrophobicContact CD2-CG2 4.49Å; L346-I350 HydrophobicContact CG-CG2 4.43Å; L346-V351 HydrophobicContact CB-CG2 4.03Å; L346-V351 VanDerWaalsContact O-CG2 3.25Å; L346-V351 WeakPolarHBondContact O-CG2 2.92Å; L346-L354 HydrophobicContact CB-CD1 4.47Å; L346-L354 HydrophobicContact CD1-CD1 3.34Å | ||
| 347 | P | 47.4 | Very low | 51.8 | Low | 65 Ų | 65 | 59.5 Ų | 59.5 | 42% | 0.422 | 30% | 0.304 | S | S | . | . | trans | -46.7 | 141.6 | 175.5 | -27.8 | 33 | 0 | 0 | 0 | 112 | D349 I350 V351 | P347-D349 WeakPolarHBondContact CB-OD1 3.31Å; P347-D349 PolarHBondContact O-N 3.41Å; P347-I350 HydrophobicContact CB-CB 4.21Å; P347-I350 HydrophobicContact CB-CD1 4.33Å; P347-I350 HydrophobicContact CB-CG1 4.05Å; P347-I350 HydrophobicContact CG-CB 4.47Å; P347-I350 HydrophobicContact CG-CD1 3.85Å; P347-I350 HydrophobicContact CG-CG1 4.14Å; P347-I350 CarbonylContact O-C 3.59Å; P347-I350 VanDerWaalsContact O-CA 3.25Å; P347-I350 WeakPolarHBondContact O-CA 3.37Å; P347-I350 WeakPolarHBondContact O-CB 3.48Å; P347-I350 PolarHBondContact O-N 2.85Å; P347-V351 PolarHBondContact O-N 2.98Å | ||
| 348 | L | 49.2 | Very low | 51.7 | Low | 90 Ų | 90 | 60.1 Ų | 60.1 | 47% | 0.471 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.7 | -35.8 | -174.7 | -175.7 | 69 | 0 | 0 | 0 | 111.7 | V351 M352 | L348-V351 CarbonylContact O-C 3.53Å; L348-V351 PolarHBondContact O-N 2.98Å; L348-M352 HydrophobicContact CD1-CG 4.38Å; L348-M352 HydrophobicContact CG-CG 4.16Å; L348-M352 WeakPolarHBondContact O-CB 3.44Å; L348-M352 WeakPolarHBondContact O-CG 3.45Å; L348-M352 PolarHBondContact O-N 3.43Å |
| 349 | D | 43.7 | Very low | 51.3 | Low | 107 Ų | 107 | 64.1 Ų | 64.1 | 57% | 0.572 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -58.2 | -43.6 | 168.8 | 53.3 | -49.7 | 0 | 0 | 0 | 112 | P347 T353 | P347-D349 WeakPolarHBondContact CB-OD1 3.31Å; P347-D349 PolarHBondContact O-N 3.41Å; D349-T353 WeakPolarHBondContact O-CB 3.24Å; D349-T353 PolarHBondContact O-N 3.17Å; D349-T353 PolarHBondContact O-OG1 3.37Å |
| 350 | I | 49.5 | Very low | 50.7 | Low | 69 Ų | 69 | 68.6 Ų | 68.6 | 35% | 0.354 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.2 | -43.5 | 172.4 | -62.8 | -171.8 | 0 | 0 | 0 | 110.5 | L346 P347 M352 T353 L354 | L346-I350 HydrophobicContact CB-CB 4.27Å; L346-I350 HydrophobicContact CB-CG2 3.89Å; L346-I350 HydrophobicContact CD1-CG2 4.25Å; L346-I350 HydrophobicContact CD2-CG2 4.49Å; L346-I350 HydrophobicContact CG-CG2 4.43Å; P347-I350 HydrophobicContact CB-CB 4.21Å; P347-I350 HydrophobicContact CB-CD1 4.33Å; P347-I350 HydrophobicContact CB-CG1 4.05Å; P347-I350 HydrophobicContact CG-CB 4.47Å; P347-I350 HydrophobicContact CG-CD1 3.85Å; P347-I350 HydrophobicContact CG-CG1 4.14Å; P347-I350 CarbonylContact O-C 3.59Å; P347-I350 VanDerWaalsContact O-CA 3.25Å; P347-I350 WeakPolarHBondContact O-CA 3.37Å; P347-I350 WeakPolarHBondContact O-CB 3.48Å; P347-I350 PolarHBondContact O-N 2.85Å; I350-M352 VanDerWaalsContact C-N 3.34Å; I350-M352 PolarHBondContact O-N 3.01Å; I350-T353 CarbonylContact O-C 3.44Å; I350-T353 PolarHBondContact O-N 3.37Å; I350-L354 HydrophobicContact CG2-CD1 3.56Å; I350-L354 HydrophobicContact CG2-CG 3.92Å; I350-L354 WeakPolarHBondContact O-CB 2.81Å; I350-L354 WeakPolarHBondContact O-CD1 3.27Å; I350-L354 WeakPolarHBondContact O-CG 3.4Å; I350-L354 PolarHBondContact O-N 2.69Å |
| 351 | V | 55.5 | Low | 50.1 | Low | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 175.9 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | L338 A341 L342 L346 P347 L348 L354 A355 | L338-V351 HydrophobicContact CD1-CG1 3.8Å; L338-V351 HydrophobicContact CG-CG1 4.45Å; A341-V351 HydrophobicContact CB-CG2 4.2Å; L342-V351 HydrophobicContact CD2-CG1 3.93Å; L342-V351 HydrophobicContact CG-CG1 4.15Å; L346-V351 HydrophobicContact CB-CG2 4.03Å; L346-V351 VanDerWaalsContact O-CG2 3.25Å; L346-V351 WeakPolarHBondContact O-CG2 2.92Å; P347-V351 PolarHBondContact O-N 2.98Å; L348-V351 CarbonylContact O-C 3.53Å; L348-V351 PolarHBondContact O-N 2.98Å; V351-L354 CarbonylContact O-C 3.53Å; V351-L354 PolarHBondContact O-N 3.08Å; V351-A355 WeakPolarHBondContact O-CB 3.43Å; V351-A355 PolarHBondContact O-N 3.48Å |
| 352 | M | 52 | Low | 49.8 | Very low | 15 Ų | 15 | 68.5 Ų | 68.5 | 7% | 0.074 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.2 | -38.4 | 175.8 | -73.8 | -65.1 | -77.2 | 0 | 0 | 111.6 | L315 E318 L348 I350 A355 K356 | L315-M352 HydrophobicContact CB-SD 3.81Å; L315-M352 HydrophobicContact CD2-SD 3.86Å; L315-M352 HydrophobicContact CG-SD 4.34Å; L315-M352 WeakPolarHBondContact O-CE 3.18Å; L315-M352 VanDerWaalsContact O-SD 3.41Å; E318-M352 HydrophobicContact CG-CE 4.11Å; E318-M352 WeakPolarHBondContact OE1-CE 3.48Å; L348-M352 HydrophobicContact CD1-CG 4.38Å; L348-M352 HydrophobicContact CG-CG 4.16Å; L348-M352 WeakPolarHBondContact O-CB 3.44Å; L348-M352 WeakPolarHBondContact O-CG 3.45Å; L348-M352 PolarHBondContact O-N 3.43Å; I350-M352 VanDerWaalsContact C-N 3.34Å; I350-M352 PolarHBondContact O-N 3.01Å; M352-A355 PolarHBondContact O-N 3.37Å; M352-K356 WeakPolarHBondContact O-CB 3.23Å; M352-K356 VanDerWaalsContact O-CG 3.26Å; M352-K356 WeakPolarHBondContact O-CG 3.48Å; M352-K356 PolarHBondContact O-N 3.11Å; M352-K356 VanDerWaalsContact O-N 3.13Å |
| 353 | T | 46.6 | Very low | 49.4 | Very low | 56 Ų | 56 | 68 Ų | 68 | 34% | 0.344 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.1 | -35.2 | 173.7 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | D349 I350 R357 | D349-T353 WeakPolarHBondContact O-CB 3.24Å; D349-T353 PolarHBondContact O-N 3.17Å; D349-T353 PolarHBondContact O-OG1 3.37Å; I350-T353 CarbonylContact O-C 3.44Å; I350-T353 PolarHBondContact O-N 3.37Å; T353-R357 VanDerWaalsContact O-CB 3.23Å; T353-R357 WeakPolarHBondContact O-CB 3.39Å; T353-R357 VanDerWaalsContact O-CD 3.3Å; T353-R357 WeakPolarHBondContact O-CD 3.11Å; T353-R357 WeakPolarHBondContact O-CG 3.38Å |
| 354 | L | 52.2 | Low | 48.8 | Very low | 26 Ų | 26 | 68.1 Ų | 68.1 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -75.7 | -27.3 | 175.9 | -71 | 171.4 | 0 | 0 | 0 | 112.4 | A341 L346 I350 V351 W359 I362 | A341-L354 HydrophobicContact CB-CD1 3.67Å; L346-L354 HydrophobicContact CB-CD1 4.47Å; L346-L354 HydrophobicContact CD1-CD1 3.34Å; I350-L354 HydrophobicContact CG2-CD1 3.56Å; I350-L354 HydrophobicContact CG2-CG 3.92Å; I350-L354 WeakPolarHBondContact O-CB 2.81Å; I350-L354 WeakPolarHBondContact O-CD1 3.27Å; I350-L354 WeakPolarHBondContact O-CG 3.4Å; I350-L354 PolarHBondContact O-N 2.69Å; V351-L354 CarbonylContact O-C 3.53Å; V351-L354 PolarHBondContact O-N 3.08Å; L354-W359 HydrophobicContact CD2-CH2 4.5Å; L354-W359 HydrophobicContact CD2-CZ3 4.03Å; L354-I362 VanDerWaalsContact CA-CD1 3.5Å; L354-I362 HydrophobicContact CB-CD1 4.19Å; L354-I362 HydrophobicContact CD2-CB 4.06Å; L354-I362 HydrophobicContact CD2-CD1 3.76Å; L354-I362 HydrophobicContact CD2-CG1 3.8Å; L354-I362 HydrophobicContact CD2-CG2 3.16Å; L354-I362 WeakPolarHBondContact O-CD1 3.3Å |
| 355 | A | 51.1 | Low | 48.2 | Very low | 16 Ų | 16 | 67.3 Ų | 67.3 | 13% | 0.132 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -78 | -36.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | L312 L315 L338 V351 M352 | L312-A355 WeakPolarHBondContact CD2-O 3.23Å; L315-A355 HydrophobicContact CD1-CB 3.15Å; L315-A355 HydrophobicContact CG-CB 4.49Å; L338-A355 HydrophobicContact CD1-CB 3.47Å; L338-A355 VanDerWaalsContact CD1-CB 3.47Å; V351-A355 WeakPolarHBondContact O-CB 3.43Å; V351-A355 PolarHBondContact O-N 3.48Å; M352-A355 PolarHBondContact O-N 3.37Å |
| 356 | K | 48.6 | Very low | 48 | Very low | 124 Ų | 124 | 64.7 Ų | 64.7 | 54% | 0.539 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -92.3 | -2.3 | -173.4 | -69 | -178.8 | 179.9 | -160.4 | 0 | 113.6 | D316 M352 | D316-K356 WeakPolarHBondContact OD1-CE 3.49Å; D316-K356 IonicContact OD1-NZ 2.76Å; D316-K356 PolarHBondContact OD1-NZ 3.43Å; M352-K356 WeakPolarHBondContact O-CB 3.23Å; M352-K356 VanDerWaalsContact O-CG 3.26Å; M352-K356 WeakPolarHBondContact O-CG 3.48Å; M352-K356 PolarHBondContact O-N 3.11Å; M352-K356 VanDerWaalsContact O-N 3.13Å |
| 357 | R | 46.5 | Very low | 47.9 | Very low | 68 Ų | 68 | 62.9 Ų | 62.9 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -118.1 | 143.5 | -173.1 | -69.4 | -174.4 | 169.7 | 173.5 | -9.9 | 111.2 | T353 M361 I362 E365 | T353-R357 VanDerWaalsContact O-CB 3.23Å; T353-R357 WeakPolarHBondContact O-CB 3.39Å; T353-R357 VanDerWaalsContact O-CD 3.3Å; T353-R357 WeakPolarHBondContact O-CD 3.11Å; T353-R357 WeakPolarHBondContact O-CG 3.38Å; R357-M361 HydrophobicContact CB-CE 3.86Å; R357-M361 HydrophobicContact CG-CE 3.42Å; R357-M361 VanDerWaalsContact CG-CE 3.42Å; R357-I362 HydrophobicContact CB-CD1 3.78Å; R357-I362 HydrophobicContact CB-CG1 3.61Å; R357-I362 WeakPolarHBondContact O-CD1 3.49Å; R357-E365 VanDerWaalsContact CZ-CD 3.42Å; R357-E365 IonicContact CZ-OE1 2.7Å; R357-E365 IonicContact CZ-OE2 2.72Å; R357-E365 IonicContact NH1-OE1 2.72Å; R357-E365 PolarHBondContact NH1-OE1 3.46Å; R357-E365 IonicContact NH1-OE2 3.51Å; R357-E365 PolarHBondContact NH1-OE2 3.19Å; R357-E365 VanDerWaalsContact NH2-CD 3.26Å; R357-E365 IonicContact NH2-OE1 3.18Å; R357-E365 PolarHBondContact NH2-OE1 3.24Å; R357-E365 IonicContact NH2-OE2 2.81Å; R357-E365 PolarHBondContact NH2-OE2 3.45Å |
| 358 | D | 47.2 | Very low | 47.6 | Very low | 62 Ų | 62 | 67.1 Ų | 67.1 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | trans | -54.6 | 139.7 | 169.7 | -137.9 | -38.8 | 0 | 0 | 0 | 109.2 | K177 D360 M361 I362 | K177-D358 IonicContact NZ-OD2 3.9Å; K177-D358 PolarHBondContact NZ-OD2 2.76Å; D358-D360 PolarHBondContact O-N 3.17Å; D358-D360 VanDerWaalsContact O-N 3.17Å; D358-M361 HydrophobicContact CB-CB 4.1Å; D358-M361 WeakPolarHBondContact O-CA 3.46Å; D358-M361 WeakPolarHBondContact O-CB 3.08Å; D358-M361 PolarHBondContact O-N 2.94Å; D358-I362 PolarHBondContact O-N 2.9Å; D358-I362 VanDerWaalsContact O-N 3.07Å | ||
| 359 | W | 46.6 | Very low | 47.3 | Very low | 103 Ų | 103 | 69.8 Ų | 69.8 | 39% | 0.39 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.1 | -33.2 | -176.1 | -148.5 | -138.1 | 0 | 0 | 0 | 110.4 | P337 L354 M361 I362 I363 | P337-W359 HydrophobicContact CB-CD2 3.91Å; P337-W359 HydrophobicContact CB-CE3 3.82Å; P337-W359 HydrophobicContact CB-CH2 3.39Å; P337-W359 HydrophobicContact CB-CZ2 3.38Å; P337-W359 HydrophobicContact CB-CZ3 3.59Å; P337-W359 HydrophobicContact CG-CD2 4.11Å; P337-W359 HydrophobicContact CG-CE3 4.07Å; P337-W359 HydrophobicContact CG-CH2 4.48Å; P337-W359 HydrophobicContact CG-CZ2 4.44Å; P337-W359 HydrophobicContact CG-CZ3 4.27Å; L354-W359 HydrophobicContact CD2-CH2 4.5Å; L354-W359 HydrophobicContact CD2-CZ3 4.03Å; W359-M361 PolarHBondContact O-N 3.4Å; W359-I362 HydrophobicContact CE3-CB 4.33Å; W359-I362 HydrophobicContact CE3-CD1 3.42Å; W359-I362 VanDerWaalsContact CE3-CD1 3.42Å; W359-I362 HydrophobicContact CE3-CG1 4.49Å; W359-I362 HydrophobicContact CE3-CG2 4.27Å; W359-I362 HydrophobicContact CZ3-CD1 3.61Å; W359-I362 HydrophobicContact CZ3-CG2 4.04Å; W359-I362 PolarHBondContact O-N 3.21Å; W359-I363 WeakPolarHBondContact O-CB 3.5Å; W359-I363 WeakPolarHBondContact O-CD1 3.04Å; W359-I363 VanDerWaalsContact O-CG1 3.22Å; W359-I363 WeakPolarHBondContact O-CG1 3.45Å; W359-I363 PolarHBondContact O-N 2.95Å |
| 360 | D | 46.2 | Very low | 47.3 | Very low | 97 Ų | 97 | 65.4 Ų | 65.4 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.4 | -34.4 | 171.4 | -69 | -19.3 | 0 | 0 | 0 | 113.3 | D358 I363 Q364 | D358-D360 PolarHBondContact O-N 3.17Å; D358-D360 VanDerWaalsContact O-N 3.17Å; D360-I363 WeakPolarHBondContact O-CB 3.37Å; D360-Q364 WeakPolarHBondContact O-CG 3.35Å; D360-Q364 PolarHBondContact O-N 3.14Å |
| 361 | M | 42.9 | Very low | 47.1 | Very low | 86 Ų | 86 | 67.8 Ų | 67.8 | 42% | 0.424 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -80.3 | -27.9 | -178.8 | -149.3 | 171.6 | 71.8 | 0 | 0 | 112.4 | R357 D358 W359 E365 | R357-M361 HydrophobicContact CB-CE 3.86Å; R357-M361 HydrophobicContact CG-CE 3.42Å; R357-M361 VanDerWaalsContact CG-CE 3.42Å; D358-M361 HydrophobicContact CB-CB 4.1Å; D358-M361 WeakPolarHBondContact O-CA 3.46Å; D358-M361 WeakPolarHBondContact O-CB 3.08Å; D358-M361 PolarHBondContact O-N 2.94Å; W359-M361 PolarHBondContact O-N 3.4Å; M361-E365 PolarHBondContact O-N 2.83Å |
| 362 | I | 48.5 | Very low | 46.8 | Very low | 7 Ų | 7 | 68.3 Ų | 68.3 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.5 | -43.5 | 172.2 | -73.9 | 158 | 0 | 0 | 0 | 111 | L354 R357 D358 W359 E365 L366 | L354-I362 VanDerWaalsContact CA-CD1 3.5Å; L354-I362 HydrophobicContact CB-CD1 4.19Å; L354-I362 HydrophobicContact CD2-CB 4.06Å; L354-I362 HydrophobicContact CD2-CD1 3.76Å; L354-I362 HydrophobicContact CD2-CG1 3.8Å; L354-I362 HydrophobicContact CD2-CG2 3.16Å; L354-I362 WeakPolarHBondContact O-CD1 3.3Å; R357-I362 HydrophobicContact CB-CD1 3.78Å; R357-I362 HydrophobicContact CB-CG1 3.61Å; R357-I362 WeakPolarHBondContact O-CD1 3.49Å; D358-I362 PolarHBondContact O-N 2.9Å; D358-I362 VanDerWaalsContact O-N 3.07Å; W359-I362 HydrophobicContact CE3-CB 4.33Å; W359-I362 HydrophobicContact CE3-CD1 3.42Å; W359-I362 VanDerWaalsContact CE3-CD1 3.42Å; W359-I362 HydrophobicContact CE3-CG1 4.49Å; W359-I362 HydrophobicContact CE3-CG2 4.27Å; W359-I362 HydrophobicContact CZ3-CD1 3.61Å; W359-I362 HydrophobicContact CZ3-CG2 4.04Å; W359-I362 PolarHBondContact O-N 3.21Å; I362-E365 PolarHBondContact O-N 3Å; I362-L366 HydrophobicContact CG2-CD1 4.03Å; I362-L366 WeakPolarHBondContact O-CB 3.47Å; I362-L366 WeakPolarHBondContact O-CG 3.42Å; I362-L366 PolarHBondContact O-N 3.49Å |
| 363 | I | 48 | Very low | 46.7 | Very low | 20 Ų | 20 | 68.3 Ų | 68.3 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -52.5 | -55.9 | 167.4 | -83.2 | 176.5 | 0 | 0 | 0 | 107.7 | W359 D360 E365 L366 Y367 E375 | W359-I363 WeakPolarHBondContact O-CB 3.5Å; W359-I363 WeakPolarHBondContact O-CD1 3.04Å; W359-I363 VanDerWaalsContact O-CG1 3.22Å; W359-I363 WeakPolarHBondContact O-CG1 3.45Å; W359-I363 PolarHBondContact O-N 2.95Å; D360-I363 WeakPolarHBondContact O-CB 3.37Å; I363-E365 VanDerWaalsContact C-N 3.35Å; I363-E365 PolarHBondContact O-N 3.07Å; I363-L366 CarbonylContact O-C 3.59Å; I363-L366 PolarHBondContact O-N 3.15Å; I363-L366 VanDerWaalsContact O-N 3.15Å; I363-Y367 VanDerWaalsContact C-CE2 3.44Å; I363-Y367 HydrophobicContact CB-CE2 4.02Å; I363-Y367 HydrophobicContact CG2-CD2 4Å; I363-Y367 HydrophobicContact CG2-CE2 3.34Å; I363-Y367 WeakPolarHBondContact O-CD2 3.49Å; I363-Y367 WeakPolarHBondContact O-CE2 3.4Å; I363-Y367 PolarHBondContact O-N 3.09Å; I363-E375 VanDerWaalsContact CG2-OE1 3.26Å; I363-E375 WeakPolarHBondContact CG2-OE1 3.39Å |
| 364 | Q | 46.1 | Very low | 47 | Very low | 114 Ų | 114 | 66.8 Ų | 66.8 | 53% | 0.533 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.4 | -34.8 | 174.9 | -77.7 | -173.3 | 6.2 | 0 | 0 | 116.2 | D360 Y367 K368 | D360-Q364 WeakPolarHBondContact O-CG 3.35Å; D360-Q364 PolarHBondContact O-N 3.14Å; Q364-Y367 WeakPolarHBondContact O-CB 3.48Å; Q364-Y367 PolarHBondContact O-N 3.45Å; Q364-K368 PolarHBondContact O-N 2.88Å |
| 365 | E | 42.9 | Very low | 46.9 | Very low | 73 Ų | 73 | 70.3 Ų | 70.3 | 34% | 0.341 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -80.4 | -34.9 | 175.4 | -79 | -143.9 | 177.1 | 0 | 0 | 113.8 | R357 M361 I362 I363 Y367 K368 | R357-E365 VanDerWaalsContact CZ-CD 3.42Å; R357-E365 IonicContact CZ-OE1 2.7Å; R357-E365 IonicContact CZ-OE2 2.72Å; R357-E365 IonicContact NH1-OE1 2.72Å; R357-E365 PolarHBondContact NH1-OE1 3.46Å; R357-E365 IonicContact NH1-OE2 3.51Å; R357-E365 PolarHBondContact NH1-OE2 3.19Å; R357-E365 VanDerWaalsContact NH2-CD 3.26Å; R357-E365 IonicContact NH2-OE1 3.18Å; R357-E365 PolarHBondContact NH2-OE1 3.24Å; R357-E365 IonicContact NH2-OE2 2.81Å; R357-E365 PolarHBondContact NH2-OE2 3.45Å; M361-E365 PolarHBondContact O-N 2.83Å; I362-E365 PolarHBondContact O-N 3Å; I363-E365 VanDerWaalsContact C-N 3.35Å; I363-E365 PolarHBondContact O-N 3.07Å; E365-Y367 PolarHBondContact O-N 2.93Å; E365-K368 HydrophobicContact CG-CD 4.4Å; E365-K368 WeakPolarHBondContact O-CB 3.48Å; E365-K368 PolarHBondContact O-N 3.32Å; E365-K368 VanDerWaalsContact O-N 3.14Å |
| 366 | L | 46.1 | Very low | 47 | Very low | 88 Ų | 88 | 71.3 Ų | 71.3 | 46% | 0.461 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.7 | -28.8 | 166.2 | -75 | 162.7 | 0 | 0 | 0 | 110.9 | I362 I363 A370 I382 | I362-L366 HydrophobicContact CG2-CD1 4.03Å; I362-L366 WeakPolarHBondContact O-CB 3.47Å; I362-L366 WeakPolarHBondContact O-CG 3.42Å; I362-L366 PolarHBondContact O-N 3.49Å; I363-L366 CarbonylContact O-C 3.59Å; I363-L366 PolarHBondContact O-N 3.15Å; I363-L366 VanDerWaalsContact O-N 3.15Å; L366-A370 WeakPolarHBondContact O-CB 3.3Å; L366-I382 HydrophobicContact CD1-CD1 4.38Å |
| 367 | Y | 49.5 | Very low | 47.4 | Very low | 32 Ų | 32 | 65.6 Ų | 65.6 | 13% | 0.125 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.6 | -34 | 170.1 | -71.7 | -57.3 | 0 | 0 | 0 | 114.9 | I363 Q364 E365 D369 A370 E375 I378 D379 | I363-Y367 VanDerWaalsContact C-CE2 3.44Å; I363-Y367 HydrophobicContact CB-CE2 4.02Å; I363-Y367 HydrophobicContact CG2-CD2 4Å; I363-Y367 HydrophobicContact CG2-CE2 3.34Å; I363-Y367 WeakPolarHBondContact O-CD2 3.49Å; I363-Y367 WeakPolarHBondContact O-CE2 3.4Å; I363-Y367 PolarHBondContact O-N 3.09Å; Q364-Y367 WeakPolarHBondContact O-CB 3.48Å; Q364-Y367 PolarHBondContact O-N 3.45Å; E365-Y367 PolarHBondContact O-N 2.93Å; Y367-D369 PolarHBondContact O-N 2.98Å; Y367-A370 PolarHBondContact O-N 2.87Å; Y367-E375 HydrophobicContact CD1-CG 4.04Å; Y367-E375 HydrophobicContact CD2-CG 3.44Å; Y367-E375 VanDerWaalsContact CD2-CG 3.44Å; Y367-E375 WeakPolarHBondContact CD2-OE1 3.16Å; Y367-E375 HydrophobicContact CE1-CB 4.06Å; Y367-E375 HydrophobicContact CE1-CG 3.59Å; Y367-E375 HydrophobicContact CE2-CB 4.18Å; Y367-E375 HydrophobicContact CE2-CG 2.93Å; Y367-E375 VanDerWaalsContact CE2-OE1 3.28Å; Y367-E375 WeakPolarHBondContact CE2-OE1 3.37Å; Y367-E375 HydrophobicContact CG-CG 4.05Å; Y367-E375 VanDerWaalsContact OH-C 3.3Å; Y367-E375 WeakPolarHBondContact OH-CA 3.12Å; Y367-E375 VanDerWaalsContact OH-CG 3.32Å; Y367-E375 WeakPolarHBondContact OH-CG 3.06Å; Y367-E375 PolarHBondContact OH-O 2.84Å; Y367-I378 HydrophobicContact CD1-CD1 3.6Å; Y367-I378 HydrophobicContact CD1-CG1 4.26Å; Y367-I378 HydrophobicContact CE1-CB 3.47Å; Y367-I378 VanDerWaalsContact CE1-CB 3.47Å; Y367-I378 HydrophobicContact CE1-CD1 3.39Å; Y367-I378 HydrophobicContact CE1-CG1 3.57Å; Y367-I378 HydrophobicContact CE1-CG2 4.03Å; Y367-D379 PolarHBondContact OH-OD1 3.43Å |
| 368 | K | 41.2 | Very low | 48 | Very low | 153 Ų | 153 | 62.9 Ų | 62.9 | 67% | 0.665 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.1 | -33.6 | 177.9 | -91.8 | 178.9 | 176.9 | 168.4 | 0 | 112.8 | Q364 E365 | Q364-K368 PolarHBondContact O-N 2.88Å; E365-K368 HydrophobicContact CG-CD 4.4Å; E365-K368 WeakPolarHBondContact O-CB 3.48Å; E365-K368 PolarHBondContact O-N 3.32Å; E365-K368 VanDerWaalsContact O-N 3.14Å |
| 369 | D | 41.6 | Very low | 48.4 | Very low | 146 Ų | 146 | 61.5 Ų | 61.5 | 78% | 0.781 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -92.3 | -11.7 | -178.5 | -70.5 | -25.3 | 0 | 0 | 0 | 113.8 | Y367 | Y367-D369 PolarHBondContact O-N 2.98Å |
| 370 | A | 44 | Very low | 48.8 | Very low | 16 Ų | 16 | 56.8 Ų | 56.8 | 13% | 0.132 | 28% | 0.281 | C | S | . | . | trans | -116.4 | 41.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L366 Y367 L372 L373 I378 | L366-A370 WeakPolarHBondContact O-CB 3.3Å; Y367-A370 PolarHBondContact O-N 2.87Å; A370-L372 PolarHBondContact O-N 2.96Å; A370-L373 PolarHBondContact O-N 2.84Å; A370-I378 HydrophobicContact CB-CD1 3.22Å | ||
| 371 | W | 46.2 | Very low | 49.6 | Very low | 119 Ų | 119 | 52.4 Ų | 52.4 | 45% | 0.451 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 9.3 | -170.5 | 60.4 | -77.6 | 0 | 0 | 0 | 119 | L740 | W371-L740 HydrophobicContact CD2-CD2 3.47Å; W371-L740 VanDerWaalsContact CD2-CD2 3.47Å; W371-L740 HydrophobicContact CE3-CB 4.25Å; W371-L740 HydrophobicContact CE3-CD2 3.44Å; W371-L740 VanDerWaalsContact CE3-CD2 3.44Å; W371-L740 HydrophobicContact CE3-CG 4.45Å; W371-L740 HydrophobicContact CG-CD2 4.05Å; W371-L740 VanDerWaalsContact CH2-CA 3.45Å; W371-L740 HydrophobicContact CH2-CB 4.32Å; W371-L740 HydrophobicContact CH2-CD2 4.17Å; W371-L740 WeakPolarHBondContact CH2-O 3.41Å; W371-L740 HydrophobicContact CZ2-CD2 4.15Å; W371-L740 VanDerWaalsContact CZ3-C 3.45Å; W371-L740 HydrophobicContact CZ3-CB 3.95Å; W371-L740 HydrophobicContact CZ3-CD2 3.86Å; W371-L740 WeakPolarHBondContact CZ3-O 3.09Å |
| 372 | L | 47.8 | Very low | 50.2 | Low | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.068 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | -11.5 | -176.3 | -71.5 | 156.9 | 0 | 0 | 0 | 114.1 | A370 G396 Q397 L431 | A370-L372 PolarHBondContact O-N 2.96Å; L372-G396 WeakPolarHBondContact CB-O 3.46Å; L372-G396 WeakPolarHBondContact CD1-O 3.33Å; L372-G396 WeakPolarHBondContact CG-O 3.32Å; L372-Q397 HydrophobicContact CD1-CG 4.08Å; L372-L431 HydrophobicContact CD2-CB 4.12Å; L372-L431 HydrophobicContact CD2-CD1 3.64Å; L372-L431 HydrophobicContact CD2-CD2 3.18Å; L372-L431 HydrophobicContact CD2-CG 3.78Å |
| 373 | L | 50.9 | Low | 50.5 | Low | 15 Ų | 15 | 58.6 Ų | 58.6 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -118 | 140 | 178.3 | -65.9 | 171 | 0 | 0 | 0 | 110.4 | A370 I377 I378 Y381 L398 L432 | A370-L373 PolarHBondContact O-N 2.84Å; L373-I377 HydrophobicContact CB-CG2 4.28Å; L373-I377 HydrophobicContact CD1-CG2 4.3Å; L373-I377 HydrophobicContact CD2-CG2 4.32Å; L373-I378 HydrophobicContact CB-CD1 4.49Å; L373-I378 HydrophobicContact CB-CG1 4.23Å; L373-Y381 HydrophobicContact CD1-CE2 3.93Å; L373-L398 HydrophobicContact CD2-CB 4.3Å; L373-L398 HydrophobicContact CD2-CD1 3.75Å; L373-L432 HydrophobicContact CD2-CD2 4.13Å |
| 374 | P | 52.1 | Low | 50.8 | Low | 24 Ų | 24 | 57.7 Ų | 57.7 | 16% | 0.156 | 28% | 0.276 | C | S | . | . | trans | -68.7 | 162.3 | -179.2 | -8.1 | 22.2 | 0 | 0 | 0 | 112.8 | S376 I377 I378 K421 E424 | P374-S376 VanDerWaalsContact C-N 3.31Å; P374-S376 PolarHBondContact O-N 3.17Å; P374-I377 PolarHBondContact O-N 2.75Å; P374-I378 PolarHBondContact O-N 2.99Å; P374-K421 HydrophobicContact CG-CB 4.11Å; P374-K421 HydrophobicContact CG-CD 3.31Å; P374-K421 HydrophobicContact CG-CG 3.91Å; P374-K421 VanDerWaalsContact CG-NZ 3.31Å; P374-E424 WeakPolarHBondContact CG-OE2 3.23Å | ||
| 375 | E | 50.6 | Low | 51.1 | Low | 101 Ų | 101 | 58 Ų | 58 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -39.1 | -57.9 | 171.8 | -122.5 | 171.9 | 173.3 | 0 | 0 | 114.4 | I363 Y367 I377 I378 D379 | I363-E375 VanDerWaalsContact CG2-OE1 3.26Å; I363-E375 WeakPolarHBondContact CG2-OE1 3.39Å; Y367-E375 HydrophobicContact CD1-CG 4.04Å; Y367-E375 HydrophobicContact CD2-CG 3.44Å; Y367-E375 VanDerWaalsContact CD2-CG 3.44Å; Y367-E375 WeakPolarHBondContact CD2-OE1 3.16Å; Y367-E375 HydrophobicContact CE1-CB 4.06Å; Y367-E375 HydrophobicContact CE1-CG 3.59Å; Y367-E375 HydrophobicContact CE2-CB 4.18Å; Y367-E375 HydrophobicContact CE2-CG 2.93Å; Y367-E375 VanDerWaalsContact CE2-OE1 3.28Å; Y367-E375 WeakPolarHBondContact CE2-OE1 3.37Å; Y367-E375 HydrophobicContact CG-CG 4.05Å; Y367-E375 VanDerWaalsContact OH-C 3.3Å; Y367-E375 WeakPolarHBondContact OH-CA 3.12Å; Y367-E375 VanDerWaalsContact OH-CG 3.32Å; Y367-E375 WeakPolarHBondContact OH-CG 3.06Å; Y367-E375 PolarHBondContact OH-O 2.84Å; E375-I377 VanDerWaalsContact C-N 3.28Å; E375-I377 PolarHBondContact O-N 2.88Å; E375-I377 VanDerWaalsContact O-N 3.16Å; E375-I378 PolarHBondContact O-N 2.84Å; E375-D379 PolarHBondContact O-N 3.25Å |
| 376 | S | 53.4 | Low | 51.5 | Low | 37 Ų | 37 | 57.9 Ų | 57.9 | 26% | 0.259 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.4 | -34.8 | -176.9 | 64.5 | 0 | 0 | 0 | 0 | 113.8 | P374 G380 S417 | P374-S376 VanDerWaalsContact C-N 3.31Å; P374-S376 PolarHBondContact O-N 3.17Å; S376-G380 PolarHBondContact O-N 3.07Å; S376-S417 WeakPolarHBondContact CB-OG 3.21Å; S376-S417 WeakPolarHBondContact O-CB 3.27Å; S376-S417 PolarHBondContact O-OG 3.1Å |
| 377 | I | 57.4 | Low | 51.9 | Low | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -76.3 | -36.6 | -179.1 | -74.2 | -158.6 | 0 | 0 | 0 | 111.4 | L373 P374 E375 G380 Y381 L398 S417 K421 | L373-I377 HydrophobicContact CB-CG2 4.28Å; L373-I377 HydrophobicContact CD1-CG2 4.3Å; L373-I377 HydrophobicContact CD2-CG2 4.32Å; P374-I377 PolarHBondContact O-N 2.75Å; E375-I377 VanDerWaalsContact C-N 3.28Å; E375-I377 PolarHBondContact O-N 2.88Å; E375-I377 VanDerWaalsContact O-N 3.16Å; I377-G380 CarbonylContact O-C 3.31Å; I377-G380 PolarHBondContact O-N 3.02Å; I377-Y381 HydrophobicContact CG2-CD2 3.48Å; I377-Y381 VanDerWaalsContact CG2-CD2 3.48Å; I377-Y381 HydrophobicContact CG2-CE2 3.29Å; I377-Y381 WeakPolarHBondContact O-CD2 3.3Å; I377-Y381 PolarHBondContact O-N 3.23Å; I377-L398 HydrophobicContact CD1-CD1 4.03Å; I377-L398 HydrophobicContact CG2-CD1 4.17Å; I377-S417 WeakPolarHBondContact CG1-O 3.37Å; I377-K421 HydrophobicContact CD1-CB 3.28Å; I377-K421 HydrophobicContact CD1-CG 3.8Å; I377-K421 HydrophobicContact CG1-CB 4.19Å |
| 378 | I | 58.7 | Low | 52 | Low | 11 Ų | 11 | 57.9 Ų | 57.9 | 6% | 0.056 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.2 | -42 | 176.5 | -54.8 | -163 | 0 | 0 | 0 | 110.1 | Y367 A370 L373 P374 E375 G380 Y381 I382 | Y367-I378 HydrophobicContact CD1-CD1 3.6Å; Y367-I378 HydrophobicContact CD1-CG1 4.26Å; Y367-I378 HydrophobicContact CE1-CB 3.47Å; Y367-I378 VanDerWaalsContact CE1-CB 3.47Å; Y367-I378 HydrophobicContact CE1-CD1 3.39Å; Y367-I378 HydrophobicContact CE1-CG1 3.57Å; Y367-I378 HydrophobicContact CE1-CG2 4.03Å; A370-I378 HydrophobicContact CB-CD1 3.22Å; L373-I378 HydrophobicContact CB-CD1 4.49Å; L373-I378 HydrophobicContact CB-CG1 4.23Å; P374-I378 PolarHBondContact O-N 2.99Å; E375-I378 PolarHBondContact O-N 2.84Å; I378-G380 VanDerWaalsContact C-N 3.26Å; I378-G380 PolarHBondContact O-N 2.97Å; I378-Y381 WeakPolarHBondContact O-CB 3.28Å; I378-Y381 PolarHBondContact O-N 3.4Å; I378-Y381 VanDerWaalsContact O-N 3.13Å; I378-I382 HydrophobicContact CG2-CD1 3.83Å; I378-I382 HydrophobicContact CG2-CG1 4.36Å; I378-I382 WeakPolarHBondContact O-CB 3.4Å; I378-I382 VanDerWaalsContact O-CG1 3.3Å; I378-I382 WeakPolarHBondContact O-CG1 3.48Å; I378-I382 PolarHBondContact O-N 3.38Å |
| 379 | D | 56.1 | Low | 52.7 | Low | 34 Ų | 34 | 50.9 Ų | 50.9 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.8 | -41.3 | 170 | -99.2 | 20.4 | 0 | 0 | 0 | 111.8 | Y367 E375 I382 R383 | Y367-D379 PolarHBondContact OH-OD1 3.43Å; E375-D379 PolarHBondContact O-N 3.25Å; D379-I382 PolarHBondContact O-N 2.97Å; D379-R383 VanDerWaalsContact O-CB 3.26Å; D379-R383 WeakPolarHBondContact O-CB 3.26Å; D379-R383 VanDerWaalsContact O-CG 3.29Å; D379-R383 WeakPolarHBondContact O-CG 3.38Å; D379-R383 PolarHBondContact O-N 3.38Å; D379-R383 IonicContact OD2-CZ 2.61Å; D379-R383 IonicContact OD2-NH1 3.73Å; D379-R383 IonicContact OD2-NH2 3.34Å; D379-R383 PolarHBondContact OD2-NH2 3.41Å |
| 380 | G | 54.9 | Low | 53.4 | Low | 4 Ų | 4 | 49.7 Ų | 49.7 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | S376 I377 I378 S384 V414 | S376-G380 PolarHBondContact O-N 3.07Å; I377-G380 CarbonylContact O-C 3.31Å; I377-G380 PolarHBondContact O-N 3.02Å; I378-G380 VanDerWaalsContact C-N 3.26Å; I378-G380 PolarHBondContact O-N 2.97Å; G380-S384 VanDerWaalsContact O-CB 3.26Å; G380-S384 WeakPolarHBondContact O-CB 3.42Å; G380-S384 PolarHBondContact O-N 2.93Å; G380-V414 WeakPolarHBondContact O-CG2 3.43Å |
| 381 | Y | 63 | Low | 53.9 | Low | 5 Ų | 5 | 55 Ų | 55 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 173.9 | -83.3 | -60.8 | 0 | 0 | 0 | 111.1 | L373 I377 I378 I389 R390 V392 L398 L406 | L373-Y381 HydrophobicContact CD1-CE2 3.93Å; I377-Y381 HydrophobicContact CG2-CD2 3.48Å; I377-Y381 VanDerWaalsContact CG2-CD2 3.48Å; I377-Y381 HydrophobicContact CG2-CE2 3.29Å; I377-Y381 WeakPolarHBondContact O-CD2 3.3Å; I377-Y381 PolarHBondContact O-N 3.23Å; I378-Y381 WeakPolarHBondContact O-CB 3.28Å; I378-Y381 PolarHBondContact O-N 3.4Å; I378-Y381 VanDerWaalsContact O-N 3.13Å; Y381-I389 HydrophobicContact CD1-CB 4.46Å; Y381-I389 HydrophobicContact CD1-CG2 3.42Å; Y381-I389 VanDerWaalsContact CD1-CG2 3.42Å; Y381-I389 WeakPolarHBondContact CD1-O 3.21Å; Y381-I389 HydrophobicContact CE1-CG2 3.78Å; Y381-I389 HydrophobicContact CG-CG2 4.47Å; Y381-R390 VanDerWaalsContact O-CA 3.26Å; Y381-R390 WeakPolarHBondContact O-CA 3.19Å; Y381-R390 WeakPolarHBondContact O-CG 2.76Å; Y381-V392 HydrophobicContact CD1-CB 4.34Å; Y381-V392 HydrophobicContact CE1-CB 3.76Å; Y381-V392 HydrophobicContact CE1-CG1 3.96Å; Y381-L398 HydrophobicContact CE2-CD1 4.28Å; Y381-L406 HydrophobicContact CD1-CD2 4.27Å; Y381-L406 HydrophobicContact CE1-CD1 4.24Å; Y381-L406 HydrophobicContact CE1-CD2 3.92Å; Y381-L406 HydrophobicContact CE1-CG 4.4Å; Y381-L406 HydrophobicContact CE2-CD1 4.33Å |
| 382 | I | 55.4 | Low | 54.2 | Low | 88 Ų | 88 | 51.3 Ų | 51.3 | 45% | 0.451 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.1 | -39 | -179.2 | -68.1 | 169.5 | 0 | 0 | 0 | 111.7 | L366 I378 D379 R390 | L366-I382 HydrophobicContact CD1-CD1 4.38Å; I378-I382 HydrophobicContact CG2-CD1 3.83Å; I378-I382 HydrophobicContact CG2-CG1 4.36Å; I378-I382 WeakPolarHBondContact O-CB 3.4Å; I378-I382 VanDerWaalsContact O-CG1 3.3Å; I378-I382 WeakPolarHBondContact O-CG1 3.48Å; I378-I382 PolarHBondContact O-N 3.38Å; D379-I382 PolarHBondContact O-N 2.97Å; I382-R390 WeakPolarHBondContact O-CD 3.48Å |
| 383 | R | 54.3 | Low | 54.3 | Low | 135 Ų | 135 | 51.9 Ų | 51.9 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -92.2 | -2.3 | -177 | -63.2 | -179.6 | -169.8 | 155.2 | 16.3 | 114.7 | D379 D385 | D379-R383 VanDerWaalsContact O-CB 3.26Å; D379-R383 WeakPolarHBondContact O-CB 3.26Å; D379-R383 VanDerWaalsContact O-CG 3.29Å; D379-R383 WeakPolarHBondContact O-CG 3.38Å; D379-R383 PolarHBondContact O-N 3.38Å; D379-R383 IonicContact OD2-CZ 2.61Å; D379-R383 IonicContact OD2-NH1 3.73Å; D379-R383 IonicContact OD2-NH2 3.34Å; D379-R383 PolarHBondContact OD2-NH2 3.41Å; R383-D385 PolarHBondContact O-N 3.27Å |
| 384 | S | 53.9 | Low | 53.8 | Low | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | trans | -62.3 | 130.4 | 178.8 | 163.5 | 0 | 0 | 0 | 0 | 112 | G380 D386 I389 R390 D409 | G380-S384 VanDerWaalsContact O-CB 3.26Å; G380-S384 WeakPolarHBondContact O-CB 3.42Å; G380-S384 PolarHBondContact O-N 2.93Å; S384-D386 PolarHBondContact O-N 3.21Å; S384-D386 PolarHBondContact OG-N 2.96Å; S384-D386 VanDerWaalsContact OG-N 3.07Å; S384-D386 PolarHBondContact OG-O 3.24Å; S384-D386 VanDerWaalsContact OG-O 3.05Å; S384-I389 WeakPolarHBondContact OG-CB 3.01Å; S384-I389 WeakPolarHBondContact OG-CG2 3.33Å; S384-R390 WeakPolarHBondContact O-CD 3.23Å; S384-R390 WeakPolarHBondContact O-CG 3.28Å; S384-R390 PolarHBondContact O-NE 3.16Å; S384-D409 PolarHBondContact OG-OD2 3.4Å | ||
| 385 | D | 53.6 | Low | 53.4 | Low | 121 Ų | 121 | 57.9 Ų | 57.9 | 65% | 0.647 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -61.5 | -33.8 | 172.1 | -69.8 | -35.5 | 0 | 0 | 0 | 110.7 | R383 S387 R390 | R383-D385 PolarHBondContact O-N 3.27Å; D385-S387 PolarHBondContact O-N 3.39Å; D385-S387 VanDerWaalsContact O-N 3.17Å; D385-R390 PolarHBondContact O-NH2 2.99Å; D385-R390 VanDerWaalsContact O-NH2 3.11Å |
| 386 | D | 51.8 | Low | 53.4 | Low | 69 Ų | 69 | 53.9 Ų | 53.9 | 37% | 0.369 | 32% | 0.317 | S | S | . | . | trans | -71.2 | 110 | 175.7 | -167 | -24.8 | 0 | 0 | 0 | 110.6 | S384 S388 I389 R390 | S384-D386 PolarHBondContact O-N 3.21Å; S384-D386 PolarHBondContact OG-N 2.96Å; S384-D386 VanDerWaalsContact OG-N 3.07Å; S384-D386 PolarHBondContact OG-O 3.24Å; S384-D386 VanDerWaalsContact OG-O 3.05Å; D386-S388 PolarHBondContact O-N 3.01Å; D386-S388 VanDerWaalsContact OD1-CB 3.28Å; D386-S388 WeakPolarHBondContact OD1-CB 3.26Å; D386-S388 PolarHBondContact OD1-N 3.33Å; D386-S388 PolarHBondContact OD1-OG 2.95Å; D386-S388 PolarHBondContact OD2-OG 2.76Å; D386-I389 HydrophobicContact CB-CB 4.16Å; D386-I389 HydrophobicContact CB-CD1 3.87Å; D386-I389 HydrophobicContact CB-CG1 3.97Å; D386-I389 WeakPolarHBondContact O-CB 3.49Å; D386-I389 PolarHBondContact O-N 3.18Å; D386-I389 VanDerWaalsContact O-N 3.15Å; D386-R390 PolarHBondContact O-N 2.64Å; D386-R390 VanDerWaalsContact O-N 3.12Å | ||
| 387 | S | 52.9 | Low | 53.7 | Low | 74 Ų | 74 | 55.7 Ų | 55.7 | 52% | 0.517 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.8 | -25.1 | 176.9 | 63.6 | 0 | 0 | 0 | 0 | 114 | D385 Q391 | D385-S387 PolarHBondContact O-N 3.39Å; D385-S387 VanDerWaalsContact O-N 3.17Å; S387-Q391 WeakPolarHBondContact O-CG 3.05Å; S387-Q391 PolarHBondContact O-N 2.96Å |
| 388 | S | 53.3 | Low | 54.1 | Low | 47 Ų | 47 | 55.6 Ų | 55.6 | 33% | 0.329 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73.3 | -34.8 | 177.1 | 71.9 | 0 | 0 | 0 | 0 | 111.6 | D386 Q391 V392 | D386-S388 PolarHBondContact O-N 3.01Å; D386-S388 VanDerWaalsContact OD1-CB 3.28Å; D386-S388 WeakPolarHBondContact OD1-CB 3.26Å; D386-S388 PolarHBondContact OD1-N 3.33Å; D386-S388 PolarHBondContact OD1-OG 2.95Å; D386-S388 PolarHBondContact OD2-OG 2.76Å; S388-Q391 PolarHBondContact O-N 3.23Å; S388-V392 WeakPolarHBondContact O-CG2 3.29Å |
| 389 | I | 56 | Low | 54.9 | Low | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.7 | -46.4 | 173.8 | -66.3 | 179.9 | 0 | 0 | 0 | 109.1 | Y381 S384 D386 Q391 V392 L406 | Y381-I389 HydrophobicContact CD1-CB 4.46Å; Y381-I389 HydrophobicContact CD1-CG2 3.42Å; Y381-I389 VanDerWaalsContact CD1-CG2 3.42Å; Y381-I389 WeakPolarHBondContact CD1-O 3.21Å; Y381-I389 HydrophobicContact CE1-CG2 3.78Å; Y381-I389 HydrophobicContact CG-CG2 4.47Å; S384-I389 WeakPolarHBondContact OG-CB 3.01Å; S384-I389 WeakPolarHBondContact OG-CG2 3.33Å; D386-I389 HydrophobicContact CB-CB 4.16Å; D386-I389 HydrophobicContact CB-CD1 3.87Å; D386-I389 HydrophobicContact CB-CG1 3.97Å; D386-I389 WeakPolarHBondContact O-CB 3.49Å; D386-I389 PolarHBondContact O-N 3.18Å; D386-I389 VanDerWaalsContact O-N 3.15Å; I389-Q391 PolarHBondContact O-N 3.12Å; I389-V392 PolarHBondContact O-N 3.17Å; I389-L406 HydrophobicContact CD1-CD2 4.29Å; I389-L406 HydrophobicContact CG2-CD2 3.55Å |
| 390 | R | 56.2 | Low | 56.1 | Low | 121 Ų | 121 | 59 Ų | 59 | 46% | 0.457 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -51.7 | -23.1 | 174.1 | -85.2 | -175.9 | -75.5 | -178.9 | -6.5 | 115.3 | Y381 I382 S384 D385 D386 | Y381-R390 VanDerWaalsContact O-CA 3.26Å; Y381-R390 WeakPolarHBondContact O-CA 3.19Å; Y381-R390 WeakPolarHBondContact O-CG 2.76Å; I382-R390 WeakPolarHBondContact O-CD 3.48Å; S384-R390 WeakPolarHBondContact O-CD 3.23Å; S384-R390 WeakPolarHBondContact O-CG 3.28Å; S384-R390 PolarHBondContact O-NE 3.16Å; D385-R390 PolarHBondContact O-NH2 2.99Å; D385-R390 VanDerWaalsContact O-NH2 3.11Å; D386-R390 PolarHBondContact O-N 2.64Å; D386-R390 VanDerWaalsContact O-N 3.12Å |
| 391 | Q | 54 | Low | 57.3 | Low | 129 Ų | 129 | 64.3 Ų | 64.3 | 60% | 0.603 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -13.8 | -179.9 | -74.8 | -178.3 | -7.5 | 0 | 0 | 115.4 | S387 S388 I389 | S387-Q391 WeakPolarHBondContact O-CG 3.05Å; S387-Q391 PolarHBondContact O-N 2.96Å; S388-Q391 PolarHBondContact O-N 3.23Å; I389-Q391 PolarHBondContact O-N 3.12Å |
| 392 | V | 53.1 | Low | 57.9 | Low | 40 Ų | 40 | 66.2 Ų | 66.2 | 24% | 0.242 | 37% | 0.373 | C | S | . | . | trans | -84.8 | -13.6 | -171.1 | 175.3 | 0 | 0 | 0 | 0 | 113.3 | Y381 S388 I389 A394 G395 Q402 | Y381-V392 HydrophobicContact CD1-CB 4.34Å; Y381-V392 HydrophobicContact CE1-CB 3.76Å; Y381-V392 HydrophobicContact CE1-CG1 3.96Å; S388-V392 WeakPolarHBondContact O-CG2 3.29Å; I389-V392 PolarHBondContact O-N 3.17Å; V392-A394 PolarHBondContact O-N 3.47Å; V392-G395 PolarHBondContact O-N 2.81Å; V392-Q402 VanDerWaalsContact CG1-NE2 3.32Å | ||
| 393 | G | 48.7 | Very low | 59 | Low | 26 Ų | 26 | 62 Ų | 62 | 27% | 0.268 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -4.3 | -174 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 394 | A | 41.3 | Very low | 60.6 | Low | 105 Ų | 105 | 57.3 Ų | 57.3 | 87% | 0.868 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 1.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | V392 | V392-A394 PolarHBondContact O-N 3.47Š|
| 395 | G | 43.3 | Very low | 61.7 | Low | 60 Ų | 60 | 61.8 Ų | 61.8 | 62% | 0.619 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -100 | -2.6 | -162.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | V392 Q397 | V392-G395 PolarHBondContact O-N 2.81Å; G395-Q397 PolarHBondContact O-N 3.05Å |
| 396 | G | 50.5 | Low | 62.8 | Low | 17 Ų | 17 | 56.2 Ų | 56.2 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | S | Bend | trans | 68.5 | -24.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | L372 | L372-G396 WeakPolarHBondContact CB-O 3.46Å; L372-G396 WeakPolarHBondContact CD1-O 3.33Å; L372-G396 WeakPolarHBondContact CG-O 3.32Å |
| 397 | Q | 58.7 | Low | 64.3 | Low | 74 Ų | 74 | 52.9 Ų | 52.9 | 35% | 0.346 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -147.9 | 137 | 177.7 | -65.8 | -176 | -16.8 | 0 | 0 | 112.7 | L372 G395 | L372-Q397 HydrophobicContact CD1-CG 4.08Å; G395-Q397 PolarHBondContact O-N 3.05Å |
| 398 | L | 66.5 | Low | 65.8 | Low | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | trans | -86.2 | 128.3 | -175.6 | -134.4 | 136.8 | 0 | 0 | 0 | 111.1 | L373 I377 Y381 Q402 A403 L406 L418 L432 R433 | L373-L398 HydrophobicContact CD2-CB 4.3Å; L373-L398 HydrophobicContact CD2-CD1 3.75Å; I377-L398 HydrophobicContact CD1-CD1 4.03Å; I377-L398 HydrophobicContact CG2-CD1 4.17Å; Y381-L398 HydrophobicContact CE2-CD1 4.28Å; L398-Q402 HydrophobicContact CD2-CB 4.24Å; L398-Q402 HydrophobicContact CG-CB 4.46Å; L398-A403 HydrophobicContact CD2-CB 3.47Å; L398-A403 VanDerWaalsContact CD2-CB 3.47Å; L398-A403 VanDerWaalsContact CD2-N 3.31Å; L398-L406 HydrophobicContact CD1-CD1 3.8Å; L398-L406 HydrophobicContact CD2-CD1 4.07Å; L398-L406 HydrophobicContact CG-CD1 4.32Å; L398-L418 HydrophobicContact CD2-CD1 4.22Å; L398-L432 HydrophobicContact CB-CD1 4.29Å; L398-L432 HydrophobicContact CB-CD2 3.26Å; L398-L432 HydrophobicContact CB-CG 4.27Å; L398-L432 HydrophobicContact CG-CD2 4.46Å; L398-R433 PolarHBondContact O-N 2.95Å | ||
| 399 | T | 74.7 | Confident | 66.8 | Low | 44 Ų | 44 | 51.7 Ų | 51.7 | 27% | 0.27 | 29% | 0.293 | S | S | . | . | trans | -93.2 | 161.7 | 175.3 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | N401 Q402 A403 R433 | T399-N401 VanDerWaalsContact C-N 3.26Å; T399-N401 PolarHBondContact O-N 3.16Å; T399-Q402 PolarHBondContact O-N 2.87Å; T399-Q402 VanDerWaalsContact O-N 3.07Å; T399-Q402 VanDerWaalsContact OG1-CD 3.24Å; T399-Q402 WeakPolarHBondContact OG1-CG 3.36Å; T399-Q402 PolarHBondContact OG1-N 2.73Å; T399-Q402 PolarHBondContact OG1-OE1 3.29Å; T399-A403 PolarHBondContact O-N 2.93Å; T399-R433 HydrophobicContact CG2-CB 4.43Å | ||
| 400 | Y | 82.7 | Confident | 67.5 | Low | 72 Ų | 72 | 56 Ų | 56 | 28% | 0.282 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -51.3 | -42.3 | 177 | 173.4 | -100.8 | 0 | 0 | 0 | 113.2 | A403 M404 E438 K441 V442 | Y400-A403 PolarHBondContact O-N 2.71Å; Y400-M404 HydrophobicContact CE1-CG 4.15Å; Y400-M404 HydrophobicContact CE2-CG 4.09Å; Y400-M404 WeakPolarHBondContact O-CG 3.49Å; Y400-M404 PolarHBondContact O-N 3.36Å; Y400-E438 HydrophobicContact CD2-CB 3.77Å; Y400-E438 HydrophobicContact CD2-CG 3.95Å; Y400-E438 HydrophobicContact CG-CB 4.35Å; Y400-E438 HydrophobicContact CG-CG 4.2Å; Y400-K441 HydrophobicContact CE2-CB 4.07Å; Y400-K441 HydrophobicContact CE2-CD 4.47Å; Y400-V442 HydrophobicContact CD2-CG2 3.76Å; Y400-V442 HydrophobicContact CE2-CG2 3.81Å |
| 401 | N | 79.6 | Confident | 68.2 | Low | 116 Ų | 116 | 51.6 Ų | 51.6 | 62% | 0.62 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -69.2 | -38.8 | 179.2 | -70.4 | -20.9 | 0 | 0 | 0 | 112.7 | T399 M404 Q405 | T399-N401 VanDerWaalsContact C-N 3.26Å; T399-N401 PolarHBondContact O-N 3.16Å; N401-M404 PolarHBondContact O-N 2.94Å; N401-Q405 WeakPolarHBondContact O-CG 3.37Å; N401-Q405 PolarHBondContact O-N 2.9Å |
| 402 | Q | 75.2 | Confident | 69.1 | Low | 46 Ų | 46 | 49.7 Ų | 49.7 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.1 | -36.6 | 176 | -71.7 | 164.2 | -37.9 | 0 | 0 | 111.2 | V392 L398 T399 Q405 L406 | V392-Q402 VanDerWaalsContact CG1-NE2 3.32Å; L398-Q402 HydrophobicContact CD2-CB 4.24Å; L398-Q402 HydrophobicContact CG-CB 4.46Å; T399-Q402 PolarHBondContact O-N 2.87Å; T399-Q402 VanDerWaalsContact O-N 3.07Å; T399-Q402 VanDerWaalsContact OG1-CD 3.24Å; T399-Q402 WeakPolarHBondContact OG1-CG 3.36Å; T399-Q402 PolarHBondContact OG1-N 2.73Å; T399-Q402 PolarHBondContact OG1-OE1 3.29Å; Q402-Q405 PolarHBondContact O-N 3.45Å; Q402-L406 WeakPolarHBondContact O-CG 3.35Å; Q402-L406 PolarHBondContact O-N 3.23Å |
| 403 | A | 79.7 | Confident | 69.7 | Low | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L398 T399 Y400 Q405 L406 A407 L418 M434 V442 | L398-A403 HydrophobicContact CD2-CB 3.47Å; L398-A403 VanDerWaalsContact CD2-CB 3.47Å; L398-A403 VanDerWaalsContact CD2-N 3.31Å; T399-A403 PolarHBondContact O-N 2.93Å; Y400-A403 PolarHBondContact O-N 2.71Å; A403-Q405 VanDerWaalsContact C-N 3.3Å; A403-Q405 PolarHBondContact O-N 2.88Å; A403-L406 PolarHBondContact O-N 3.07Å; A403-A407 VanDerWaalsContact O-CB 3.3Å; A403-A407 WeakPolarHBondContact O-CB 3.49Å; A403-A407 PolarHBondContact O-N 3.44Å; A403-L418 HydrophobicContact CB-CD1 4.2Å; A403-L418 WeakPolarHBondContact O-CD2 3.3Å; A403-M434 HydrophobicContact CB-CE 4.25Å; A403-M434 HydrophobicContact CB-SD 3.69Å; A403-V442 HydrophobicContact CB-CG1 4.16Å; A403-V442 HydrophobicContact CB-CG2 3.96Å |
| 404 | M | 86.7 | Confident | 70.6 | Confident | 35 Ų | 35 | 51.3 Ų | 51.3 | 17% | 0.172 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.9 | -27.7 | 175.2 | -75.4 | -59.2 | -54.7 | 0 | 0 | 113.6 | Y400 N401 N408 V442 Y445 | Y400-M404 HydrophobicContact CE1-CG 4.15Å; Y400-M404 HydrophobicContact CE2-CG 4.09Å; Y400-M404 WeakPolarHBondContact O-CG 3.49Å; Y400-M404 PolarHBondContact O-N 3.36Å; N401-M404 PolarHBondContact O-N 2.94Å; M404-N408 WeakPolarHBondContact O-CB 3.39Å; M404-N408 PolarHBondContact O-N 3.11Å; M404-N408 PolarHBondContact O-ND2 2.77Å; M404-V442 HydrophobicContact CG-CG2 4.25Å; M404-V442 HydrophobicContact SD-CG1 4.38Å; M404-V442 HydrophobicContact SD-CG2 4.04Å; M404-Y445 HydrophobicContact CE-CD1 3.61Å; M404-Y445 HydrophobicContact CE-CD2 4Å; M404-Y445 HydrophobicContact CE-CE1 3.78Å; M404-Y445 HydrophobicContact CE-CE2 4.16Å; M404-Y445 HydrophobicContact CE-CG 3.73Å; M404-Y445 HydrophobicContact SD-CD1 4.12Å; M404-Y445 HydrophobicContact SD-CG 4.22Å |
| 405 | Q | 77.3 | Confident | 72.5 | Confident | 95 Ų | 95 | 46.3 Ų | 46.3 | 44% | 0.444 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.8 | -48.6 | 172.3 | -79 | 177.5 | -29.5 | 0 | 0 | 111.4 | N401 Q402 A403 A407 N408 D409 | N401-Q405 WeakPolarHBondContact O-CG 3.37Å; N401-Q405 PolarHBondContact O-N 2.9Å; Q402-Q405 PolarHBondContact O-N 3.45Å; A403-Q405 VanDerWaalsContact C-N 3.3Å; A403-Q405 PolarHBondContact O-N 2.88Å; Q405-A407 VanDerWaalsContact C-N 3.29Å; Q405-A407 PolarHBondContact O-N 3.22Å; Q405-N408 CarbonylContact O-C 3.58Å; Q405-N408 WeakPolarHBondContact O-CA 3.22Å; Q405-N408 WeakPolarHBondContact O-CB 3.49Å; Q405-N408 PolarHBondContact O-N 2.95Å; Q405-D409 PolarHBondContact O-N 3.29Å; Q405-D409 VanDerWaalsContact O-N 3.17Å |
| 406 | L | 76.9 | Confident | 74.2 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.4 | -37.5 | 174.4 | -70.8 | 171.8 | 0 | 0 | 0 | 112 | Y381 I389 L398 Q402 A403 N408 D409 V414 L418 | Y381-L406 HydrophobicContact CD1-CD2 4.27Å; Y381-L406 HydrophobicContact CE1-CD1 4.24Å; Y381-L406 HydrophobicContact CE1-CD2 3.92Å; Y381-L406 HydrophobicContact CE1-CG 4.4Å; Y381-L406 HydrophobicContact CE2-CD1 4.33Å; I389-L406 HydrophobicContact CD1-CD2 4.29Å; I389-L406 HydrophobicContact CG2-CD2 3.55Å; L398-L406 HydrophobicContact CD1-CD1 3.8Å; L398-L406 HydrophobicContact CD2-CD1 4.07Å; L398-L406 HydrophobicContact CG-CD1 4.32Å; Q402-L406 WeakPolarHBondContact O-CG 3.35Å; Q402-L406 PolarHBondContact O-N 3.23Å; A403-L406 PolarHBondContact O-N 3.07Å; L406-N408 PolarHBondContact O-N 3.46Å; L406-D409 VanDerWaalsContact O-CB 3.29Å; L406-D409 WeakPolarHBondContact O-CB 3.32Å; L406-D409 PolarHBondContact O-N 3.34Å; L406-D409 VanDerWaalsContact O-N 3.12Å; L406-V414 HydrophobicContact CB-CG1 4.19Å; L406-V414 HydrophobicContact CD2-CG1 3.47Å; L406-V414 VanDerWaalsContact CD2-CG1 3.47Å; L406-V414 HydrophobicContact CG-CG1 4.42Å; L406-L418 HydrophobicContact CB-CB 4.48Å; L406-L418 HydrophobicContact CB-CD1 4.49Å; L406-L418 HydrophobicContact CB-CD2 3.89Å; L406-L418 HydrophobicContact CD1-CD1 4.32Å |
| 407 | A | 84.1 | Confident | 75.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A403 Q405 L418 V442 Y445 L446 K449 | A403-A407 VanDerWaalsContact O-CB 3.3Å; A403-A407 WeakPolarHBondContact O-CB 3.49Å; A403-A407 PolarHBondContact O-N 3.44Å; Q405-A407 VanDerWaalsContact C-N 3.29Å; Q405-A407 PolarHBondContact O-N 3.22Å; A407-L418 HydrophobicContact CB-CD2 3.68Å; A407-V442 HydrophobicContact CB-CG1 4.4Å; A407-Y445 HydrophobicContact CB-CD1 4Å; A407-Y445 HydrophobicContact CB-CE1 4.11Å; A407-L446 HydrophobicContact CB-CD2 3.65Å; A407-L446 HydrophobicContact CB-CG 4.1Å; A407-K449 PolarHBondContact O-NZ 3.05Å |
| 408 | N | 82.6 | Confident | 76.2 | Confident | 84 Ų | 84 | 41.7 Ų | 41.7 | 45% | 0.449 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -6.4 | 175.9 | -81.6 | -41.7 | 0 | 0 | 0 | 114.8 | M404 Q405 L406 Y445 K449 | M404-N408 WeakPolarHBondContact O-CB 3.39Å; M404-N408 PolarHBondContact O-N 3.11Å; M404-N408 PolarHBondContact O-ND2 2.77Å; Q405-N408 CarbonylContact O-C 3.58Å; Q405-N408 WeakPolarHBondContact O-CA 3.22Å; Q405-N408 WeakPolarHBondContact O-CB 3.49Å; Q405-N408 PolarHBondContact O-N 2.95Å; L406-N408 PolarHBondContact O-N 3.46Å; N408-Y445 PolarHBondContact OD1-OH 2.74Å; N408-K449 PolarHBondContact OD1-NZ 2.79Å |
| 409 | D | 74.7 | Confident | 77.1 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 6% | 0.064 | 23% | 0.226 | C | C | . | . | trans | -62.7 | 147.9 | 178.5 | -161.3 | -87 | 0 | 0 | 0 | 111.8 | S384 Q405 L406 S411 V414 | S384-D409 PolarHBondContact OG-OD2 3.4Å; Q405-D409 PolarHBondContact O-N 3.29Å; Q405-D409 VanDerWaalsContact O-N 3.17Å; L406-D409 VanDerWaalsContact O-CB 3.29Å; L406-D409 WeakPolarHBondContact O-CB 3.32Å; L406-D409 PolarHBondContact O-N 3.34Å; L406-D409 VanDerWaalsContact O-N 3.12Å; D409-S411 VanDerWaalsContact C-N 3.35Å; D409-S411 WeakPolarHBondContact OD1-CA 3.46Å; D409-S411 WeakPolarHBondContact OD1-CB 3.44Å; D409-S411 PolarHBondContact OD1-N 2.9Å; D409-V414 HydrophobicContact CB-CB 4.01Å; D409-V414 HydrophobicContact CB-CG1 3.64Å | ||
| 410 | S | 72 | Confident | 77.1 | Confident | 96 Ų | 96 | 44.7 Ų | 44.7 | 67% | 0.671 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -78.7 | -17.7 | 178.8 | 38.8 | 0 | 0 | 0 | 0 | 113.4 | N412 | S410-N412 PolarHBondContact O-N 3.09Š|
| 411 | S | 69.5 | Low | 76.7 | Confident | 27 Ų | 27 | 42 Ų | 42 | 19% | 0.189 | 23% | 0.226 | C | C | . | . | trans | -80.8 | 115.7 | -179.4 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | D409 N413 V414 V415 | D409-S411 VanDerWaalsContact C-N 3.35Å; D409-S411 WeakPolarHBondContact OD1-CA 3.46Å; D409-S411 WeakPolarHBondContact OD1-CB 3.44Å; D409-S411 PolarHBondContact OD1-N 2.9Å; S411-N413 PolarHBondContact O-N 2.76Å; S411-N413 VanDerWaalsContact O-N 3.14Å; S411-N413 PolarHBondContact OG-N 2.96Å; S411-V414 WeakPolarHBondContact O-CB 3.38Å; S411-V414 PolarHBondContact O-N 3.35Å; S411-V415 WeakPolarHBondContact O-CG2 3.21Å; S411-V415 PolarHBondContact O-N 3.37Å; S411-V415 VanDerWaalsContact O-N 3.11Å | ||
| 412 | N | 73.4 | Confident | 76.7 | Confident | 90 Ų | 90 | 36.4 Ų | 36.4 | 48% | 0.481 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -53.9 | -33 | 171.7 | -90.1 | 12.7 | 0 | 0 | 0 | 112.1 | S410 T416 | S410-N412 PolarHBondContact O-N 3.09Å; N412-T416 WeakPolarHBondContact O-CB 3.4Å; N412-T416 PolarHBondContact O-N 3.19Å; N412-T416 PolarHBondContact O-OG1 3.02Å |
| 413 | N | 65.3 | Low | 76.8 | Confident | 97 Ų | 97 | 34.4 Ų | 34.4 | 52% | 0.519 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.4 | -45.5 | 176.1 | -69.9 | -18.9 | 0 | 0 | 0 | 110.9 | S411 V415 T416 S417 | S411-N413 PolarHBondContact O-N 2.76Å; S411-N413 VanDerWaalsContact O-N 3.14Å; S411-N413 PolarHBondContact OG-N 2.96Å; N413-V415 PolarHBondContact O-N 3.03Å; N413-T416 PolarHBondContact O-N 3.16Å; N413-S417 WeakPolarHBondContact O-CB 3.36Å; N413-S417 PolarHBondContact O-N 2.97Å; N413-S417 PolarHBondContact O-OG 3.17Å |
| 414 | V | 68.1 | Low | 76.2 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.1 | -46.8 | 179.6 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | G380 L406 D409 S411 S417 L418 | G380-V414 WeakPolarHBondContact O-CG2 3.43Å; L406-V414 HydrophobicContact CB-CG1 4.19Å; L406-V414 HydrophobicContact CD2-CG1 3.47Å; L406-V414 VanDerWaalsContact CD2-CG1 3.47Å; L406-V414 HydrophobicContact CG-CG1 4.42Å; D409-V414 HydrophobicContact CB-CB 4.01Å; D409-V414 HydrophobicContact CB-CG1 3.64Å; S411-V414 WeakPolarHBondContact O-CB 3.38Å; S411-V414 PolarHBondContact O-N 3.35Å; V414-S417 PolarHBondContact O-N 3.04Å; V414-L418 PolarHBondContact O-N 3.36Å |
| 415 | V | 81.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 179.5 | -176 | 0 | 0 | 0 | 0 | 110.8 | S411 N413 L418 A419 L446 F450 L456 | S411-V415 WeakPolarHBondContact O-CG2 3.21Å; S411-V415 PolarHBondContact O-N 3.37Å; S411-V415 VanDerWaalsContact O-N 3.11Å; N413-V415 PolarHBondContact O-N 3.03Å; V415-L418 PolarHBondContact O-N 3.15Å; V415-A419 PolarHBondContact O-N 3.11Å; V415-L446 HydrophobicContact CG1-CD2 3.55Å; V415-F450 HydrophobicContact CB-CE2 4.46Å; V415-F450 HydrophobicContact CB-CZ 4.43Å; V415-F450 HydrophobicContact CG1-CD2 4.02Å; V415-F450 HydrophobicContact CG1-CE2 3.42Å; V415-F450 VanDerWaalsContact CG1-CE2 3.42Å; V415-F450 HydrophobicContact CG1-CZ 3.81Å; V415-F450 HydrophobicContact CG2-CE2 4.31Å; V415-F450 HydrophobicContact CG2-CZ 4.03Å; V415-L456 HydrophobicContact CB-CD1 4.2Å; V415-L456 HydrophobicContact CG1-CD1 3.74Å; V415-L456 HydrophobicContact CG1-CD2 3.7Å; V415-L456 HydrophobicContact CG1-CG 4.34Å |
| 416 | T | 78.2 | Confident | 75.2 | Confident | 42 Ų | 42 | 35.6 Ų | 35.6 | 26% | 0.258 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 176.8 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | N412 N413 L418 A419 F420 L456 V459 | N412-T416 WeakPolarHBondContact O-CB 3.4Å; N412-T416 PolarHBondContact O-N 3.19Å; N412-T416 PolarHBondContact O-OG1 3.02Å; N413-T416 PolarHBondContact O-N 3.16Å; T416-L418 PolarHBondContact O-N 2.83Å; T416-A419 WeakPolarHBondContact O-CB 3.43Å; T416-A419 PolarHBondContact O-N 3.08Å; T416-F420 HydrophobicContact CG2-CD2 3.99Å; T416-F420 HydrophobicContact CG2-CE2 3.98Å; T416-F420 WeakPolarHBondContact O-CD2 3.43Å; T416-F420 PolarHBondContact O-N 3.05Å; T416-L456 WeakPolarHBondContact OG1-CD1 3.04Å; T416-V459 HydrophobicContact CG2-CG2 4.31Å |
| 417 | S | 70.5 | Confident | 74.6 | Confident | 10 Ų | 10 | 38 Ų | 38 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -40.2 | 175.8 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | S376 I377 N413 V414 F420 K421 | S376-S417 WeakPolarHBondContact CB-OG 3.21Å; S376-S417 WeakPolarHBondContact O-CB 3.27Å; S376-S417 PolarHBondContact O-OG 3.1Å; I377-S417 WeakPolarHBondContact CG1-O 3.37Å; N413-S417 WeakPolarHBondContact O-CB 3.36Å; N413-S417 PolarHBondContact O-N 2.97Å; N413-S417 PolarHBondContact O-OG 3.17Å; V414-S417 PolarHBondContact O-N 3.04Å; S417-F420 WeakPolarHBondContact O-CB 3.37Å; S417-F420 PolarHBondContact O-N 3.05Å; S417-K421 PolarHBondContact O-N 3.09Å |
| 418 | L | 82.2 | Confident | 73.5 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 174 | 179.7 | 66.2 | 0 | 0 | 0 | 111.6 | L398 A403 L406 A407 V414 V415 T416 F420 K421 L422 V442 L446 | L398-L418 HydrophobicContact CD2-CD1 4.22Å; A403-L418 HydrophobicContact CB-CD1 4.2Å; A403-L418 WeakPolarHBondContact O-CD2 3.3Å; L406-L418 HydrophobicContact CB-CB 4.48Å; L406-L418 HydrophobicContact CB-CD1 4.49Å; L406-L418 HydrophobicContact CB-CD2 3.89Å; L406-L418 HydrophobicContact CD1-CD1 4.32Å; A407-L418 HydrophobicContact CB-CD2 3.68Å; V414-L418 PolarHBondContact O-N 3.36Å; V415-L418 PolarHBondContact O-N 3.15Å; T416-L418 PolarHBondContact O-N 2.83Å; L418-F420 VanDerWaalsContact C-N 3.3Å; L418-F420 PolarHBondContact O-N 3.21Å; L418-K421 PolarHBondContact O-N 3.21Å; L418-L422 HydrophobicContact CD1-CG 4.45Å; L418-L422 HydrophobicContact CG-CD1 4.16Å; L418-L422 WeakPolarHBondContact O-CG 3.15Å; L418-L422 PolarHBondContact O-N 3.17Å; L418-V442 HydrophobicContact CD2-CG1 4.19Å; L418-L446 HydrophobicContact CD2-CD1 4.03Å; L418-L446 HydrophobicContact CG-CD1 4.29Å |
| 419 | A | 83.8 | Confident | 72.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.5 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | V415 T416 K421 L422 A423 V459 L460 | V415-A419 PolarHBondContact O-N 3.11Å; T416-A419 WeakPolarHBondContact O-CB 3.43Å; T416-A419 PolarHBondContact O-N 3.08Å; A419-K421 PolarHBondContact O-N 3.08Å; A419-L422 PolarHBondContact O-N 2.89Å; A419-A423 WeakPolarHBondContact O-CB 3.3Å; A419-A423 PolarHBondContact O-N 3.14Å; A419-V459 HydrophobicContact CB-CB 4.22Å; A419-V459 HydrophobicContact CB-CG1 3.72Å; A419-L460 HydrophobicContact CB-CB 4.19Å; A419-L460 HydrophobicContact CB-CD1 3.68Å |
| 420 | F | 76.3 | Confident | 71 | Confident | 108 Ų | 108 | 49.4 Ų | 49.4 | 47% | 0.474 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 175.2 | -96.7 | -70.2 | 0 | 0 | 0 | 112.1 | T416 S417 L418 A423 E424 V459 | T416-F420 HydrophobicContact CG2-CD2 3.99Å; T416-F420 HydrophobicContact CG2-CE2 3.98Å; T416-F420 WeakPolarHBondContact O-CD2 3.43Å; T416-F420 PolarHBondContact O-N 3.05Å; S417-F420 WeakPolarHBondContact O-CB 3.37Å; S417-F420 PolarHBondContact O-N 3.05Å; L418-F420 VanDerWaalsContact C-N 3.3Å; L418-F420 PolarHBondContact O-N 3.21Å; F420-A423 WeakPolarHBondContact O-CB 3.4Å; F420-A423 PolarHBondContact O-N 3.03Å; F420-E424 WeakPolarHBondContact O-CB 3.33Å; F420-E424 PolarHBondContact O-N 2.83Å; F420-V459 HydrophobicContact CB-CG1 4Å; F420-V459 HydrophobicContact CD1-CG1 3.84Å; F420-V459 HydrophobicContact CD2-CB 4.41Å; F420-V459 HydrophobicContact CD2-CG1 3.33Å; F420-V459 HydrophobicContact CD2-CG2 4.17Å; F420-V459 HydrophobicContact CE1-CG1 4.1Å; F420-V459 HydrophobicContact CE2-CB 4.29Å; F420-V459 HydrophobicContact CE2-CG1 3.62Å; F420-V459 HydrophobicContact CE2-CG2 3.59Å; F420-V459 HydrophobicContact CG-CG1 3.44Å; F420-V459 VanDerWaalsContact CG-CG1 3.44Å; F420-V459 HydrophobicContact CZ-CG1 3.99Å; F420-V459 HydrophobicContact CZ-CG2 3.83Å; F420-V459 VanDerWaalsContact N-CG1 3.32Å |
| 421 | K | 72.8 | Confident | 70 | Confident | 15 Ų | 15 | 48 Ų | 48 | 7% | 0.065 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -74.4 | -33 | -178.3 | -163 | 45.7 | 159.9 | -154.6 | 0 | 113.3 | P374 I377 S417 L418 A419 A423 E424 M425 L432 | P374-K421 HydrophobicContact CG-CB 4.11Å; P374-K421 HydrophobicContact CG-CD 3.31Å; P374-K421 HydrophobicContact CG-CG 3.91Å; P374-K421 VanDerWaalsContact CG-NZ 3.31Å; I377-K421 HydrophobicContact CD1-CB 3.28Å; I377-K421 HydrophobicContact CD1-CG 3.8Å; I377-K421 HydrophobicContact CG1-CB 4.19Å; S417-K421 PolarHBondContact O-N 3.09Å; L418-K421 PolarHBondContact O-N 3.21Å; A419-K421 PolarHBondContact O-N 3.08Å; K421-A423 VanDerWaalsContact C-N 3.28Å; K421-E424 HydrophobicContact CD-CB 4.13Å; K421-E424 WeakPolarHBondContact CD-OE2 3.44Å; K421-E424 WeakPolarHBondContact CE-OE2 3.36Å; K421-E424 IonicContact NZ-OE1 2.88Å; K421-E424 PolarHBondContact NZ-OE1 3.02Å; K421-E424 IonicContact NZ-OE2 3.61Å; K421-E424 PolarHBondContact NZ-OE2 2.84Å; K421-E424 PolarHBondContact O-N 3.18Å; K421-M425 VanDerWaalsContact O-CB 3.23Å; K421-M425 WeakPolarHBondContact O-CB 3.06Å; K421-M425 PolarHBondContact O-N 2.96Å; K421-L432 HydrophobicContact CG-CD1 4.35Å; K421-L432 HydrophobicContact CG-CD2 4.43Å |
| 422 | L | 81.1 | Confident | 69.4 | Low | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 170.9 | -71.5 | 168.1 | 0 | 0 | 0 | 110.9 | L418 A419 M425 K426 M434 S439 V442 L446 L460 A463 | L418-L422 HydrophobicContact CD1-CG 4.45Å; L418-L422 HydrophobicContact CG-CD1 4.16Å; L418-L422 WeakPolarHBondContact O-CG 3.15Å; L418-L422 PolarHBondContact O-N 3.17Å; A419-L422 PolarHBondContact O-N 2.89Å; L422-M425 PolarHBondContact O-N 2.76Å; L422-K426 PolarHBondContact O-N 3.25Å; L422-M434 HydrophobicContact CD2-CE 3.65Å; L422-S439 WeakPolarHBondContact CD2-OG 3.45Å; L422-V442 HydrophobicContact CD1-CB 4.11Å; L422-V442 HydrophobicContact CD1-CG1 3.71Å; L422-V442 HydrophobicContact CD2-CB 4.36Å; L422-L446 HydrophobicContact CD1-CD1 3.8Å; L422-L460 HydrophobicContact CD1-CD1 4.3Å; L422-A463 HydrophobicContact CB-CB 3.69Å |
| 423 | A | 76.7 | Confident | 68.8 | Low | 3 Ų | 3 | 52.4 Ų | 52.4 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.4 | -47.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A419 F420 K421 M425 K426 H427 L462 | A419-A423 WeakPolarHBondContact O-CB 3.3Å; A419-A423 PolarHBondContact O-N 3.14Å; F420-A423 WeakPolarHBondContact O-CB 3.4Å; F420-A423 PolarHBondContact O-N 3.03Å; K421-A423 VanDerWaalsContact C-N 3.28Å; A423-M425 VanDerWaalsContact C-N 3.34Å; A423-M425 PolarHBondContact O-N 2.64Å; A423-K426 PolarHBondContact O-N 2.78Å; A423-H427 PolarHBondContact O-N 2.91Å; A423-H427 VanDerWaalsContact O-N 3.07Å; A423-L462 HydrophobicContact CB-CB 3.35Å; A423-L462 HydrophobicContact CB-CD1 3.75Å; A423-L462 HydrophobicContact CB-CG 4.15Å |
| 424 | E | 67.5 | Low | 69.1 | Low | 68 Ų | 68 | 48.3 Ų | 48.3 | 32% | 0.318 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.4 | -36.2 | 177.6 | -166.6 | -170.6 | 158.9 | 0 | 0 | 112.3 | P374 F420 K421 K426 H427 H428 | P374-E424 WeakPolarHBondContact CG-OE2 3.23Å; F420-E424 WeakPolarHBondContact O-CB 3.33Å; F420-E424 PolarHBondContact O-N 2.83Å; K421-E424 HydrophobicContact CD-CB 4.13Å; K421-E424 WeakPolarHBondContact CD-OE2 3.44Å; K421-E424 WeakPolarHBondContact CE-OE2 3.36Å; K421-E424 IonicContact NZ-OE1 2.88Å; K421-E424 PolarHBondContact NZ-OE1 3.02Å; K421-E424 IonicContact NZ-OE2 3.61Å; K421-E424 PolarHBondContact NZ-OE2 2.84Å; K421-E424 PolarHBondContact O-N 3.18Å; E424-K426 VanDerWaalsContact C-N 3.32Å; E424-K426 PolarHBondContact O-N 2.57Å; E424-H427 CarbonylContact O-C 3.45Å; E424-H427 WeakPolarHBondContact O-CA 2.85Å; E424-H427 WeakPolarHBondContact O-CB 3.34Å; E424-H427 PolarHBondContact O-N 3.25Å; E424-H428 PolarHBondContact O-N 3.17Å |
| 425 | M | 71.4 | Confident | 69.5 | Low | 28 Ų | 28 | 51 Ų | 51 | 14% | 0.138 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 176.4 | -161.8 | -167.5 | 124.4 | 0 | 0 | 111.8 | K421 L422 A423 G429 L432 M434 | K421-M425 VanDerWaalsContact O-CB 3.23Å; K421-M425 WeakPolarHBondContact O-CB 3.06Å; K421-M425 PolarHBondContact O-N 2.96Å; L422-M425 PolarHBondContact O-N 2.76Å; A423-M425 VanDerWaalsContact C-N 3.34Å; A423-M425 PolarHBondContact O-N 2.64Å; M425-G429 PolarHBondContact O-N 3.48Å; M425-L432 HydrophobicContact CG-CB 4.45Å; M425-L432 HydrophobicContact CG-CD1 4.39Å; M425-L432 HydrophobicContact CG-CG 4.22Å; M425-L432 HydrophobicContact SD-CB 3.49Å; M425-L432 WeakPolarHBondContact SD-CB 3.4Å; M425-L432 HydrophobicContact SD-CD1 3.48Å; M425-L432 WeakPolarHBondContact SD-CD1 3.4Å; M425-L432 HydrophobicContact SD-CG 3.58Å; M425-L432 VanDerWaalsContact SD-CG 3.58Å; M425-M434 HydrophobicContact CE-CB 4.45Å; M425-M434 HydrophobicContact SD-CE 4.13Å |
| 426 | K | 71.6 | Confident | 69.2 | Low | 59 Ų | 59 | 55.5 Ų | 55.5 | 26% | 0.257 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -74.9 | -16.2 | 172.6 | -159.6 | 149.5 | 170.7 | -179.5 | 0 | 112.1 | L422 A423 E424 D440 L462 A463 L464 H493 Y519 | L422-K426 PolarHBondContact O-N 3.25Å; A423-K426 PolarHBondContact O-N 2.78Å; E424-K426 VanDerWaalsContact C-N 3.32Å; E424-K426 PolarHBondContact O-N 2.57Å; K426-D440 IonicContact NZ-OD1 2.69Å; K426-D440 PolarHBondContact NZ-OD1 3.1Å; K426-D440 VanDerWaalsContact NZ-OD1 3.08Å; K426-L462 VanDerWaalsContact CD-O 3.28Å; K426-L462 WeakPolarHBondContact CD-O 3.49Å; K426-A463 PolarHBondContact NZ-O 2.73Å; K426-L464 PolarHBondContact NZ-O 2.85Å; K426-H493 WeakPolarHBondContact CE-NE2 3.36Å; K426-Y519 WeakPolarHBondContact O-CE1 3.43Å; K426-Y519 PolarHBondContact O-OH 2.79Å |
| 427 | H | 64.2 | Low | 69.3 | Low | 54 Ų | 54 | 60 Ų | 60 | 25% | 0.25 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -86.6 | -53.1 | 176.9 | -151 | 54.9 | 0 | 0 | 0 | 114.9 | A423 E424 Q518 Y519 | A423-H427 PolarHBondContact O-N 2.91Å; A423-H427 VanDerWaalsContact O-N 3.07Å; E424-H427 CarbonylContact O-C 3.45Å; E424-H427 WeakPolarHBondContact O-CA 2.85Å; E424-H427 WeakPolarHBondContact O-CB 3.34Å; E424-H427 PolarHBondContact O-N 3.25Å; H427-Q518 VanDerWaalsContact CE1-CD 3.42Å; H427-Q518 PolarHBondContact CE1-NE2 3.3Å; H427-Q518 PolarHBondContact ND1-NE2 3.47Å; H427-Q518 PolarHBondContact NE2-NE2 3.25Å; H427-Y519 WeakPolarHBondContact CA-OH 3.48Å; H427-Y519 WeakPolarHBondContact CB-OH 3.4Å; H427-Y519 AromaticContact CE1-CE2 3.71Å; H427-Y519 PolarHBondContact N-OH 3.21Å; H427-Y519 AromaticContact ND1-CE2 3.25Å; H427-Y519 VanDerWaalsContact ND1-CE2 3.25Å; H427-Y519 WeakPolarHBondContact ND1-CE2 3.24Å; H427-Y519 AromaticContact ND1-CZ 3.39Å; H427-Y519 PolarHBondContact ND1-OH 3.48Å |
| 428 | H | 59.4 | Low | 70.1 | Confident | 130 Ų | 130 | 62.3 Ų | 62.3 | 60% | 0.602 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -101.2 | 2.9 | -171.2 | -63.8 | -71.5 | 0 | 0 | 0 | 113.7 | E424 Q430 | E424-H428 PolarHBondContact O-N 3.17Å; H428-Q430 PolarHBondContact O-N 3.47Å; H428-Q430 VanDerWaalsContact O-N 3.14Å |
| 429 | G | 54.5 | Low | 70 | Confident | 64 Ų | 64 | 62.4 Ų | 62.4 | 66% | 0.66 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 72.6 | 0.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | M425 | M425-G429 PolarHBondContact O-N 3.48Š|
| 430 | Q | 52.2 | Low | 70.1 | Confident | 143 Ų | 143 | 64.8 Ų | 64.8 | 67% | 0.668 | 33% | 0.326 | S | S | * | . | trans | -152.3 | 155.1 | -177.3 | -69.5 | -170.5 | -22.2 | 0 | 0 | 114.5 | H428 | H428-Q430 PolarHBondContact O-N 3.47Å; H428-Q430 VanDerWaalsContact O-N 3.14Å | ||
| 431 | L | 49.9 | Very low | 70.6 | Confident | 67 Ų | 67 | 65.6 Ų | 65.6 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 103.9 | 24.3 | 162.5 | -56.5 | 171 | 0 | 0 | 0 | 121.4 | L372 | L372-L431 HydrophobicContact CD2-CB 4.12Å; L372-L431 HydrophobicContact CD2-CD1 3.64Å; L372-L431 HydrophobicContact CD2-CD2 3.18Å; L372-L431 HydrophobicContact CD2-CG 3.78Å |
| 432 | L | 56.3 | Low | 71.3 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | trans | -122.9 | 156 | 152.1 | -55.4 | -179.5 | 0 | 0 | 0 | 110.3 | L373 L398 K421 M425 M434 | L373-L432 HydrophobicContact CD2-CD2 4.13Å; L398-L432 HydrophobicContact CB-CD1 4.29Å; L398-L432 HydrophobicContact CB-CD2 3.26Å; L398-L432 HydrophobicContact CB-CG 4.27Å; L398-L432 HydrophobicContact CG-CD2 4.46Å; K421-L432 HydrophobicContact CG-CD1 4.35Å; K421-L432 HydrophobicContact CG-CD2 4.43Å; M425-L432 HydrophobicContact CG-CB 4.45Å; M425-L432 HydrophobicContact CG-CD1 4.39Å; M425-L432 HydrophobicContact CG-CG 4.22Å; M425-L432 HydrophobicContact SD-CB 3.49Å; M425-L432 WeakPolarHBondContact SD-CB 3.4Å; M425-L432 HydrophobicContact SD-CD1 3.48Å; M425-L432 WeakPolarHBondContact SD-CD1 3.4Å; M425-L432 HydrophobicContact SD-CG 3.58Å; M425-L432 VanDerWaalsContact SD-CG 3.58Å; L432-M434 HydrophobicContact CB-CE 4.11Å; L432-M434 HydrophobicContact CD1-CE 3.31Å; L432-M434 HydrophobicContact CG-CE 4.31Å; L432-M434 PolarHBondContact O-N 3.39Å | ||
| 433 | R | 61.4 | Low | 71.7 | Confident | 190 Ų | 190 | 64.9 Ų | 64.9 | 72% | 0.717 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -73.7 | 1 | 176 | -95.1 | -172.4 | 179.4 | -175.2 | 0 | 113.8 | L398 T399 | L398-R433 PolarHBondContact O-N 2.95Å; T399-R433 HydrophobicContact CG2-CB 4.43Å |
| 434 | M | 71.9 | Confident | 72.2 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 5% | 0.054 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -81.5 | 136.9 | -178.5 | -65.3 | -174.2 | -59.2 | 0 | 0 | 111 | A403 L422 M425 L432 E438 V442 | A403-M434 HydrophobicContact CB-CE 4.25Å; A403-M434 HydrophobicContact CB-SD 3.69Å; L422-M434 HydrophobicContact CD2-CE 3.65Å; M425-M434 HydrophobicContact CE-CB 4.45Å; M425-M434 HydrophobicContact SD-CE 4.13Å; L432-M434 HydrophobicContact CB-CE 4.11Å; L432-M434 HydrophobicContact CD1-CE 3.31Å; L432-M434 HydrophobicContact CG-CE 4.31Å; L432-M434 PolarHBondContact O-N 3.39Å; M434-E438 WeakPolarHBondContact CA-OE2 3.35Å; M434-E438 HydrophobicContact CB-CB 3.93Å; M434-E438 HydrophobicContact CG-CB 4.33Å; M434-V442 HydrophobicContact SD-CG2 4.15Å |
| 435 | T | 76.7 | Confident | 73.4 | Confident | 59 Ų | 59 | 66.1 Ų | 66.1 | 36% | 0.362 | 33% | 0.333 | S | S | . | . | trans | -63 | 156.1 | 164.8 | 57.3 | 0 | 0 | 0 | 0 | 110.6 | Q437 E438 S439 | T435-Q437 PolarHBondContact O-N 2.91Å; T435-Q437 VanDerWaalsContact O-N 3.14Å; T435-E438 PolarHBondContact N-OE2 3.29Å; T435-E438 WeakPolarHBondContact O-CB 3.01Å; T435-E438 PolarHBondContact O-N 3Å; T435-E438 WeakPolarHBondContact OG1-CB 3.31Å; T435-E438 VanDerWaalsContact OG1-CG 3.23Å; T435-E438 WeakPolarHBondContact OG1-CG 3.38Å; T435-E438 PolarHBondContact OG1-N 2.98Å; T435-E438 PolarHBondContact OG1-OE2 2.78Å; T435-S439 PolarHBondContact O-N 3Å | ||
| 436 | P | 74.4 | Confident | 74.2 | Confident | 95 Ų | 95 | 64.8 Ų | 64.8 | 62% | 0.617 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -51.8 | -36.9 | 173.1 | -28 | 35.3 | 0 | 0 | 0 | 112.8 | S439 D440 | P436-S439 PolarHBondContact O-N 3.26Å; P436-D440 PolarHBondContact O-N 3.13Å |
| 437 | Q | 81.2 | Confident | 75 | Confident | 136 Ų | 136 | 62.6 Ų | 62.6 | 64% | 0.636 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.6 | -33.8 | 176.1 | -63.2 | 116.5 | -3.1 | 0 | 0 | 113.6 | T435 K441 | T435-Q437 PolarHBondContact O-N 2.91Å; T435-Q437 VanDerWaalsContact O-N 3.14Å; Q437-K441 VanDerWaalsContact O-CG 3.29Å; Q437-K441 WeakPolarHBondContact O-CG 3.29Å; Q437-K441 PolarHBondContact O-N 3.07Å; Q437-K441 VanDerWaalsContact O-N 3.17Å |
| 438 | E | 86 | Confident | 76.1 | Confident | 58 Ų | 58 | 66.8 Ų | 66.8 | 27% | 0.271 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -71.8 | -39.3 | 174.3 | -78.1 | 166.9 | 147.1 | 0 | 0 | 111.4 | Y400 M434 T435 K441 V442 | Y400-E438 HydrophobicContact CD2-CB 3.77Å; Y400-E438 HydrophobicContact CD2-CG 3.95Å; Y400-E438 HydrophobicContact CG-CB 4.35Å; Y400-E438 HydrophobicContact CG-CG 4.2Å; M434-E438 WeakPolarHBondContact CA-OE2 3.35Å; M434-E438 HydrophobicContact CB-CB 3.93Å; M434-E438 HydrophobicContact CG-CB 4.33Å; T435-E438 PolarHBondContact N-OE2 3.29Å; T435-E438 WeakPolarHBondContact O-CB 3.01Å; T435-E438 PolarHBondContact O-N 3Å; T435-E438 WeakPolarHBondContact OG1-CB 3.31Å; T435-E438 VanDerWaalsContact OG1-CG 3.23Å; T435-E438 WeakPolarHBondContact OG1-CG 3.38Å; T435-E438 PolarHBondContact OG1-N 2.98Å; T435-E438 PolarHBondContact OG1-OE2 2.78Å; E438-K441 WeakPolarHBondContact O-CB 3.32Å; E438-K441 PolarHBondContact O-N 2.78Å; E438-V442 WeakPolarHBondContact O-CG2 3.44Å; E438-V442 PolarHBondContact O-N 3.16Å; E438-V442 VanDerWaalsContact O-N 3.09Å |
| 439 | S | 81.6 | Confident | 77.4 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 173.1 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | L422 T435 P436 K441 V442 A443 | L422-S439 WeakPolarHBondContact CD2-OG 3.45Å; T435-S439 PolarHBondContact O-N 3Å; P436-S439 PolarHBondContact O-N 3.26Å; S439-K441 PolarHBondContact O-N 3.38Å; S439-V442 PolarHBondContact O-N 2.73Å; S439-V442 VanDerWaalsContact O-N 3.15Å; S439-A443 WeakPolarHBondContact O-CB 3.48Å; S439-A443 PolarHBondContact O-N 3.32Å |
| 440 | D | 84.1 | Confident | 78.9 | Confident | 50 Ų | 50 | 63.1 Ų | 63.1 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.1 | -33.7 | 176.1 | -75.1 | -24.8 | 0 | 0 | 0 | 111.9 | K426 P436 A444 | K426-D440 IonicContact NZ-OD1 2.69Å; K426-D440 PolarHBondContact NZ-OD1 3.1Å; K426-D440 VanDerWaalsContact NZ-OD1 3.08Å; P436-D440 PolarHBondContact O-N 3.13Å; D440-A444 VanDerWaalsContact O-CB 3.26Å; D440-A444 WeakPolarHBondContact O-CB 3.36Å; D440-A444 PolarHBondContact O-N 3.1Å |
| 441 | K | 88.3 | Confident | 80.3 | Confident | 125 Ų | 125 | 61 Ų | 61 | 54% | 0.543 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.9 | -44.6 | 175.1 | -78.7 | 172.9 | -175.9 | 176 | 0 | 112.8 | Y400 Q437 E438 S439 A443 A444 Y445 | Y400-K441 HydrophobicContact CE2-CB 4.07Å; Y400-K441 HydrophobicContact CE2-CD 4.47Å; Q437-K441 VanDerWaalsContact O-CG 3.29Å; Q437-K441 WeakPolarHBondContact O-CG 3.29Å; Q437-K441 PolarHBondContact O-N 3.07Å; Q437-K441 VanDerWaalsContact O-N 3.17Å; E438-K441 WeakPolarHBondContact O-CB 3.32Å; E438-K441 PolarHBondContact O-N 2.78Å; S439-K441 PolarHBondContact O-N 3.38Å; K441-A443 VanDerWaalsContact C-N 3.34Å; K441-A444 PolarHBondContact O-N 3.17Å; K441-Y445 WeakPolarHBondContact O-CB 3.3Å; K441-Y445 PolarHBondContact O-N 3.48Å |
| 442 | V | 87.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 177.4 | -176.3 | 0 | 0 | 0 | 0 | 110 | Y400 A403 M404 A407 L418 L422 M434 E438 S439 Y445 L446 | Y400-V442 HydrophobicContact CD2-CG2 3.76Å; Y400-V442 HydrophobicContact CE2-CG2 3.81Å; A403-V442 HydrophobicContact CB-CG1 4.16Å; A403-V442 HydrophobicContact CB-CG2 3.96Å; M404-V442 HydrophobicContact CG-CG2 4.25Å; M404-V442 HydrophobicContact SD-CG1 4.38Å; M404-V442 HydrophobicContact SD-CG2 4.04Å; A407-V442 HydrophobicContact CB-CG1 4.4Å; L418-V442 HydrophobicContact CD2-CG1 4.19Å; L422-V442 HydrophobicContact CD1-CB 4.11Å; L422-V442 HydrophobicContact CD1-CG1 3.71Å; L422-V442 HydrophobicContact CD2-CB 4.36Å; M434-V442 HydrophobicContact SD-CG2 4.15Å; E438-V442 WeakPolarHBondContact O-CG2 3.44Å; E438-V442 PolarHBondContact O-N 3.16Å; E438-V442 VanDerWaalsContact O-N 3.09Å; S439-V442 PolarHBondContact O-N 2.73Å; S439-V442 VanDerWaalsContact O-N 3.15Å; V442-Y445 WeakPolarHBondContact O-CB 3.35Å; V442-Y445 PolarHBondContact O-N 2.98Å; V442-L446 HydrophobicContact CG1-CD1 4.37Å; V442-L446 PolarHBondContact O-N 3.23Å |
| 443 | A | 88.2 | Confident | 83 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.2 | -45 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S439 K441 Y445 L446 Y447 L460 A463 | S439-A443 WeakPolarHBondContact O-CB 3.48Å; S439-A443 PolarHBondContact O-N 3.32Å; K441-A443 VanDerWaalsContact C-N 3.34Å; A443-Y445 VanDerWaalsContact C-N 3.29Å; A443-Y445 PolarHBondContact O-N 2.9Å; A443-L446 PolarHBondContact O-N 3.35Å; A443-Y447 WeakPolarHBondContact O-CB 3.39Å; A443-Y447 PolarHBondContact O-N 3.33Å; A443-L460 HydrophobicContact CB-CD1 4.43Å; A443-L460 WeakPolarHBondContact O-CD2 3.32Å; A443-A463 HydrophobicContact CB-CB 3.72Å; A443-A463 WeakPolarHBondContact CB-O 3.45Å |
| 444 | A | 88.4 | Confident | 83.6 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 20% | 0.198 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.7 | -37 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D440 K441 Q448 L468 | D440-A444 VanDerWaalsContact O-CB 3.26Å; D440-A444 WeakPolarHBondContact O-CB 3.36Å; D440-A444 PolarHBondContact O-N 3.1Å; K441-A444 PolarHBondContact O-N 3.17Å; A444-Q448 WeakPolarHBondContact O-CG 3.48Å; A444-Q448 PolarHBondContact O-N 2.82Å; A444-Q448 VanDerWaalsContact O-N 3.09Å; A444-L468 HydrophobicContact CB-CD1 3.99Å |
| 445 | Y | 91 | Very high | 83.7 | Confident | 73 Ų | 73 | 63.6 Ų | 63.6 | 29% | 0.286 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.1 | -47.7 | 176 | 178.8 | -101 | 0 | 0 | 0 | 112.3 | M404 A407 N408 K441 V442 A443 Y447 Q448 K449 | M404-Y445 HydrophobicContact CE-CD1 3.61Å; M404-Y445 HydrophobicContact CE-CD2 4Å; M404-Y445 HydrophobicContact CE-CE1 3.78Å; M404-Y445 HydrophobicContact CE-CE2 4.16Å; M404-Y445 HydrophobicContact CE-CG 3.73Å; M404-Y445 HydrophobicContact SD-CD1 4.12Å; M404-Y445 HydrophobicContact SD-CG 4.22Å; A407-Y445 HydrophobicContact CB-CD1 4Å; A407-Y445 HydrophobicContact CB-CE1 4.11Å; N408-Y445 PolarHBondContact OD1-OH 2.74Å; K441-Y445 WeakPolarHBondContact O-CB 3.3Å; K441-Y445 PolarHBondContact O-N 3.48Å; V442-Y445 WeakPolarHBondContact O-CB 3.35Å; V442-Y445 PolarHBondContact O-N 2.98Å; A443-Y445 VanDerWaalsContact C-N 3.29Å; A443-Y445 PolarHBondContact O-N 2.9Å; Y445-Y447 VanDerWaalsContact C-N 3.33Å; Y445-Y447 PolarHBondContact O-N 2.95Å; Y445-Q448 PolarHBondContact O-N 3.35Å; Y445-K449 HydrophobicContact CE1-CD 3.89Å; Y445-K449 WeakPolarHBondContact O-CB 3.19Å; Y445-K449 PolarHBondContact O-N 2.79Å |
| 446 | L | 88.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61 | -41.6 | 176.4 | -74.3 | 173.5 | 0 | 0 | 0 | 111.7 | A407 V415 L418 L422 V442 A443 Q448 K449 F450 L460 | A407-L446 HydrophobicContact CB-CD2 3.65Å; A407-L446 HydrophobicContact CB-CG 4.1Å; V415-L446 HydrophobicContact CG1-CD2 3.55Å; L418-L446 HydrophobicContact CD2-CD1 4.03Å; L418-L446 HydrophobicContact CG-CD1 4.29Å; L422-L446 HydrophobicContact CD1-CD1 3.8Å; V442-L446 HydrophobicContact CG1-CD1 4.37Å; V442-L446 PolarHBondContact O-N 3.23Å; A443-L446 PolarHBondContact O-N 3.35Å; L446-Q448 PolarHBondContact O-N 3.14Å; L446-K449 PolarHBondContact O-N 2.91Å; L446-F450 HydrophobicContact CD2-CD2 4.1Å; L446-F450 HydrophobicContact CD2-CE2 3.92Å; L446-F450 PolarHBondContact O-N 2.83Å; L446-L460 HydrophobicContact CB-CD1 3.9Å; L446-L460 HydrophobicContact CB-CD2 3.54Å; L446-L460 HydrophobicContact CB-CG 4.38Å; L446-L460 HydrophobicContact CD1-CD1 3.6Å; L446-L460 HydrophobicContact CG-CD1 4.41Å |
| 447 | Y | 88.6 | Confident | 84.2 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 176.4 | -177.2 | -94.4 | 0 | 0 | 0 | 112.6 | A443 Y445 E451 I457 L464 L468 F472 | A443-Y447 WeakPolarHBondContact O-CB 3.39Å; A443-Y447 PolarHBondContact O-N 3.33Å; Y445-Y447 VanDerWaalsContact C-N 3.33Å; Y445-Y447 PolarHBondContact O-N 2.95Å; Y447-E451 VanDerWaalsContact O-CA 3.24Å; Y447-E451 WeakPolarHBondContact O-CA 3.32Å; Y447-E451 WeakPolarHBondContact O-CB 3.24Å; Y447-E451 PolarHBondContact O-N 3.4Å; Y447-E451 VanDerWaalsContact O-N 3.15Å; Y447-I457 HydrophobicContact CD2-CD1 4.34Å; Y447-I457 HydrophobicContact CD2-CG1 4.32Å; Y447-I457 HydrophobicContact CD2-CG2 3.92Å; Y447-I457 HydrophobicContact CE2-CD1 4.29Å; Y447-I457 HydrophobicContact CE2-CG2 3.89Å; Y447-L464 HydrophobicContact CD2-CD1 3.76Å; Y447-L464 HydrophobicContact CD2-CD2 3.85Å; Y447-L464 HydrophobicContact CD2-CG 4.49Å; Y447-L464 HydrophobicContact CE2-CD1 4.09Å; Y447-L464 HydrophobicContact CG-CD2 3.94Å; Y447-L468 HydrophobicContact CD1-CD1 4.1Å; Y447-L468 HydrophobicContact CD1-CD2 4.08Å; Y447-L468 HydrophobicContact CE1-CD2 4Å; Y447-L468 HydrophobicContact CG-CD1 4.37Å; Y447-F472 HydrophobicContact CE2-CB 4.31Å; Y447-F472 HydrophobicContact CE2-CD2 4.43Å |
| 448 | Q | 87.3 | Confident | 83.8 | Confident | 142 Ų | 142 | 54.4 Ų | 54.4 | 66% | 0.664 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -70.2 | -40.9 | 177.1 | -75.8 | -179.3 | -7.2 | 0 | 0 | 112.3 | A444 Y445 L446 | A444-Q448 WeakPolarHBondContact O-CG 3.48Å; A444-Q448 PolarHBondContact O-N 2.82Å; A444-Q448 VanDerWaalsContact O-N 3.09Å; Y445-Q448 PolarHBondContact O-N 3.35Å; L446-Q448 PolarHBondContact O-N 3.14Å |
| 449 | K | 86.9 | Confident | 83.4 | Confident | 83 Ų | 83 | 53 Ų | 53 | 36% | 0.361 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.3 | -38.2 | -177.4 | -176.1 | 173.1 | 174.1 | -176.6 | 0 | 112.3 | A407 N408 Y445 L446 | A407-K449 PolarHBondContact O-NZ 3.05Å; N408-K449 PolarHBondContact OD1-NZ 2.79Å; Y445-K449 HydrophobicContact CE1-CD 3.89Å; Y445-K449 WeakPolarHBondContact O-CB 3.19Å; Y445-K449 PolarHBondContact O-N 2.79Å; L446-K449 PolarHBondContact O-N 2.91Å |
| 450 | F | 85.1 | Confident | 83.4 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 15% | 0.154 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 32.4 | -174.6 | -62.2 | -80.7 | 0 | 0 | 0 | 112.2 | V415 L446 N452 D453 L456 I457 | V415-F450 HydrophobicContact CB-CE2 4.46Å; V415-F450 HydrophobicContact CB-CZ 4.43Å; V415-F450 HydrophobicContact CG1-CD2 4.02Å; V415-F450 HydrophobicContact CG1-CE2 3.42Å; V415-F450 VanDerWaalsContact CG1-CE2 3.42Å; V415-F450 HydrophobicContact CG1-CZ 3.81Å; V415-F450 HydrophobicContact CG2-CE2 4.31Å; V415-F450 HydrophobicContact CG2-CZ 4.03Å; L446-F450 HydrophobicContact CD2-CD2 4.1Å; L446-F450 HydrophobicContact CD2-CE2 3.92Å; L446-F450 PolarHBondContact O-N 2.83Å; F450-N452 PolarHBondContact O-N 2.76Å; F450-D453 HydrophobicContact CB-CB 4.12Å; F450-D453 PolarHBondContact O-N 2.87Å; F450-L456 HydrophobicContact CB-CD2 3.39Å; F450-L456 HydrophobicContact CD1-CD2 4.06Å; F450-L456 HydrophobicContact CD2-CD2 3.35Å; F450-L456 HydrophobicContact CE2-CD2 4.1Å; F450-L456 HydrophobicContact CG-CD2 3.33Å; F450-I457 VanDerWaalsContact O-CD1 3.29Å; F450-I457 WeakPolarHBondContact O-CD1 3.19Å |
| 451 | E | 81.6 | Confident | 83.2 | Confident | 97 Ų | 97 | 50.6 Ų | 50.6 | 45% | 0.453 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -28.7 | -174.7 | -169.6 | 173.4 | -173.9 | 0 | 0 | 113.3 | Y447 I457 R475 | Y447-E451 VanDerWaalsContact O-CA 3.24Å; Y447-E451 WeakPolarHBondContact O-CA 3.32Å; Y447-E451 WeakPolarHBondContact O-CB 3.24Å; Y447-E451 PolarHBondContact O-N 3.4Å; Y447-E451 VanDerWaalsContact O-N 3.15Å; E451-I457 WeakPolarHBondContact O-CD1 3.26Å; E451-R475 PolarHBondContact O-NH1 2.81Å; E451-R475 PolarHBondContact O-NH2 3.49Å |
| 452 | N | 80.9 | Confident | 82.6 | Confident | 154 Ų | 154 | 46 Ų | 46 | 82% | 0.824 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -8.3 | -179 | -61.8 | -41.2 | 0 | 0 | 0 | 115 | F450 D454 | F450-N452 PolarHBondContact O-N 2.76Å; N452-D454 PolarHBondContact O-N 2.91Å |
| 453 | D | 82.6 | Confident | 82.2 | Confident | 44 Ų | 44 | 46 Ų | 46 | 24% | 0.235 | 22% | 0.224 | C | C | . | . | trans | -90.3 | 94.4 | 176.8 | -167.3 | -34.9 | 0 | 0 | 0 | 108.8 | F450 D455 L456 I457 | F450-D453 HydrophobicContact CB-CB 4.12Å; F450-D453 PolarHBondContact O-N 2.87Å; D453-D455 VanDerWaalsContact C-N 3.32Å; D453-D455 PolarHBondContact O-N 2.91Å; D453-D455 PolarHBondContact OD1-N 3.25Å; D453-L456 HydrophobicContact CB-CB 4.06Å; D453-L456 PolarHBondContact OD1-N 3.18Å; D453-L456 VanDerWaalsContact OD1-N 3.08Å; D453-I457 WeakPolarHBondContact O-CD1 3.47Å; D453-I457 VanDerWaalsContact O-CG1 3.26Å; D453-I457 WeakPolarHBondContact O-CG1 3.47Å; D453-I457 PolarHBondContact O-N 3.07Å; D453-I457 VanDerWaalsContact O-N 3.14Å | ||
| 454 | D | 74.2 | Confident | 82 | Confident | 32 Ų | 32 | 46 Ų | 46 | 17% | 0.171 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | -177.2 | -78.2 | -16.4 | 0 | 0 | 0 | 110.9 | N452 L456 I457 R458 R475 K479 | N452-D454 PolarHBondContact O-N 2.91Å; D454-L456 PolarHBondContact O-N 3.2Å; D454-I457 PolarHBondContact O-N 3.41Å; D454-I457 VanDerWaalsContact O-N 3.16Å; D454-R458 WeakPolarHBondContact O-CG 3.16Å; D454-R458 PolarHBondContact O-N 3.03Å; D454-R475 IonicContact OD1-NH2 3.41Å; D454-R475 PolarHBondContact OD1-NH2 3.17Å; D454-K479 VanDerWaalsContact CG-NZ 3.31Å; D454-K479 IonicContact OD1-NZ 2.7Å; D454-K479 PolarHBondContact OD1-NZ 2.87Å; D454-K479 WeakPolarHBondContact OD2-CE 3.33Å; D454-K479 IonicContact OD2-NZ 3.44Å; D454-K479 PolarHBondContact OD2-NZ 2.94Å |
| 455 | D | 73.9 | Confident | 81.8 | Confident | 113 Ų | 113 | 46.2 Ų | 46.2 | 60% | 0.604 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -63.8 | -43.9 | -174.4 | -68.9 | -32.1 | 0 | 0 | 0 | 111.7 | D453 I457 R458 V459 | D453-D455 VanDerWaalsContact C-N 3.32Å; D453-D455 PolarHBondContact O-N 2.91Å; D453-D455 PolarHBondContact OD1-N 3.25Å; D455-I457 PolarHBondContact O-N 2.92Å; D455-R458 WeakPolarHBondContact O-CB 3.45Å; D455-R458 PolarHBondContact O-N 2.9Å; D455-V459 PolarHBondContact O-N 3.37Å |
| 456 | L | 80 | Confident | 81.2 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 174.2 | -166.8 | 87.3 | 0 | 0 | 0 | 111.6 | V415 T416 F450 D453 D454 R458 V459 L460 | V415-L456 HydrophobicContact CB-CD1 4.2Å; V415-L456 HydrophobicContact CG1-CD1 3.74Å; V415-L456 HydrophobicContact CG1-CD2 3.7Å; V415-L456 HydrophobicContact CG1-CG 4.34Å; T416-L456 WeakPolarHBondContact OG1-CD1 3.04Å; F450-L456 HydrophobicContact CB-CD2 3.39Å; F450-L456 HydrophobicContact CD1-CD2 4.06Å; F450-L456 HydrophobicContact CD2-CD2 3.35Å; F450-L456 HydrophobicContact CE2-CD2 4.1Å; F450-L456 HydrophobicContact CG-CD2 3.33Å; D453-L456 HydrophobicContact CB-CB 4.06Å; D453-L456 PolarHBondContact OD1-N 3.18Å; D453-L456 VanDerWaalsContact OD1-N 3.08Å; D454-L456 PolarHBondContact O-N 3.2Å; L456-R458 VanDerWaalsContact C-N 3.31Å; L456-R458 PolarHBondContact O-N 2.91Å; L456-V459 PolarHBondContact O-N 2.62Å; L456-L460 WeakPolarHBondContact O-CB 2.85Å; L456-L460 PolarHBondContact O-N 2.82Å |
| 457 | I | 81 | Confident | 81 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.4 | -32.8 | 179.4 | -64.8 | 168.1 | 0 | 0 | 0 | 111.4 | Y447 F450 E451 D453 D454 D455 V459 L460 F461 F472 R475 | Y447-I457 HydrophobicContact CD2-CD1 4.34Å; Y447-I457 HydrophobicContact CD2-CG1 4.32Å; Y447-I457 HydrophobicContact CD2-CG2 3.92Å; Y447-I457 HydrophobicContact CE2-CD1 4.29Å; Y447-I457 HydrophobicContact CE2-CG2 3.89Å; F450-I457 VanDerWaalsContact O-CD1 3.29Å; F450-I457 WeakPolarHBondContact O-CD1 3.19Å; E451-I457 WeakPolarHBondContact O-CD1 3.26Å; D453-I457 WeakPolarHBondContact O-CD1 3.47Å; D453-I457 VanDerWaalsContact O-CG1 3.26Å; D453-I457 WeakPolarHBondContact O-CG1 3.47Å; D453-I457 PolarHBondContact O-N 3.07Å; D453-I457 VanDerWaalsContact O-N 3.14Å; D454-I457 PolarHBondContact O-N 3.41Å; D454-I457 VanDerWaalsContact O-N 3.16Å; D455-I457 PolarHBondContact O-N 2.92Å; I457-V459 VanDerWaalsContact C-N 3.3Å; I457-V459 PolarHBondContact O-N 3.12Å; I457-L460 CarbonylContact O-C 3.48Å; I457-L460 PolarHBondContact O-N 3.26Å; I457-F461 WeakPolarHBondContact O-CB 3.34Å; I457-F461 PolarHBondContact O-N 3.32Å; I457-F472 HydrophobicContact CB-CD2 4.47Å; I457-F472 HydrophobicContact CB-CE2 4Å; I457-F472 HydrophobicContact CG2-CD2 3.33Å; I457-F472 HydrophobicContact CG2-CE2 3.23Å; I457-F472 HydrophobicContact CG2-CG 4.12Å; I457-F472 HydrophobicContact CG2-CZ 3.92Å; I457-R475 VanDerWaalsContact CD1-NH2 3.26Å |
| 458 | R | 74.2 | Confident | 80.9 | Confident | 95 Ų | 95 | 52.5 Ų | 52.5 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 173.4 | -63.1 | -168.7 | 178 | -173.8 | -2.9 | 110.9 | D454 D455 L456 F461 Y483 | D454-R458 WeakPolarHBondContact O-CG 3.16Å; D454-R458 PolarHBondContact O-N 3.03Å; D455-R458 WeakPolarHBondContact O-CB 3.45Å; D455-R458 PolarHBondContact O-N 2.9Å; L456-R458 VanDerWaalsContact C-N 3.31Å; L456-R458 PolarHBondContact O-N 2.91Å; R458-F461 WeakPolarHBondContact O-CB 3.35Å; R458-F461 PolarHBondContact O-N 3.18Å; R458-Y483 WeakPolarHBondContact CB-OH 3.47Å; R458-Y483 VanDerWaalsContact CD-CE2 3.46Å; R458-Y483 VanDerWaalsContact CD-OH 3.31Å; R458-Y483 WeakPolarHBondContact CD-OH 3.22Å; R458-Y483 HydrophobicContact CG-CE2 4.06Å; R458-Y483 WeakPolarHBondContact CG-OH 3.46Å; R458-Y483 VanDerWaalsContact CZ-CD2 3.48Å; R458-Y483 VanDerWaalsContact NH2-CD2 3.33Å |
| 459 | V | 77.1 | Confident | 80.7 | Confident | 27 Ų | 27 | 45.7 Ų | 45.7 | 16% | 0.164 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.8 | -41.5 | 177.1 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | T416 A419 F420 D455 L456 I457 F461 | T416-V459 HydrophobicContact CG2-CG2 4.31Å; A419-V459 HydrophobicContact CB-CB 4.22Å; A419-V459 HydrophobicContact CB-CG1 3.72Å; F420-V459 HydrophobicContact CB-CG1 4Å; F420-V459 HydrophobicContact CD1-CG1 3.84Å; F420-V459 HydrophobicContact CD2-CB 4.41Å; F420-V459 HydrophobicContact CD2-CG1 3.33Å; F420-V459 HydrophobicContact CD2-CG2 4.17Å; F420-V459 HydrophobicContact CE1-CG1 4.1Å; F420-V459 HydrophobicContact CE2-CB 4.29Å; F420-V459 HydrophobicContact CE2-CG1 3.62Å; F420-V459 HydrophobicContact CE2-CG2 3.59Å; F420-V459 HydrophobicContact CG-CG1 3.44Å; F420-V459 VanDerWaalsContact CG-CG1 3.44Å; F420-V459 HydrophobicContact CZ-CG1 3.99Å; F420-V459 HydrophobicContact CZ-CG2 3.83Å; F420-V459 VanDerWaalsContact N-CG1 3.32Å; D455-V459 PolarHBondContact O-N 3.37Å; L456-V459 PolarHBondContact O-N 2.62Å; I457-V459 VanDerWaalsContact C-N 3.3Å; I457-V459 PolarHBondContact O-N 3.12Å; V459-F461 VanDerWaalsContact C-N 3.3Å; V459-F461 PolarHBondContact O-N 3.26Å |
| 460 | L | 81.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -73.8 | -18.1 | -178.1 | -162.2 | 73.9 | 0 | 0 | 0 | 113.7 | A419 L422 A443 L446 L456 I457 L462 A463 L464 | A419-L460 HydrophobicContact CB-CB 4.19Å; A419-L460 HydrophobicContact CB-CD1 3.68Å; L422-L460 HydrophobicContact CD1-CD1 4.3Å; A443-L460 HydrophobicContact CB-CD1 4.43Å; A443-L460 WeakPolarHBondContact O-CD2 3.32Å; L446-L460 HydrophobicContact CB-CD1 3.9Å; L446-L460 HydrophobicContact CB-CD2 3.54Å; L446-L460 HydrophobicContact CB-CG 4.38Å; L446-L460 HydrophobicContact CD1-CD1 3.6Å; L446-L460 HydrophobicContact CG-CD1 4.41Å; L456-L460 WeakPolarHBondContact O-CB 2.85Å; L456-L460 PolarHBondContact O-N 2.82Å; I457-L460 CarbonylContact O-C 3.48Å; I457-L460 PolarHBondContact O-N 3.26Å; L460-L462 PolarHBondContact O-N 2.79Å; L460-L462 VanDerWaalsContact O-N 3.11Å; L460-A463 HydrophobicContact CD1-CB 4.43Å; L460-A463 WeakPolarHBondContact O-CA 3.3Å; L460-A463 WeakPolarHBondContact O-CB 3.3Å; L460-A463 PolarHBondContact O-N 3.3Å; L460-L464 HydrophobicContact CD2-CD2 3.97Å; L460-L464 HydrophobicContact CG-CD2 4.21Å; L460-L464 PolarHBondContact O-N 2.77Å |
| 461 | F | 80.6 | Confident | 80.6 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -53.4 | -38.3 | -170.1 | -178.8 | -104.4 | 0 | 0 | 0 | 113.4 | I457 R458 V459 A463 L464 Q469 F472 V473 M489 I492 | I457-F461 WeakPolarHBondContact O-CB 3.34Å; I457-F461 PolarHBondContact O-N 3.32Å; R458-F461 WeakPolarHBondContact O-CB 3.35Å; R458-F461 PolarHBondContact O-N 3.18Å; V459-F461 VanDerWaalsContact C-N 3.3Å; V459-F461 PolarHBondContact O-N 3.26Å; F461-A463 VanDerWaalsContact C-N 3.3Å; F461-A463 PolarHBondContact O-N 2.99Å; F461-L464 HydrophobicContact CD2-CD1 4.19Å; F461-L464 PolarHBondContact O-N 2.71Å; F461-Q469 HydrophobicContact CD2-CG 4.08Å; F461-Q469 HydrophobicContact CE1-CG 4.3Å; F461-Q469 HydrophobicContact CE2-CB 3.83Å; F461-Q469 HydrophobicContact CE2-CG 3.57Å; F461-Q469 HydrophobicContact CZ-CB 4.03Å; F461-Q469 HydrophobicContact CZ-CG 3.69Å; F461-Q469 PolarHBondContact O-NE2 3.23Å; F461-F472 HydrophobicContact CD2-CB 4.27Å; F461-F472 AromaticContact CD2-CD1 3.21Å; F461-F472 HydrophobicContact CD2-CD1 3.21Å; F461-F472 AromaticContact CD2-CE1 3.67Å; F461-F472 HydrophobicContact CD2-CE1 3.67Å; F461-F472 AromaticContact CD2-CG 3.97Å; F461-F472 HydrophobicContact CD2-CG 3.97Å; F461-F472 HydrophobicContact CE2-CB 4.22Å; F461-F472 AromaticContact CE2-CD1 3.4Å; F461-F472 HydrophobicContact CE2-CD1 3.4Å; F461-F472 HydrophobicContact CE2-CE1 4.13Å; F461-F472 HydrophobicContact CE2-CG 4.2Å; F461-F472 HydrophobicContact CG-CD1 4.21Å; F461-F472 HydrophobicContact CG-CE1 4.25Å; F461-F472 HydrophobicContact CZ-CD1 4.49Å; F461-V473 HydrophobicContact CE2-CG2 4.08Å; F461-V473 HydrophobicContact CZ-CG2 3.96Å; F461-M489 HydrophobicContact CD1-SD 4.19Å; F461-M489 HydrophobicContact CE1-CE 4.44Å; F461-M489 HydrophobicContact CE1-SD 4.16Å; F461-M489 HydrophobicContact CZ-CE 4.46Å; F461-I492 HydrophobicContact CE1-CB 4.11Å; F461-I492 HydrophobicContact CE1-CG1 3.45Å; F461-I492 VanDerWaalsContact CE1-CG1 3.45Å; F461-I492 HydrophobicContact CZ-CB 4.28Å; F461-I492 HydrophobicContact CZ-CG1 3.68Å; F461-I492 HydrophobicContact CZ-CG2 4.28Å |
| 462 | L | 74.6 | Confident | 80.7 | Confident | 29 Ų | 29 | 41.9 Ų | 41.9 | 15% | 0.152 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -59.1 | -35.5 | 174.1 | -111.1 | 167.5 | 0 | 0 | 0 | 113.8 | A423 K426 L460 V491 Y519 | A423-L462 HydrophobicContact CB-CB 3.35Å; A423-L462 HydrophobicContact CB-CD1 3.75Å; A423-L462 HydrophobicContact CB-CG 4.15Å; K426-L462 VanDerWaalsContact CD-O 3.28Å; K426-L462 WeakPolarHBondContact CD-O 3.49Å; L460-L462 PolarHBondContact O-N 2.79Å; L460-L462 VanDerWaalsContact O-N 3.11Å; L462-V491 HydrophobicContact CD1-CB 4.17Å; L462-V491 HydrophobicContact CD1-CG1 3.77Å; L462-V491 HydrophobicContact CD1-CG2 4.11Å; L462-V491 HydrophobicContact CD2-CB 3.59Å; L462-V491 HydrophobicContact CD2-CG1 3.04Å; L462-V491 HydrophobicContact CD2-CG2 4.44Å; L462-V491 HydrophobicContact CG-CB 3.51Å; L462-V491 HydrophobicContact CG-CG1 3.38Å; L462-V491 HydrophobicContact CG-CG2 3.87Å; L462-Y519 HydrophobicContact CD2-CE2 3.96Å; L462-Y519 WeakPolarHBondContact CD2-OH 3.42Å |
| 463 | A | 80.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -85.8 | -15.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | L422 K426 A443 L460 F461 | L422-A463 HydrophobicContact CB-CB 3.69Å; K426-A463 PolarHBondContact NZ-O 2.73Å; A443-A463 HydrophobicContact CB-CB 3.72Å; A443-A463 WeakPolarHBondContact CB-O 3.45Å; L460-A463 HydrophobicContact CD1-CB 4.43Å; L460-A463 WeakPolarHBondContact O-CA 3.3Å; L460-A463 WeakPolarHBondContact O-CB 3.3Å; L460-A463 PolarHBondContact O-N 3.3Å; F461-A463 VanDerWaalsContact C-N 3.3Å; F461-A463 PolarHBondContact O-N 2.99Å |
| 464 | L | 84.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -68.4 | 145.4 | -174.1 | -64.9 | 177.9 | 0 | 0 | 0 | 112.7 | K426 Y447 L460 F461 L468 Q469 H493 | K426-L464 PolarHBondContact NZ-O 2.85Å; Y447-L464 HydrophobicContact CD2-CD1 3.76Å; Y447-L464 HydrophobicContact CD2-CD2 3.85Å; Y447-L464 HydrophobicContact CD2-CG 4.49Å; Y447-L464 HydrophobicContact CE2-CD1 4.09Å; Y447-L464 HydrophobicContact CG-CD2 3.94Å; L460-L464 HydrophobicContact CD2-CD2 3.97Å; L460-L464 HydrophobicContact CG-CD2 4.21Å; L460-L464 PolarHBondContact O-N 2.77Å; F461-L464 HydrophobicContact CD2-CD1 4.19Å; F461-L464 PolarHBondContact O-N 2.71Å; L464-L468 HydrophobicContact CB-CB 4.19Å; L464-L468 HydrophobicContact CD1-CB 4.36Å; L464-L468 HydrophobicContact CD2-CB 4.33Å; L464-L468 HydrophobicContact CD2-CD1 4.34Å; L464-Q469 HydrophobicContact CB-CG 3.97Å; L464-H493 PolarHBondContact O-CE1 3.26Å; L464-H493 PolarHBondContact O-NE2 3.49Å |
| 465 | P | 82.4 | Confident | 81.1 | Confident | 29 Ų | 29 | 38.3 Ų | 38.3 | 19% | 0.188 | 19% | 0.188 | C | C | . | . | trans | -67.7 | 156 | 166.4 | 25.3 | -31.5 | 0 | 0 | 0 | 112.1 | N467 L468 Q469 | P465-N467 PolarHBondContact O-N 2.83Å; P465-L468 HydrophobicContact CG-CB 4.37Å; P465-L468 HydrophobicContact CG-CD1 3.93Å; P465-L468 HydrophobicContact CG-CG 4.14Å; P465-L468 PolarHBondContact O-N 3.12Å; P465-Q469 PolarHBondContact O-N 3.15Å | ||
| 466 | D | 80.2 | Confident | 81.3 | Confident | 89 Ų | 89 | 33 Ų | 33 | 48% | 0.476 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -50.9 | -36.9 | -170.3 | -73.1 | -15.8 | 0 | 0 | 0 | 115.1 | F470 H493 S494 | D466-F470 PolarHBondContact O-N 2.63Å; D466-F470 VanDerWaalsContact O-N 3.1Å; D466-H493 IonicContact OD1-CE1 2.7Å; D466-H493 PolarHBondContact OD1-CE1 3.35Å; D466-H493 IonicContact OD1-CG 3.55Å; D466-H493 IonicContact OD1-ND1 3.5Å; D466-H493 PolarHBondContact OD1-ND1 2.92Å; D466-S494 WeakPolarHBondContact O-CB 3.2Å; D466-S494 PolarHBondContact O-OG 3.15Å |
| 467 | N | 84 | Confident | 81 | Confident | 102 Ų | 102 | 33.6 Ų | 33.6 | 55% | 0.545 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -69.3 | -38 | 179.3 | 62.3 | -27.2 | 0 | 0 | 0 | 112.5 | P465 N471 | P465-N467 PolarHBondContact O-N 2.83Å; N467-N471 PolarHBondContact O-N 2.81Å; N467-N471 PolarHBondContact O-ND2 3.13Å |
| 468 | L | 85.8 | Confident | 81 | Confident | 26 Ų | 26 | 42 Ų | 42 | 14% | 0.136 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -77.1 | -36.2 | 177.2 | -65.9 | -176.6 | 0 | 0 | 0 | 111.3 | A444 Y447 L464 P465 F470 N471 F472 | A444-L468 HydrophobicContact CB-CD1 3.99Å; Y447-L468 HydrophobicContact CD1-CD1 4.1Å; Y447-L468 HydrophobicContact CD1-CD2 4.08Å; Y447-L468 HydrophobicContact CE1-CD2 4Å; Y447-L468 HydrophobicContact CG-CD1 4.37Å; L464-L468 HydrophobicContact CB-CB 4.19Å; L464-L468 HydrophobicContact CD1-CB 4.36Å; L464-L468 HydrophobicContact CD2-CB 4.33Å; L464-L468 HydrophobicContact CD2-CD1 4.34Å; P465-L468 HydrophobicContact CG-CB 4.37Å; P465-L468 HydrophobicContact CG-CD1 3.93Å; P465-L468 HydrophobicContact CG-CG 4.14Å; P465-L468 PolarHBondContact O-N 3.12Å; L468-F470 VanDerWaalsContact C-N 3.33Å; L468-F470 PolarHBondContact O-N 2.82Å; L468-N471 PolarHBondContact O-N 2.78Å; L468-F472 PolarHBondContact O-N 2.73Å |
| 469 | Q | 83.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57 | -46.3 | 169.2 | -84.7 | -157.1 | -9.9 | 0 | 0 | 111.4 | F461 L464 P465 N471 F472 V473 V491 H493 S494 | F461-Q469 HydrophobicContact CD2-CG 4.08Å; F461-Q469 HydrophobicContact CE1-CG 4.3Å; F461-Q469 HydrophobicContact CE2-CB 3.83Å; F461-Q469 HydrophobicContact CE2-CG 3.57Å; F461-Q469 HydrophobicContact CZ-CB 4.03Å; F461-Q469 HydrophobicContact CZ-CG 3.69Å; F461-Q469 PolarHBondContact O-NE2 3.23Å; L464-Q469 HydrophobicContact CB-CG 3.97Å; P465-Q469 PolarHBondContact O-N 3.15Å; Q469-N471 VanDerWaalsContact C-N 3.35Å; Q469-N471 PolarHBondContact O-N 2.81Å; Q469-F472 PolarHBondContact O-N 3.05Å; Q469-V473 VanDerWaalsContact O-CG2 3.28Å; Q469-V473 WeakPolarHBondContact O-CG2 3.48Å; Q469-V473 PolarHBondContact O-N 3.23Å; Q469-V491 PolarHBondContact NE2-O 3.07Å; Q469-H493 PolarHBondContact NE2-CD2 3.33Å; Q469-H493 VanDerWaalsContact NE2-CD2 3.35Å; Q469-H493 PolarHBondContact NE2-NE2 3.02Å; Q469-S494 VanDerWaalsContact OE1-N 3.08Å |
| 470 | F | 85.1 | Confident | 80.9 | Confident | 57 Ų | 57 | 44.5 Ų | 44.5 | 25% | 0.25 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.1 | -42.7 | 177.4 | 180 | -102.7 | 0 | 0 | 0 | 112.8 | D466 L468 V473 K474 A496 A497 | D466-F470 PolarHBondContact O-N 2.63Å; D466-F470 VanDerWaalsContact O-N 3.1Å; L468-F470 VanDerWaalsContact C-N 3.33Å; L468-F470 PolarHBondContact O-N 2.82Å; F470-V473 PolarHBondContact O-N 3.17Å; F470-K474 WeakPolarHBondContact O-CB 3.39Å; F470-K474 PolarHBondContact O-N 3.25Å; F470-A496 HydrophobicContact CD2-CB 3.67Å; F470-A496 HydrophobicContact CE2-CB 3.99Å; F470-A496 HydrophobicContact CG-CB 4.36Å; F470-A497 HydrophobicContact CD2-CB 4.36Å |
| 471 | N | 85 | Confident | 80.3 | Confident | 78 Ų | 78 | 47.7 Ų | 47.7 | 42% | 0.417 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 177.5 | -74.3 | -23.6 | 0 | 0 | 0 | 112.1 | N467 L468 Q469 K474 R475 | N467-N471 PolarHBondContact O-N 2.81Å; N467-N471 PolarHBondContact O-ND2 3.13Å; L468-N471 PolarHBondContact O-N 2.78Å; Q469-N471 VanDerWaalsContact C-N 3.35Å; Q469-N471 PolarHBondContact O-N 2.81Å; N471-K474 PolarHBondContact O-N 2.79Å; N471-R475 WeakPolarHBondContact O-CB 3.32Å; N471-R475 PolarHBondContact O-N 3.09Å |
| 472 | F | 83.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 174.9 | 179.5 | -103.7 | 0 | 0 | 0 | 111.6 | Y447 I457 F461 L468 Q469 K474 R475 M476 Y483 | Y447-F472 HydrophobicContact CE2-CB 4.31Å; Y447-F472 HydrophobicContact CE2-CD2 4.43Å; I457-F472 HydrophobicContact CB-CD2 4.47Å; I457-F472 HydrophobicContact CB-CE2 4Å; I457-F472 HydrophobicContact CG2-CD2 3.33Å; I457-F472 HydrophobicContact CG2-CE2 3.23Å; I457-F472 HydrophobicContact CG2-CG 4.12Å; I457-F472 HydrophobicContact CG2-CZ 3.92Å; F461-F472 HydrophobicContact CD2-CB 4.27Å; F461-F472 AromaticContact CD2-CD1 3.21Å; F461-F472 HydrophobicContact CD2-CD1 3.21Å; F461-F472 AromaticContact CD2-CE1 3.67Å; F461-F472 HydrophobicContact CD2-CE1 3.67Å; F461-F472 AromaticContact CD2-CG 3.97Å; F461-F472 HydrophobicContact CD2-CG 3.97Å; F461-F472 HydrophobicContact CE2-CB 4.22Å; F461-F472 AromaticContact CE2-CD1 3.4Å; F461-F472 HydrophobicContact CE2-CD1 3.4Å; F461-F472 HydrophobicContact CE2-CE1 4.13Å; F461-F472 HydrophobicContact CE2-CG 4.2Å; F461-F472 HydrophobicContact CG-CD1 4.21Å; F461-F472 HydrophobicContact CG-CE1 4.25Å; F461-F472 HydrophobicContact CZ-CD1 4.49Å; L468-F472 PolarHBondContact O-N 2.73Å; Q469-F472 PolarHBondContact O-N 3.05Å; F472-K474 VanDerWaalsContact C-N 3.33Å; F472-K474 PolarHBondContact O-N 2.92Å; F472-R475 WeakPolarHBondContact O-CA 3.45Å; F472-R475 WeakPolarHBondContact O-CB 3.13Å; F472-R475 PolarHBondContact O-N 2.78Å; F472-M476 HydrophobicContact CD1-CG 4.02Å; F472-M476 HydrophobicContact CD2-CG 4.01Å; F472-M476 HydrophobicContact CE1-CG 3.61Å; F472-M476 HydrophobicContact CE2-CG 3.53Å; F472-M476 HydrophobicContact CE2-SD 3.94Å; F472-M476 HydrophobicContact CG-CG 4.26Å; F472-M476 HydrophobicContact CZ-CE 4.45Å; F472-M476 HydrophobicContact CZ-CG 3.35Å; F472-M476 HydrophobicContact CZ-SD 3.96Å; F472-M476 PolarHBondContact O-N 3.07Å; F472-Y483 AromaticContact CE1-CE1 3.79Å; F472-Y483 HydrophobicContact CE1-CE1 3.79Å; F472-Y483 HydrophobicContact CZ-CE1 4.05Å |
| 473 | V | 79.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.5 | -45.9 | 176.2 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | F461 Q469 F470 R475 M476 E477 F484 A497 L501 | F461-V473 HydrophobicContact CE2-CG2 4.08Å; F461-V473 HydrophobicContact CZ-CG2 3.96Å; Q469-V473 VanDerWaalsContact O-CG2 3.28Å; Q469-V473 WeakPolarHBondContact O-CG2 3.48Å; Q469-V473 PolarHBondContact O-N 3.23Å; F470-V473 PolarHBondContact O-N 3.17Å; V473-R475 VanDerWaalsContact C-N 3.25Å; V473-R475 PolarHBondContact O-N 2.87Å; V473-M476 PolarHBondContact O-N 3.45Å; V473-E477 WeakPolarHBondContact O-CB 3.21Å; V473-E477 PolarHBondContact O-N 3.11Å; V473-F484 HydrophobicContact CB-CE1 4.09Å; V473-F484 HydrophobicContact CB-CZ 4.15Å; V473-F484 HydrophobicContact CG1-CE1 3.77Å; V473-F484 HydrophobicContact CG1-CZ 3.79Å; V473-F484 HydrophobicContact CG2-CE1 3.81Å; V473-F484 HydrophobicContact CG2-CZ 4.35Å; V473-F484 WeakPolarHBondContact O-CZ 3.49Å; V473-A497 HydrophobicContact CB-CB 4.02Å; V473-A497 HydrophobicContact CG1-CB 4.17Å; V473-A497 HydrophobicContact CG2-CB 3.7Å; V473-L501 HydrophobicContact CG1-CD1 4.13Å; V473-L501 HydrophobicContact CG1-CD2 3.99Å; V473-L501 HydrophobicContact CG1-CG 3.91Å |
| 474 | K | 83.3 | Confident | 78.7 | Confident | 94 Ų | 94 | 50 Ų | 50 | 41% | 0.409 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.2 | -31 | 176.3 | -172.6 | 179.9 | 178.4 | -176.7 | 0 | 113 | F470 N471 F472 | F470-K474 WeakPolarHBondContact O-CB 3.39Å; F470-K474 PolarHBondContact O-N 3.25Å; N471-K474 PolarHBondContact O-N 2.79Å; F472-K474 VanDerWaalsContact C-N 3.33Å; F472-K474 PolarHBondContact O-N 2.92Å |
| 475 | R | 83 | Confident | 77.6 | Confident | 60 Ų | 60 | 51.5 Ų | 51.5 | 23% | 0.226 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -76.6 | -50.1 | 177.2 | -169.3 | -177.2 | 77.1 | -178.7 | 15.6 | 111.6 | E451 D454 I457 N471 F472 V473 E477 K478 K479 | E451-R475 PolarHBondContact O-NH1 2.81Å; E451-R475 PolarHBondContact O-NH2 3.49Å; D454-R475 IonicContact OD1-NH2 3.41Å; D454-R475 PolarHBondContact OD1-NH2 3.17Å; I457-R475 VanDerWaalsContact CD1-NH2 3.26Å; N471-R475 WeakPolarHBondContact O-CB 3.32Å; N471-R475 PolarHBondContact O-N 3.09Å; F472-R475 WeakPolarHBondContact O-CA 3.45Å; F472-R475 WeakPolarHBondContact O-CB 3.13Å; F472-R475 PolarHBondContact O-N 2.78Å; V473-R475 VanDerWaalsContact C-N 3.25Å; V473-R475 PolarHBondContact O-N 2.87Å; R475-E477 VanDerWaalsContact C-N 3.32Å; R475-E477 PolarHBondContact O-N 2.91Å; R475-K478 PolarHBondContact O-N 3.37Å; R475-K478 VanDerWaalsContact O-N 3.13Å; R475-K479 PolarHBondContact O-N 3.4Å |
| 476 | M | 77.3 | Confident | 76.4 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.5 | -33.4 | 179.3 | -69.5 | -56.8 | -75.8 | 0 | 0 | 112 | F472 V473 K478 K479 S480 Y483 F484 | F472-M476 HydrophobicContact CD1-CG 4.02Å; F472-M476 HydrophobicContact CD2-CG 4.01Å; F472-M476 HydrophobicContact CE1-CG 3.61Å; F472-M476 HydrophobicContact CE2-CG 3.53Å; F472-M476 HydrophobicContact CE2-SD 3.94Å; F472-M476 HydrophobicContact CG-CG 4.26Å; F472-M476 HydrophobicContact CZ-CE 4.45Å; F472-M476 HydrophobicContact CZ-CG 3.35Å; F472-M476 HydrophobicContact CZ-SD 3.96Å; F472-M476 PolarHBondContact O-N 3.07Å; V473-M476 PolarHBondContact O-N 3.45Å; M476-K478 PolarHBondContact O-N 3Å; M476-K479 PolarHBondContact O-N 2.77Å; M476-K479 VanDerWaalsContact O-N 3.07Å; M476-S480 CarbonylContact O-C 3.19Å; M476-S480 VanDerWaalsContact O-C 3.31Å; M476-S480 PolarHBondContact O-N 3.34Å; M476-Y483 HydrophobicContact CB-CD1 3.84Å; M476-Y483 HydrophobicContact CB-CE1 4.47Å; M476-Y483 HydrophobicContact CE-CD1 3.44Å; M476-Y483 VanDerWaalsContact CE-CD1 3.44Å; M476-Y483 HydrophobicContact CE-CD2 3.69Å; M476-Y483 HydrophobicContact CE-CE1 3.79Å; M476-Y483 HydrophobicContact CE-CE2 4.1Å; M476-Y483 HydrophobicContact CE-CG 3.38Å; M476-Y483 HydrophobicContact CG-CD1 3.93Å; M476-Y483 HydrophobicContact CG-CE1 4.12Å; M476-F484 HydrophobicContact CB-CE2 3.99Å; M476-F484 HydrophobicContact CB-CZ 3.7Å |
| 477 | E | 74.8 | Confident | 75.1 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.6 | -38.3 | 172.2 | -177 | -163.2 | 167.2 | 0 | 0 | 111.5 | V473 R475 F484 R500 R504 F505 | V473-E477 WeakPolarHBondContact O-CB 3.21Å; V473-E477 PolarHBondContact O-N 3.11Å; R475-E477 VanDerWaalsContact C-N 3.32Å; R475-E477 PolarHBondContact O-N 2.91Å; E477-F484 HydrophobicContact CB-CE2 4.12Å; E477-R500 IonicContact OE1-NH2 2.73Å; E477-R500 PolarHBondContact OE1-NH2 3.17Å; E477-R500 IonicContact OE2-CZ 2.71Å; E477-R500 IonicContact OE2-NE 3.16Å; E477-R500 PolarHBondContact OE2-NE 3.26Å; E477-R500 IonicContact OE2-NH2 3.13Å; E477-R500 PolarHBondContact OE2-NH2 3.22Å; E477-R504 WeakPolarHBondContact OE1-CD 3.35Å; E477-R504 WeakPolarHBondContact OE1-CG 3.31Å; E477-R504 IonicContact OE1-CZ 3.28Å; E477-R504 VanDerWaalsContact OE1-CZ 3.28Å; E477-R504 IonicContact OE1-NE 3.32Å; E477-R504 PolarHBondContact OE1-NE 3.16Å; E477-R504 IonicContact OE1-NH1 2.73Å; E477-R504 PolarHBondContact OE1-NH1 3.23Å; E477-F505 HydrophobicContact CG-CE2 4.07Å; E477-F505 HydrophobicContact CG-CZ 4.29Å |
| 478 | K | 79.5 | Confident | 73.6 | Confident | 177 Ų | 177 | 57.4 Ų | 57.4 | 77% | 0.77 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -78.5 | -31.2 | 175.9 | -74 | -175.4 | 174.5 | -173.3 | 0 | 113.2 | R475 M476 | R475-K478 PolarHBondContact O-N 3.37Å; R475-K478 VanDerWaalsContact O-N 3.13Å; M476-K478 PolarHBondContact O-N 3Å |
| 479 | K | 79.4 | Confident | 72.4 | Confident | 127 Ų | 127 | 56.3 Ų | 56.3 | 55% | 0.552 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -87.5 | -48.2 | -171.7 | -160.6 | -179.2 | -169.8 | -179.1 | 0 | 112.7 | D454 R475 M476 | D454-K479 VanDerWaalsContact CG-NZ 3.31Å; D454-K479 IonicContact OD1-NZ 2.7Å; D454-K479 PolarHBondContact OD1-NZ 2.87Å; D454-K479 WeakPolarHBondContact OD2-CE 3.33Å; D454-K479 IonicContact OD2-NZ 3.44Å; D454-K479 PolarHBondContact OD2-NZ 2.94Å; R475-K479 PolarHBondContact O-N 3.4Å; M476-K479 PolarHBondContact O-N 2.77Å; M476-K479 VanDerWaalsContact O-N 3.07Å |
| 480 | S | 71.4 | Confident | 71.3 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 33% | 0.329 | 29% | 0.293 | S | S | . | . | trans | -147.4 | 93.2 | 179 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | M476 A482 Y483 | M476-S480 CarbonylContact O-C 3.19Å; M476-S480 VanDerWaalsContact O-C 3.31Å; M476-S480 PolarHBondContact O-N 3.34Å; S480-A482 PolarHBondContact O-N 2.79Å; S480-Y483 WeakPolarHBondContact O-CB 3.19Å; S480-Y483 PolarHBondContact O-N 2.77Å | ||
| 481 | P | 68.3 | Low | 70.3 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -56.7 | -35.4 | -179.7 | -22.8 | 31.5 | 0 | 0 | 0 | 112.7 | Y483 F505 | P481-Y483 PolarHBondContact O-N 2.8Å; P481-Y483 VanDerWaalsContact O-N 3.15Å; P481-F505 HydrophobicContact CB-CE1 3.5Å; P481-F505 VanDerWaalsContact CB-CE1 3.5Å; P481-F505 HydrophobicContact CB-CZ 3.67Å; P481-F505 WeakPolarHBondContact O-CE1 3.34Å; P481-F505 VanDerWaalsContact O-CZ 3.31Å; P481-F505 WeakPolarHBondContact O-CZ 3.49Å |
| 482 | A | 67.3 | Low | 69.7 | Low | 65 Ų | 65 | 53 Ų | 53 | 54% | 0.537 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -64.5 | -15.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | S480 F484 C485 | S480-A482 PolarHBondContact O-N 2.79Å; A482-F484 PolarHBondContact O-N 2.91Å; A482-F484 VanDerWaalsContact O-N 3.16Å; A482-C485 WeakPolarHBondContact O-CB 3.47Å; A482-C485 PolarHBondContact O-N 2.86Å; A482-C485 PolarHBondContact O-SG 3.34Å |
| 483 | Y | 67.1 | Low | 69.2 | Low | 6 Ų | 6 | 54.5 Ų | 54.5 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -58.5 | -30.2 | -177.5 | -176 | -111.9 | 0 | 0 | 0 | 113.6 | R458 F472 M476 S480 P481 C485 M489 | R458-Y483 WeakPolarHBondContact CB-OH 3.47Å; R458-Y483 VanDerWaalsContact CD-CE2 3.46Å; R458-Y483 VanDerWaalsContact CD-OH 3.31Å; R458-Y483 WeakPolarHBondContact CD-OH 3.22Å; R458-Y483 HydrophobicContact CG-CE2 4.06Å; R458-Y483 WeakPolarHBondContact CG-OH 3.46Å; R458-Y483 VanDerWaalsContact CZ-CD2 3.48Å; R458-Y483 VanDerWaalsContact NH2-CD2 3.33Å; F472-Y483 AromaticContact CE1-CE1 3.79Å; F472-Y483 HydrophobicContact CE1-CE1 3.79Å; F472-Y483 HydrophobicContact CZ-CE1 4.05Å; M476-Y483 HydrophobicContact CB-CD1 3.84Å; M476-Y483 HydrophobicContact CB-CE1 4.47Å; M476-Y483 HydrophobicContact CE-CD1 3.44Å; M476-Y483 VanDerWaalsContact CE-CD1 3.44Å; M476-Y483 HydrophobicContact CE-CD2 3.69Å; M476-Y483 HydrophobicContact CE-CE1 3.79Å; M476-Y483 HydrophobicContact CE-CE2 4.1Å; M476-Y483 HydrophobicContact CE-CG 3.38Å; M476-Y483 HydrophobicContact CG-CD1 3.93Å; M476-Y483 HydrophobicContact CG-CE1 4.12Å; S480-Y483 WeakPolarHBondContact O-CB 3.19Å; S480-Y483 PolarHBondContact O-N 2.77Å; P481-Y483 PolarHBondContact O-N 2.8Å; P481-Y483 VanDerWaalsContact O-N 3.15Å; Y483-C485 PolarHBondContact O-N 2.76Å; Y483-M489 HydrophobicContact CD1-CE 3.84Å; Y483-M489 HydrophobicContact CD1-SD 4.38Å; Y483-M489 HydrophobicContact CE1-CE 3.49Å; Y483-M489 VanDerWaalsContact CE1-CE 3.49Å; Y483-M489 HydrophobicContact CE1-CG 4.14Å; Y483-M489 HydrophobicContact CE1-SD 3.58Å; Y483-M489 VanDerWaalsContact CE1-SD 3.58Å |
| 484 | F | 66.3 | Low | 69.1 | Low | 11 Ų | 11 | 54.7 Ų | 54.7 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -82 | 4.2 | -180 | -58.2 | -82.1 | 0 | 0 | 0 | 114.2 | V473 M476 E477 A482 M489 I492 L501 F505 | V473-F484 HydrophobicContact CB-CE1 4.09Å; V473-F484 HydrophobicContact CB-CZ 4.15Å; V473-F484 HydrophobicContact CG1-CE1 3.77Å; V473-F484 HydrophobicContact CG1-CZ 3.79Å; V473-F484 HydrophobicContact CG2-CE1 3.81Å; V473-F484 HydrophobicContact CG2-CZ 4.35Å; V473-F484 WeakPolarHBondContact O-CZ 3.49Å; M476-F484 HydrophobicContact CB-CE2 3.99Å; M476-F484 HydrophobicContact CB-CZ 3.7Å; E477-F484 HydrophobicContact CB-CE2 4.12Å; A482-F484 PolarHBondContact O-N 2.91Å; A482-F484 VanDerWaalsContact O-N 3.16Å; F484-M489 HydrophobicContact CD1-CE 3.17Å; F484-M489 HydrophobicContact CE1-CE 3.1Å; F484-M489 HydrophobicContact CG-CE 4.3Å; F484-M489 HydrophobicContact CZ-CE 4.18Å; F484-I492 HydrophobicContact CD1-CD1 4.46Å; F484-L501 HydrophobicContact CB-CD2 4Å; F484-L501 HydrophobicContact CD1-CD1 3.47Å; F484-L501 VanDerWaalsContact CD1-CD1 3.47Å; F484-L501 HydrophobicContact CD1-CD2 3.45Å; F484-L501 VanDerWaalsContact CD1-CD2 3.45Å; F484-L501 HydrophobicContact CD1-CG 4.1Å; F484-L501 HydrophobicContact CD2-CD2 3.61Å; F484-L501 HydrophobicContact CE1-CD1 3.87Å; F484-L501 HydrophobicContact CE1-CD2 3.75Å; F484-L501 HydrophobicContact CE1-CG 4.36Å; F484-L501 HydrophobicContact CE2-CD2 3.91Å; F484-L501 HydrophobicContact CG-CD1 4.13Å; F484-L501 HydrophobicContact CG-CD2 3.38Å; F484-L501 HydrophobicContact CG-CG 4.41Å; F484-L501 HydrophobicContact CZ-CD2 3.97Å; F484-F505 AromaticContact CD2-CE2 3.94Å; F484-F505 HydrophobicContact CD2-CE2 3.94Å; F484-F505 HydrophobicContact CD2-CZ 4.1Å; F484-F505 HydrophobicContact CE2-CE2 4.47Å |
| 485 | C | 62.5 | Low | 68.7 | Low | 31 Ų | 31 | 55.3 Ų | 55.3 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -95.2 | -8.3 | 177.5 | -46.2 | 0 | 0 | 0 | 0 | 112.5 | A482 Y483 D507 N513 | A482-C485 WeakPolarHBondContact O-CB 3.47Å; A482-C485 PolarHBondContact O-N 2.86Å; A482-C485 PolarHBondContact O-SG 3.34Å; Y483-C485 PolarHBondContact O-N 2.76Å; C485-D507 WeakPolarHBondContact CB-OD2 3.42Å; C485-D507 PolarHBondContact SG-OD2 3.39Å; C485-D507 VanDerWaalsContact SG-OD2 3.4Å; C485-N513 PolarHBondContact O-ND2 3.35Å; C485-N513 VanDerWaalsContact O-ND2 3.12Å |
| 486 | C | 56.8 | Low | 68.6 | Low | 54 Ų | 54 | 54.9 Ų | 54.9 | 37% | 0.365 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -85.9 | 148.8 | -174 | -55.5 | 0 | 0 | 0 | 0 | 113.5 | D488 M489 | C486-D488 PolarHBondContact O-N 2.86Å; C486-M489 PolarHBondContact O-N 3.09Å; C486-M489 VanDerWaalsContact O-N 3.16Å |
| 487 | R | 52.5 | Low | 68.7 | Low | 177 Ų | 177 | 54.9 Ų | 54.9 | 67% | 0.668 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -48.8 | -32.9 | 175.8 | -109.8 | -176.8 | -173.5 | -170.6 | 1.8 | 113.5 | M489 Q490 | R487-M489 PolarHBondContact O-N 3.41Å; R487-M489 VanDerWaalsContact O-N 3.14Å; R487-Q490 WeakPolarHBondContact O-CB 3.27Å; R487-Q490 WeakPolarHBondContact O-CG 3.33Å; R487-Q490 PolarHBondContact O-N 2.73Å |
| 488 | D | 53.4 | Low | 68.8 | Low | 112 Ų | 112 | 54.2 Ų | 54.2 | 60% | 0.599 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -65.9 | -14.7 | -175 | -53.6 | -25.9 | 0 | 0 | 0 | 114.1 | C486 V491 | C486-D488 PolarHBondContact O-N 2.86Å; D488-V491 VanDerWaalsContact O-CG2 3.26Å; D488-V491 WeakPolarHBondContact O-CG2 3.15Å |
| 489 | M | 60.6 | Low | 68.7 | Low | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -94.7 | 15.4 | -178.5 | -69.4 | -70.5 | -96.3 | 0 | 0 | 113.9 | F461 Y483 F484 C486 R487 V491 I492 | F461-M489 HydrophobicContact CD1-SD 4.19Å; F461-M489 HydrophobicContact CE1-CE 4.44Å; F461-M489 HydrophobicContact CE1-SD 4.16Å; F461-M489 HydrophobicContact CZ-CE 4.46Å; Y483-M489 HydrophobicContact CD1-CE 3.84Å; Y483-M489 HydrophobicContact CD1-SD 4.38Å; Y483-M489 HydrophobicContact CE1-CE 3.49Å; Y483-M489 VanDerWaalsContact CE1-CE 3.49Å; Y483-M489 HydrophobicContact CE1-CG 4.14Å; Y483-M489 HydrophobicContact CE1-SD 3.58Å; Y483-M489 VanDerWaalsContact CE1-SD 3.58Å; F484-M489 HydrophobicContact CD1-CE 3.17Å; F484-M489 HydrophobicContact CE1-CE 3.1Å; F484-M489 HydrophobicContact CG-CE 4.3Å; F484-M489 HydrophobicContact CZ-CE 4.18Å; C486-M489 PolarHBondContact O-N 3.09Å; C486-M489 VanDerWaalsContact O-N 3.16Å; R487-M489 PolarHBondContact O-N 3.41Å; R487-M489 VanDerWaalsContact O-N 3.14Å; M489-V491 PolarHBondContact O-N 3.3Å; M489-I492 HydrophobicContact CE-CD1 4.16Å; M489-I492 HydrophobicContact CE-CG1 4.37Å |
| 490 | Q | 61.3 | Low | 68.9 | Low | 50 Ų | 50 | 48.8 Ų | 48.8 | 23% | 0.234 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 20.9 | 170.8 | -86.2 | 174.1 | 22.2 | 0 | 0 | 114.7 | R487 N513 K516 N517 | R487-Q490 WeakPolarHBondContact O-CB 3.27Å; R487-Q490 WeakPolarHBondContact O-CG 3.33Å; R487-Q490 PolarHBondContact O-N 2.73Å; Q490-N513 WeakPolarHBondContact CG-O 3.38Å; Q490-K516 HydrophobicContact CG-CB 3.98Å; Q490-N517 VanDerWaalsContact C-CB 3.48Å; Q490-N517 WeakPolarHBondContact O-CA 3.41Å; Q490-N517 WeakPolarHBondContact O-CB 3.5Å; Q490-N517 PolarHBondContact O-ND2 2.91Å; Q490-N517 PolarHBondContact O-OD1 3.44Å |
| 491 | V | 64.2 | Low | 69.1 | Low | 15 Ų | 15 | 47 Ų | 47 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -146.4 | 11.8 | -162.1 | -104.1 | 0 | 0 | 0 | 0 | 115.7 | L462 Q469 D488 M489 H493 N517 Y519 | L462-V491 HydrophobicContact CD1-CB 4.17Å; L462-V491 HydrophobicContact CD1-CG1 3.77Å; L462-V491 HydrophobicContact CD1-CG2 4.11Å; L462-V491 HydrophobicContact CD2-CB 3.59Å; L462-V491 HydrophobicContact CD2-CG1 3.04Å; L462-V491 HydrophobicContact CD2-CG2 4.44Å; L462-V491 HydrophobicContact CG-CB 3.51Å; L462-V491 HydrophobicContact CG-CG1 3.38Å; L462-V491 HydrophobicContact CG-CG2 3.87Å; Q469-V491 PolarHBondContact NE2-O 3.07Å; D488-V491 VanDerWaalsContact O-CG2 3.26Å; D488-V491 WeakPolarHBondContact O-CG2 3.15Å; M489-V491 PolarHBondContact O-N 3.3Å; V491-H493 PolarHBondContact O-N 3.31Å; V491-N517 PolarHBondContact N-ND2 3.5Å; V491-Y519 HydrophobicContact CG1-CD2 3.9Å; V491-Y519 HydrophobicContact CG1-CE2 3.46Å; V491-Y519 VanDerWaalsContact CG1-CE2 3.46Å |
| 492 | I | 72.5 | Confident | 69.4 | Low | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -69.8 | 119.9 | 169.4 | -52.5 | 162.9 | 0 | 0 | 0 | 108.5 | F461 F484 M489 A497 L498 L501 L514 N517 | F461-I492 HydrophobicContact CE1-CB 4.11Å; F461-I492 HydrophobicContact CE1-CG1 3.45Å; F461-I492 VanDerWaalsContact CE1-CG1 3.45Å; F461-I492 HydrophobicContact CZ-CB 4.28Å; F461-I492 HydrophobicContact CZ-CG1 3.68Å; F461-I492 HydrophobicContact CZ-CG2 4.28Å; F484-I492 HydrophobicContact CD1-CD1 4.46Å; M489-I492 HydrophobicContact CE-CD1 4.16Å; M489-I492 HydrophobicContact CE-CG1 4.37Å; I492-A497 HydrophobicContact CG2-CB 3.82Å; I492-L498 HydrophobicContact CB-CD2 4.25Å; I492-L498 HydrophobicContact CB-CG 4.29Å; I492-L498 HydrophobicContact CG2-CD1 4.41Å; I492-L498 HydrophobicContact CG2-CD2 4.25Å; I492-L498 HydrophobicContact CG2-CG 3.81Å; I492-L501 HydrophobicContact CD1-CD1 3.42Å; I492-L501 VanDerWaalsContact CD1-CD1 3.42Å; I492-L514 HydrophobicContact CD1-CD1 4.19Å; I492-N517 PolarHBondContact N-ND2 3.44Å; I492-N517 VanDerWaalsContact N-ND2 3.17Å; I492-N517 PolarHBondContact O-ND2 2.88Å | ||
| 493 | H | 72.8 | Confident | 69.9 | Low | 32 Ų | 32 | 46.4 Ų | 46.4 | 15% | 0.148 | 24% | 0.24 | C | C | . | . | trans | -112.1 | -8.5 | 175.1 | 57.8 | 68.5 | 0 | 0 | 0 | 113 | K426 L464 D466 Q469 V491 D495 Y519 | K426-H493 WeakPolarHBondContact CE-NE2 3.36Å; L464-H493 PolarHBondContact O-CE1 3.26Å; L464-H493 PolarHBondContact O-NE2 3.49Å; D466-H493 IonicContact OD1-CE1 2.7Å; D466-H493 PolarHBondContact OD1-CE1 3.35Å; D466-H493 IonicContact OD1-CG 3.55Å; D466-H493 IonicContact OD1-ND1 3.5Å; D466-H493 PolarHBondContact OD1-ND1 2.92Å; Q469-H493 PolarHBondContact NE2-CD2 3.33Å; Q469-H493 VanDerWaalsContact NE2-CD2 3.35Å; Q469-H493 PolarHBondContact NE2-NE2 3.02Å; V491-H493 PolarHBondContact O-N 3.31Å; H493-D495 PolarHBondContact O-N 2.62Å; H493-Y519 HydrophobicContact CB-CG 4.41Å | ||
| 494 | S | 77.5 | Confident | 70.3 | Confident | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.028 | 27% | 0.268 | C | S | . | . | trans | -72.8 | 108.6 | 173.6 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | D466 Q469 A496 A497 L498 | D466-S494 WeakPolarHBondContact O-CB 3.2Å; D466-S494 PolarHBondContact O-OG 3.15Å; Q469-S494 VanDerWaalsContact OE1-N 3.08Å; S494-A496 PolarHBondContact O-N 2.74Å; S494-A497 WeakPolarHBondContact O-CB 3.24Å; S494-A497 PolarHBondContact O-N 3.29Å; S494-A497 PolarHBondContact OG-N 2.87Å; S494-L498 PolarHBondContact O-N 3.29Å | ||
| 495 | D | 74.3 | Confident | 70.6 | Confident | 107 Ų | 107 | 55.3 Ų | 55.3 | 57% | 0.572 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -52.1 | -38.2 | 175.8 | -88.9 | -15.8 | 0 | 0 | 0 | 112.7 | H493 L498 Q499 | H493-D495 PolarHBondContact O-N 2.62Å; D495-L498 PolarHBondContact O-N 2.73Å; D495-Q499 PolarHBondContact O-N 2.95Å |
| 496 | A | 80 | Confident | 71.1 | Confident | 52 Ų | 52 | 57.5 Ų | 57.5 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.7 | -35.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F470 S494 R500 | F470-A496 HydrophobicContact CD2-CB 3.67Å; F470-A496 HydrophobicContact CE2-CB 3.99Å; F470-A496 HydrophobicContact CG-CB 4.36Å; S494-A496 PolarHBondContact O-N 2.74Å; A496-R500 WeakPolarHBondContact O-CB 3.41Å; A496-R500 PolarHBondContact O-N 3.38Å |
| 497 | A | 80.2 | Confident | 72.1 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.6 | -43.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | F470 V473 I492 S494 R500 L501 | F470-A497 HydrophobicContact CD2-CB 4.36Å; V473-A497 HydrophobicContact CB-CB 4.02Å; V473-A497 HydrophobicContact CG1-CB 4.17Å; V473-A497 HydrophobicContact CG2-CB 3.7Å; I492-A497 HydrophobicContact CG2-CB 3.82Å; S494-A497 WeakPolarHBondContact O-CB 3.24Å; S494-A497 PolarHBondContact O-N 3.29Å; S494-A497 PolarHBondContact OG-N 2.87Å; A497-R500 WeakPolarHBondContact O-CB 3.32Å; A497-R500 PolarHBondContact O-N 2.94Å; A497-L501 WeakPolarHBondContact O-CG 3.48Å; A497-L501 PolarHBondContact O-N 3.49Å |
| 498 | L | 76 | Confident | 73.2 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.2 | -47.1 | 178.5 | -77.1 | 159.6 | 0 | 0 | 0 | 112.4 | I492 S494 D495 R500 L501 L502 L514 L520 M524 | I492-L498 HydrophobicContact CB-CD2 4.25Å; I492-L498 HydrophobicContact CB-CG 4.29Å; I492-L498 HydrophobicContact CG2-CD1 4.41Å; I492-L498 HydrophobicContact CG2-CD2 4.25Å; I492-L498 HydrophobicContact CG2-CG 3.81Å; S494-L498 PolarHBondContact O-N 3.29Å; D495-L498 PolarHBondContact O-N 2.73Å; L498-R500 PolarHBondContact O-N 3.27Å; L498-L501 PolarHBondContact O-N 2.88Å; L498-L502 PolarHBondContact O-N 3.24Å; L498-L514 HydrophobicContact CD2-CD2 3.5Å; L498-L514 HydrophobicContact CD2-CG 4.06Å; L498-L520 HydrophobicContact CD1-CD2 3.69Å; L498-L520 HydrophobicContact CD1-CG 3.88Å; L498-L520 HydrophobicContact CD2-CD1 3.8Å; L498-L520 HydrophobicContact CD2-CD2 3.99Å; L498-L520 HydrophobicContact CD2-CG 4.04Å; L498-L520 HydrophobicContact CG-CD2 4.42Å; L498-M524 HydrophobicContact CB-CE 3.57Å |
| 499 | Q | 78.7 | Confident | 74.2 | Confident | 123 Ų | 123 | 50.1 Ų | 50.1 | 58% | 0.575 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -57 | -42.5 | 175.2 | -89.8 | -157.6 | -3.2 | 0 | 0 | 111.7 | D495 L501 L502 T503 M524 | D495-Q499 PolarHBondContact O-N 2.95Å; Q499-L501 PolarHBondContact O-N 3.02Å; Q499-L502 PolarHBondContact O-N 3.25Å; Q499-T503 PolarHBondContact O-N 2.75Å; Q499-T503 VanDerWaalsContact O-N 3.14Å; Q499-T503 PolarHBondContact O-OG1 3.49Å; Q499-M524 HydrophobicContact CG-CE 4.03Å |
| 500 | R | 82.6 | Confident | 74.9 | Confident | 67 Ų | 67 | 50.2 Ų | 50.2 | 25% | 0.253 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | -180 | -174.2 | 173.2 | 180 | 75.8 | 16.2 | 111.7 | E477 A496 A497 L498 T503 R504 | E477-R500 IonicContact OE1-NH2 2.73Å; E477-R500 PolarHBondContact OE1-NH2 3.17Å; E477-R500 IonicContact OE2-CZ 2.71Å; E477-R500 IonicContact OE2-NE 3.16Å; E477-R500 PolarHBondContact OE2-NE 3.26Å; E477-R500 IonicContact OE2-NH2 3.13Å; E477-R500 PolarHBondContact OE2-NH2 3.22Å; A496-R500 WeakPolarHBondContact O-CB 3.41Å; A496-R500 PolarHBondContact O-N 3.38Å; A497-R500 WeakPolarHBondContact O-CB 3.32Å; A497-R500 PolarHBondContact O-N 2.94Å; L498-R500 PolarHBondContact O-N 3.27Å; R500-T503 PolarHBondContact O-N 3.05Å; R500-T503 PolarHBondContact O-OG1 3.14Å; R500-R504 WeakPolarHBondContact O-CB 3.5Å; R500-R504 WeakPolarHBondContact O-CG 3.35Å; R500-R504 PolarHBondContact O-N 2.6Å |
| 501 | L | 77.1 | Confident | 75.8 | Confident | 10 Ų | 10 | 48.3 Ų | 48.3 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -46.2 | 177.3 | -69.8 | 171.4 | 0 | 0 | 0 | 112.3 | V473 F484 I492 A497 L498 Q499 T503 R504 F505 | V473-L501 HydrophobicContact CG1-CD1 4.13Å; V473-L501 HydrophobicContact CG1-CD2 3.99Å; V473-L501 HydrophobicContact CG1-CG 3.91Å; F484-L501 HydrophobicContact CB-CD2 4Å; F484-L501 HydrophobicContact CD1-CD1 3.47Å; F484-L501 VanDerWaalsContact CD1-CD1 3.47Å; F484-L501 HydrophobicContact CD1-CD2 3.45Å; F484-L501 VanDerWaalsContact CD1-CD2 3.45Å; F484-L501 HydrophobicContact CD1-CG 4.1Å; F484-L501 HydrophobicContact CD2-CD2 3.61Å; F484-L501 HydrophobicContact CE1-CD1 3.87Å; F484-L501 HydrophobicContact CE1-CD2 3.75Å; F484-L501 HydrophobicContact CE1-CG 4.36Å; F484-L501 HydrophobicContact CE2-CD2 3.91Å; F484-L501 HydrophobicContact CG-CD1 4.13Å; F484-L501 HydrophobicContact CG-CD2 3.38Å; F484-L501 HydrophobicContact CG-CG 4.41Å; F484-L501 HydrophobicContact CZ-CD2 3.97Å; I492-L501 HydrophobicContact CD1-CD1 3.42Å; I492-L501 VanDerWaalsContact CD1-CD1 3.42Å; A497-L501 WeakPolarHBondContact O-CG 3.48Å; A497-L501 PolarHBondContact O-N 3.49Å; L498-L501 PolarHBondContact O-N 2.88Å; Q499-L501 PolarHBondContact O-N 3.02Å; L501-T503 PolarHBondContact O-N 2.89Å; L501-R504 PolarHBondContact O-N 3.24Å; L501-F505 HydrophobicContact CD2-CD2 3.66Å; L501-F505 HydrophobicContact CD2-CE2 3.7Å; L501-F505 PolarHBondContact O-N 2.86Å |
| 502 | L | 74.7 | Confident | 76.3 | Confident | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.2 | -33.1 | 176.9 | -80.9 | 172.4 | 0 | 0 | 0 | 113.4 | L498 Q499 M524 I528 R531 | L498-L502 PolarHBondContact O-N 3.24Å; Q499-L502 PolarHBondContact O-N 3.25Å; L502-M524 HydrophobicContact CD1-CE 3.9Å; L502-M524 HydrophobicContact CD1-CG 4.4Å; L502-M524 HydrophobicContact CD1-SD 3.55Å; L502-M524 VanDerWaalsContact CD1-SD 3.55Å; L502-I528 HydrophobicContact CD2-CG1 3.82Å; L502-R531 PolarHBondContact O-NE 3.01Å; L502-R531 VanDerWaalsContact O-NE 3.13Å; L502-R531 PolarHBondContact O-NH2 3.25Å; L502-R531 VanDerWaalsContact O-NH2 3.16Å |
| 503 | T | 76.9 | Confident | 76.3 | Confident | 103 Ų | 103 | 48.8 Ų | 48.8 | 63% | 0.632 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -80.6 | -21.3 | 175.5 | 40 | 0 | 0 | 0 | 0 | 114.8 | Q499 R500 L501 | Q499-T503 PolarHBondContact O-N 2.75Å; Q499-T503 VanDerWaalsContact O-N 3.14Å; Q499-T503 PolarHBondContact O-OG1 3.49Å; R500-T503 PolarHBondContact O-N 3.05Å; R500-T503 PolarHBondContact O-OG1 3.14Å; L501-T503 PolarHBondContact O-N 2.89Å |
| 504 | R | 76.4 | Confident | 76.4 | Confident | 164 Ų | 164 | 47.8 Ų | 47.8 | 62% | 0.619 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -106.9 | -28.5 | -170.3 | -78.9 | -88.9 | 179.4 | 141.4 | -18 | 114 | E477 R500 L501 | E477-R504 WeakPolarHBondContact OE1-CD 3.35Å; E477-R504 WeakPolarHBondContact OE1-CG 3.31Å; E477-R504 IonicContact OE1-CZ 3.28Å; E477-R504 VanDerWaalsContact OE1-CZ 3.28Å; E477-R504 IonicContact OE1-NE 3.32Å; E477-R504 PolarHBondContact OE1-NE 3.16Å; E477-R504 IonicContact OE1-NH1 2.73Å; E477-R504 PolarHBondContact OE1-NH1 3.23Å; R500-R504 WeakPolarHBondContact O-CB 3.5Å; R500-R504 WeakPolarHBondContact O-CG 3.35Å; R500-R504 PolarHBondContact O-N 2.6Å; L501-R504 PolarHBondContact O-N 3.24Å |
| 505 | F | 71.5 | Confident | 76.1 | Confident | 40 Ų | 40 | 47.6 Ų | 47.6 | 18% | 0.175 | 24% | 0.24 | C | C | . | . | trans | -120.5 | 126.2 | -174.5 | -68.1 | -82.5 | 0 | 0 | 0 | 112.1 | E477 P481 F484 L501 W511 | E477-F505 HydrophobicContact CG-CE2 4.07Å; E477-F505 HydrophobicContact CG-CZ 4.29Å; P481-F505 HydrophobicContact CB-CE1 3.5Å; P481-F505 VanDerWaalsContact CB-CE1 3.5Å; P481-F505 HydrophobicContact CB-CZ 3.67Å; P481-F505 WeakPolarHBondContact O-CE1 3.34Å; P481-F505 VanDerWaalsContact O-CZ 3.31Å; P481-F505 WeakPolarHBondContact O-CZ 3.49Å; F484-F505 AromaticContact CD2-CE2 3.94Å; F484-F505 HydrophobicContact CD2-CE2 3.94Å; F484-F505 HydrophobicContact CD2-CZ 4.1Å; F484-F505 HydrophobicContact CE2-CE2 4.47Å; L501-F505 HydrophobicContact CD2-CD2 3.66Å; L501-F505 HydrophobicContact CD2-CE2 3.7Å; L501-F505 PolarHBondContact O-N 2.86Å; F505-W511 WeakPolarHBondContact O-CZ2 3.39Å; F505-W511 PolarHBondContact O-NE1 2.92Å | ||
| 506 | N | 74.1 | Confident | 75.8 | Confident | 76 Ų | 76 | 45.1 Ų | 45.1 | 41% | 0.406 | 22% | 0.224 | S | C | . | . | trans | -114.7 | 81.9 | 169.8 | -72.6 | -10.4 | 0 | 0 | 0 | 108.5 | W511 H535 Y547 | N506-W511 HydrophobicContact CB-CH2 4.21Å; N506-W511 HydrophobicContact CB-CZ2 4.13Å; N506-W511 WeakPolarHBondContact OD1-CZ2 3.41Å; N506-H535 PolarHBondContact ND2-CD2 3.07Å; N506-H535 PolarHBondContact ND2-NE2 2.88Å; N506-Y547 PolarHBondContact O-OH 3.34Å | ||
| 507 | D | 75.8 | Confident | 75.3 | Confident | 46 Ų | 46 | 42.7 Ų | 42.7 | 25% | 0.246 | 20% | 0.204 | C | C | . | . | trans | -131.3 | 119.9 | 178.4 | 176.9 | 54.4 | 0 | 0 | 0 | 109.3 | C485 G510 W511 | C485-D507 WeakPolarHBondContact CB-OD2 3.42Å; C485-D507 PolarHBondContact SG-OD2 3.39Å; C485-D507 VanDerWaalsContact SG-OD2 3.4Å; D507-G510 PolarHBondContact O-N 3.05Å; D507-G510 WeakPolarHBondContact OD2-CA 2.77Å; D507-G510 PolarHBondContact OD2-N 2.99Å; D507-W511 VanDerWaalsContact O-CG 3.29Å; D507-W511 PolarHBondContact O-N 3.44Å | ||
| 508 | P | 77 | Confident | 74.4 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.8 | -39.7 | -175 | 21.5 | -27.3 | 0 | 0 | 0 | 112.1 | G510 W511 S512 A546 Y547 S550 | P508-G510 PolarHBondContact O-N 3.32Å; P508-W511 PolarHBondContact O-N 2.95Å; P508-S512 PolarHBondContact O-N 2.98Å; P508-S512 PolarHBondContact O-OG 3.39Å; P508-A546 HydrophobicContact CB-CB 4.24Å; P508-A546 WeakPolarHBondContact CB-O 3.15Å; P508-A546 HydrophobicContact CG-CB 3.64Å; P508-Y547 HydrophobicContact CB-CD1 3.78Å; P508-Y547 HydrophobicContact CB-CD2 4.29Å; P508-Y547 HydrophobicContact CB-CE1 4.01Å; P508-Y547 HydrophobicContact CB-CE2 4.49Å; P508-Y547 HydrophobicContact CB-CG 3.93Å; P508-Y547 HydrophobicContact CG-CD1 4.26Å; P508-Y547 HydrophobicContact CG-CD2 4.03Å; P508-Y547 HydrophobicContact CG-CE1 4.18Å; P508-Y547 HydrophobicContact CG-CE2 3.92Å; P508-Y547 HydrophobicContact CG-CG 4.18Å; P508-S550 WeakPolarHBondContact O-CB 3.11Å; P508-S550 PolarHBondContact O-OG 2.77Å |
| 509 | E | 74.3 | Confident | 73.9 | Confident | 133 Ų | 133 | 51 Ų | 51 | 62% | 0.621 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.7 | -42.9 | 179.4 | -163.8 | 176.3 | -173.6 | 0 | 0 | 111.4 | W511 S512 N513 | E509-W511 VanDerWaalsContact C-N 3.32Å; E509-W511 PolarHBondContact O-N 3.13Å; E509-S512 PolarHBondContact O-N 3.44Å; E509-N513 WeakPolarHBondContact O-CB 3.31Å; E509-N513 PolarHBondContact O-N 3.11Å; E509-N513 PolarHBondContact O-ND2 3.3Å |
| 510 | G | 74.1 | Confident | 73.5 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.4 | -38.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | D507 P508 L514 | D507-G510 PolarHBondContact O-N 3.05Å; D507-G510 WeakPolarHBondContact OD2-CA 2.77Å; D507-G510 PolarHBondContact OD2-N 2.99Å; P508-G510 PolarHBondContact O-N 3.32Å; G510-L514 WeakPolarHBondContact O-CB 3.23Å; G510-L514 PolarHBondContact O-N 2.94Å |
| 511 | W | 80.3 | Confident | 72.9 | Confident | 10 Ų | 10 | 45 Ų | 45 | 4% | 0.038 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.5 | -40.3 | 176.4 | -69.6 | -2.6 | 0 | 0 | 0 | 112.8 | F505 N506 D507 P508 E509 N513 L514 A515 I528 R531 A532 H535 Y547 I554 | F505-W511 WeakPolarHBondContact O-CZ2 3.39Å; F505-W511 PolarHBondContact O-NE1 2.92Å; N506-W511 HydrophobicContact CB-CH2 4.21Å; N506-W511 HydrophobicContact CB-CZ2 4.13Å; N506-W511 WeakPolarHBondContact OD1-CZ2 3.41Å; D507-W511 VanDerWaalsContact O-CG 3.29Å; D507-W511 PolarHBondContact O-N 3.44Å; P508-W511 PolarHBondContact O-N 2.95Å; E509-W511 VanDerWaalsContact C-N 3.32Å; E509-W511 PolarHBondContact O-N 3.13Å; W511-N513 VanDerWaalsContact C-N 3.35Å; W511-L514 PolarHBondContact O-N 3.13Å; W511-A515 PolarHBondContact O-N 2.62Å; W511-I528 HydrophobicContact CB-CG2 3.62Å; W511-I528 HydrophobicContact CG-CG2 3.97Å; W511-R531 HydrophobicContact CH2-CB 4.23Å; W511-R531 HydrophobicContact CH2-CG 3.54Å; W511-R531 HydrophobicContact CZ2-CG 3.8Å; W511-R531 VanDerWaalsContact CZ3-C 3.44Å; W511-R531 HydrophobicContact CZ3-CB 4.36Å; W511-R531 HydrophobicContact CZ3-CG 4.14Å; W511-R531 WeakPolarHBondContact CZ3-O 3.19Å; W511-A532 VanDerWaalsContact CE3-CA 3.49Å; W511-A532 HydrophobicContact CE3-CB 3.81Å; W511-A532 HydrophobicContact CZ3-CB 4.22Å; W511-A532 VanDerWaalsContact CZ3-N 3.32Å; W511-H535 HydrophobicContact CH2-CB 4.19Å; W511-H535 HydrophobicContact CZ3-CB 4.06Å; W511-Y547 HydrophobicContact CE3-CD1 4.25Å; W511-Y547 HydrophobicContact CE3-CE1 4.03Å; W511-Y547 HydrophobicContact CH2-CE1 4.19Å; W511-Y547 AromaticContact CZ3-CD1 3.94Å; W511-Y547 HydrophobicContact CZ3-CD1 3.94Å; W511-Y547 AromaticContact CZ3-CE1 3.56Å; W511-Y547 HydrophobicContact CZ3-CE1 3.56Å; W511-I554 HydrophobicContact CB-CD1 4.31Å |
| 512 | S | 74.8 | Confident | 72.7 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 173.8 | -39.7 | 0 | 0 | 0 | 0 | 111.3 | P508 E509 A515 K516 S550 | P508-S512 PolarHBondContact O-N 2.98Å; P508-S512 PolarHBondContact O-OG 3.39Å; E509-S512 PolarHBondContact O-N 3.44Å; S512-A515 PolarHBondContact O-N 2.82Å; S512-K516 PolarHBondContact O-N 2.9Å; S512-S550 PolarHBondContact N-OG 3.48Å; S512-S550 WeakPolarHBondContact OG-CA 3.18Å; S512-S550 WeakPolarHBondContact OG-CB 3.39Å; S512-S550 PolarHBondContact OG-OG 2.8Å |
| 513 | N | 72.4 | Confident | 72.7 | Confident | 17 Ų | 17 | 51.1 Ų | 51.1 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 176.3 | -76 | -34.9 | 0 | 0 | 0 | 110.7 | C485 Q490 E509 W511 A515 K516 | C485-N513 PolarHBondContact O-ND2 3.35Å; C485-N513 VanDerWaalsContact O-ND2 3.12Å; Q490-N513 WeakPolarHBondContact CG-O 3.38Å; E509-N513 WeakPolarHBondContact O-CB 3.31Å; E509-N513 PolarHBondContact O-N 3.11Å; E509-N513 PolarHBondContact O-ND2 3.3Å; W511-N513 VanDerWaalsContact C-N 3.35Å; N513-A515 VanDerWaalsContact C-N 3.32Å; N513-A515 PolarHBondContact O-N 3.19Å; N513-K516 PolarHBondContact O-N 3.22Å |
| 514 | L | 74.7 | Confident | 72.8 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 176.9 | -131.6 | 82.1 | 0 | 0 | 0 | 112 | I492 L498 G510 W511 K516 N517 L520 I528 | I492-L514 HydrophobicContact CD1-CD1 4.19Å; L498-L514 HydrophobicContact CD2-CD2 3.5Å; L498-L514 HydrophobicContact CD2-CG 4.06Å; G510-L514 WeakPolarHBondContact O-CB 3.23Å; G510-L514 PolarHBondContact O-N 2.94Å; W511-L514 PolarHBondContact O-N 3.13Å; L514-K516 VanDerWaalsContact C-N 3.29Å; L514-K516 PolarHBondContact O-N 2.76Å; L514-N517 WeakPolarHBondContact O-CB 3.42Å; L514-N517 PolarHBondContact O-N 3.01Å; L514-N517 VanDerWaalsContact O-N 3.08Å; L514-L520 HydrophobicContact CB-CD1 4.27Å; L514-L520 HydrophobicContact CD2-CD1 4.05Å; L514-L520 HydrophobicContact CG-CD1 3.81Å; L514-L520 WeakPolarHBondContact O-CD1 3.38Å; L514-I528 HydrophobicContact CB-CD1 4.13Å; L514-I528 HydrophobicContact CD2-CD1 3.8Å; L514-I528 HydrophobicContact CD2-CG1 4.4Å; L514-I528 HydrophobicContact CG-CD1 4.44Å |
| 515 | A | 71.5 | Confident | 73 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.2 | -24.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | W511 S512 N513 N517 K525 I554 | W511-A515 PolarHBondContact O-N 2.62Å; S512-A515 PolarHBondContact O-N 2.82Å; N513-A515 VanDerWaalsContact C-N 3.32Å; N513-A515 PolarHBondContact O-N 3.19Å; A515-N517 PolarHBondContact O-N 3.06Å; A515-K525 WeakPolarHBondContact O-CE 3.31Å; A515-I554 HydrophobicContact CB-CB 3.98Å; A515-I554 HydrophobicContact CB-CG1 3.55Å; A515-I554 HydrophobicContact CB-CG2 3.68Å |
| 516 | K | 68.8 | Low | 73.4 | Confident | 55 Ų | 55 | 39 Ų | 39 | 24% | 0.239 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -7.4 | 172 | -68.7 | -179 | 174.7 | -172.5 | 0 | 113.5 | Q490 S512 N513 L514 Q518 E557 | Q490-K516 HydrophobicContact CG-CB 3.98Å; S512-K516 PolarHBondContact O-N 2.9Å; N513-K516 PolarHBondContact O-N 3.22Å; L514-K516 VanDerWaalsContact C-N 3.29Å; L514-K516 PolarHBondContact O-N 2.76Å; K516-Q518 PolarHBondContact O-N 2.94Å; K516-E557 HydrophobicContact CG-CG 4.31Å |
| 517 | N | 68.5 | Low | 73.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -68.8 | 114 | 176.6 | -178 | -19 | 0 | 0 | 0 | 110.8 | Q490 V491 I492 L514 A515 Y519 L520 K525 | Q490-N517 VanDerWaalsContact C-CB 3.48Å; Q490-N517 WeakPolarHBondContact O-CA 3.41Å; Q490-N517 WeakPolarHBondContact O-CB 3.5Å; Q490-N517 PolarHBondContact O-ND2 2.91Å; Q490-N517 PolarHBondContact O-OD1 3.44Å; V491-N517 PolarHBondContact N-ND2 3.5Å; I492-N517 PolarHBondContact N-ND2 3.44Å; I492-N517 VanDerWaalsContact N-ND2 3.17Å; I492-N517 PolarHBondContact O-ND2 2.88Å; L514-N517 WeakPolarHBondContact O-CB 3.42Å; L514-N517 PolarHBondContact O-N 3.01Å; L514-N517 VanDerWaalsContact O-N 3.08Å; A515-N517 PolarHBondContact O-N 3.06Å; N517-Y519 PolarHBondContact O-N 3.14Å; N517-Y519 WeakPolarHBondContact OD1-CA 3.46Å; N517-Y519 VanDerWaalsContact OD1-CB 3.31Å; N517-Y519 WeakPolarHBondContact OD1-CB 3.47Å; N517-Y519 VanDerWaalsContact OD1-CD2 3.32Å; N517-Y519 WeakPolarHBondContact OD1-CD2 3.5Å; N517-Y519 PolarHBondContact OD1-N 3.23Å; N517-L520 HydrophobicContact CB-CB 4.13Å; N517-L520 HydrophobicContact CB-CD1 3.77Å; N517-L520 HydrophobicContact CB-CG 4.3Å; N517-L520 WeakPolarHBondContact O-CB 3.31Å; N517-L520 PolarHBondContact O-N 2.9Å; N517-L520 PolarHBondContact OD1-N 2.98Å; N517-K525 WeakPolarHBondContact O-CE 3.47Å | ||
| 518 | Q | 61.3 | Low | 74.1 | Confident | 114 Ų | 114 | 37.7 Ų | 37.7 | 53% | 0.533 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -14.2 | 179.8 | 57.8 | 173.2 | -61.2 | 0 | 0 | 114.6 | H427 K516 | H427-Q518 VanDerWaalsContact CE1-CD 3.42Å; H427-Q518 PolarHBondContact CE1-NE2 3.3Å; H427-Q518 PolarHBondContact ND1-NE2 3.47Å; H427-Q518 PolarHBondContact NE2-NE2 3.25Å; K516-Q518 PolarHBondContact O-N 2.94Å |
| 519 | Y | 65.8 | Low | 74.5 | Confident | 64 Ų | 64 | 37.3 Ų | 37.3 | 25% | 0.251 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -11.5 | 176.6 | -54.4 | -87.8 | 0 | 0 | 0 | 113.8 | K426 H427 L462 V491 H493 N517 S521 | K426-Y519 WeakPolarHBondContact O-CE1 3.43Å; K426-Y519 PolarHBondContact O-OH 2.79Å; H427-Y519 WeakPolarHBondContact CA-OH 3.48Å; H427-Y519 WeakPolarHBondContact CB-OH 3.4Å; H427-Y519 AromaticContact CE1-CE2 3.71Å; H427-Y519 PolarHBondContact N-OH 3.21Å; H427-Y519 AromaticContact ND1-CE2 3.25Å; H427-Y519 VanDerWaalsContact ND1-CE2 3.25Å; H427-Y519 WeakPolarHBondContact ND1-CE2 3.24Å; H427-Y519 AromaticContact ND1-CZ 3.39Å; H427-Y519 PolarHBondContact ND1-OH 3.48Å; L462-Y519 HydrophobicContact CD2-CE2 3.96Å; L462-Y519 WeakPolarHBondContact CD2-OH 3.42Å; V491-Y519 HydrophobicContact CG1-CD2 3.9Å; V491-Y519 HydrophobicContact CG1-CE2 3.46Å; V491-Y519 VanDerWaalsContact CG1-CE2 3.46Å; H493-Y519 HydrophobicContact CB-CG 4.41Å; N517-Y519 PolarHBondContact O-N 3.14Å; N517-Y519 WeakPolarHBondContact OD1-CA 3.46Å; N517-Y519 VanDerWaalsContact OD1-CB 3.31Å; N517-Y519 WeakPolarHBondContact OD1-CB 3.47Å; N517-Y519 VanDerWaalsContact OD1-CD2 3.32Å; N517-Y519 WeakPolarHBondContact OD1-CD2 3.5Å; N517-Y519 PolarHBondContact OD1-N 3.23Å; Y519-S521 PolarHBondContact O-N 3.2Å |
| 520 | L | 70.4 | Confident | 74.9 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -72 | 121.9 | 177.9 | -110.8 | 160.1 | 0 | 0 | 0 | 108.8 | L498 L514 N517 M524 K525 I528 | L498-L520 HydrophobicContact CD1-CD2 3.69Å; L498-L520 HydrophobicContact CD1-CG 3.88Å; L498-L520 HydrophobicContact CD2-CD1 3.8Å; L498-L520 HydrophobicContact CD2-CD2 3.99Å; L498-L520 HydrophobicContact CD2-CG 4.04Å; L498-L520 HydrophobicContact CG-CD2 4.42Å; L514-L520 HydrophobicContact CB-CD1 4.27Å; L514-L520 HydrophobicContact CD2-CD1 4.05Å; L514-L520 HydrophobicContact CG-CD1 3.81Å; L514-L520 WeakPolarHBondContact O-CD1 3.38Å; N517-L520 HydrophobicContact CB-CB 4.13Å; N517-L520 HydrophobicContact CB-CD1 3.77Å; N517-L520 HydrophobicContact CB-CG 4.3Å; N517-L520 WeakPolarHBondContact O-CB 3.31Å; N517-L520 PolarHBondContact O-N 2.9Å; N517-L520 PolarHBondContact OD1-N 2.98Å; L520-M524 HydrophobicContact CD2-CB 3.28Å; L520-M524 HydrophobicContact CD2-CG 3.09Å; L520-K525 HydrophobicContact CB-CG 4.1Å; L520-K525 WeakPolarHBondContact O-CE 3.22Å; L520-I528 HydrophobicContact CD1-CD1 3.96Å; L520-I528 HydrophobicContact CD2-CD1 4.24Å |
| 521 | S | 71.2 | Confident | 75.4 | Confident | 58 Ų | 58 | 41.2 Ų | 41.2 | 41% | 0.406 | 20% | 0.198 | S | C | . | . | trans | -56.1 | 145.6 | 175.6 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | Y519 L523 M524 K525 | Y519-S521 PolarHBondContact O-N 3.2Å; S521-L523 PolarHBondContact O-N 3.26Å; S521-L523 VanDerWaalsContact O-N 3.13Å; S521-M524 WeakPolarHBondContact O-CA 3.39Å; S521-M524 WeakPolarHBondContact O-CB 3.32Å; S521-M524 PolarHBondContact O-N 2.87Å; S521-K525 PolarHBondContact O-N 3.25Å; S521-K525 VanDerWaalsContact O-N 3.12Å | ||
| 522 | T | 72 | Confident | 75.4 | Confident | 48 Ų | 48 | 40.7 Ų | 40.7 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -47.9 | -44.1 | 177.1 | -37.8 | 0 | 0 | 0 | 0 | 111.4 | M524 K525 Q526 E563 | T522-M524 VanDerWaalsContact C-N 3.26Å; T522-M524 PolarHBondContact O-N 3.16Å; T522-K525 PolarHBondContact O-N 3.26Å; T522-Q526 VanDerWaalsContact O-CG 3.28Å; T522-Q526 WeakPolarHBondContact O-CG 3.37Å; T522-Q526 PolarHBondContact O-N 3.24Å; T522-E563 HydrophobicContact CG2-CB 3.67Å; T522-E563 HydrophobicContact CG2-CG 4.1Å; T522-E563 VanDerWaalsContact CG2-O 3.28Å; T522-E563 WeakPolarHBondContact CG2-O 3.27Å; T522-E563 PolarHBondContact OG1-OE1 2.74Å |
| 523 | L | 75.7 | Confident | 75.7 | Confident | 107 Ų | 107 | 41.3 Ų | 41.3 | 56% | 0.56 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -56.4 | -36.7 | 177.1 | -171.9 | 75.8 | 0 | 0 | 0 | 113.2 | S521 K527 | S521-L523 PolarHBondContact O-N 3.26Å; S521-L523 VanDerWaalsContact O-N 3.13Å; L523-K527 WeakPolarHBondContact O-CG 3.16Å; L523-K527 PolarHBondContact O-N 3.22Å |
| 524 | M | 79 | Confident | 76.1 | Confident | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.049 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -82.1 | -35.7 | -177.8 | -166.7 | 69.2 | 122.8 | 0 | 0 | 111.7 | L498 Q499 L502 L520 S521 T522 Q526 K527 I528 | L498-M524 HydrophobicContact CB-CE 3.57Å; Q499-M524 HydrophobicContact CG-CE 4.03Å; L502-M524 HydrophobicContact CD1-CE 3.9Å; L502-M524 HydrophobicContact CD1-CG 4.4Å; L502-M524 HydrophobicContact CD1-SD 3.55Å; L502-M524 VanDerWaalsContact CD1-SD 3.55Å; L520-M524 HydrophobicContact CD2-CB 3.28Å; L520-M524 HydrophobicContact CD2-CG 3.09Å; S521-M524 WeakPolarHBondContact O-CA 3.39Å; S521-M524 WeakPolarHBondContact O-CB 3.32Å; S521-M524 PolarHBondContact O-N 2.87Å; T522-M524 VanDerWaalsContact C-N 3.26Å; T522-M524 PolarHBondContact O-N 3.16Å; M524-Q526 VanDerWaalsContact C-N 3.31Å; M524-Q526 PolarHBondContact O-N 2.86Å; M524-K527 WeakPolarHBondContact O-CB 3.3Å; M524-K527 PolarHBondContact O-N 3.1Å; M524-K527 VanDerWaalsContact O-N 3.14Å; M524-K527 HydrophobicContact SD-CB 4.45Å; M524-K527 HydrophobicContact SD-CD 3.93Å; M524-I528 WeakPolarHBondContact O-CG1 3.36Å; M524-I528 PolarHBondContact O-N 2.65Å |
| 525 | K | 78.9 | Confident | 76.4 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.9 | -43.8 | 168 | -65.5 | -177.8 | -173 | 169.5 | 0 | 111.5 | A515 N517 L520 S521 T522 K527 I528 W529 L558 E563 | A515-K525 WeakPolarHBondContact O-CE 3.31Å; N517-K525 WeakPolarHBondContact O-CE 3.47Å; L520-K525 HydrophobicContact CB-CG 4.1Å; L520-K525 WeakPolarHBondContact O-CE 3.22Å; S521-K525 PolarHBondContact O-N 3.25Å; S521-K525 VanDerWaalsContact O-N 3.12Å; T522-K525 PolarHBondContact O-N 3.26Å; K525-K527 VanDerWaalsContact C-N 3.33Å; K525-K527 PolarHBondContact O-N 2.95Å; K525-I528 PolarHBondContact O-N 3.4Å; K525-W529 PolarHBondContact O-N 3.12Å; K525-L558 HydrophobicContact CB-CD1 4.33Å; K525-L558 HydrophobicContact CB-CD2 3.65Å; K525-L558 HydrophobicContact CB-CG 4.25Å; K525-L558 HydrophobicContact CD-CD2 3.75Å; K525-L558 HydrophobicContact CG-CD2 4.38Å; K525-E563 IonicContact NZ-OE2 3.15Å; K525-E563 PolarHBondContact NZ-OE2 3.07Å |
| 526 | Q | 80.4 | Confident | 76.5 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 17% | 0.168 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.5 | -41 | 173.1 | -67.8 | -179.5 | -18.8 | 0 | 0 | 112.5 | T522 M524 W529 Q530 D565 M568 | T522-Q526 VanDerWaalsContact O-CG 3.28Å; T522-Q526 WeakPolarHBondContact O-CG 3.37Å; T522-Q526 PolarHBondContact O-N 3.24Å; M524-Q526 VanDerWaalsContact C-N 3.31Å; M524-Q526 PolarHBondContact O-N 2.86Å; Q526-W529 PolarHBondContact O-N 3.36Å; Q526-Q530 WeakPolarHBondContact O-CG 3.23Å; Q526-Q530 PolarHBondContact O-N 3.38Å; Q526-D565 PolarHBondContact NE2-OD2 2.9Å; Q526-M568 HydrophobicContact CB-SD 4.22Å; Q526-M568 HydrophobicContact CG-SD 3.71Å |
| 527 | K | 82.6 | Confident | 76.8 | Confident | 94 Ų | 94 | 50.9 Ų | 50.9 | 41% | 0.409 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.1 | -39.1 | 175.3 | -76.8 | 176.3 | -177.9 | 174.4 | 0 | 112.8 | L523 M524 K525 R531 | L523-K527 WeakPolarHBondContact O-CG 3.16Å; L523-K527 PolarHBondContact O-N 3.22Å; M524-K527 WeakPolarHBondContact O-CB 3.3Å; M524-K527 PolarHBondContact O-N 3.1Å; M524-K527 VanDerWaalsContact O-N 3.14Å; M524-K527 HydrophobicContact SD-CB 4.45Å; M524-K527 HydrophobicContact SD-CD 3.93Å; K525-K527 VanDerWaalsContact C-N 3.33Å; K525-K527 PolarHBondContact O-N 2.95Å; K527-R531 VanDerWaalsContact O-CB 3.31Å; K527-R531 WeakPolarHBondContact O-CB 3.06Å; K527-R531 PolarHBondContact O-N 2.96Å |
| 528 | I | 83.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 176.4 | -63.3 | 155.7 | 0 | 0 | 0 | 109.4 | L502 W511 L514 L520 M524 K525 Q530 R531 A532 I554 | L502-I528 HydrophobicContact CD2-CG1 3.82Å; W511-I528 HydrophobicContact CB-CG2 3.62Å; W511-I528 HydrophobicContact CG-CG2 3.97Å; L514-I528 HydrophobicContact CB-CD1 4.13Å; L514-I528 HydrophobicContact CD2-CD1 3.8Å; L514-I528 HydrophobicContact CD2-CG1 4.4Å; L514-I528 HydrophobicContact CG-CD1 4.44Å; L520-I528 HydrophobicContact CD1-CD1 3.96Å; L520-I528 HydrophobicContact CD2-CD1 4.24Å; M524-I528 WeakPolarHBondContact O-CG1 3.36Å; M524-I528 PolarHBondContact O-N 2.65Å; K525-I528 PolarHBondContact O-N 3.4Å; I528-Q530 PolarHBondContact O-N 3.41Å; I528-R531 PolarHBondContact O-N 3.03Å; I528-R531 VanDerWaalsContact O-N 3.1Å; I528-A532 PolarHBondContact O-N 3.18Å; I528-I554 HydrophobicContact CG2-CD1 3.83Å |
| 529 | W | 85.4 | Confident | 77.9 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.3 | -48.2 | 176.5 | -173.9 | 79.8 | 0 | 0 | 0 | 112.7 | K525 Q526 R531 A532 L533 A551 I554 L555 M568 N571 A572 | K525-W529 PolarHBondContact O-N 3.12Å; Q526-W529 PolarHBondContact O-N 3.36Å; W529-R531 PolarHBondContact O-N 3.05Å; W529-A532 WeakPolarHBondContact O-CB 3.18Å; W529-A532 PolarHBondContact O-N 2.86Å; W529-L533 HydrophobicContact CD2-CD1 3.74Å; W529-L533 VanDerWaalsContact CE2-CD1 3.45Å; W529-L533 HydrophobicContact CE3-CD1 3.77Å; W529-L533 HydrophobicContact CH2-CD1 3.31Å; W529-L533 HydrophobicContact CZ2-CD1 3.26Å; W529-L533 HydrophobicContact CZ3-CD1 3.56Å; W529-L533 PolarHBondContact O-N 3.15Å; W529-A551 VanDerWaalsContact CD1-O 3.24Å; W529-A551 PolarHBondContact NE1-O 3.22Å; W529-I554 HydrophobicContact CB-CG2 3.76Å; W529-I554 HydrophobicContact CG-CG2 4.27Å; W529-L555 HydrophobicContact CZ2-CD1 4.41Å; W529-M568 HydrophobicContact CB-CE 3.91Å; W529-M568 HydrophobicContact CD2-CE 3.28Å; W529-M568 HydrophobicContact CD2-CG 4.47Å; W529-M568 HydrophobicContact CD2-SD 4.32Å; W529-M568 HydrophobicContact CE3-CE 3.56Å; W529-M568 HydrophobicContact CE3-CG 3.77Å; W529-M568 HydrophobicContact CE3-SD 4.03Å; W529-M568 HydrophobicContact CG-CE 3.44Å; W529-M568 VanDerWaalsContact CG-CE 3.44Å; W529-M568 HydrophobicContact CH2-CB 4.41Å; W529-M568 HydrophobicContact CH2-CG 4.29Å; W529-M568 WeakPolarHBondContact CH2-O 3.39Å; W529-M568 HydrophobicContact CZ2-CE 4.29Å; W529-M568 HydrophobicContact CZ3-CB 4.27Å; W529-M568 HydrophobicContact CZ3-CE 4.19Å; W529-M568 HydrophobicContact CZ3-CG 3.68Å; W529-N571 HydrophobicContact CH2-CB 3.59Å; W529-N571 HydrophobicContact CZ3-CB 4.04Å; W529-A572 HydrophobicContact CZ2-CB 4.39Å |
| 530 | Q | 82.7 | Confident | 78 | Confident | 117 Ų | 117 | 55 Ų | 55 | 55% | 0.547 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60 | -31.5 | 175.6 | -77 | -167.6 | -5.9 | 0 | 0 | 112.6 | Q526 I528 S534 | Q526-Q530 WeakPolarHBondContact O-CG 3.23Å; Q526-Q530 PolarHBondContact O-N 3.38Å; I528-Q530 PolarHBondContact O-N 3.41Å; Q530-S534 VanDerWaalsContact O-CB 3.26Å; Q530-S534 WeakPolarHBondContact O-CB 3.33Å; Q530-S534 PolarHBondContact O-N 3.38Å |
| 531 | R | 83.6 | Confident | 77.7 | Confident | 102 Ų | 102 | 64.7 Ų | 64.7 | 39% | 0.385 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -77.6 | -40.3 | 179.2 | -162.9 | 139.1 | 172.8 | 122.7 | -2 | 112.1 | L502 W511 K527 I528 W529 L533 S534 H535 | L502-R531 PolarHBondContact O-NE 3.01Å; L502-R531 VanDerWaalsContact O-NE 3.13Å; L502-R531 PolarHBondContact O-NH2 3.25Å; L502-R531 VanDerWaalsContact O-NH2 3.16Å; W511-R531 HydrophobicContact CH2-CB 4.23Å; W511-R531 HydrophobicContact CH2-CG 3.54Å; W511-R531 HydrophobicContact CZ2-CG 3.8Å; W511-R531 VanDerWaalsContact CZ3-C 3.44Å; W511-R531 HydrophobicContact CZ3-CB 4.36Å; W511-R531 HydrophobicContact CZ3-CG 4.14Å; W511-R531 WeakPolarHBondContact CZ3-O 3.19Å; K527-R531 VanDerWaalsContact O-CB 3.31Å; K527-R531 WeakPolarHBondContact O-CB 3.06Å; K527-R531 PolarHBondContact O-N 2.96Å; I528-R531 PolarHBondContact O-N 3.03Å; I528-R531 VanDerWaalsContact O-N 3.1Å; W529-R531 PolarHBondContact O-N 3.05Å; R531-L533 VanDerWaalsContact C-N 3.27Å; R531-L533 PolarHBondContact O-N 3.41Å; R531-S534 PolarHBondContact O-N 3.26Å; R531-H535 WeakPolarHBondContact O-CB 3.26Å; R531-H535 PolarHBondContact O-N 2.77Å |
| 532 | A | 81 | Confident | 77 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -51 | -49.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | W511 I528 W529 H535 R536 A551 I554 | W511-A532 VanDerWaalsContact CE3-CA 3.49Å; W511-A532 HydrophobicContact CE3-CB 3.81Å; W511-A532 HydrophobicContact CZ3-CB 4.22Å; W511-A532 VanDerWaalsContact CZ3-N 3.32Å; I528-A532 PolarHBondContact O-N 3.18Å; W529-A532 WeakPolarHBondContact O-CB 3.18Å; W529-A532 PolarHBondContact O-N 2.86Å; A532-H535 PolarHBondContact O-N 3.3Å; A532-R536 PolarHBondContact O-N 2.79Å; A532-R536 VanDerWaalsContact O-N 3.07Å; A532-A551 HydrophobicContact CB-CB 4.14Å; A532-I554 HydrophobicContact CB-CD1 4.33Å |
| 533 | L | 81.1 | Confident | 76.6 | Confident | 21 Ų | 21 | 68.2 Ų | 68.2 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.2 | -48.7 | 178.2 | -98.5 | 161.6 | 0 | 0 | 0 | 114.4 | W529 R531 H535 R536 K537 L575 W581 | W529-L533 HydrophobicContact CD2-CD1 3.74Å; W529-L533 VanDerWaalsContact CE2-CD1 3.45Å; W529-L533 HydrophobicContact CE3-CD1 3.77Å; W529-L533 HydrophobicContact CH2-CD1 3.31Å; W529-L533 HydrophobicContact CZ2-CD1 3.26Å; W529-L533 HydrophobicContact CZ3-CD1 3.56Å; W529-L533 PolarHBondContact O-N 3.15Å; R531-L533 VanDerWaalsContact C-N 3.27Å; R531-L533 PolarHBondContact O-N 3.41Å; L533-H535 PolarHBondContact O-N 3.41Å; L533-R536 PolarHBondContact O-N 3Å; L533-K537 WeakPolarHBondContact O-CB 3.41Å; L533-K537 PolarHBondContact O-N 2.54Å; L533-L575 HydrophobicContact CD1-CD1 3.63Å; L533-L575 HydrophobicContact CD2-CD1 3.21Å; L533-L575 HydrophobicContact CD2-CD2 3.41Å; L533-L575 VanDerWaalsContact CD2-CD2 3.41Å; L533-L575 HydrophobicContact CD2-CG 3.91Å; L533-L575 HydrophobicContact CG-CD1 3.98Å; L533-W581 HydrophobicContact CD2-CH2 4.42Å |
| 534 | S | 80.4 | Confident | 76.3 | Confident | 63 Ų | 63 | 65 Ų | 65 | 44% | 0.441 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.9 | -36.5 | 178.7 | -174.3 | 0 | 0 | 0 | 0 | 111.3 | Q530 R531 N538 | Q530-S534 VanDerWaalsContact O-CB 3.26Å; Q530-S534 WeakPolarHBondContact O-CB 3.33Å; Q530-S534 PolarHBondContact O-N 3.38Å; R531-S534 PolarHBondContact O-N 3.26Å; S534-N538 WeakPolarHBondContact O-CB 3.5Å; S534-N538 PolarHBondContact O-N 3.15Å; S534-N538 PolarHBondContact O-ND2 3.01Å; S534-N538 PolarHBondContact OG-ND2 2.82Å |
| 535 | H | 80.2 | Confident | 75.9 | Confident | 37 Ų | 37 | 67.2 Ų | 67.2 | 17% | 0.171 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.5 | -46.1 | 177.2 | -158.3 | -86.9 | 0 | 0 | 0 | 112.1 | N506 W511 R531 A532 L533 K537 N538 N539 Y547 | N506-H535 PolarHBondContact ND2-CD2 3.07Å; N506-H535 PolarHBondContact ND2-NE2 2.88Å; W511-H535 HydrophobicContact CH2-CB 4.19Å; W511-H535 HydrophobicContact CZ3-CB 4.06Å; R531-H535 WeakPolarHBondContact O-CB 3.26Å; R531-H535 PolarHBondContact O-N 2.77Å; A532-H535 PolarHBondContact O-N 3.3Å; L533-H535 PolarHBondContact O-N 3.41Å; H535-K537 VanDerWaalsContact C-N 3.3Å; H535-K537 PolarHBondContact O-N 2.83Å; H535-N538 PolarHBondContact O-N 3.4Å; H535-N539 PolarHBondContact CE1-ND2 3.5Å; H535-N539 PolarHBondContact NE2-ND2 3.39Å; H535-N539 WeakPolarHBondContact O-CB 3.4Å; H535-N539 PolarHBondContact O-N 3.18Å; H535-Y547 HydrophobicContact CB-CD1 4.1Å; H535-Y547 HydrophobicContact CB-CE1 3.9Å; H535-Y547 AromaticContact CE1-CE2 3.97Å; H535-Y547 AromaticContact CE1-CZ 3.58Å; H535-Y547 PolarHBondContact CE1-OH 3.2Å; H535-Y547 VanDerWaalsContact CE1-OH 3.26Å; H535-Y547 AromaticContact CG-CE1 3.75Å; H535-Y547 AromaticContact CG-CZ 3.87Å; H535-Y547 AromaticContact ND1-CE1 3.5Å; H535-Y547 AromaticContact ND1-CE2 3.53Å; H535-Y547 AromaticContact ND1-CZ 3.17Å; H535-Y547 PolarHBondContact ND1-OH 3.17Å |
| 536 | R | 73.9 | Confident | 75.7 | Confident | 21 Ų | 21 | 68.4 Ų | 68.4 | 8% | 0.079 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.6 | -39.2 | 174.9 | 178.1 | 59.3 | -178.3 | 83 | 3.1 | 112.5 | A532 L533 N539 S544 E548 E579 W581 | A532-R536 PolarHBondContact O-N 2.79Å; A532-R536 VanDerWaalsContact O-N 3.07Å; L533-R536 PolarHBondContact O-N 3Å; R536-N539 CarbonylContact O-C 3.2Å; R536-S544 VanDerWaalsContact CZ-CB 3.42Å; R536-E548 IonicContact CZ-OE1 3.31Å; R536-E548 IonicContact NE-OE1 3.2Å; R536-E548 PolarHBondContact NE-OE1 2.93Å; R536-E548 IonicContact NH2-OE1 2.85Å; R536-E548 PolarHBondContact NH2-OE1 3.01Å; R536-E579 IonicContact CZ-OE2 3.6Å; R536-E579 VanDerWaalsContact CZ-OE2 3.31Å; R536-E579 IonicContact NH1-OE2 3.2Å; R536-E579 PolarHBondContact NH1-OE2 3.23Å; R536-E579 IonicContact NH2-OE2 2.96Å; R536-E579 PolarHBondContact NH2-OE2 2.76Å; R536-W581 HydrophobicContact CG-CH2 4.07Å; R536-W581 HydrophobicContact CG-CZ2 3.8Å |
| 537 | K | 75.6 | Confident | 75.7 | Confident | 164 Ų | 164 | 67.4 Ų | 67.4 | 71% | 0.713 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69.6 | -35.6 | 178.9 | -153.5 | 177.6 | -171.7 | 176.5 | 0 | 112.6 | L533 H535 | L533-K537 WeakPolarHBondContact O-CB 3.41Å; L533-K537 PolarHBondContact O-N 2.54Å; H535-K537 VanDerWaalsContact C-N 3.3Å; H535-K537 PolarHBondContact O-N 2.83Å |
| 538 | N | 78.5 | Confident | 75.4 | Confident | 113 Ų | 113 | 64.8 Ų | 64.8 | 60% | 0.604 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -85.7 | -21.6 | 179.2 | -67.5 | -35 | 0 | 0 | 0 | 113.4 | S534 H535 P540 | S534-N538 WeakPolarHBondContact O-CB 3.5Å; S534-N538 PolarHBondContact O-N 3.15Å; S534-N538 PolarHBondContact O-ND2 3.01Å; S534-N538 PolarHBondContact OG-ND2 2.82Å; H535-N538 PolarHBondContact O-N 3.4Å; N538-P540 VanDerWaalsContact C-CD 3.46Å |
| 539 | N | 73.3 | Confident | 75 | Confident | 74 Ų | 74 | 67.4 Ų | 67.4 | 40% | 0.396 | 36% | 0.361 | S | S | . | . | trans | -126.2 | 66.2 | -179.7 | -67.5 | -63.2 | 0 | 0 | 0 | 112.8 | H535 R536 K541 | H535-N539 PolarHBondContact CE1-ND2 3.5Å; H535-N539 PolarHBondContact NE2-ND2 3.39Å; H535-N539 WeakPolarHBondContact O-CB 3.4Å; H535-N539 PolarHBondContact O-N 3.18Å; R536-N539 CarbonylContact O-C 3.2Å; N539-K541 PolarHBondContact O-N 2.95Å | ||
| 540 | P | 67.9 | Low | 74.7 | Confident | 76 Ų | 76 | 67.3 Ų | 67.3 | 49% | 0.494 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -2.2 | -174.4 | 25.1 | -33.6 | 0 | 0 | 0 | 116.1 | N538 | N538-P540 VanDerWaalsContact C-CD 3.46Š|
| 541 | K | 65.5 | Low | 74.6 | Confident | 208 Ų | 208 | 61.8 Ų | 61.8 | 90% | 0.904 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -7.1 | -173.5 | -70.2 | -171.8 | 176.8 | -176.7 | 0 | 115.6 | N539 | N539-K541 PolarHBondContact O-N 2.95Š|
| 542 | A | 57.1 | Low | 74.3 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 53% | 0.529 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -132.2 | 121.2 | -175 | 0 | 0 | 0 | 0 | 0 | 110.8 | S544 | A542-S544 PolarHBondContact O-N 3.45Š|
| 543 | D | 63.4 | Low | 74.2 | Confident | 117 Ų | 117 | 61 Ų | 61 | 63% | 0.626 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 52.5 | 32.7 | 179.6 | -100.3 | -19.4 | 0 | 0 | 0 | 115.5 | A545 A546 Y547 | D543-A545 VanDerWaalsContact C-N 3.27Å; D543-A545 PolarHBondContact O-N 2.96Å; D543-A546 HydrophobicContact CB-CB 4.15Å; D543-A546 PolarHBondContact O-N 3.2Å; D543-Y547 HydrophobicContact CB-CD2 4.34Å; D543-Y547 HydrophobicContact CB-CE2 4.32Å; D543-Y547 WeakPolarHBondContact O-CD2 3.38Å; D543-Y547 PolarHBondContact O-N 3.44Å; D543-Y547 VanDerWaalsContact O-N 3.13Å |
| 544 | S | 67.7 | Low | 74.2 | Confident | 40 Ų | 40 | 60 Ų | 60 | 28% | 0.28 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -48.2 | -49.7 | 179.8 | 49.8 | 0 | 0 | 0 | 0 | 112.4 | R536 A542 A546 Y547 E548 | R536-S544 VanDerWaalsContact CZ-CB 3.42Å; A542-S544 PolarHBondContact O-N 3.45Å; S544-A546 VanDerWaalsContact C-N 3.31Å; S544-A546 PolarHBondContact O-N 3.45Å; S544-Y547 PolarHBondContact O-N 2.63Å; S544-E548 WeakPolarHBondContact O-CB 3.47Å; S544-E548 VanDerWaalsContact O-CG 3.25Å; S544-E548 WeakPolarHBondContact O-CG 3.15Å; S544-E548 PolarHBondContact O-N 3.35Å |
| 545 | A | 71.9 | Confident | 74.2 | Confident | 56 Ų | 56 | 57 Ų | 57 | 46% | 0.463 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.8 | -34.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D543 E548 T549 | D543-A545 VanDerWaalsContact C-N 3.27Å; D543-A545 PolarHBondContact O-N 2.96Å; A545-E548 PolarHBondContact O-N 3.21Å; A545-T549 WeakPolarHBondContact O-CB 3.25Å; A545-T549 PolarHBondContact O-N 3.4Å; A545-T549 PolarHBondContact O-OG1 2.63Å |
| 546 | A | 75.4 | Confident | 73.9 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 26% | 0.264 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -72.7 | -43.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P508 D543 S544 E548 S550 | P508-A546 HydrophobicContact CB-CB 4.24Å; P508-A546 WeakPolarHBondContact CB-O 3.15Å; P508-A546 HydrophobicContact CG-CB 3.64Å; D543-A546 HydrophobicContact CB-CB 4.15Å; D543-A546 PolarHBondContact O-N 3.2Å; S544-A546 VanDerWaalsContact C-N 3.31Å; S544-A546 PolarHBondContact O-N 3.45Å; A546-E548 VanDerWaalsContact C-N 3.31Å; A546-S550 VanDerWaalsContact O-CB 3.22Å; A546-S550 WeakPolarHBondContact O-CB 3.39Å; A546-S550 PolarHBondContact O-N 3.41Å |
| 547 | Y | 78.9 | Confident | 73.8 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 6% | 0.055 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.5 | -32.1 | 172.8 | -73.9 | -83.5 | 0 | 0 | 0 | 112.3 | N506 P508 W511 H535 D543 S544 A551 | N506-Y547 PolarHBondContact O-OH 3.34Å; P508-Y547 HydrophobicContact CB-CD1 3.78Å; P508-Y547 HydrophobicContact CB-CD2 4.29Å; P508-Y547 HydrophobicContact CB-CE1 4.01Å; P508-Y547 HydrophobicContact CB-CE2 4.49Å; P508-Y547 HydrophobicContact CB-CG 3.93Å; P508-Y547 HydrophobicContact CG-CD1 4.26Å; P508-Y547 HydrophobicContact CG-CD2 4.03Å; P508-Y547 HydrophobicContact CG-CE1 4.18Å; P508-Y547 HydrophobicContact CG-CE2 3.92Å; P508-Y547 HydrophobicContact CG-CG 4.18Å; W511-Y547 HydrophobicContact CE3-CD1 4.25Å; W511-Y547 HydrophobicContact CE3-CE1 4.03Å; W511-Y547 HydrophobicContact CH2-CE1 4.19Å; W511-Y547 AromaticContact CZ3-CD1 3.94Å; W511-Y547 HydrophobicContact CZ3-CD1 3.94Å; W511-Y547 AromaticContact CZ3-CE1 3.56Å; W511-Y547 HydrophobicContact CZ3-CE1 3.56Å; H535-Y547 HydrophobicContact CB-CD1 4.1Å; H535-Y547 HydrophobicContact CB-CE1 3.9Å; H535-Y547 AromaticContact CE1-CE2 3.97Å; H535-Y547 AromaticContact CE1-CZ 3.58Å; H535-Y547 PolarHBondContact CE1-OH 3.2Å; H535-Y547 VanDerWaalsContact CE1-OH 3.26Å; H535-Y547 AromaticContact CG-CE1 3.75Å; H535-Y547 AromaticContact CG-CZ 3.87Å; H535-Y547 AromaticContact ND1-CE1 3.5Å; H535-Y547 AromaticContact ND1-CE2 3.53Å; H535-Y547 AromaticContact ND1-CZ 3.17Å; H535-Y547 PolarHBondContact ND1-OH 3.17Å; D543-Y547 HydrophobicContact CB-CD2 4.34Å; D543-Y547 HydrophobicContact CB-CE2 4.32Å; D543-Y547 WeakPolarHBondContact O-CD2 3.38Å; D543-Y547 PolarHBondContact O-N 3.44Å; D543-Y547 VanDerWaalsContact O-N 3.13Å; S544-Y547 PolarHBondContact O-N 2.63Å; Y547-A551 WeakPolarHBondContact O-CB 3.25Å; Y547-A551 PolarHBondContact O-N 2.77Å |
| 548 | E | 76.2 | Confident | 73.8 | Confident | 39 Ų | 39 | 50.4 Ų | 50.4 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.1 | -53.7 | 172.9 | -81.6 | 162.3 | -163 | 0 | 0 | 111.8 | R536 S544 A545 A546 S550 A551 D552 W581 | R536-E548 IonicContact CZ-OE1 3.31Å; R536-E548 IonicContact NE-OE1 3.2Å; R536-E548 PolarHBondContact NE-OE1 2.93Å; R536-E548 IonicContact NH2-OE1 2.85Å; R536-E548 PolarHBondContact NH2-OE1 3.01Å; S544-E548 WeakPolarHBondContact O-CB 3.47Å; S544-E548 VanDerWaalsContact O-CG 3.25Å; S544-E548 WeakPolarHBondContact O-CG 3.15Å; S544-E548 PolarHBondContact O-N 3.35Å; A545-E548 PolarHBondContact O-N 3.21Å; A546-E548 VanDerWaalsContact C-N 3.31Å; E548-S550 VanDerWaalsContact C-N 3.27Å; E548-S550 PolarHBondContact O-N 3.02Å; E548-A551 PolarHBondContact O-N 3.2Å; E548-D552 WeakPolarHBondContact O-CB 3.18Å; E548-D552 PolarHBondContact O-N 2.91Å; E548-W581 HydrophobicContact CB-CE3 3.92Å; E548-W581 HydrophobicContact CB-CH2 3.95Å; E548-W581 HydrophobicContact CB-CZ3 3.64Å; E548-W581 HydrophobicContact CG-CD2 3.79Å; E548-W581 HydrophobicContact CG-CE3 3.57Å; E548-W581 HydrophobicContact CG-CH2 3.21Å; E548-W581 HydrophobicContact CG-CZ2 3.36Å; E548-W581 HydrophobicContact CG-CZ3 3.33Å |
| 549 | T | 75.3 | Confident | 73.5 | Confident | 55 Ų | 55 | 45.3 Ų | 45.3 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 176.5 | -50.5 | 0 | 0 | 0 | 0 | 110.7 | A545 D552 M553 | A545-T549 WeakPolarHBondContact O-CB 3.25Å; A545-T549 PolarHBondContact O-N 3.4Å; A545-T549 PolarHBondContact O-OG1 2.63Å; T549-D552 PolarHBondContact O-N 2.82Å; T549-M553 HydrophobicContact CG2-CG 4.42Å; T549-M553 HydrophobicContact CG2-SD 4.28Å; T549-M553 WeakPolarHBondContact O-CB 3.32Å; T549-M553 VanDerWaalsContact O-CG 3.24Å; T549-M553 WeakPolarHBondContact O-CG 3.33Å; T549-M553 PolarHBondContact O-N 2.82Å |
| 550 | S | 79.3 | Confident | 72.9 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.2 | -49.3 | 176 | -178.4 | 0 | 0 | 0 | 0 | 112 | P508 S512 A546 E548 D552 M553 I554 | P508-S550 WeakPolarHBondContact O-CB 3.11Å; P508-S550 PolarHBondContact O-OG 2.77Å; S512-S550 PolarHBondContact N-OG 3.48Å; S512-S550 WeakPolarHBondContact OG-CA 3.18Å; S512-S550 WeakPolarHBondContact OG-CB 3.39Å; S512-S550 PolarHBondContact OG-OG 2.8Å; A546-S550 VanDerWaalsContact O-CB 3.22Å; A546-S550 WeakPolarHBondContact O-CB 3.39Å; A546-S550 PolarHBondContact O-N 3.41Å; E548-S550 VanDerWaalsContact C-N 3.27Å; E548-S550 PolarHBondContact O-N 3.02Å; S550-D552 VanDerWaalsContact C-N 3.27Å; S550-D552 PolarHBondContact O-N 2.8Å; S550-M553 PolarHBondContact O-N 3.24Å; S550-I554 WeakPolarHBondContact O-CB 3.48Å; S550-I554 VanDerWaalsContact O-CD1 3.28Å; S550-I554 WeakPolarHBondContact O-CD1 3.39Å; S550-I554 WeakPolarHBondContact O-CG1 3.32Å; S550-I554 PolarHBondContact O-N 3.17Å |
| 551 | A | 81.1 | Confident | 72.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.8 | -36.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | W529 A532 Y547 E548 L555 W581 | W529-A551 VanDerWaalsContact CD1-O 3.24Å; W529-A551 PolarHBondContact NE1-O 3.22Å; A532-A551 HydrophobicContact CB-CB 4.14Å; Y547-A551 WeakPolarHBondContact O-CB 3.25Å; Y547-A551 PolarHBondContact O-N 2.77Å; E548-A551 PolarHBondContact O-N 3.2Å; A551-L555 VanDerWaalsContact O-CB 3.32Å; A551-L555 WeakPolarHBondContact O-CB 3.34Å; A551-L555 PolarHBondContact O-N 2.73Å; A551-W581 HydrophobicContact CB-CZ3 4.17Å |
| 552 | D | 77.4 | Confident | 72.6 | Confident | 14 Ų | 14 | 39.8 Ų | 39.8 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.8 | -48.1 | 175.4 | -177.1 | 50.2 | 0 | 0 | 0 | 112.4 | E548 T549 S550 I554 L555 S556 F583 L584 A587 | E548-D552 WeakPolarHBondContact O-CB 3.18Å; E548-D552 PolarHBondContact O-N 2.91Å; T549-D552 PolarHBondContact O-N 2.82Å; S550-D552 VanDerWaalsContact C-N 3.27Å; S550-D552 PolarHBondContact O-N 2.8Å; D552-I554 VanDerWaalsContact C-N 3.34Å; D552-I554 PolarHBondContact O-N 2.74Å; D552-L555 PolarHBondContact O-N 3.2Å; D552-L555 VanDerWaalsContact O-N 3.16Å; D552-S556 WeakPolarHBondContact O-CB 3.41Å; D552-S556 PolarHBondContact O-N 3.05Å; D552-F583 HydrophobicContact CB-CB 4.4Å; D552-L584 WeakPolarHBondContact OD1-CA 3.49Å; D552-A587 WeakPolarHBondContact OD1-CB 3.23Å |
| 553 | M | 77.7 | Confident | 73.2 | Confident | 73 Ų | 73 | 39.2 Ų | 39.2 | 36% | 0.36 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 176.2 | -71.2 | -177.8 | 89.7 | 0 | 0 | 112 | T549 S550 L555 E557 | T549-M553 HydrophobicContact CG2-CG 4.42Å; T549-M553 HydrophobicContact CG2-SD 4.28Å; T549-M553 WeakPolarHBondContact O-CB 3.32Å; T549-M553 VanDerWaalsContact O-CG 3.24Å; T549-M553 WeakPolarHBondContact O-CG 3.33Å; T549-M553 PolarHBondContact O-N 2.82Å; S550-M553 PolarHBondContact O-N 3.24Å; M553-L555 VanDerWaalsContact C-N 3.33Å; M553-E557 WeakPolarHBondContact O-CB 3.2Å; M553-E557 PolarHBondContact O-N 3.22Å |
| 554 | I | 81.3 | Confident | 73.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -40.7 | 176.6 | -62.6 | 160.6 | 0 | 0 | 0 | 110.3 | W511 A515 I528 W529 A532 S550 D552 L558 | W511-I554 HydrophobicContact CB-CD1 4.31Å; A515-I554 HydrophobicContact CB-CB 3.98Å; A515-I554 HydrophobicContact CB-CG1 3.55Å; A515-I554 HydrophobicContact CB-CG2 3.68Å; I528-I554 HydrophobicContact CG2-CD1 3.83Å; W529-I554 HydrophobicContact CB-CG2 3.76Å; W529-I554 HydrophobicContact CG-CG2 4.27Å; A532-I554 HydrophobicContact CB-CD1 4.33Å; S550-I554 WeakPolarHBondContact O-CB 3.48Å; S550-I554 VanDerWaalsContact O-CD1 3.28Å; S550-I554 WeakPolarHBondContact O-CD1 3.39Å; S550-I554 WeakPolarHBondContact O-CG1 3.32Å; S550-I554 PolarHBondContact O-N 3.17Å; D552-I554 VanDerWaalsContact C-N 3.34Å; D552-I554 PolarHBondContact O-N 2.74Å; I554-L558 HydrophobicContact CG2-CD1 4.06Å; I554-L558 WeakPolarHBondContact O-CB 3.46Å; I554-L558 WeakPolarHBondContact O-CG 3.48Å; I554-L558 PolarHBondContact O-N 3.29Å |
| 555 | L | 81.3 | Confident | 74 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.6 | -46.6 | 178.2 | -172 | 66.2 | 0 | 0 | 0 | 111 | W529 A551 D552 M553 E557 L558 I559 V564 M568 A572 L584 | W529-L555 HydrophobicContact CZ2-CD1 4.41Å; A551-L555 VanDerWaalsContact O-CB 3.32Å; A551-L555 WeakPolarHBondContact O-CB 3.34Å; A551-L555 PolarHBondContact O-N 2.73Å; D552-L555 PolarHBondContact O-N 3.2Å; D552-L555 VanDerWaalsContact O-N 3.16Å; M553-L555 VanDerWaalsContact C-N 3.33Å; L555-E557 VanDerWaalsContact C-N 3.28Å; L555-E557 PolarHBondContact O-N 2.9Å; L555-L558 PolarHBondContact O-N 3.01Å; L555-I559 HydrophobicContact CD2-CD1 4.38Å; L555-I559 HydrophobicContact CG-CD1 3.86Å; L555-I559 HydrophobicContact CG-CG1 4.36Å; L555-I559 WeakPolarHBondContact O-CB 3.44Å; L555-I559 WeakPolarHBondContact O-CG1 3.29Å; L555-I559 PolarHBondContact O-N 2.69Å; L555-V564 HydrophobicContact CD1-CG1 3.96Å; L555-M568 HydrophobicContact CD1-CE 3.5Å; L555-M568 VanDerWaalsContact CD1-CE 3.5Å; L555-A572 HydrophobicContact CD2-CB 3.65Å; L555-L584 HydrophobicContact CD2-CD2 3.62Å; L555-L584 HydrophobicContact CD2-CG 4.27Å |
| 556 | S | 73.2 | Confident | 74.1 | Confident | 39 Ų | 39 | 38 Ų | 38 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.7 | -37.4 | 175.1 | -81.6 | 0 | 0 | 0 | 0 | 112.8 | D552 I559 S560 A587 | D552-S556 WeakPolarHBondContact O-CB 3.41Å; D552-S556 PolarHBondContact O-N 3.05Å; S556-I559 WeakPolarHBondContact O-CB 3.23Å; S556-I559 PolarHBondContact O-N 2.88Å; S556-S560 PolarHBondContact O-N 3.18Å; S556-S560 PolarHBondContact O-OG 3.28Å; S556-A587 WeakPolarHBondContact OG-CB 3.4Å |
| 557 | E | 71.8 | Confident | 74.2 | Confident | 44 Ų | 44 | 41.9 Ų | 41.9 | 21% | 0.206 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.8 | -44.1 | 176.1 | -163.6 | 72.8 | -151.1 | 0 | 0 | 111.5 | K516 M553 L555 I559 S560 H561 | K516-E557 HydrophobicContact CG-CG 4.31Å; M553-E557 WeakPolarHBondContact O-CB 3.2Å; M553-E557 PolarHBondContact O-N 3.22Å; L555-E557 VanDerWaalsContact C-N 3.28Å; L555-E557 PolarHBondContact O-N 2.9Å; E557-I559 PolarHBondContact O-N 2.93Å; E557-S560 PolarHBondContact O-N 2.71Å; E557-S560 PolarHBondContact O-OG 3.45Å; E557-H561 PolarHBondContact O-CD2 3.34Å; E557-H561 PolarHBondContact O-N 2.87Å; E557-H561 IonicContact OE1-CD2 3.66Å; E557-H561 IonicContact OE1-NE2 3.74Å; E557-H561 PolarHBondContact OE1-NE2 2.56Å |
| 558 | L | 76.6 | Confident | 74.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.4 | -38.5 | 173.8 | -77.4 | 167.8 | 0 | 0 | 0 | 111.5 | K525 I554 L555 G562 E563 V564 M568 | K525-L558 HydrophobicContact CB-CD1 4.33Å; K525-L558 HydrophobicContact CB-CD2 3.65Å; K525-L558 HydrophobicContact CB-CG 4.25Å; K525-L558 HydrophobicContact CD-CD2 3.75Å; K525-L558 HydrophobicContact CG-CD2 4.38Å; I554-L558 HydrophobicContact CG2-CD1 4.06Å; I554-L558 WeakPolarHBondContact O-CB 3.46Å; I554-L558 WeakPolarHBondContact O-CG 3.48Å; I554-L558 PolarHBondContact O-N 3.29Å; L555-L558 PolarHBondContact O-N 3.01Å; L558-G562 PolarHBondContact O-N 3.15Å; L558-E563 HydrophobicContact CD2-CB 3.82Å; L558-E563 WeakPolarHBondContact O-CA 3.29Å; L558-E563 PolarHBondContact O-N 2.8Å; L558-V564 HydrophobicContact CB-CG2 3.95Å; L558-V564 WeakPolarHBondContact O-CG2 3.43Å; L558-M568 HydrophobicContact CD1-CE 3.3Å; L558-M568 HydrophobicContact CD1-SD 3.84Å |
| 559 | I | 70.8 | Confident | 74.4 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.1 | -62.5 | 171.9 | -84.4 | 178 | 0 | 0 | 0 | 108.1 | L555 S556 E557 H561 G562 V564 L569 L588 W591 | L555-I559 HydrophobicContact CD2-CD1 4.38Å; L555-I559 HydrophobicContact CG-CD1 3.86Å; L555-I559 HydrophobicContact CG-CG1 4.36Å; L555-I559 WeakPolarHBondContact O-CB 3.44Å; L555-I559 WeakPolarHBondContact O-CG1 3.29Å; L555-I559 PolarHBondContact O-N 2.69Å; S556-I559 WeakPolarHBondContact O-CB 3.23Å; S556-I559 PolarHBondContact O-N 2.88Å; E557-I559 PolarHBondContact O-N 2.93Å; I559-H561 PolarHBondContact O-N 3.46Å; I559-G562 PolarHBondContact O-N 3.48Å; I559-V564 HydrophobicContact CB-CG2 4.03Å; I559-V564 HydrophobicContact CG1-CG2 3.47Å; I559-V564 VanDerWaalsContact CG1-CG2 3.47Å; I559-L569 HydrophobicContact CD1-CD2 4.22Å; I559-L569 HydrophobicContact CG1-CD2 4.39Å; I559-L588 HydrophobicContact CD1-CD2 4.38Å; I559-W591 HydrophobicContact CB-CD2 4.23Å; I559-W591 HydrophobicContact CB-CH2 4.3Å; I559-W591 HydrophobicContact CB-CZ2 4.01Å; I559-W591 HydrophobicContact CG1-CD2 4.26Å; I559-W591 HydrophobicContact CG1-CE3 4.17Å; I559-W591 HydrophobicContact CG1-CH2 4.34Å; I559-W591 HydrophobicContact CG1-CZ2 4.49Å; I559-W591 HydrophobicContact CG1-CZ3 4.18Å; I559-W591 HydrophobicContact CG2-CD2 3.42Å; I559-W591 VanDerWaalsContact CG2-CD2 3.42Å; I559-W591 HydrophobicContact CG2-CE3 4.17Å; I559-W591 HydrophobicContact CG2-CG 3.58Å; I559-W591 HydrophobicContact CG2-CH2 4.38Å; I559-W591 HydrophobicContact CG2-CZ2 3.74Å; I559-W591 WeakPolarHBondContact O-CH2 3.2Å; I559-W591 WeakPolarHBondContact O-CZ2 3.35Å |
| 560 | S | 62.1 | Low | 74.7 | Confident | 78 Ų | 78 | 39.3 Ų | 39.3 | 55% | 0.545 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.4 | -29.2 | -175.4 | 63.1 | 0 | 0 | 0 | 0 | 115.2 | S556 E557 | S556-S560 PolarHBondContact O-N 3.18Å; S556-S560 PolarHBondContact O-OG 3.28Å; E557-S560 PolarHBondContact O-N 2.71Å; E557-S560 PolarHBondContact O-OG 3.45Å |
| 561 | H | 63.8 | Low | 74.7 | Confident | 106 Ų | 106 | 42 Ų | 42 | 49% | 0.491 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 0.8 | 177.1 | -67.7 | -70.4 | 0 | 0 | 0 | 114.5 | E557 I559 E563 | E557-H561 PolarHBondContact O-CD2 3.34Å; E557-H561 PolarHBondContact O-N 2.87Å; E557-H561 IonicContact OE1-CD2 3.66Å; E557-H561 IonicContact OE1-NE2 3.74Å; E557-H561 PolarHBondContact OE1-NE2 2.56Å; I559-H561 PolarHBondContact O-N 3.46Å; H561-E563 VanDerWaalsContact C-N 3.25Å; H561-E563 HydrophobicContact CB-CB 4.43Å; H561-E563 HydrophobicContact CB-CG 3.93Å; H561-E563 PolarHBondContact O-N 2.77Å |
| 562 | G | 63.4 | Low | 74.5 | Confident | 59 Ų | 59 | 42 Ų | 42 | 61% | 0.608 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 24.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L558 I559 | L558-G562 PolarHBondContact O-N 3.15Å; I559-G562 PolarHBondContact O-N 3.48Å |
| 563 | E | 69.7 | Low | 74.5 | Confident | 52 Ų | 52 | 41.5 Ų | 41.5 | 24% | 0.243 | 23% | 0.234 | C | C | . | . | trans | -102.6 | 13.4 | -170.8 | -74.1 | -158.9 | 135.1 | 0 | 0 | 113.8 | T522 K525 L558 H561 | T522-E563 HydrophobicContact CG2-CB 3.67Å; T522-E563 HydrophobicContact CG2-CG 4.1Å; T522-E563 VanDerWaalsContact CG2-O 3.28Å; T522-E563 WeakPolarHBondContact CG2-O 3.27Å; T522-E563 PolarHBondContact OG1-OE1 2.74Å; K525-E563 IonicContact NZ-OE2 3.15Å; K525-E563 PolarHBondContact NZ-OE2 3.07Å; L558-E563 HydrophobicContact CD2-CB 3.82Å; L558-E563 WeakPolarHBondContact O-CA 3.29Å; L558-E563 PolarHBondContact O-N 2.8Å; H561-E563 VanDerWaalsContact C-N 3.25Å; H561-E563 HydrophobicContact CB-CB 4.43Å; H561-E563 HydrophobicContact CB-CG 3.93Å; H561-E563 PolarHBondContact O-N 2.77Å | ||
| 564 | V | 71.8 | Confident | 74.5 | Confident | 27 Ų | 27 | 40.1 Ų | 40.1 | 16% | 0.164 | 23% | 0.234 | C | C | . | . | trans | -91.1 | 135.6 | 178.9 | -150.8 | 0 | 0 | 0 | 0 | 110.9 | L555 L558 I559 M568 L569 W591 | L555-V564 HydrophobicContact CD1-CG1 3.96Å; L558-V564 HydrophobicContact CB-CG2 3.95Å; L558-V564 WeakPolarHBondContact O-CG2 3.43Å; I559-V564 HydrophobicContact CB-CG2 4.03Å; I559-V564 HydrophobicContact CG1-CG2 3.47Å; I559-V564 VanDerWaalsContact CG1-CG2 3.47Å; V564-M568 HydrophobicContact CG1-CB 3.66Å; V564-M568 HydrophobicContact CG1-CE 4.45Å; V564-L569 HydrophobicContact CB-CG 4.37Å; V564-L569 HydrophobicContact CG1-CD1 4.36Å; V564-L569 HydrophobicContact CG1-CD2 3.89Å; V564-L569 HydrophobicContact CG1-CG 3.7Å; V564-W591 HydrophobicContact CG2-CH2 4.36Å | ||
| 565 | D | 75.5 | Confident | 74.1 | Confident | 62 Ų | 62 | 41.5 Ų | 41.5 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | trans | -90.3 | 158.4 | 167.7 | 67 | 43 | 0 | 0 | 0 | 112 | Q526 Q567 M568 L569 | Q526-D565 PolarHBondContact NE2-OD2 2.9Å; D565-Q567 PolarHBondContact O-N 3.48Å; D565-Q567 VanDerWaalsContact O-N 3.1Å; D565-Q567 WeakPolarHBondContact OD1-CA 3.4Å; D565-Q567 WeakPolarHBondContact OD1-CB 3.45Å; D565-Q567 PolarHBondContact OD1-N 3.31Å; D565-Q567 VanDerWaalsContact OD1-N 3.08Å; D565-M568 PolarHBondContact O-N 2.71Å; D565-M568 VanDerWaalsContact O-N 3.14Å; D565-M568 PolarHBondContact OD1-N 2.94Å; D565-L569 PolarHBondContact O-N 3.12Å | ||
| 566 | D | 74.3 | Confident | 73.7 | Confident | 97 Ų | 97 | 42.4 Ų | 42.4 | 52% | 0.519 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.6 | -29.7 | 179.4 | -70.7 | -20.8 | 0 | 0 | 0 | 112.5 | L570 P595 | D566-L570 WeakPolarHBondContact O-CB 3.42Å; D566-L570 WeakPolarHBondContact O-CG 3.5Å; D566-L570 PolarHBondContact O-N 2.8Å; D566-P595 WeakPolarHBondContact OD1-CG 3.09Å |
| 567 | Q | 77.1 | Confident | 73.4 | Confident | 114 Ų | 114 | 47.4 Ų | 47.4 | 53% | 0.533 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -74.4 | -36.5 | -178.3 | -168.7 | 65.6 | 52.3 | 0 | 0 | 111.9 | D565 L570 N571 | D565-Q567 PolarHBondContact O-N 3.48Å; D565-Q567 VanDerWaalsContact O-N 3.1Å; D565-Q567 WeakPolarHBondContact OD1-CA 3.4Å; D565-Q567 WeakPolarHBondContact OD1-CB 3.45Å; D565-Q567 PolarHBondContact OD1-N 3.31Å; D565-Q567 VanDerWaalsContact OD1-N 3.08Å; Q567-L570 PolarHBondContact O-N 2.8Å; Q567-N571 PolarHBondContact NE2-OD1 2.94Å; Q567-N571 WeakPolarHBondContact O-CB 3.39Å; Q567-N571 PolarHBondContact O-N 3.22Å; Q567-N571 PolarHBondContact O-ND2 3.34Å; Q567-N571 PolarHBondContact O-OD1 2.9Å |
| 568 | M | 79.6 | Confident | 73.2 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.025 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 173.1 | -90.4 | -168.8 | 64 | 0 | 0 | 111.4 | Q526 W529 L555 L558 V564 D565 L570 N571 A572 | Q526-M568 HydrophobicContact CB-SD 4.22Å; Q526-M568 HydrophobicContact CG-SD 3.71Å; W529-M568 HydrophobicContact CB-CE 3.91Å; W529-M568 HydrophobicContact CD2-CE 3.28Å; W529-M568 HydrophobicContact CD2-CG 4.47Å; W529-M568 HydrophobicContact CD2-SD 4.32Å; W529-M568 HydrophobicContact CE3-CE 3.56Å; W529-M568 HydrophobicContact CE3-CG 3.77Å; W529-M568 HydrophobicContact CE3-SD 4.03Å; W529-M568 HydrophobicContact CG-CE 3.44Å; W529-M568 VanDerWaalsContact CG-CE 3.44Å; W529-M568 HydrophobicContact CH2-CB 4.41Å; W529-M568 HydrophobicContact CH2-CG 4.29Å; W529-M568 WeakPolarHBondContact CH2-O 3.39Å; W529-M568 HydrophobicContact CZ2-CE 4.29Å; W529-M568 HydrophobicContact CZ3-CB 4.27Å; W529-M568 HydrophobicContact CZ3-CE 4.19Å; W529-M568 HydrophobicContact CZ3-CG 3.68Å; L555-M568 HydrophobicContact CD1-CE 3.5Å; L555-M568 VanDerWaalsContact CD1-CE 3.5Å; L558-M568 HydrophobicContact CD1-CE 3.3Å; L558-M568 HydrophobicContact CD1-SD 3.84Å; V564-M568 HydrophobicContact CG1-CB 3.66Å; V564-M568 HydrophobicContact CG1-CE 4.45Å; D565-M568 PolarHBondContact O-N 2.71Å; D565-M568 VanDerWaalsContact O-N 3.14Å; D565-M568 PolarHBondContact OD1-N 2.94Å; M568-L570 VanDerWaalsContact C-N 3.34Å; M568-L570 PolarHBondContact O-N 2.64Å; M568-N571 PolarHBondContact O-N 3.35Å; M568-A572 WeakPolarHBondContact O-CB 3.44Å; M568-A572 PolarHBondContact O-N 3.26Å |
| 569 | L | 78.9 | Confident | 72.5 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.6 | -35.8 | 177.8 | -63.8 | 169.5 | 0 | 0 | 0 | 112.3 | I559 V564 D565 A572 T573 L588 L594 P595 V598 | I559-L569 HydrophobicContact CD1-CD2 4.22Å; I559-L569 HydrophobicContact CG1-CD2 4.39Å; V564-L569 HydrophobicContact CB-CG 4.37Å; V564-L569 HydrophobicContact CG1-CD1 4.36Å; V564-L569 HydrophobicContact CG1-CD2 3.89Å; V564-L569 HydrophobicContact CG1-CG 3.7Å; D565-L569 PolarHBondContact O-N 3.12Å; L569-A572 WeakPolarHBondContact O-CB 3.43Å; L569-A572 PolarHBondContact O-N 2.8Å; L569-T573 PolarHBondContact O-N 3.48Å; L569-T573 PolarHBondContact O-OG1 2.82Å; L569-L588 HydrophobicContact CD2-CD2 3.64Å; L569-L594 HydrophobicContact CD1-CD2 4.39Å; L569-L594 HydrophobicContact CD2-CD2 4.23Å; L569-P595 HydrophobicContact CD1-CG 3.7Å; L569-V598 HydrophobicContact CB-CB 4.43Å; L569-V598 HydrophobicContact CB-CG1 4.17Å; L569-V598 HydrophobicContact CB-CG2 3.38Å; L569-V598 HydrophobicContact CD1-CG2 4.11Å; L569-V598 HydrophobicContact CG-CG2 4.36Å |
| 570 | L | 81 | Confident | 72 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 170.9 | -89 | 169.2 | 0 | 0 | 0 | 112.7 | D566 Q567 M568 T573 A574 V597 E601 | D566-L570 WeakPolarHBondContact O-CB 3.42Å; D566-L570 WeakPolarHBondContact O-CG 3.5Å; D566-L570 PolarHBondContact O-N 2.8Å; Q567-L570 PolarHBondContact O-N 2.8Å; M568-L570 VanDerWaalsContact C-N 3.34Å; M568-L570 PolarHBondContact O-N 2.64Å; L570-T573 WeakPolarHBondContact CA-OG1 3.48Å; L570-T573 PolarHBondContact O-N 3.23Å; L570-T573 PolarHBondContact O-OG1 3.48Å; L570-A574 WeakPolarHBondContact O-CB 2.98Å; L570-A574 PolarHBondContact O-N 2.99Å; L570-V597 HydrophobicContact CD1-CG1 3.95Å; L570-V597 HydrophobicContact CD2-CG1 3.71Å; L570-V597 HydrophobicContact CG-CG1 4.06Å; L570-E601 HydrophobicContact CD2-CG 4.3Å |
| 571 | N | 79.3 | Confident | 72.1 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 32% | 0.316 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 177.1 | -72.2 | -17 | 0 | 0 | 0 | 110.9 | W529 Q567 M568 A574 L575 | W529-N571 HydrophobicContact CH2-CB 3.59Å; W529-N571 HydrophobicContact CZ3-CB 4.04Å; Q567-N571 PolarHBondContact NE2-OD1 2.94Å; Q567-N571 WeakPolarHBondContact O-CB 3.39Å; Q567-N571 PolarHBondContact O-N 3.22Å; Q567-N571 PolarHBondContact O-ND2 3.34Å; Q567-N571 PolarHBondContact O-OD1 2.9Å; M568-N571 PolarHBondContact O-N 3.35Å; N571-A574 PolarHBondContact O-N 3.29Å; N571-L575 VanDerWaalsContact O-CD1 3.23Å; N571-L575 WeakPolarHBondContact O-CD1 3.46Å; N571-L575 VanDerWaalsContact O-CG 3.26Å; N571-L575 WeakPolarHBondContact O-CG 3.46Å; N571-L575 PolarHBondContact O-N 2.96Å |
| 572 | A | 77.6 | Confident | 72.2 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.1 | -49.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W529 L555 M568 L569 A574 L575 I576 L584 L588 | W529-A572 HydrophobicContact CZ2-CB 4.39Å; L555-A572 HydrophobicContact CD2-CB 3.65Å; M568-A572 WeakPolarHBondContact O-CB 3.44Å; M568-A572 PolarHBondContact O-N 3.26Å; L569-A572 WeakPolarHBondContact O-CB 3.43Å; L569-A572 PolarHBondContact O-N 2.8Å; A572-A574 VanDerWaalsContact C-N 3.35Å; A572-A574 PolarHBondContact O-N 3.42Å; A572-L575 WeakPolarHBondContact O-CB 3.34Å; A572-L575 PolarHBondContact O-N 2.99Å; A572-L575 VanDerWaalsContact O-N 3.12Å; A572-I576 PolarHBondContact O-N 3.34Å; A572-L584 HydrophobicContact CB-CD2 3.41Å; A572-L584 VanDerWaalsContact CB-CD2 3.41Å; A572-L588 HydrophobicContact CB-CD1 4.36Å |
| 573 | T | 77.8 | Confident | 72.3 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64 | -36.9 | 177.2 | 41.5 | 0 | 0 | 0 | 0 | 113.1 | L569 L570 L575 I576 R577 L588 V598 E601 L602 | L569-T573 PolarHBondContact O-N 3.48Å; L569-T573 PolarHBondContact O-OG1 2.82Å; L570-T573 WeakPolarHBondContact CA-OG1 3.48Å; L570-T573 PolarHBondContact O-N 3.23Å; L570-T573 PolarHBondContact O-OG1 3.48Å; T573-L575 PolarHBondContact O-N 3.2Å; T573-I576 PolarHBondContact O-N 2.77Å; T573-R577 PolarHBondContact O-N 3.13Å; T573-L588 HydrophobicContact CG2-CD1 3.92Å; T573-V598 HydrophobicContact CG2-CG1 3.64Å; T573-E601 HydrophobicContact CG2-CB 4.27Å; T573-L602 HydrophobicContact CG2-CD2 3.84Å; T573-L602 HydrophobicContact CG2-CG 3.8Å |
| 574 | A | 77.3 | Confident | 72.2 | Confident | 44 Ų | 44 | 60.7 Ų | 60.7 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.3 | -27.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L570 N571 A572 L578 | L570-A574 WeakPolarHBondContact O-CB 2.98Å; L570-A574 PolarHBondContact O-N 2.99Å; N571-A574 PolarHBondContact O-N 3.29Å; A572-A574 VanDerWaalsContact C-N 3.35Å; A572-A574 PolarHBondContact O-N 3.42Å; A574-L578 WeakPolarHBondContact O-CG 3.38Å |
| 575 | L | 73.6 | Confident | 72.1 | Confident | 30 Ų | 30 | 61.8 Ų | 61.8 | 16% | 0.157 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -78.6 | -41.7 | 178.4 | -68.3 | 153.4 | 0 | 0 | 0 | 112.3 | L533 N571 A572 T573 R577 L578 E579 | L533-L575 HydrophobicContact CD1-CD1 3.63Å; L533-L575 HydrophobicContact CD2-CD1 3.21Å; L533-L575 HydrophobicContact CD2-CD2 3.41Å; L533-L575 VanDerWaalsContact CD2-CD2 3.41Å; L533-L575 HydrophobicContact CD2-CG 3.91Å; L533-L575 HydrophobicContact CG-CD1 3.98Å; N571-L575 VanDerWaalsContact O-CD1 3.23Å; N571-L575 WeakPolarHBondContact O-CD1 3.46Å; N571-L575 VanDerWaalsContact O-CG 3.26Å; N571-L575 WeakPolarHBondContact O-CG 3.46Å; N571-L575 PolarHBondContact O-N 2.96Å; A572-L575 WeakPolarHBondContact O-CB 3.34Å; A572-L575 PolarHBondContact O-N 2.99Å; A572-L575 VanDerWaalsContact O-N 3.12Å; T573-L575 PolarHBondContact O-N 3.2Å; L575-R577 PolarHBondContact O-N 2.79Å; L575-R577 VanDerWaalsContact O-N 3.16Å; L575-L578 PolarHBondContact O-N 3.16Å; L575-E579 PolarHBondContact O-N 3.37Å |
| 576 | I | 71.8 | Confident | 71.7 | Confident | 19 Ų | 19 | 62.6 Ų | 62.6 | 10% | 0.097 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -52.5 | -37.4 | 172.4 | -65.8 | 168.7 | 0 | 0 | 0 | 110.1 | A572 T573 L578 W581 L584 E585 L588 L602 | A572-I576 PolarHBondContact O-N 3.34Å; T573-I576 PolarHBondContact O-N 2.77Å; I576-L578 PolarHBondContact O-N 2.91Å; I576-W581 HydrophobicContact CG1-CB 4.25Å; I576-L584 HydrophobicContact CD1-CB 4.49Å; I576-L584 HydrophobicContact CD1-CD2 4.35Å; I576-L584 HydrophobicContact CG1-CB 4.25Å; I576-L584 HydrophobicContact CG1-CD2 4.46Å; I576-E585 HydrophobicContact CD1-CB 4.08Å; I576-E585 HydrophobicContact CG2-CB 4.48Å; I576-L588 HydrophobicContact CD1-CD1 3.59Å; I576-L602 HydrophobicContact CD1-CD2 4.48Å |
| 577 | R | 67.6 | Low | 71.3 | Confident | 143 Ų | 143 | 58.3 Ų | 58.3 | 54% | 0.54 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.5 | -26 | 179.6 | -157.8 | -178.2 | -172.3 | 160.7 | 8.8 | 114.9 | T573 L575 E601 N605 | T573-R577 PolarHBondContact O-N 3.13Å; L575-R577 PolarHBondContact O-N 2.79Å; L575-R577 VanDerWaalsContact O-N 3.16Å; R577-E601 IonicContact NH1-OE2 2.79Å; R577-N605 WeakPolarHBondContact CD-OD1 3.28Å; R577-N605 VanDerWaalsContact CZ-OD1 3.23Å; R577-N605 PolarHBondContact NE-OD1 3.46Å; R577-N605 VanDerWaalsContact NE-OD1 3.08Å; R577-N605 PolarHBondContact NH2-OD1 2.79Å |
| 578 | L | 67.4 | Low | 71 | Confident | 132 Ų | 132 | 52.9 Ų | 52.9 | 69% | 0.691 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -98.3 | -34.5 | -168.4 | -75 | 168.6 | 0 | 0 | 0 | 113.8 | A574 L575 I576 | A574-L578 WeakPolarHBondContact O-CG 3.38Å; L575-L578 PolarHBondContact O-N 3.16Å; I576-L578 PolarHBondContact O-N 2.91Å |
| 579 | E | 61.7 | Low | 70.6 | Confident | 98 Ų | 98 | 54.9 Ų | 54.9 | 46% | 0.458 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -148.5 | 37.3 | -166.2 | -62.9 | -169.2 | -171 | 0 | 0 | 116 | R536 L575 | R536-E579 IonicContact CZ-OE2 3.6Å; R536-E579 VanDerWaalsContact CZ-OE2 3.31Å; R536-E579 IonicContact NH1-OE2 3.2Å; R536-E579 PolarHBondContact NH1-OE2 3.23Å; R536-E579 IonicContact NH2-OE2 2.96Å; R536-E579 PolarHBondContact NH2-OE2 2.76Å; L575-E579 PolarHBondContact O-N 3.37Å |
| 580 | D | 61.3 | Low | 69.8 | Low | 141 Ų | 141 | 58.6 Ų | 58.6 | 75% | 0.754 | 31% | 0.311 | S | S | * | . | trans | 51.1 | 59.6 | 175.3 | -92.2 | -8.3 | 0 | 0 | 0 | 114.6 | D582 | D580-D582 PolarHBondContact O-N 3.42Å; D580-D582 VanDerWaalsContact O-N 3.16Å | ||
| 581 | W | 64.2 | Low | 69.2 | Low | 11 Ų | 11 | 59.6 Ų | 59.6 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | trans | -87.9 | 63.5 | 179.4 | -72.4 | 65.2 | 0 | 0 | 0 | 112.5 | L533 R536 E548 A551 I576 F583 L584 E585 | L533-W581 HydrophobicContact CD2-CH2 4.42Å; R536-W581 HydrophobicContact CG-CH2 4.07Å; R536-W581 HydrophobicContact CG-CZ2 3.8Å; E548-W581 HydrophobicContact CB-CE3 3.92Å; E548-W581 HydrophobicContact CB-CH2 3.95Å; E548-W581 HydrophobicContact CB-CZ3 3.64Å; E548-W581 HydrophobicContact CG-CD2 3.79Å; E548-W581 HydrophobicContact CG-CE3 3.57Å; E548-W581 HydrophobicContact CG-CH2 3.21Å; E548-W581 HydrophobicContact CG-CZ2 3.36Å; E548-W581 HydrophobicContact CG-CZ3 3.33Å; A551-W581 HydrophobicContact CB-CZ3 4.17Å; I576-W581 HydrophobicContact CG1-CB 4.25Å; W581-F583 PolarHBondContact O-N 3.33Å; W581-F583 VanDerWaalsContact O-N 3.13Å; W581-L584 HydrophobicContact CB-CB 3.92Å; W581-L584 HydrophobicContact CD2-CD1 4.15Å; W581-L584 HydrophobicContact CE3-CB 4.28Å; W581-L584 HydrophobicContact CE3-CD1 3.26Å; W581-L584 HydrophobicContact CE3-CG 4.38Å; W581-L584 HydrophobicContact CZ3-CD1 3.61Å; W581-L584 WeakPolarHBondContact O-CB 3.45Å; W581-L584 PolarHBondContact O-N 2.81Å; W581-E585 PolarHBondContact O-N 3.33Å; W581-E585 VanDerWaalsContact O-N 3.09Å | ||
| 582 | D | 65.2 | Low | 68.6 | Low | 105 Ų | 105 | 61.3 Ų | 61.3 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -50.9 | -37.8 | -175.4 | -72.9 | -16.1 | 0 | 0 | 0 | 114.2 | D580 E585 S586 | D580-D582 PolarHBondContact O-N 3.42Å; D580-D582 VanDerWaalsContact O-N 3.16Å; D582-E585 PolarHBondContact O-N 3.12Å; D582-S586 PolarHBondContact O-N 3.34Å; D582-S586 PolarHBondContact O-OG 2.91Å |
| 583 | F | 64.6 | Low | 68.3 | Low | 137 Ų | 137 | 64.7 Ų | 64.7 | 60% | 0.601 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66.5 | -43.4 | 178.4 | -89 | -86.2 | 0 | 0 | 0 | 112.1 | D552 W581 E585 S586 A587 | D552-F583 HydrophobicContact CB-CB 4.4Å; W581-F583 PolarHBondContact O-N 3.33Å; W581-F583 VanDerWaalsContact O-N 3.13Å; F583-E585 VanDerWaalsContact C-N 3.28Å; F583-E585 PolarHBondContact O-N 3.39Å; F583-S586 WeakPolarHBondContact O-CB 3.43Å; F583-S586 PolarHBondContact O-N 3.05Å; F583-S586 VanDerWaalsContact O-N 3.12Å; F583-A587 PolarHBondContact O-N 3.45Å |
| 584 | L | 67.6 | Low | 68.3 | Low | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.6 | -30.3 | -179.3 | -135.8 | 149.7 | 0 | 0 | 0 | 110.9 | D552 L555 A572 I576 W581 L588 | D552-L584 WeakPolarHBondContact OD1-CA 3.49Å; L555-L584 HydrophobicContact CD2-CD2 3.62Å; L555-L584 HydrophobicContact CD2-CG 4.27Å; A572-L584 HydrophobicContact CB-CD2 3.41Å; A572-L584 VanDerWaalsContact CB-CD2 3.41Å; I576-L584 HydrophobicContact CD1-CB 4.49Å; I576-L584 HydrophobicContact CD1-CD2 4.35Å; I576-L584 HydrophobicContact CG1-CB 4.25Å; I576-L584 HydrophobicContact CG1-CD2 4.46Å; W581-L584 HydrophobicContact CB-CB 3.92Å; W581-L584 HydrophobicContact CD2-CD1 4.15Å; W581-L584 HydrophobicContact CE3-CB 4.28Å; W581-L584 HydrophobicContact CE3-CD1 3.26Å; W581-L584 HydrophobicContact CE3-CG 4.38Å; W581-L584 HydrophobicContact CZ3-CD1 3.61Å; W581-L584 WeakPolarHBondContact O-CB 3.45Å; W581-L584 PolarHBondContact O-N 2.81Å; L584-L588 HydrophobicContact CD2-CD1 4.45Å; L584-L588 WeakPolarHBondContact O-CG 3.35Å; L584-L588 PolarHBondContact O-N 3.41Å |
| 585 | E | 70 | Confident | 68.5 | Low | 49 Ų | 49 | 64 Ų | 64 | 23% | 0.229 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.8 | -48 | 167.9 | -170.5 | 175.7 | 177 | 0 | 0 | 111.4 | I576 W581 D582 F583 A587 L588 V589 T606 | I576-E585 HydrophobicContact CD1-CB 4.08Å; I576-E585 HydrophobicContact CG2-CB 4.48Å; W581-E585 PolarHBondContact O-N 3.33Å; W581-E585 VanDerWaalsContact O-N 3.09Å; D582-E585 PolarHBondContact O-N 3.12Å; F583-E585 VanDerWaalsContact C-N 3.28Å; F583-E585 PolarHBondContact O-N 3.39Å; E585-A587 VanDerWaalsContact C-N 3.35Å; E585-A587 PolarHBondContact O-N 3.25Å; E585-L588 PolarHBondContact O-N 2.89Å; E585-V589 HydrophobicContact CG-CG2 4.3Å; E585-V589 WeakPolarHBondContact O-CB 3.05Å; E585-V589 WeakPolarHBondContact O-CG2 3.46Å; E585-V589 PolarHBondContact O-N 2.74Å; E585-T606 HydrophobicContact CG-CG2 4.3Å; E585-T606 WeakPolarHBondContact OE1-CG2 3.11Å |
| 586 | S | 68 | Low | 68.9 | Low | 80 Ų | 80 | 65 Ų | 65 | 56% | 0.559 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.4 | -41.4 | 177.3 | -69.6 | 0 | 0 | 0 | 0 | 112.9 | D582 F583 V589 S590 | D582-S586 PolarHBondContact O-N 3.34Å; D582-S586 PolarHBondContact O-OG 2.91Å; F583-S586 WeakPolarHBondContact O-CB 3.43Å; F583-S586 PolarHBondContact O-N 3.05Å; F583-S586 VanDerWaalsContact O-N 3.12Å; S586-V589 PolarHBondContact O-N 2.97Å; S586-S590 PolarHBondContact O-N 3.42Å |
| 587 | A | 65.7 | Low | 69.4 | Low | 6 Ų | 6 | 68 Ų | 68 | 5% | 0.05 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D552 S556 F583 E585 V589 S590 | D552-A587 WeakPolarHBondContact OD1-CB 3.23Å; S556-A587 WeakPolarHBondContact OG-CB 3.4Å; F583-A587 PolarHBondContact O-N 3.45Å; E585-A587 VanDerWaalsContact C-N 3.35Å; E585-A587 PolarHBondContact O-N 3.25Å; A587-V589 PolarHBondContact O-N 2.99Å; A587-S590 PolarHBondContact O-N 3.46Å; A587-S590 PolarHBondContact O-OG 3.06Å |
| 588 | L | 71.8 | Confident | 70.1 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 175.6 | -72.5 | 172.3 | 0 | 0 | 0 | 112 | I559 L569 A572 T573 I576 L584 E585 S590 W591 L594 L602 | I559-L588 HydrophobicContact CD1-CD2 4.38Å; L569-L588 HydrophobicContact CD2-CD2 3.64Å; A572-L588 HydrophobicContact CB-CD1 4.36Å; T573-L588 HydrophobicContact CG2-CD1 3.92Å; I576-L588 HydrophobicContact CD1-CD1 3.59Å; L584-L588 HydrophobicContact CD2-CD1 4.45Å; L584-L588 WeakPolarHBondContact O-CG 3.35Å; L584-L588 PolarHBondContact O-N 3.41Å; E585-L588 PolarHBondContact O-N 2.89Å; L588-S590 VanDerWaalsContact C-N 3.28Å; L588-S590 PolarHBondContact O-N 3.03Å; L588-W591 PolarHBondContact O-N 2.7Å; L588-L594 HydrophobicContact CB-CD1 4.5Å; L588-L594 HydrophobicContact CD2-CD2 3.85Å; L588-L594 WeakPolarHBondContact O-CD1 3.46Å; L588-L602 HydrophobicContact CD1-CD2 4.3Å |
| 589 | V | 70.2 | Confident | 71 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.1 | -27.2 | -178.5 | 173.1 | 0 | 0 | 0 | 0 | 112.8 | E585 S586 A587 W591 F615 | E585-V589 HydrophobicContact CG-CG2 4.3Å; E585-V589 WeakPolarHBondContact O-CB 3.05Å; E585-V589 WeakPolarHBondContact O-CG2 3.46Å; E585-V589 PolarHBondContact O-N 2.74Å; S586-V589 PolarHBondContact O-N 2.97Å; A587-V589 PolarHBondContact O-N 2.99Å; V589-W591 PolarHBondContact O-N 3.09Å; V589-F615 HydrophobicContact CB-CD2 4.12Å; V589-F615 HydrophobicContact CB-CE2 4.33Å; V589-F615 HydrophobicContact CG1-CB 4.26Å; V589-F615 HydrophobicContact CG1-CD2 3.8Å; V589-F615 HydrophobicContact CG1-CE2 4.49Å; V589-F615 HydrophobicContact CG1-CG 4.21Å; V589-F615 HydrophobicContact CG2-CD2 4.21Å; V589-F615 HydrophobicContact CG2-CE2 4.31Å; V589-F615 HydrophobicContact CG2-CG 4.45Å; V589-F615 WeakPolarHBondContact O-CD2 3.3Å |
| 590 | S | 63.2 | Low | 72.2 | Confident | 81 Ų | 81 | 56.3 Ų | 56.3 | 57% | 0.566 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -7.7 | 177.3 | 70.6 | 0 | 0 | 0 | 0 | 114.9 | S586 A587 L588 | S586-S590 PolarHBondContact O-N 3.42Å; A587-S590 PolarHBondContact O-N 3.46Å; A587-S590 PolarHBondContact O-OG 3.06Å; L588-S590 VanDerWaalsContact C-N 3.28Å; L588-S590 PolarHBondContact O-N 3.03Å |
| 591 | W | 67.5 | Low | 73.3 | Confident | 68 Ų | 68 | 52 Ų | 52 | 26% | 0.258 | 28% | 0.284 | S | S | . | . | trans | -102.1 | 112.5 | -170.9 | -128.5 | 41.9 | 0 | 0 | 0 | 112.5 | I559 V564 L588 V589 N593 L594 Q619 | I559-W591 HydrophobicContact CB-CD2 4.23Å; I559-W591 HydrophobicContact CB-CH2 4.3Å; I559-W591 HydrophobicContact CB-CZ2 4.01Å; I559-W591 HydrophobicContact CG1-CD2 4.26Å; I559-W591 HydrophobicContact CG1-CE3 4.17Å; I559-W591 HydrophobicContact CG1-CH2 4.34Å; I559-W591 HydrophobicContact CG1-CZ2 4.49Å; I559-W591 HydrophobicContact CG1-CZ3 4.18Å; I559-W591 HydrophobicContact CG2-CD2 3.42Å; I559-W591 VanDerWaalsContact CG2-CD2 3.42Å; I559-W591 HydrophobicContact CG2-CE3 4.17Å; I559-W591 HydrophobicContact CG2-CG 3.58Å; I559-W591 HydrophobicContact CG2-CH2 4.38Å; I559-W591 HydrophobicContact CG2-CZ2 3.74Å; I559-W591 WeakPolarHBondContact O-CH2 3.2Å; I559-W591 WeakPolarHBondContact O-CZ2 3.35Å; V564-W591 HydrophobicContact CG2-CH2 4.36Å; L588-W591 PolarHBondContact O-N 2.7Å; V589-W591 PolarHBondContact O-N 3.09Å; W591-N593 PolarHBondContact O-N 2.96Å; W591-N593 VanDerWaalsContact O-N 3.11Å; W591-L594 HydrophobicContact CB-CG 4.4Å; W591-L594 HydrophobicContact CE3-CD2 3.94Å; W591-Q619 PolarHBondContact O-NE2 2.57Å; W591-Q619 PolarHBondContact O-OE1 3.34Å | ||
| 592 | D | 65.6 | Low | 74.1 | Confident | 94 Ų | 94 | 51.7 Ų | 51.7 | 50% | 0.503 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -8.6 | -169.8 | -69.5 | -38.4 | 0 | 0 | 0 | 115.5 | Q619 | D592-Q619 PolarHBondContact O-OE1 3.46Š|
| 593 | N | 71.9 | Confident | 75.1 | Confident | 71 Ų | 71 | 48.2 Ų | 48.2 | 38% | 0.38 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.3 | 55.3 | -170.9 | -148.3 | -10.4 | 0 | 0 | 0 | 115.3 | W591 E620 N621 | W591-N593 PolarHBondContact O-N 2.96Å; W591-N593 VanDerWaalsContact O-N 3.11Å; N593-E620 PolarHBondContact ND2-OE1 3.03Å; N593-E620 PolarHBondContact ND2-OE2 2.89Å; N593-E620 PolarHBondContact OD1-OE2 3.48Å; N593-N621 PolarHBondContact OD1-ND2 3.23Å |
| 594 | L | 77.6 | Confident | 76 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -70.5 | 148.1 | 178.5 | -73.4 | 163.8 | 0 | 0 | 0 | 113.2 | L569 L588 W591 V598 L599 L602 F615 N621 | L569-L594 HydrophobicContact CD1-CD2 4.39Å; L569-L594 HydrophobicContact CD2-CD2 4.23Å; L588-L594 HydrophobicContact CB-CD1 4.5Å; L588-L594 HydrophobicContact CD2-CD2 3.85Å; L588-L594 WeakPolarHBondContact O-CD1 3.46Å; W591-L594 HydrophobicContact CB-CG 4.4Å; W591-L594 HydrophobicContact CE3-CD2 3.94Å; L594-V598 HydrophobicContact CD2-CG1 4.3Å; L594-L599 HydrophobicContact CB-CD2 3.93Å; L594-L599 HydrophobicContact CB-CG 4.15Å; L594-L599 HydrophobicContact CD1-CD2 4.22Å; L594-L602 HydrophobicContact CD1-CD1 3.95Å; L594-F615 HydrophobicContact CD1-CE2 3.86Å; L594-F615 HydrophobicContact CD1-CZ 3.52Å; L594-N621 WeakPolarHBondContact O-CB 3.44Å; L594-N621 PolarHBondContact O-ND2 3.22Å | ||
| 595 | P | 81 | Confident | 76.3 | Confident | 31 Ų | 31 | 48.8 Ų | 48.8 | 20% | 0.201 | 27% | 0.269 | C | S | . | . | trans | -62 | 143.7 | 174.3 | -20.5 | 31.2 | 0 | 0 | 0 | 112.7 | D566 L569 V597 V598 L599 | D566-P595 WeakPolarHBondContact OD1-CG 3.09Å; L569-P595 HydrophobicContact CD1-CG 3.7Å; P595-V597 PolarHBondContact O-N 2.83Å; P595-V598 HydrophobicContact CB-CG2 4.15Å; P595-V598 HydrophobicContact CG-CG2 4.19Å; P595-V598 WeakPolarHBondContact O-CB 3.18Å; P595-V598 PolarHBondContact O-N 3.41Å; P595-L599 PolarHBondContact O-N 2.91Å; P595-L599 VanDerWaalsContact O-N 3.16Å | ||
| 596 | A | 82.2 | Confident | 76.5 | Confident | 53 Ų | 53 | 46.9 Ų | 46.9 | 44% | 0.438 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.7 | -29.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K600 | A596-K600 PolarHBondContact O-N 3.28Å; A596-K600 VanDerWaalsContact O-N 3.17Å |
| 597 | V | 83.4 | Confident | 76.9 | Confident | 81 Ų | 81 | 47 Ų | 47 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 177.2 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | L570 P595 K600 E601 | L570-V597 HydrophobicContact CD1-CG1 3.95Å; L570-V597 HydrophobicContact CD2-CG1 3.71Å; L570-V597 HydrophobicContact CG-CG1 4.06Å; P595-V597 PolarHBondContact O-N 2.83Å; V597-K600 PolarHBondContact O-N 2.91Å; V597-E601 PolarHBondContact O-N 3.49Å |
| 598 | V | 82.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.9 | -42.5 | 178.9 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | L569 T573 L594 P595 K600 E601 L602 | L569-V598 HydrophobicContact CB-CB 4.43Å; L569-V598 HydrophobicContact CB-CG1 4.17Å; L569-V598 HydrophobicContact CB-CG2 3.38Å; L569-V598 HydrophobicContact CD1-CG2 4.11Å; L569-V598 HydrophobicContact CG-CG2 4.36Å; T573-V598 HydrophobicContact CG2-CG1 3.64Å; L594-V598 HydrophobicContact CD2-CG1 4.3Å; P595-V598 HydrophobicContact CB-CG2 4.15Å; P595-V598 HydrophobicContact CG-CG2 4.19Å; P595-V598 WeakPolarHBondContact O-CB 3.18Å; P595-V598 PolarHBondContact O-N 3.41Å; V598-K600 PolarHBondContact O-N 3.32Å; V598-E601 PolarHBondContact O-N 3.45Å; V598-L602 HydrophobicContact CG1-CD1 4.24Å; V598-L602 PolarHBondContact O-N 2.9Å |
| 599 | L | 86.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.9 | -36.9 | 174.7 | -67.2 | 178.1 | 0 | 0 | 0 | 112.3 | L594 P595 Q603 F615 F616 Q619 N621 Q626 | L594-L599 HydrophobicContact CB-CD2 3.93Å; L594-L599 HydrophobicContact CB-CG 4.15Å; L594-L599 HydrophobicContact CD1-CD2 4.22Å; P595-L599 PolarHBondContact O-N 2.91Å; P595-L599 VanDerWaalsContact O-N 3.16Å; L599-Q603 WeakPolarHBondContact O-CB 3.35Å; L599-Q603 PolarHBondContact O-N 2.88Å; L599-F615 HydrophobicContact CD2-CE1 4.05Å; L599-F615 HydrophobicContact CD2-CZ 3.94Å; L599-F616 HydrophobicContact CB-CE1 4.06Å; L599-F616 HydrophobicContact CD2-CE1 4.12Å; L599-F616 WeakPolarHBondContact O-CE1 2.95Å; L599-F616 WeakPolarHBondContact O-CZ 3.37Å; L599-Q619 HydrophobicContact CD1-CB 3.99Å; L599-Q619 HydrophobicContact CD1-CG 4.45Å; L599-Q619 HydrophobicContact CD2-CB 4.05Å; L599-Q619 HydrophobicContact CD2-CG 3.6Å; L599-N621 HydrophobicContact CD1-CB 3.87Å; L599-Q626 VanDerWaalsContact C-NE2 3.28Å; L599-Q626 PolarHBondContact O-NE2 3.26Å; L599-Q626 VanDerWaalsContact O-NE2 3.13Å |
| 600 | K | 86.1 | Confident | 78.7 | Confident | 128 Ų | 128 | 57.6 Ų | 57.6 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.7 | -39.6 | 177.7 | -169.6 | -179.5 | 179.5 | -176 | 0 | 112.6 | A596 V597 V598 Q604 | A596-K600 PolarHBondContact O-N 3.28Å; A596-K600 VanDerWaalsContact O-N 3.17Å; V597-K600 PolarHBondContact O-N 2.91Å; V598-K600 PolarHBondContact O-N 3.32Å; K600-Q604 WeakPolarHBondContact O-CG 3.32Å; K600-Q604 PolarHBondContact O-N 2.87Å |
| 601 | E | 83.6 | Confident | 79.3 | Confident | 51 Ų | 51 | 59.4 Ų | 59.4 | 24% | 0.238 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.9 | -45.4 | 173.7 | -91.4 | -69 | 157.2 | 0 | 0 | 111.3 | L570 T573 R577 V597 V598 Q603 Q604 N605 | L570-E601 HydrophobicContact CD2-CG 4.3Å; T573-E601 HydrophobicContact CG2-CB 4.27Å; R577-E601 IonicContact NH1-OE2 2.79Å; V597-E601 PolarHBondContact O-N 3.49Å; V598-E601 PolarHBondContact O-N 3.45Å; E601-Q603 VanDerWaalsContact C-N 3.34Å; E601-Q603 PolarHBondContact O-N 2.91Å; E601-Q604 PolarHBondContact O-N 3.47Å; E601-Q604 VanDerWaalsContact O-N 3.11Å; E601-N605 PolarHBondContact O-N 2.65Å; E601-N605 PolarHBondContact O-ND2 2.9Å; E601-N605 VanDerWaalsContact O-ND2 3.11Å; E601-N605 PolarHBondContact OE2-ND2 3.49Å |
| 602 | L | 82.3 | Confident | 80.2 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 175.9 | -72.5 | 171.9 | 0 | 0 | 0 | 111.3 | T573 I576 L588 L594 V598 Q604 N605 T606 F615 F616 | T573-L602 HydrophobicContact CG2-CD2 3.84Å; T573-L602 HydrophobicContact CG2-CG 3.8Å; I576-L602 HydrophobicContact CD1-CD2 4.48Å; L588-L602 HydrophobicContact CD1-CD2 4.3Å; L594-L602 HydrophobicContact CD1-CD1 3.95Å; V598-L602 HydrophobicContact CG1-CD1 4.24Å; V598-L602 PolarHBondContact O-N 2.9Å; L602-Q604 PolarHBondContact O-N 3.22Å; L602-Q604 VanDerWaalsContact O-N 3.13Å; L602-N605 PolarHBondContact O-N 2.77Å; L602-T606 HydrophobicContact CD2-CG2 4.04Å; L602-T606 PolarHBondContact O-N 3.19Å; L602-T606 PolarHBondContact O-OG1 3.03Å; L602-F615 HydrophobicContact CD1-CE1 3.96Å; L602-F615 HydrophobicContact CD1-CZ 3.73Å; L602-F616 HydrophobicContact CB-CZ 4.13Å |
| 603 | Q | 85.8 | Confident | 81.2 | Confident | 32 Ų | 32 | 52.1 Ų | 52.1 | 15% | 0.15 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.9 | -34 | 177.9 | 173.4 | -178.9 | 27.3 | 0 | 0 | 112.9 | L599 E601 R608 W612 F616 Q626 E629 | L599-Q603 WeakPolarHBondContact O-CB 3.35Å; L599-Q603 PolarHBondContact O-N 2.88Å; E601-Q603 VanDerWaalsContact C-N 3.34Å; E601-Q603 PolarHBondContact O-N 2.91Å; Q603-R608 PolarHBondContact O-NH2 2.97Å; Q603-W612 HydrophobicContact CB-CZ2 4.26Å; Q603-W612 HydrophobicContact CG-CH2 4.49Å; Q603-W612 HydrophobicContact CG-CZ2 3.96Å; Q603-F616 HydrophobicContact CB-CE1 4.14Å; Q603-F616 HydrophobicContact CB-CZ 3.76Å; Q603-Q626 HydrophobicContact CB-CG 4.47Å; Q603-Q626 HydrophobicContact CG-CG 4.32Å; Q603-E629 PolarHBondContact NE2-OE2 3.15Å |
| 604 | Q | 83.5 | Confident | 81.8 | Confident | 105 Ų | 105 | 52.2 Ų | 52.2 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -79.9 | -24.3 | -178.8 | -70.2 | -178.4 | 8 | 0 | 0 | 113 | K600 E601 L602 | K600-Q604 WeakPolarHBondContact O-CG 3.32Å; K600-Q604 PolarHBondContact O-N 2.87Å; E601-Q604 PolarHBondContact O-N 3.47Å; E601-Q604 VanDerWaalsContact O-N 3.11Å; L602-Q604 PolarHBondContact O-N 3.22Å; L602-Q604 VanDerWaalsContact O-N 3.13Å |
| 605 | N | 74.8 | Confident | 82.2 | Confident | 44 Ų | 44 | 52.8 Ų | 52.8 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -117.4 | -17.6 | -165.5 | -58.4 | -35.6 | 0 | 0 | 0 | 114.7 | R577 E601 L602 | R577-N605 WeakPolarHBondContact CD-OD1 3.28Å; R577-N605 VanDerWaalsContact CZ-OD1 3.23Å; R577-N605 PolarHBondContact NE-OD1 3.46Å; R577-N605 VanDerWaalsContact NE-OD1 3.08Å; R577-N605 PolarHBondContact NH2-OD1 2.79Å; E601-N605 PolarHBondContact O-N 2.65Å; E601-N605 PolarHBondContact O-ND2 2.9Å; E601-N605 VanDerWaalsContact O-ND2 3.11Å; E601-N605 PolarHBondContact OE2-ND2 3.49Å; L602-N605 PolarHBondContact O-N 2.77Å |
| 606 | T | 73 | Confident | 82.5 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -97.5 | 146.9 | -179.3 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | E585 L602 W612 | E585-T606 HydrophobicContact CG-CG2 4.3Å; E585-T606 WeakPolarHBondContact OE1-CG2 3.11Å; L602-T606 HydrophobicContact CD2-CG2 4.04Å; L602-T606 PolarHBondContact O-N 3.19Å; L602-T606 PolarHBondContact O-OG1 3.03Å; T606-W612 PolarHBondContact OG1-NE1 2.89Å |
| 607 | P | 76.7 | Confident | 82.8 | Confident | 82 Ų | 82 | 48.9 Ų | 48.9 | 53% | 0.532 | 24% | 0.24 | S | C | . | . | trans | -69.3 | 135.7 | -177.7 | 24.7 | -31.6 | 0 | 0 | 0 | 112.6 | N609 W612 | P607-N609 PolarHBondContact O-N 3.41Å; P607-W612 VanDerWaalsContact O-CB 3.28Å; P607-W612 WeakPolarHBondContact O-CB 3.2Å | ||
| 608 | R | 85 | Confident | 82.8 | Confident | 137 Ų | 137 | 50.9 Ų | 50.9 | 52% | 0.517 | 24% | 0.239 | S | C | . | . | trans | -78.7 | 84.8 | -175.9 | -66.8 | 153.7 | 179.8 | 86.9 | 8.6 | 111.3 | Q603 W612 E629 V633 | Q603-R608 PolarHBondContact O-NH2 2.97Å; R608-W612 HydrophobicContact CG-CD2 4.41Å; R608-E629 IonicContact CZ-OE1 3.82Å; R608-E629 IonicContact NE-OE1 3.91Å; R608-E629 PolarHBondContact NE-OE1 3.14Å; R608-E629 IonicContact NH2-OE1 2.79Å; R608-V633 HydrophobicContact CB-CG2 4.05Å | ||
| 609 | N | 82.7 | Confident | 82.9 | Confident | 71 Ų | 71 | 50.9 Ų | 50.9 | 38% | 0.38 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -123.2 | -176.9 | 176.3 | 64.5 | 22.6 | 0 | 0 | 0 | 111.6 | P607 I611 W612 A613 V633 | P607-N609 PolarHBondContact O-N 3.41Å; N609-I611 PolarHBondContact O-N 3.14Å; N609-I611 WeakPolarHBondContact OD1-CB 3.32Å; N609-I611 PolarHBondContact OD1-N 3.3Å; N609-I611 VanDerWaalsContact OD1-N 3.13Å; N609-W612 WeakPolarHBondContact O-CB 3.18Å; N609-W612 PolarHBondContact O-N 3.28Å; N609-W612 PolarHBondContact OD1-N 2.98Å; N609-A613 PolarHBondContact O-N 3.43Å; N609-V633 WeakPolarHBondContact O-CG1 3.22Å |
| 610 | D | 77.4 | Confident | 82.8 | Confident | 69 Ų | 69 | 52.2 Ų | 52.2 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.2 | -29.6 | -177.6 | -142 | 48.8 | 0 | 0 | 0 | 112.8 | K614 Y634 | D610-K614 WeakPolarHBondContact O-CB 3.4Å; D610-K614 VanDerWaalsContact O-CG 3.28Å; D610-K614 WeakPolarHBondContact O-CG 3.37Å; D610-K614 PolarHBondContact O-N 3.47Å; D610-K614 WeakPolarHBondContact OD2-CE 3.26Å; D610-K614 IonicContact OD2-NZ 3.61Å; D610-K614 PolarHBondContact OD2-NZ 3Å; D610-Y634 WeakPolarHBondContact OD1-CD2 3.37Å; D610-Y634 WeakPolarHBondContact OD1-CE2 3.42Å; D610-Y634 WeakPolarHBondContact OD2-CE2 3.21Å |
| 611 | I | 75.7 | Confident | 82.8 | Confident | 118 Ų | 118 | 47 Ų | 47 | 61% | 0.605 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -70.4 | -46.3 | 175.3 | -58.8 | 173.7 | 0 | 0 | 0 | 109.8 | N609 A613 K614 F615 | N609-I611 PolarHBondContact O-N 3.14Å; N609-I611 WeakPolarHBondContact OD1-CB 3.32Å; N609-I611 PolarHBondContact OD1-N 3.3Å; N609-I611 VanDerWaalsContact OD1-N 3.13Å; I611-A613 VanDerWaalsContact C-N 3.31Å; I611-A613 PolarHBondContact O-N 2.86Å; I611-K614 PolarHBondContact O-N 3.33Å; I611-F615 VanDerWaalsContact O-CB 3.31Å; I611-F615 WeakPolarHBondContact O-CB 3.49Å; I611-F615 PolarHBondContact O-N 3.48Å |
| 612 | W | 86.2 | Confident | 83 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 3% | 0.034 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.2 | -46.4 | 173.9 | -174.4 | 98.6 | 0 | 0 | 0 | 111.3 | Q603 T606 P607 R608 N609 F615 F616 E629 A630 V633 | Q603-W612 HydrophobicContact CB-CZ2 4.26Å; Q603-W612 HydrophobicContact CG-CH2 4.49Å; Q603-W612 HydrophobicContact CG-CZ2 3.96Å; T606-W612 PolarHBondContact OG1-NE1 2.89Å; P607-W612 VanDerWaalsContact O-CB 3.28Å; P607-W612 WeakPolarHBondContact O-CB 3.2Å; R608-W612 HydrophobicContact CG-CD2 4.41Å; N609-W612 WeakPolarHBondContact O-CB 3.18Å; N609-W612 PolarHBondContact O-N 3.28Å; N609-W612 PolarHBondContact OD1-N 2.98Å; W612-F615 PolarHBondContact O-N 3.11Å; W612-F616 AromaticContact CD1-CE2 3.93Å; W612-F616 AromaticContact CD2-CD2 3.66Å; W612-F616 HydrophobicContact CD2-CD2 3.66Å; W612-F616 AromaticContact CD2-CE2 3.95Å; W612-F616 HydrophobicContact CD2-CE2 3.95Å; W612-F616 AromaticContact CE2-CD2 3.43Å; W612-F616 VanDerWaalsContact CE2-CD2 3.43Å; W612-F616 AromaticContact CE2-CE2 3.29Å; W612-F616 HydrophobicContact CE3-CD2 4.07Å; W612-F616 HydrophobicContact CG-CD2 4.16Å; W612-F616 HydrophobicContact CG-CE2 4.28Å; W612-F616 HydrophobicContact CH2-CD2 4.01Å; W612-F616 HydrophobicContact CH2-CE2 4.33Å; W612-F616 HydrophobicContact CH2-CG 4.47Å; W612-F616 AromaticContact CZ2-CD2 3.62Å; W612-F616 HydrophobicContact CZ2-CD2 3.62Å; W612-F616 AromaticContact CZ2-CE2 3.51Å; W612-F616 HydrophobicContact CZ2-CE2 3.51Å; W612-F616 HydrophobicContact CZ2-CG 4.41Å; W612-F616 HydrophobicContact CZ2-CZ 4.17Å; W612-F616 HydrophobicContact CZ3-CD2 4.24Å; W612-F616 AromaticContact NE1-CD2 3.87Å; W612-F616 AromaticContact NE1-CE2 3.33Å; W612-F616 VanDerWaalsContact NE1-CE2 3.33Å; W612-F616 WeakPolarHBondContact O-CD2 2.72Å; W612-F616 PolarHBondContact O-N 3.19Å; W612-E629 HydrophobicContact CH2-CB 4.1Å; W612-E629 HydrophobicContact CH2-CG 3.78Å; W612-E629 HydrophobicContact CZ3-CB 4.33Å; W612-E629 HydrophobicContact CZ3-CG 4.01Å; W612-A630 HydrophobicContact CZ3-CB 4.07Å; W612-V633 HydrophobicContact CE3-CG2 4.4Å; W612-V633 HydrophobicContact CZ3-CG2 4.31Å |
| 613 | A | 86.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.4 | -50.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | N609 I611 F615 F616 L617 A630 V633 Y634 | N609-A613 PolarHBondContact O-N 3.43Å; I611-A613 VanDerWaalsContact C-N 3.31Å; I611-A613 PolarHBondContact O-N 2.86Å; A613-F615 VanDerWaalsContact C-N 3.3Å; A613-F615 PolarHBondContact O-N 3.27Å; A613-F616 PolarHBondContact O-N 3.26Å; A613-L617 WeakPolarHBondContact O-CB 2.87Å; A613-L617 WeakPolarHBondContact O-CD1 3.44Å; A613-L617 WeakPolarHBondContact O-CG 3.1Å; A613-L617 PolarHBondContact O-N 3.17Å; A613-A630 HydrophobicContact CB-CB 4.35Å; A613-A630 VanDerWaalsContact CB-O 3.26Å; A613-A630 WeakPolarHBondContact CB-O 3.08Å; A613-V633 HydrophobicContact CB-CB 4.14Å; A613-V633 HydrophobicContact CB-CG1 4.03Å; A613-Y634 HydrophobicContact CB-CD2 4.21Å |
| 614 | K | 84.3 | Confident | 83.6 | Confident | 74 Ų | 74 | 47.1 Ų | 47.1 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.6 | -38.6 | 176.9 | -72.7 | 175.6 | -165.5 | 176.1 | 0 | 112.3 | D610 I611 L617 R618 Y634 F667 | D610-K614 WeakPolarHBondContact O-CB 3.4Å; D610-K614 VanDerWaalsContact O-CG 3.28Å; D610-K614 WeakPolarHBondContact O-CG 3.37Å; D610-K614 PolarHBondContact O-N 3.47Å; D610-K614 WeakPolarHBondContact OD2-CE 3.26Å; D610-K614 IonicContact OD2-NZ 3.61Å; D610-K614 PolarHBondContact OD2-NZ 3Å; I611-K614 PolarHBondContact O-N 3.33Å; K614-L617 PolarHBondContact O-N 3.18Å; K614-R618 WeakPolarHBondContact O-CG 3.24Å; K614-R618 PolarHBondContact O-N 3.15Å; K614-Y634 HydrophobicContact CD-CE2 4.33Å; K614-Y634 HydrophobicContact CG-CD2 4.23Å; K614-Y634 HydrophobicContact CG-CE2 3.97Å; K614-F667 HydrophobicContact CG-CE1 4.16Å |
| 615 | F | 85.7 | Confident | 83.9 | Confident | 12 Ų | 12 | 45 Ų | 45 | 5% | 0.053 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -58.7 | 175.3 | 167.7 | -105.6 | 0 | 0 | 0 | 110.4 | V589 L594 L599 L602 I611 W612 A613 L617 R618 Q619 | V589-F615 HydrophobicContact CB-CD2 4.12Å; V589-F615 HydrophobicContact CB-CE2 4.33Å; V589-F615 HydrophobicContact CG1-CB 4.26Å; V589-F615 HydrophobicContact CG1-CD2 3.8Å; V589-F615 HydrophobicContact CG1-CE2 4.49Å; V589-F615 HydrophobicContact CG1-CG 4.21Å; V589-F615 HydrophobicContact CG2-CD2 4.21Å; V589-F615 HydrophobicContact CG2-CE2 4.31Å; V589-F615 HydrophobicContact CG2-CG 4.45Å; V589-F615 WeakPolarHBondContact O-CD2 3.3Å; L594-F615 HydrophobicContact CD1-CE2 3.86Å; L594-F615 HydrophobicContact CD1-CZ 3.52Å; L599-F615 HydrophobicContact CD2-CE1 4.05Å; L599-F615 HydrophobicContact CD2-CZ 3.94Å; L602-F615 HydrophobicContact CD1-CE1 3.96Å; L602-F615 HydrophobicContact CD1-CZ 3.73Å; I611-F615 VanDerWaalsContact O-CB 3.31Å; I611-F615 WeakPolarHBondContact O-CB 3.49Å; I611-F615 PolarHBondContact O-N 3.48Å; W612-F615 PolarHBondContact O-N 3.11Å; A613-F615 VanDerWaalsContact C-N 3.3Å; A613-F615 PolarHBondContact O-N 3.27Å; F615-L617 PolarHBondContact O-N 3.13Å; F615-R618 PolarHBondContact O-N 3.19Å; F615-Q619 HydrophobicContact CD2-CG 4.21Å; F615-Q619 HydrophobicContact CE1-CG 4.25Å; F615-Q619 HydrophobicContact CE2-CG 3.89Å; F615-Q619 HydrophobicContact CZ-CG 3.93Å; F615-Q619 WeakPolarHBondContact O-CG 3.32Å; F615-Q619 PolarHBondContact O-N 2.57Å; F615-Q619 VanDerWaalsContact O-N 3.08Å |
| 616 | F | 88.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.7 | -26.6 | -179.4 | -83.3 | -81.4 | 0 | 0 | 0 | 113.6 | L599 L602 Q603 W612 A613 S622 Q626 A630 | L599-F616 HydrophobicContact CB-CE1 4.06Å; L599-F616 HydrophobicContact CD2-CE1 4.12Å; L599-F616 WeakPolarHBondContact O-CE1 2.95Å; L599-F616 WeakPolarHBondContact O-CZ 3.37Å; L602-F616 HydrophobicContact CB-CZ 4.13Å; Q603-F616 HydrophobicContact CB-CE1 4.14Å; Q603-F616 HydrophobicContact CB-CZ 3.76Å; W612-F616 AromaticContact CD1-CE2 3.93Å; W612-F616 AromaticContact CD2-CD2 3.66Å; W612-F616 HydrophobicContact CD2-CD2 3.66Å; W612-F616 AromaticContact CD2-CE2 3.95Å; W612-F616 HydrophobicContact CD2-CE2 3.95Å; W612-F616 AromaticContact CE2-CD2 3.43Å; W612-F616 VanDerWaalsContact CE2-CD2 3.43Å; W612-F616 AromaticContact CE2-CE2 3.29Å; W612-F616 HydrophobicContact CE3-CD2 4.07Å; W612-F616 HydrophobicContact CG-CD2 4.16Å; W612-F616 HydrophobicContact CG-CE2 4.28Å; W612-F616 HydrophobicContact CH2-CD2 4.01Å; W612-F616 HydrophobicContact CH2-CE2 4.33Å; W612-F616 HydrophobicContact CH2-CG 4.47Å; W612-F616 AromaticContact CZ2-CD2 3.62Å; W612-F616 HydrophobicContact CZ2-CD2 3.62Å; W612-F616 AromaticContact CZ2-CE2 3.51Å; W612-F616 HydrophobicContact CZ2-CE2 3.51Å; W612-F616 HydrophobicContact CZ2-CG 4.41Å; W612-F616 HydrophobicContact CZ2-CZ 4.17Å; W612-F616 HydrophobicContact CZ3-CD2 4.24Å; W612-F616 AromaticContact NE1-CD2 3.87Å; W612-F616 AromaticContact NE1-CE2 3.33Å; W612-F616 VanDerWaalsContact NE1-CE2 3.33Å; W612-F616 WeakPolarHBondContact O-CD2 2.72Å; W612-F616 PolarHBondContact O-N 3.19Å; A613-F616 PolarHBondContact O-N 3.26Å; F616-S622 VanDerWaalsContact O-CB 3.29Å; F616-S622 WeakPolarHBondContact O-CB 3.49Å; F616-S622 PolarHBondContact O-OG 3.2Å; F616-Q626 HydrophobicContact CD1-CB 3.86Å; F616-Q626 HydrophobicContact CD1-CG 4.04Å; F616-Q626 HydrophobicContact CE1-CB 4.36Å; F616-Q626 HydrophobicContact CE1-CG 4.02Å; F616-A630 HydrophobicContact CB-CB 3.84Å |
| 617 | L | 87.5 | Confident | 85.5 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.7 | -26.3 | 173.5 | -68.3 | 166.4 | 0 | 0 | 0 | 113.7 | A613 K614 F615 V627 A630 L631 F667 | A613-L617 WeakPolarHBondContact O-CB 2.87Å; A613-L617 WeakPolarHBondContact O-CD1 3.44Å; A613-L617 WeakPolarHBondContact O-CG 3.1Å; A613-L617 PolarHBondContact O-N 3.17Å; K614-L617 PolarHBondContact O-N 3.18Å; F615-L617 PolarHBondContact O-N 3.13Å; L617-V627 HydrophobicContact CD2-CG1 3.88Å; L617-A630 HydrophobicContact CD1-CB 4.48Å; L617-A630 HydrophobicContact CD2-CB 4.25Å; L617-A630 HydrophobicContact CG-CB 3.93Å; L617-L631 HydrophobicContact CD1-CD2 4.02Å; L617-L631 HydrophobicContact CD2-CD2 3.55Å; L617-L631 HydrophobicContact CD2-CG 3.8Å; L617-L631 HydrophobicContact CG-CD2 4.45Å; L617-F667 HydrophobicContact CD1-CB 4.15Å; L617-F667 HydrophobicContact CD1-CD1 3.9Å; L617-F667 HydrophobicContact CD1-CG 4.39Å |
| 618 | R | 83.5 | Confident | 86.3 | Confident | 123 Ų | 123 | 40 Ų | 40 | 46% | 0.464 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -80.7 | -28.8 | 173.1 | -75.6 | 178.9 | -173.7 | -164.9 | 0.9 | 112.8 | K614 F615 E620 F670 N674 | K614-R618 WeakPolarHBondContact O-CG 3.24Å; K614-R618 PolarHBondContact O-N 3.15Å; F615-R618 PolarHBondContact O-N 3.19Å; R618-E620 PolarHBondContact O-N 2.81Å; R618-F670 HydrophobicContact CB-CE1 4.4Å; R618-F670 HydrophobicContact CG-CE1 3.64Å; R618-F670 HydrophobicContact CG-CZ 3.93Å; R618-N674 PolarHBondContact O-ND2 2.99Å |
| 619 | Q | 85.3 | Confident | 86.6 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | trans | -68.4 | 116.7 | -178.1 | -64.6 | -60.1 | -47.2 | 0 | 0 | 112.6 | W591 D592 L599 F615 N621 S622 | W591-Q619 PolarHBondContact O-NE2 2.57Å; W591-Q619 PolarHBondContact O-OE1 3.34Å; D592-Q619 PolarHBondContact O-OE1 3.46Å; L599-Q619 HydrophobicContact CD1-CB 3.99Å; L599-Q619 HydrophobicContact CD1-CG 4.45Å; L599-Q619 HydrophobicContact CD2-CB 4.05Å; L599-Q619 HydrophobicContact CD2-CG 3.6Å; F615-Q619 HydrophobicContact CD2-CG 4.21Å; F615-Q619 HydrophobicContact CE1-CG 4.25Å; F615-Q619 HydrophobicContact CE2-CG 3.89Å; F615-Q619 HydrophobicContact CZ-CG 3.93Å; F615-Q619 WeakPolarHBondContact O-CG 3.32Å; F615-Q619 PolarHBondContact O-N 2.57Å; F615-Q619 VanDerWaalsContact O-N 3.08Å; Q619-N621 PolarHBondContact O-N 3.47Å; Q619-S622 WeakPolarHBondContact CB-OG 3.47Å; Q619-S622 PolarHBondContact O-N 3Å | ||
| 620 | E | 83.3 | Confident | 87 | Confident | 28 Ų | 28 | 32.5 Ų | 32.5 | 13% | 0.131 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -26.3 | -179.4 | -51.7 | 177.3 | -172.3 | 0 | 0 | 112.9 | N593 R618 N675 R676 P699 | N593-E620 PolarHBondContact ND2-OE1 3.03Å; N593-E620 PolarHBondContact ND2-OE2 2.89Å; N593-E620 PolarHBondContact OD1-OE2 3.48Å; R618-E620 PolarHBondContact O-N 2.81Å; E620-N675 PolarHBondContact O-OD1 3.12Å; E620-R676 WeakPolarHBondContact O-CB 3.2Å; E620-R676 PolarHBondContact O-N 3.23Å; E620-P699 VanDerWaalsContact OE2-CD 3.24Å; E620-P699 WeakPolarHBondContact OE2-CD 3.44Å; E620-P699 WeakPolarHBondContact OE2-CG 3.29Å |
| 621 | N | 86.6 | Confident | 87.6 | Confident | 18 Ų | 18 | 29.2 Ų | 29.2 | 10% | 0.096 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 6.9 | -179 | -65.4 | -56.6 | 0 | 0 | 0 | 114.3 | N593 L594 L599 Q619 S623 R676 | N593-N621 PolarHBondContact OD1-ND2 3.23Å; L594-N621 WeakPolarHBondContact O-CB 3.44Å; L594-N621 PolarHBondContact O-ND2 3.22Å; L599-N621 HydrophobicContact CD1-CB 3.87Å; Q619-N621 PolarHBondContact O-N 3.47Å; N621-S623 PolarHBondContact O-N 3.22Å; N621-R676 WeakPolarHBondContact OD1-CD 3.35Å; N621-R676 PolarHBondContact OD1-NH1 2.85Å |
| 622 | S | 88.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -61.8 | 129.7 | 177.1 | -78.1 | 0 | 0 | 0 | 0 | 111.6 | F616 Q619 N675 H677 | F616-S622 VanDerWaalsContact O-CB 3.29Å; F616-S622 WeakPolarHBondContact O-CB 3.49Å; F616-S622 PolarHBondContact O-OG 3.2Å; Q619-S622 WeakPolarHBondContact CB-OG 3.47Å; Q619-S622 PolarHBondContact O-N 3Å; S622-N675 PolarHBondContact O-ND2 3.37Å; S622-N675 PolarHBondContact O-OD1 3.03Å; S622-H677 PolarHBondContact O-CD2 2.88Å; S622-H677 VanDerWaalsContact O-CD2 3.31Å | ||
| 623 | S | 89 | Confident | 88.7 | Confident | 44 Ų | 44 | 28 Ų | 28 | 31% | 0.308 | 14% | 0.139 | S | C | . | . | trans | -65.1 | 159.5 | 173.9 | 67.5 | 0 | 0 | 0 | 0 | 111.7 | N621 A625 Q626 V627 | N621-S623 PolarHBondContact O-N 3.22Å; S623-A625 PolarHBondContact O-N 3.44Å; S623-Q626 WeakPolarHBondContact O-CB 3.32Å; S623-Q626 PolarHBondContact O-N 3Å; S623-Q626 WeakPolarHBondContact OG-CG 3.44Å; S623-Q626 PolarHBondContact OG-N 3.16Å; S623-Q626 PolarHBondContact OG-OE1 2.7Å; S623-V627 PolarHBondContact O-N 3.38Å | ||
| 624 | R | 90.4 | Very high | 88.7 | Confident | 44 Ų | 44 | 30.2 Ų | 30.2 | 17% | 0.166 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -50.8 | -41.4 | 173.8 | 169.8 | 174.2 | 178.2 | -169.2 | -1 | 112.6 | V627 D628 L648 A649 Q651 D653 W656 W657 | R624-V627 PolarHBondContact O-N 2.98Å; R624-D628 WeakPolarHBondContact O-CB 3.42Å; R624-D628 PolarHBondContact O-N 2.81Å; R624-L648 PolarHBondContact NH2-O 2.75Å; R624-A649 PolarHBondContact NH2-O 3.18Å; R624-Q651 VanDerWaalsContact CZ-O 3.22Å; R624-Q651 PolarHBondContact NH1-O 3.31Å; R624-Q651 PolarHBondContact NH2-O 3.09Å; R624-D653 WeakPolarHBondContact CD-OD1 3.14Å; R624-D653 IonicContact CZ-OD1 2.8Å; R624-D653 IonicContact NE-OD1 3.57Å; R624-D653 IonicContact NH1-OD1 2.97Å; R624-D653 PolarHBondContact NH1-OD1 3.24Å; R624-W656 HydrophobicContact CB-CE3 4.36Å; R624-W656 HydrophobicContact CB-CZ3 4.18Å; R624-W656 HydrophobicContact CG-CD2 3.79Å; R624-W656 HydrophobicContact CG-CE3 3.62Å; R624-W656 HydrophobicContact CG-CG 4.49Å; R624-W656 HydrophobicContact CG-CH2 3.94Å; R624-W656 HydrophobicContact CG-CZ2 4.14Å; R624-W656 HydrophobicContact CG-CZ3 3.69Å; R624-W656 VanDerWaalsContact CZ-CG 3.43Å; R624-W656 VanDerWaalsContact NE-CD2 3.35Å; R624-W656 WeakPolarHBondContact O-CH2 3.41Å; R624-W657 HydrophobicContact CB-CZ2 4.05Å |
| 625 | A | 89.7 | Confident | 89 | Confident | 62 Ų | 62 | 27.9 Ų | 27.9 | 51% | 0.512 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -66.5 | -38.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S623 D628 E629 | S623-A625 PolarHBondContact O-N 3.44Å; A625-D628 PolarHBondContact O-N 3.36Å; A625-E629 WeakPolarHBondContact O-CB 3.38Å; A625-E629 PolarHBondContact O-N 3.5Å |
| 626 | Q | 91.5 | Very high | 89 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.2 | -42.4 | 175.5 | -76.4 | 160.9 | -36.2 | 0 | 0 | 111.6 | L599 Q603 F616 S623 E629 A630 | L599-Q626 VanDerWaalsContact C-NE2 3.28Å; L599-Q626 PolarHBondContact O-NE2 3.26Å; L599-Q626 VanDerWaalsContact O-NE2 3.13Å; Q603-Q626 HydrophobicContact CB-CG 4.47Å; Q603-Q626 HydrophobicContact CG-CG 4.32Å; F616-Q626 HydrophobicContact CD1-CB 3.86Å; F616-Q626 HydrophobicContact CD1-CG 4.04Å; F616-Q626 HydrophobicContact CE1-CB 4.36Å; F616-Q626 HydrophobicContact CE1-CG 4.02Å; S623-Q626 WeakPolarHBondContact O-CB 3.32Å; S623-Q626 PolarHBondContact O-N 3Å; S623-Q626 WeakPolarHBondContact OG-CG 3.44Å; S623-Q626 PolarHBondContact OG-N 3.16Å; S623-Q626 PolarHBondContact OG-OE1 2.7Å; Q626-E629 PolarHBondContact O-N 2.99Å; Q626-A630 WeakPolarHBondContact O-CB 3.32Å; Q626-A630 PolarHBondContact O-N 3Å |
| 627 | V | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67 | -40.2 | 175.6 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | L617 S623 R624 A630 L631 W656 W657 L660 | L617-V627 HydrophobicContact CD2-CG1 3.88Å; S623-V627 PolarHBondContact O-N 3.38Å; R624-V627 PolarHBondContact O-N 2.98Å; V627-A630 PolarHBondContact O-N 3.47Å; V627-L631 HydrophobicContact CG1-CD1 4.1Å; V627-L631 HydrophobicContact CG1-CG 4.31Å; V627-L631 WeakPolarHBondContact O-CB 3.3Å; V627-L631 VanDerWaalsContact O-CG 3.24Å; V627-L631 WeakPolarHBondContact O-CG 3.39Å; V627-L631 PolarHBondContact O-N 2.86Å; V627-W656 HydrophobicContact CB-CH2 3.77Å; V627-W656 HydrophobicContact CB-CZ3 4.26Å; V627-W656 HydrophobicContact CG1-CH2 3.62Å; V627-W656 HydrophobicContact CG1-CZ3 4.1Å; V627-W657 HydrophobicContact CB-CH2 3.97Å; V627-W657 HydrophobicContact CB-CZ3 4.35Å; V627-W657 HydrophobicContact CG1-CH2 4.2Å; V627-W657 HydrophobicContact CG1-CZ3 4.06Å; V627-W657 HydrophobicContact CG2-CH2 3.67Å; V627-W657 HydrophobicContact CG2-CZ3 4.21Å; V627-L660 HydrophobicContact CG1-CD1 4.34Å |
| 628 | D | 92.2 | Very high | 88.7 | Confident | 26 Ų | 26 | 40.9 Ų | 40.9 | 14% | 0.139 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.6 | -46.7 | 174.8 | -165.6 | 85.6 | 0 | 0 | 0 | 111.5 | R624 A625 L631 R632 W656 | R624-D628 WeakPolarHBondContact O-CB 3.42Å; R624-D628 PolarHBondContact O-N 2.81Å; A625-D628 PolarHBondContact O-N 3.36Å; D628-L631 PolarHBondContact O-N 3.46Å; D628-R632 VanDerWaalsContact O-CG 3.29Å; D628-R632 WeakPolarHBondContact O-CG 3.28Å; D628-R632 PolarHBondContact O-N 2.78Å; D628-R632 IonicContact OD2-CZ 2.72Å; D628-R632 IonicContact OD2-NE 3.52Å; D628-R632 PolarHBondContact OD2-NE 2.84Å; D628-R632 IonicContact OD2-NH2 2.75Å; D628-W656 HydrophobicContact CB-CH2 4.23Å; D628-W656 HydrophobicContact CB-CZ2 3.63Å |
| 629 | E | 92.1 | Very high | 88.8 | Confident | 49 Ų | 49 | 39.5 Ų | 39.5 | 23% | 0.229 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 176.7 | -168.5 | 176.1 | -175.4 | 0 | 0 | 111.1 | Q603 R608 W612 A625 Q626 R632 V633 | Q603-E629 PolarHBondContact NE2-OE2 3.15Å; R608-E629 IonicContact CZ-OE1 3.82Å; R608-E629 IonicContact NE-OE1 3.91Å; R608-E629 PolarHBondContact NE-OE1 3.14Å; R608-E629 IonicContact NH2-OE1 2.79Å; W612-E629 HydrophobicContact CH2-CB 4.1Å; W612-E629 HydrophobicContact CH2-CG 3.78Å; W612-E629 HydrophobicContact CZ3-CB 4.33Å; W612-E629 HydrophobicContact CZ3-CG 4.01Å; A625-E629 WeakPolarHBondContact O-CB 3.38Å; A625-E629 PolarHBondContact O-N 3.5Å; Q626-E629 PolarHBondContact O-N 2.99Å; E629-R632 PolarHBondContact O-N 2.94Å; E629-V633 VanDerWaalsContact O-CG2 3.29Å; E629-V633 WeakPolarHBondContact O-CG2 3.22Å; E629-V633 PolarHBondContact O-N 2.81Å |
| 630 | A | 90.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | W612 A613 F616 L617 Q626 V627 R632 V633 Y634 | W612-A630 HydrophobicContact CZ3-CB 4.07Å; A613-A630 HydrophobicContact CB-CB 4.35Å; A613-A630 VanDerWaalsContact CB-O 3.26Å; A613-A630 WeakPolarHBondContact CB-O 3.08Å; F616-A630 HydrophobicContact CB-CB 3.84Å; L617-A630 HydrophobicContact CD1-CB 4.48Å; L617-A630 HydrophobicContact CD2-CB 4.25Å; L617-A630 HydrophobicContact CG-CB 3.93Å; Q626-A630 WeakPolarHBondContact O-CB 3.32Å; Q626-A630 PolarHBondContact O-N 3Å; V627-A630 PolarHBondContact O-N 3.47Å; A630-R632 VanDerWaalsContact C-N 3.34Å; A630-R632 PolarHBondContact O-N 3.39Å; A630-V633 PolarHBondContact O-N 3.26Å; A630-Y634 WeakPolarHBondContact O-CB 3.24Å; A630-Y634 PolarHBondContact O-N 3.21Å |
| 631 | L | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.9 | -39.8 | 174.9 | -70.6 | 176.7 | 0 | 0 | 0 | 111.8 | L617 V627 D628 Y634 Y635 L645 L660 F667 F668 | L617-L631 HydrophobicContact CD1-CD2 4.02Å; L617-L631 HydrophobicContact CD2-CD2 3.55Å; L617-L631 HydrophobicContact CD2-CG 3.8Å; L617-L631 HydrophobicContact CG-CD2 4.45Å; V627-L631 HydrophobicContact CG1-CD1 4.1Å; V627-L631 HydrophobicContact CG1-CG 4.31Å; V627-L631 WeakPolarHBondContact O-CB 3.3Å; V627-L631 VanDerWaalsContact O-CG 3.24Å; V627-L631 WeakPolarHBondContact O-CG 3.39Å; V627-L631 PolarHBondContact O-N 2.86Å; D628-L631 PolarHBondContact O-N 3.46Å; L631-Y634 PolarHBondContact O-N 3.01Å; L631-Y635 HydrophobicContact CD2-CD2 4.34Å; L631-Y635 HydrophobicContact CD2-CE2 4.08Å; L631-Y635 WeakPolarHBondContact O-CB 3.23Å; L631-Y635 WeakPolarHBondContact O-CD2 3.47Å; L631-Y635 PolarHBondContact O-N 3.36Å; L631-L645 HydrophobicContact CB-CD1 3.78Å; L631-L645 HydrophobicContact CB-CD2 4.01Å; L631-L645 HydrophobicContact CD1-CD2 3.91Å; L631-L660 HydrophobicContact CD1-CD1 3.85Å; L631-L660 HydrophobicContact CD1-CD2 3.56Å; L631-L660 HydrophobicContact CD1-CG 4.38Å; L631-F667 HydrophobicContact CD2-CB 4.22Å; L631-F668 HydrophobicContact CB-CE1 4.3Å; L631-F668 HydrophobicContact CD1-CD1 3.9Å; L631-F668 HydrophobicContact CD1-CE1 4.13Å; L631-F668 HydrophobicContact CD1-CG 4.32Å; L631-F668 HydrophobicContact CD2-CD1 3.65Å; L631-F668 HydrophobicContact CD2-CE1 4.08Å; L631-F668 HydrophobicContact CG-CD1 4.28Å; L631-F668 HydrophobicContact CG-CE1 4.4Å |
| 632 | R | 93 | Very high | 89 | Confident | 69 Ų | 69 | 45.2 Ų | 45.2 | 26% | 0.26 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 176 | -72.9 | 174.9 | -177.6 | -83.5 | -2.8 | 112.8 | D628 E629 A630 A636 L642 L645 D646 | D628-R632 VanDerWaalsContact O-CG 3.29Å; D628-R632 WeakPolarHBondContact O-CG 3.28Å; D628-R632 PolarHBondContact O-N 2.78Å; D628-R632 IonicContact OD2-CZ 2.72Å; D628-R632 IonicContact OD2-NE 3.52Å; D628-R632 PolarHBondContact OD2-NE 2.84Å; D628-R632 IonicContact OD2-NH2 2.75Å; E629-R632 PolarHBondContact O-N 2.94Å; A630-R632 VanDerWaalsContact C-N 3.34Å; A630-R632 PolarHBondContact O-N 3.39Å; R632-A636 WeakPolarHBondContact O-CA 3.45Å; R632-A636 WeakPolarHBondContact O-CB 3.13Å; R632-A636 PolarHBondContact O-N 3.16Å; R632-A636 VanDerWaalsContact O-N 3.1Å; R632-L642 HydrophobicContact CB-CD2 4.14Å; R632-L642 HydrophobicContact CG-CD2 4.04Å; R632-L645 HydrophobicContact CG-CD1 3.88Å; R632-D646 IonicContact CZ-OD1 2.63Å; R632-D646 IonicContact NH1-OD1 2.62Å; R632-D646 PolarHBondContact NH1-OD1 3.48Å; R632-D646 IonicContact NH2-OD1 3.18Å; R632-D646 PolarHBondContact NH2-OD1 3.35Å |
| 633 | V | 90.4 | Very high | 89 | Confident | 33 Ų | 33 | 47.6 Ų | 47.6 | 20% | 0.2 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69 | -44.6 | 174.9 | 173 | 0 | 0 | 0 | 0 | 110.2 | R608 N609 W612 A613 E629 A630 A636 | R608-V633 HydrophobicContact CB-CG2 4.05Å; N609-V633 WeakPolarHBondContact O-CG1 3.22Å; W612-V633 HydrophobicContact CE3-CG2 4.4Å; W612-V633 HydrophobicContact CZ3-CG2 4.31Å; A613-V633 HydrophobicContact CB-CB 4.14Å; A613-V633 HydrophobicContact CB-CG1 4.03Å; E629-V633 VanDerWaalsContact O-CG2 3.29Å; E629-V633 WeakPolarHBondContact O-CG2 3.22Å; E629-V633 PolarHBondContact O-N 2.81Å; A630-V633 PolarHBondContact O-N 3.26Å; V633-A636 WeakPolarHBondContact O-CB 3.47Å; V633-A636 PolarHBondContact O-N 3.33Å |
| 634 | Y | 87.6 | Confident | 89 | Confident | 47 Ų | 47 | 49.9 Ų | 49.9 | 18% | 0.184 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 179.9 | -164.3 | -102 | 0 | 0 | 0 | 112.6 | D610 A613 K614 A630 L631 A636 F667 | D610-Y634 WeakPolarHBondContact OD1-CD2 3.37Å; D610-Y634 WeakPolarHBondContact OD1-CE2 3.42Å; D610-Y634 WeakPolarHBondContact OD2-CE2 3.21Å; A613-Y634 HydrophobicContact CB-CD2 4.21Å; K614-Y634 HydrophobicContact CD-CE2 4.33Å; K614-Y634 HydrophobicContact CG-CD2 4.23Å; K614-Y634 HydrophobicContact CG-CE2 3.97Å; A630-Y634 WeakPolarHBondContact O-CB 3.24Å; A630-Y634 PolarHBondContact O-N 3.21Å; L631-Y634 PolarHBondContact O-N 3.01Å; Y634-A636 VanDerWaalsContact C-N 3.34Å; Y634-F667 HydrophobicContact CD1-CB 4.07Å; Y634-F667 AromaticContact CD1-CD2 3.76Å; Y634-F667 HydrophobicContact CD1-CD2 3.76Å; Y634-F667 HydrophobicContact CD1-CE2 4.37Å; Y634-F667 AromaticContact CD1-CG 3.89Å; Y634-F667 HydrophobicContact CD1-CG 3.89Å; Y634-F667 HydrophobicContact CE1-CB 4.22Å; Y634-F667 HydrophobicContact CE1-CD1 4.38Å; Y634-F667 AromaticContact CE1-CD2 3.04Å; Y634-F667 HydrophobicContact CE1-CD2 3.04Å; Y634-F667 AromaticContact CE1-CE2 3.33Å; Y634-F667 HydrophobicContact CE1-CE2 3.33Å; Y634-F667 AromaticContact CE1-CG 3.63Å; Y634-F667 HydrophobicContact CE1-CG 3.63Å; Y634-F667 HydrophobicContact CE1-CZ 4.12Å; Y634-F667 HydrophobicContact CE2-CD2 4.47Å; Y634-F667 HydrophobicContact CE2-CE2 4.19Å; Y634-F667 HydrophobicContact CE2-CZ 4.21Å; Y634-F667 AromaticContact CZ-CD2 3.49Å; Y634-F667 VanDerWaalsContact CZ-CD2 3.49Å; Y634-F667 AromaticContact CZ-CE2 3.22Å; Y634-F667 AromaticContact CZ-CZ 3.65Å; Y634-F667 WeakPolarHBondContact OH-CE2 3.33Å; Y634-F667 WeakPolarHBondContact OH-CZ 3.25Å |
| 635 | Y | 90.3 | Very high | 88.9 | Confident | 25 Ų | 25 | 47.8 Ų | 47.8 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 23.2 | -179.7 | -69.6 | -77 | 0 | 0 | 0 | 112.9 | L631 L637 D638 A641 L665 F667 F668 | L631-Y635 HydrophobicContact CD2-CD2 4.34Å; L631-Y635 HydrophobicContact CD2-CE2 4.08Å; L631-Y635 WeakPolarHBondContact O-CB 3.23Å; L631-Y635 WeakPolarHBondContact O-CD2 3.47Å; L631-Y635 PolarHBondContact O-N 3.36Å; Y635-L637 PolarHBondContact O-N 3Å; Y635-D638 HydrophobicContact CD1-CB 3.96Å; Y635-D638 PolarHBondContact O-N 3.18Å; Y635-A641 HydrophobicContact CD1-CB 3.75Å; Y635-A641 HydrophobicContact CD2-CB 4.42Å; Y635-A641 HydrophobicContact CE1-CB 4.48Å; Y635-A641 HydrophobicContact CG-CB 3.71Å; Y635-L665 HydrophobicContact CE1-CD2 4.4Å; Y635-F667 HydrophobicContact CE2-CB 3.85Å; Y635-F667 PolarHBondContact OH-N 3.06Å; Y635-F668 HydrophobicContact CD2-CD1 4.06Å; Y635-F668 AromaticContact CD2-CE1 3.57Å; Y635-F668 HydrophobicContact CD2-CE1 3.57Å; Y635-F668 AromaticContact CE2-CD1 3.54Å; Y635-F668 HydrophobicContact CE2-CD1 3.54Å; Y635-F668 AromaticContact CE2-CE1 3.54Å; Y635-F668 HydrophobicContact CE2-CE1 3.54Å; Y635-F668 HydrophobicContact CG-CE1 4.4Å |
| 636 | A | 86.5 | Confident | 88.9 | Confident | 61 Ų | 61 | 48.9 Ų | 48.9 | 50% | 0.504 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R632 V633 Y634 | R632-A636 WeakPolarHBondContact O-CA 3.45Å; R632-A636 WeakPolarHBondContact O-CB 3.13Å; R632-A636 PolarHBondContact O-N 3.16Å; R632-A636 VanDerWaalsContact O-N 3.1Å; V633-A636 WeakPolarHBondContact O-CB 3.47Å; V633-A636 PolarHBondContact O-N 3.33Å; Y634-A636 VanDerWaalsContact C-N 3.34Å |
| 637 | L | 84.4 | Confident | 88.8 | Confident | 173 Ų | 173 | 53.4 Ų | 53.4 | 91% | 0.906 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -2.5 | 177.4 | -62.5 | 173.9 | 0 | 0 | 0 | 113.8 | Y635 P639 | Y635-L637 PolarHBondContact O-N 3Å; L637-P639 WeakPolarHBondContact O-CD 3.14Å |
| 638 | D | 84.9 | Confident | 88.6 | Confident | 52 Ų | 52 | 54 Ų | 54 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | trans | -110.5 | 95.3 | 178.5 | -175.3 | -15.4 | 0 | 0 | 0 | 110.1 | Y635 D640 A641 L642 | Y635-D638 HydrophobicContact CD1-CB 3.96Å; Y635-D638 PolarHBondContact O-N 3.18Å; D638-D640 PolarHBondContact O-N 2.83Å; D638-D640 PolarHBondContact OD1-N 2.79Å; D638-D640 VanDerWaalsContact OD1-N 3.1Å; D638-A641 HydrophobicContact CB-CB 3.97Å; D638-A641 PolarHBondContact O-N 2.77Å; D638-A641 PolarHBondContact OD1-N 2.76Å; D638-A641 VanDerWaalsContact OD1-N 3.17Å; D638-L642 PolarHBondContact O-N 3.03Å; D638-L642 VanDerWaalsContact O-N 3.1Å | ||
| 639 | P | 86 | Confident | 88.3 | Confident | 94 Ų | 94 | 55 Ų | 55 | 61% | 0.61 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.7 | -26 | -176.9 | 23.7 | -31.5 | 0 | 0 | 0 | 113.4 | L637 A643 | L637-P639 WeakPolarHBondContact O-CD 3.14Å; P639-A643 WeakPolarHBondContact O-CB 3.3Å; P639-A643 PolarHBondContact O-N 2.74Å |
| 640 | D | 85.5 | Confident | 88 | Confident | 121 Ų | 121 | 61.6 Ų | 61.6 | 65% | 0.647 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -75.5 | -41.6 | 179.6 | -71.6 | -30.2 | 0 | 0 | 0 | 110.9 | D638 L642 A643 Q644 | D638-D640 PolarHBondContact O-N 2.83Å; D638-D640 PolarHBondContact OD1-N 2.79Å; D638-D640 VanDerWaalsContact OD1-N 3.1Å; D640-L642 VanDerWaalsContact C-N 3.34Å; D640-A643 PolarHBondContact O-N 3.06Å; D640-Q644 WeakPolarHBondContact O-CG 3.25Å; D640-Q644 PolarHBondContact O-N 3.14Å |
| 641 | A | 85.2 | Confident | 88 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.008 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y635 D638 Q644 L645 L665 F668 | Y635-A641 HydrophobicContact CD1-CB 3.75Å; Y635-A641 HydrophobicContact CD2-CB 4.42Å; Y635-A641 HydrophobicContact CE1-CB 4.48Å; Y635-A641 HydrophobicContact CG-CB 3.71Å; D638-A641 HydrophobicContact CB-CB 3.97Å; D638-A641 PolarHBondContact O-N 2.77Å; D638-A641 PolarHBondContact OD1-N 2.76Å; D638-A641 VanDerWaalsContact OD1-N 3.17Å; A641-Q644 PolarHBondContact O-N 3.06Å; A641-L645 PolarHBondContact O-N 3.07Å; A641-L665 HydrophobicContact CB-CD1 3.82Å; A641-F668 HydrophobicContact CB-CE1 4.42Å; A641-F668 HydrophobicContact CB-CZ 4.24Å |
| 642 | L | 89.5 | Confident | 87.8 | Confident | 45 Ų | 45 | 68.6 Ų | 68.6 | 24% | 0.236 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.9 | -43 | 174.1 | -72.8 | 171.5 | 0 | 0 | 0 | 112.2 | R632 D638 D640 Q644 L645 D646 | R632-L642 HydrophobicContact CB-CD2 4.14Å; R632-L642 HydrophobicContact CG-CD2 4.04Å; D638-L642 PolarHBondContact O-N 3.03Å; D638-L642 VanDerWaalsContact O-N 3.1Å; D640-L642 VanDerWaalsContact C-N 3.34Å; L642-Q644 VanDerWaalsContact C-N 3.31Å; L642-Q644 PolarHBondContact O-N 2.94Å; L642-L645 PolarHBondContact O-N 2.86Å; L642-D646 PolarHBondContact O-N 2.81Å |
| 643 | A | 88 | Confident | 87.4 | Confident | 50 Ų | 50 | 69.6 Ų | 69.6 | 41% | 0.413 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.4 | -38 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P639 D640 D646 V647 | P639-A643 WeakPolarHBondContact O-CB 3.3Å; P639-A643 PolarHBondContact O-N 2.74Å; D640-A643 PolarHBondContact O-N 3.06Å; A643-D646 PolarHBondContact O-N 2.77Å; A643-V647 WeakPolarHBondContact O-CG2 3.36Å; A643-V647 PolarHBondContact O-N 3.02Å |
| 644 | Q | 87.5 | Confident | 87.2 | Confident | 91 Ų | 91 | 77.2 Ų | 77.2 | 43% | 0.425 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 173.4 | -72 | -176.2 | 21 | 0 | 0 | 112.1 | D640 A641 L642 D646 V647 L648 F668 | D640-Q644 WeakPolarHBondContact O-CG 3.25Å; D640-Q644 PolarHBondContact O-N 3.14Å; A641-Q644 PolarHBondContact O-N 3.06Å; L642-Q644 VanDerWaalsContact C-N 3.31Å; L642-Q644 PolarHBondContact O-N 2.94Å; Q644-D646 VanDerWaalsContact C-N 3.34Å; Q644-D646 PolarHBondContact O-N 2.77Å; Q644-V647 PolarHBondContact O-N 2.88Å; Q644-L648 WeakPolarHBondContact O-CB 3.47Å; Q644-L648 VanDerWaalsContact O-CG 3.31Å; Q644-L648 WeakPolarHBondContact O-CG 3.26Å; Q644-L648 PolarHBondContact O-N 2.94Å; Q644-F668 HydrophobicContact CB-CE2 4.28Å |
| 645 | L | 89.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63 | -38.1 | 175.3 | -76 | 159 | 0 | 0 | 0 | 112.1 | L631 R632 A641 L642 V647 L648 A649 F668 | L631-L645 HydrophobicContact CB-CD1 3.78Å; L631-L645 HydrophobicContact CB-CD2 4.01Å; L631-L645 HydrophobicContact CD1-CD2 3.91Å; R632-L645 HydrophobicContact CG-CD1 3.88Å; A641-L645 PolarHBondContact O-N 3.07Å; L642-L645 PolarHBondContact O-N 2.86Å; L645-V647 VanDerWaalsContact C-N 3.34Å; L645-V647 PolarHBondContact O-N 3Å; L645-L648 PolarHBondContact O-N 2.88Å; L645-A649 VanDerWaalsContact O-CB 3.31Å; L645-A649 WeakPolarHBondContact O-CB 3.02Å; L645-A649 PolarHBondContact O-N 3.25Å; L645-F668 HydrophobicContact CD1-CE1 4.05Å; L645-F668 HydrophobicContact CD1-CZ 3.82Å; L645-F668 HydrophobicContact CD2-CE1 4.49Å; L645-F668 HydrophobicContact CD2-CE2 4.48Å; L645-F668 HydrophobicContact CD2-CZ 4.04Å; L645-F668 HydrophobicContact CG-CE1 4.24Å; L645-F668 HydrophobicContact CG-CE2 4.29Å; L645-F668 HydrophobicContact CG-CZ 3.6Å |
| 646 | D | 90.2 | Very high | 87.3 | Confident | 86 Ų | 86 | 77.4 Ų | 77.4 | 46% | 0.46 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.6 | -36.9 | 176.1 | -75.5 | -15.5 | 0 | 0 | 0 | 113.1 | R632 L642 A643 Q644 | R632-D646 IonicContact CZ-OD1 2.63Å; R632-D646 IonicContact NH1-OD1 2.62Å; R632-D646 PolarHBondContact NH1-OD1 3.48Å; R632-D646 IonicContact NH2-OD1 3.18Å; R632-D646 PolarHBondContact NH2-OD1 3.35Å; L642-D646 PolarHBondContact O-N 2.81Å; A643-D646 PolarHBondContact O-N 2.77Å; Q644-D646 VanDerWaalsContact C-N 3.34Å; Q644-D646 PolarHBondContact O-N 2.77Å |
| 647 | V | 87.9 | Confident | 87.5 | Confident | 99 Ų | 99 | 74.8 Ų | 74.8 | 60% | 0.6 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -69.9 | -42.3 | 173.3 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | A643 Q644 L645 | A643-V647 WeakPolarHBondContact O-CG2 3.36Å; A643-V647 PolarHBondContact O-N 3.02Å; Q644-V647 PolarHBondContact O-N 2.88Å; L645-V647 VanDerWaalsContact C-N 3.34Å; L645-V647 PolarHBondContact O-N 3Å |
| 648 | L | 87.8 | Confident | 87.6 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.5 | -35 | -179.4 | -77.1 | 173.7 | 0 | 0 | 0 | 113.1 | R624 Q644 L645 K650 Q651 W656 T659 L660 F668 | R624-L648 PolarHBondContact NH2-O 2.75Å; Q644-L648 WeakPolarHBondContact O-CB 3.47Å; Q644-L648 VanDerWaalsContact O-CG 3.31Å; Q644-L648 WeakPolarHBondContact O-CG 3.26Å; Q644-L648 PolarHBondContact O-N 2.94Å; L645-L648 PolarHBondContact O-N 2.88Å; L648-K650 PolarHBondContact O-N 3.43Å; L648-Q651 HydrophobicContact CD2-CG 4.41Å; L648-Q651 WeakPolarHBondContact O-CB 3.07Å; L648-Q651 PolarHBondContact O-N 2.82Å; L648-W656 VanDerWaalsContact O-CD1 3.25Å; L648-T659 HydrophobicContact CD1-CG2 4.28Å; L648-T659 VanDerWaalsContact CD2-CB 3.45Å; L648-T659 HydrophobicContact CD2-CG2 3.6Å; L648-T659 HydrophobicContact CG-CG2 4.47Å; L648-L660 HydrophobicContact CD1-CD2 4.16Å; L648-F668 HydrophobicContact CD1-CE2 4.42Å |
| 649 | A | 85 | Confident | 87.7 | Confident | 47 Ų | 47 | 67.9 Ų | 67.9 | 39% | 0.388 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -28.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R624 L645 | R624-A649 PolarHBondContact NH2-O 3.18Å; L645-A649 VanDerWaalsContact O-CB 3.31Å; L645-A649 WeakPolarHBondContact O-CB 3.02Å; L645-A649 PolarHBondContact O-N 3.25Å |
| 650 | K | 87.1 | Confident | 87.9 | Confident | 187 Ų | 187 | 63.4 Ų | 63.4 | 81% | 0.813 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -7.5 | 178.5 | -60.8 | 179.5 | -174.8 | 173.2 | 0 | 114.7 | L648 | L648-K650 PolarHBondContact O-N 3.43Š|
| 651 | Q | 90.2 | Very high | 88 | Confident | 72 Ų | 72 | 57.8 Ų | 57.8 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -85.1 | 154 | -177 | -61.2 | -62.5 | -24.6 | 0 | 0 | 112.3 | R624 L648 I655 | R624-Q651 VanDerWaalsContact CZ-O 3.22Å; R624-Q651 PolarHBondContact NH1-O 3.31Å; R624-Q651 PolarHBondContact NH2-O 3.09Å; L648-Q651 HydrophobicContact CD2-CG 4.41Å; L648-Q651 WeakPolarHBondContact O-CB 3.07Å; L648-Q651 PolarHBondContact O-N 2.82Å; Q651-I655 HydrophobicContact CB-CB 4.11Å; Q651-I655 HydrophobicContact CB-CG2 3.91Å; Q651-I655 HydrophobicContact CG-CG2 4.06Å |
| 652 | P | 87.9 | Confident | 87.9 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | trans | -62.6 | 151.9 | 170.9 | -17 | 28.3 | 0 | 0 | 0 | 112.5 | R654 I655 W656 | P652-R654 VanDerWaalsContact C-N 3.26Å; P652-R654 PolarHBondContact O-N 3.33Å; P652-R654 VanDerWaalsContact O-N 3.1Å; P652-I655 HydrophobicContact CG-CD1 4.18Å; P652-I655 HydrophobicContact CG-CG1 4.45Å; P652-I655 CarbonylContact O-C 3.56Å; P652-I655 WeakPolarHBondContact O-CA 3.5Å; P652-I655 PolarHBondContact O-N 2.86Å; P652-W656 PolarHBondContact O-N 3.04Å | ||
| 653 | D | 85.2 | Confident | 87.7 | Confident | 91 Ų | 91 | 63 Ų | 63 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -48.7 | -43.8 | -177.2 | -81.9 | 15 | 0 | 0 | 0 | 113.9 | R624 I655 W656 W657 | R624-D653 WeakPolarHBondContact CD-OD1 3.14Å; R624-D653 IonicContact CZ-OD1 2.8Å; R624-D653 IonicContact NE-OD1 3.57Å; R624-D653 IonicContact NH1-OD1 2.97Å; R624-D653 PolarHBondContact NH1-OD1 3.24Å; D653-I655 VanDerWaalsContact C-N 3.29Å; D653-I655 PolarHBondContact O-N 2.81Å; D653-W656 PolarHBondContact O-N 3.19Å; D653-W657 PolarHBondContact O-N 2.75Å |
| 654 | R | 84.1 | Confident | 87.4 | Confident | 193 Ų | 193 | 67.5 Ų | 67.5 | 73% | 0.728 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.5 | -41.1 | 178.5 | -172.4 | -176.3 | -179.6 | -154.2 | 0.4 | 112.1 | P652 S658 P679 | P652-R654 VanDerWaalsContact C-N 3.26Å; P652-R654 PolarHBondContact O-N 3.33Å; P652-R654 VanDerWaalsContact O-N 3.1Å; R654-S658 WeakPolarHBondContact O-CB 3.14Å; R654-S658 PolarHBondContact O-N 2.74Å; R654-P679 HydrophobicContact CG-CG 4.26Å |
| 655 | I | 87.3 | Confident | 87.3 | Confident | 76 Ų | 76 | 65.3 Ų | 65.3 | 39% | 0.39 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -75.7 | -39.2 | 178.8 | -60.3 | -172.8 | 0 | 0 | 0 | 109.6 | Q651 P652 D653 S658 T659 | Q651-I655 HydrophobicContact CB-CB 4.11Å; Q651-I655 HydrophobicContact CB-CG2 3.91Å; Q651-I655 HydrophobicContact CG-CG2 4.06Å; P652-I655 HydrophobicContact CG-CD1 4.18Å; P652-I655 HydrophobicContact CG-CG1 4.45Å; P652-I655 CarbonylContact O-C 3.56Å; P652-I655 WeakPolarHBondContact O-CA 3.5Å; P652-I655 PolarHBondContact O-N 2.86Å; D653-I655 VanDerWaalsContact C-N 3.29Å; D653-I655 PolarHBondContact O-N 2.81Å; I655-S658 PolarHBondContact O-N 2.91Å; I655-T659 WeakPolarHBondContact O-CB 3.48Å; I655-T659 PolarHBondContact O-N 3.38Å; I655-T659 PolarHBondContact O-OG1 3.1Å |
| 656 | W | 92.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60 | -56.9 | 179 | -167.6 | 85.3 | 0 | 0 | 0 | 112.2 | R624 V627 D628 L648 P652 D653 S658 T659 L660 | R624-W656 HydrophobicContact CB-CE3 4.36Å; R624-W656 HydrophobicContact CB-CZ3 4.18Å; R624-W656 HydrophobicContact CG-CD2 3.79Å; R624-W656 HydrophobicContact CG-CE3 3.62Å; R624-W656 HydrophobicContact CG-CG 4.49Å; R624-W656 HydrophobicContact CG-CH2 3.94Å; R624-W656 HydrophobicContact CG-CZ2 4.14Å; R624-W656 HydrophobicContact CG-CZ3 3.69Å; R624-W656 VanDerWaalsContact CZ-CG 3.43Å; R624-W656 VanDerWaalsContact NE-CD2 3.35Å; R624-W656 WeakPolarHBondContact O-CH2 3.41Å; V627-W656 HydrophobicContact CB-CH2 3.77Å; V627-W656 HydrophobicContact CB-CZ3 4.26Å; V627-W656 HydrophobicContact CG1-CH2 3.62Å; V627-W656 HydrophobicContact CG1-CZ3 4.1Å; D628-W656 HydrophobicContact CB-CH2 4.23Å; D628-W656 HydrophobicContact CB-CZ2 3.63Å; L648-W656 VanDerWaalsContact O-CD1 3.25Å; P652-W656 PolarHBondContact O-N 3.04Å; D653-W656 PolarHBondContact O-N 3.19Å; W656-S658 VanDerWaalsContact C-N 3.33Å; W656-S658 PolarHBondContact O-N 3.13Å; W656-T659 PolarHBondContact O-N 3.23Å; W656-T659 VanDerWaalsContact O-N 3.12Å; W656-L660 HydrophobicContact CD2-CD1 3.92Å; W656-L660 HydrophobicContact CD2-CG 4.49Å; W656-L660 HydrophobicContact CE3-CD1 3.58Å; W656-L660 HydrophobicContact CE3-CG 4.47Å; W656-L660 HydrophobicContact CH2-CD1 3.3Å; W656-L660 HydrophobicContact CZ2-CD1 3.63Å; W656-L660 HydrophobicContact CZ3-CD1 3.26Å; W656-L660 PolarHBondContact O-N 3.36Å |
| 657 | W | 90.7 | Very high | 86.7 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 2% | 0.019 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 176.3 | -69.1 | 116.3 | 0 | 0 | 0 | 112.5 | R624 V627 D653 T659 L660 A661 A672 N675 H677 T678 | R624-W657 HydrophobicContact CB-CZ2 4.05Å; V627-W657 HydrophobicContact CB-CH2 3.97Å; V627-W657 HydrophobicContact CB-CZ3 4.35Å; V627-W657 HydrophobicContact CG1-CH2 4.2Å; V627-W657 HydrophobicContact CG1-CZ3 4.06Å; V627-W657 HydrophobicContact CG2-CH2 3.67Å; V627-W657 HydrophobicContact CG2-CZ3 4.21Å; D653-W657 PolarHBondContact O-N 2.75Å; W657-T659 VanDerWaalsContact C-N 3.28Å; W657-T659 PolarHBondContact O-N 3.38Å; W657-L660 HydrophobicContact CE3-CD1 4.44Å; W657-A661 VanDerWaalsContact O-CB 3.32Å; W657-A661 WeakPolarHBondContact O-CB 3.34Å; W657-A661 PolarHBondContact O-N 2.61Å; W657-A672 HydrophobicContact CE3-CB 4.14Å; W657-N675 HydrophobicContact CH2-CB 3.94Å; W657-N675 WeakPolarHBondContact CH2-ND2 3.49Å; W657-N675 HydrophobicContact CZ3-CB 3.8Å; W657-H677 HydrophobicContact CZ2-CB 3.71Å; W657-T678 HydrophobicContact CB-CG2 4.49Å |
| 658 | S | 86.6 | Confident | 86.8 | Confident | 24 Ų | 24 | 60.4 Ų | 60.4 | 17% | 0.168 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.5 | -33.5 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 112.9 | R654 I655 W656 K662 | R654-S658 WeakPolarHBondContact O-CB 3.14Å; R654-S658 PolarHBondContact O-N 2.74Å; I655-S658 PolarHBondContact O-N 2.91Å; W656-S658 VanDerWaalsContact C-N 3.33Å; W656-S658 PolarHBondContact O-N 3.13Å; S658-K662 WeakPolarHBondContact O-CB 3.36Å; S658-K662 WeakPolarHBondContact O-CD 3.16Å; S658-K662 VanDerWaalsContact O-CG 3.23Å; S658-K662 WeakPolarHBondContact O-CG 3.4Å; S658-K662 PolarHBondContact O-N 2.86Å |
| 659 | T | 88.4 | Confident | 86.9 | Confident | 57 Ų | 57 | 60.6 Ų | 60.6 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -81.7 | -37.5 | -177.4 | -47.3 | 0 | 0 | 0 | 0 | 110.4 | L648 I655 W656 W657 K662 S663 | L648-T659 HydrophobicContact CD1-CG2 4.28Å; L648-T659 VanDerWaalsContact CD2-CB 3.45Å; L648-T659 HydrophobicContact CD2-CG2 3.6Å; L648-T659 HydrophobicContact CG-CG2 4.47Å; I655-T659 WeakPolarHBondContact O-CB 3.48Å; I655-T659 PolarHBondContact O-N 3.38Å; I655-T659 PolarHBondContact O-OG1 3.1Å; W656-T659 PolarHBondContact O-N 3.23Å; W656-T659 VanDerWaalsContact O-N 3.12Å; W657-T659 VanDerWaalsContact C-N 3.28Å; W657-T659 PolarHBondContact O-N 3.38Å; T659-K662 CarbonylContact O-C 3.49Å; T659-K662 PolarHBondContact O-N 3.38Å; T659-S663 PolarHBondContact O-N 3.11Å |
| 660 | L | 90.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.2 | -49.2 | 170.6 | -71.8 | -177.7 | 0 | 0 | 0 | 112.1 | V627 L631 L648 W656 W657 K662 S663 F668 K669 A672 | V627-L660 HydrophobicContact CG1-CD1 4.34Å; L631-L660 HydrophobicContact CD1-CD1 3.85Å; L631-L660 HydrophobicContact CD1-CD2 3.56Å; L631-L660 HydrophobicContact CD1-CG 4.38Å; L648-L660 HydrophobicContact CD1-CD2 4.16Å; W656-L660 HydrophobicContact CD2-CD1 3.92Å; W656-L660 HydrophobicContact CD2-CG 4.49Å; W656-L660 HydrophobicContact CE3-CD1 3.58Å; W656-L660 HydrophobicContact CE3-CG 4.47Å; W656-L660 HydrophobicContact CH2-CD1 3.3Å; W656-L660 HydrophobicContact CZ2-CD1 3.63Å; W656-L660 HydrophobicContact CZ3-CD1 3.26Å; W656-L660 PolarHBondContact O-N 3.36Å; W657-L660 HydrophobicContact CE3-CD1 4.44Å; L660-K662 PolarHBondContact O-N 2.87Å; L660-K662 VanDerWaalsContact O-N 3.15Å; L660-S663 WeakPolarHBondContact O-CB 3.25Å; L660-S663 PolarHBondContact O-N 2.75Å; L660-F668 CarbonylContact C-O 3.49Å; L660-F668 HydrophobicContact CB-CB 4.5Å; L660-F668 HydrophobicContact CD2-CB 3.73Å; L660-F668 HydrophobicContact CD2-CD1 4.25Å; L660-F668 HydrophobicContact CD2-CD2 3.26Å; L660-F668 HydrophobicContact CD2-CE2 3.88Å; L660-F668 HydrophobicContact CD2-CG 3.48Å; L660-F668 VanDerWaalsContact CD2-CG 3.48Å; L660-F668 CarbonylContact O-C 3.57Å; L660-K669 WeakPolarHBondContact O-CA 2.92Å; L660-K669 PolarHBondContact O-N 2.69Å; L660-A672 HydrophobicContact CB-CB 3.75Å |
| 661 | A | 85.7 | Confident | 86.7 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | W657 K669 A672 L673 V682 | W657-A661 VanDerWaalsContact O-CB 3.32Å; W657-A661 WeakPolarHBondContact O-CB 3.34Å; W657-A661 PolarHBondContact O-N 2.61Å; A661-K669 WeakPolarHBondContact O-CE 3.37Å; A661-K669 WeakPolarHBondContact O-CG 3.26Å; A661-A672 HydrophobicContact CB-CB 3.75Å; A661-L673 HydrophobicContact CB-CD2 4.23Å; A661-V682 HydrophobicContact CB-CG1 3.21Å |
| 662 | K | 84.1 | Confident | 86.6 | Confident | 141 Ų | 141 | 48.2 Ų | 48.2 | 61% | 0.613 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -0.1 | 175.2 | -70.9 | 176.7 | -179.1 | 176.1 | 0 | 112.9 | S658 T659 L660 | S658-K662 WeakPolarHBondContact O-CB 3.36Å; S658-K662 WeakPolarHBondContact O-CD 3.16Å; S658-K662 VanDerWaalsContact O-CG 3.23Å; S658-K662 WeakPolarHBondContact O-CG 3.4Å; S658-K662 PolarHBondContact O-N 2.86Å; T659-K662 CarbonylContact O-C 3.49Å; T659-K662 PolarHBondContact O-N 3.38Å; L660-K662 PolarHBondContact O-N 2.87Å; L660-K662 VanDerWaalsContact O-N 3.15Å |
| 663 | S | 85.4 | Confident | 86.6 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | trans | -70.9 | 146.8 | 179.1 | -173.8 | 0 | 0 | 0 | 0 | 110.1 | T659 L660 L665 F668 | T659-S663 PolarHBondContact O-N 3.11Å; L660-S663 WeakPolarHBondContact O-CB 3.25Å; L660-S663 PolarHBondContact O-N 2.75Å; S663-L665 PolarHBondContact OG-N 3.37Å; S663-L665 VanDerWaalsContact OG-N 3.15Å; S663-F668 WeakPolarHBondContact OG-CD2 3.35Å | ||
| 664 | N | 81 | Confident | 86.5 | Confident | 146 Ų | 146 | 41.3 Ų | 41.3 | 78% | 0.781 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -79.5 | -10 | 170.8 | -63.8 | -6.5 | 0 | 0 | 0 | 111.7 | T666 | N664-T666 PolarHBondContact O-N 2.85Š|
| 665 | L | 85.6 | Confident | 86.6 | Confident | 44 Ų | 44 | 32.2 Ų | 32.2 | 23% | 0.23 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -76.6 | 117.4 | 175.9 | -65 | 174.7 | 0 | 0 | 0 | 110.2 | Y635 A641 S663 F667 F668 K669 | Y635-L665 HydrophobicContact CE1-CD2 4.4Å; A641-L665 HydrophobicContact CB-CD1 3.82Å; S663-L665 PolarHBondContact OG-N 3.37Å; S663-L665 VanDerWaalsContact OG-N 3.15Å; L665-F667 VanDerWaalsContact C-N 3.33Å; L665-F667 PolarHBondContact O-N 3.23Å; L665-F668 HydrophobicContact CB-CB 4.03Å; L665-F668 HydrophobicContact CB-CD1 4.05Å; L665-F668 HydrophobicContact CB-CD2 4.44Å; L665-F668 HydrophobicContact CB-CG 3.93Å; L665-F668 HydrophobicContact CD1-CD1 4.07Å; L665-F668 HydrophobicContact CD1-CD2 4.08Å; L665-F668 HydrophobicContact CD1-CE1 3.89Å; L665-F668 HydrophobicContact CD1-CE2 3.9Å; L665-F668 HydrophobicContact CD1-CG 4.18Å; L665-F668 HydrophobicContact CD1-CZ 3.79Å; L665-F668 WeakPolarHBondContact O-CB 3.42Å; L665-F668 PolarHBondContact O-N 3.42Å; L665-K669 PolarHBondContact O-N 3.16Å |
| 666 | T | 81.9 | Confident | 86.5 | Confident | 36 Ų | 36 | 33.5 Ų | 33.5 | 22% | 0.221 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -47.2 | -48.1 | -173.9 | -52.7 | 0 | 0 | 0 | 0 | 113.4 | N664 K669 F670 W691 | N664-T666 PolarHBondContact O-N 2.85Å; T666-K669 PolarHBondContact O-N 3.44Å; T666-F670 VanDerWaalsContact O-CB 3.24Å; T666-F670 WeakPolarHBondContact O-CB 3.32Å; T666-F670 PolarHBondContact O-N 3.26Å; T666-W691 HydrophobicContact CG2-CH2 3.52Å; T666-W691 HydrophobicContact CG2-CZ2 3.73Å; T666-W691 WeakPolarHBondContact O-CH2 3.38Å |
| 667 | F | 85.8 | Confident | 86.3 | Confident | 46 Ų | 46 | 37.5 Ų | 37.5 | 20% | 0.202 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -80.2 | -22.3 | -178.2 | -74.5 | -85.2 | 0 | 0 | 0 | 114 | K614 L617 L631 Y634 Y635 L665 G671 | K614-F667 HydrophobicContact CG-CE1 4.16Å; L617-F667 HydrophobicContact CD1-CB 4.15Å; L617-F667 HydrophobicContact CD1-CD1 3.9Å; L617-F667 HydrophobicContact CD1-CG 4.39Å; L631-F667 HydrophobicContact CD2-CB 4.22Å; Y634-F667 HydrophobicContact CD1-CB 4.07Å; Y634-F667 AromaticContact CD1-CD2 3.76Å; Y634-F667 HydrophobicContact CD1-CD2 3.76Å; Y634-F667 HydrophobicContact CD1-CE2 4.37Å; Y634-F667 AromaticContact CD1-CG 3.89Å; Y634-F667 HydrophobicContact CD1-CG 3.89Å; Y634-F667 HydrophobicContact CE1-CB 4.22Å; Y634-F667 HydrophobicContact CE1-CD1 4.38Å; Y634-F667 AromaticContact CE1-CD2 3.04Å; Y634-F667 HydrophobicContact CE1-CD2 3.04Å; Y634-F667 AromaticContact CE1-CE2 3.33Å; Y634-F667 HydrophobicContact CE1-CE2 3.33Å; Y634-F667 AromaticContact CE1-CG 3.63Å; Y634-F667 HydrophobicContact CE1-CG 3.63Å; Y634-F667 HydrophobicContact CE1-CZ 4.12Å; Y634-F667 HydrophobicContact CE2-CD2 4.47Å; Y634-F667 HydrophobicContact CE2-CE2 4.19Å; Y634-F667 HydrophobicContact CE2-CZ 4.21Å; Y634-F667 AromaticContact CZ-CD2 3.49Å; Y634-F667 VanDerWaalsContact CZ-CD2 3.49Å; Y634-F667 AromaticContact CZ-CE2 3.22Å; Y634-F667 AromaticContact CZ-CZ 3.65Å; Y634-F667 WeakPolarHBondContact OH-CE2 3.33Å; Y634-F667 WeakPolarHBondContact OH-CZ 3.25Å; Y635-F667 HydrophobicContact CE2-CB 3.85Å; Y635-F667 PolarHBondContact OH-N 3.06Å; L665-F667 VanDerWaalsContact C-N 3.33Å; L665-F667 PolarHBondContact O-N 3.23Å; F667-G671 PolarHBondContact O-N 2.74Å |
| 668 | F | 90.6 | Very high | 86.1 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.1 | -48.1 | 167.9 | -79.2 | 32.6 | 0 | 0 | 0 | 109.1 | L631 Y635 A641 Q644 L645 L648 L660 S663 L665 A672 | L631-F668 HydrophobicContact CB-CE1 4.3Å; L631-F668 HydrophobicContact CD1-CD1 3.9Å; L631-F668 HydrophobicContact CD1-CE1 4.13Å; L631-F668 HydrophobicContact CD1-CG 4.32Å; L631-F668 HydrophobicContact CD2-CD1 3.65Å; L631-F668 HydrophobicContact CD2-CE1 4.08Å; L631-F668 HydrophobicContact CG-CD1 4.28Å; L631-F668 HydrophobicContact CG-CE1 4.4Å; Y635-F668 HydrophobicContact CD2-CD1 4.06Å; Y635-F668 AromaticContact CD2-CE1 3.57Å; Y635-F668 HydrophobicContact CD2-CE1 3.57Å; Y635-F668 AromaticContact CE2-CD1 3.54Å; Y635-F668 HydrophobicContact CE2-CD1 3.54Å; Y635-F668 AromaticContact CE2-CE1 3.54Å; Y635-F668 HydrophobicContact CE2-CE1 3.54Å; Y635-F668 HydrophobicContact CG-CE1 4.4Å; A641-F668 HydrophobicContact CB-CE1 4.42Å; A641-F668 HydrophobicContact CB-CZ 4.24Å; Q644-F668 HydrophobicContact CB-CE2 4.28Å; L645-F668 HydrophobicContact CD1-CE1 4.05Å; L645-F668 HydrophobicContact CD1-CZ 3.82Å; L645-F668 HydrophobicContact CD2-CE1 4.49Å; L645-F668 HydrophobicContact CD2-CE2 4.48Å; L645-F668 HydrophobicContact CD2-CZ 4.04Å; L645-F668 HydrophobicContact CG-CE1 4.24Å; L645-F668 HydrophobicContact CG-CE2 4.29Å; L645-F668 HydrophobicContact CG-CZ 3.6Å; L648-F668 HydrophobicContact CD1-CE2 4.42Å; L660-F668 CarbonylContact C-O 3.49Å; L660-F668 HydrophobicContact CB-CB 4.5Å; L660-F668 HydrophobicContact CD2-CB 3.73Å; L660-F668 HydrophobicContact CD2-CD1 4.25Å; L660-F668 HydrophobicContact CD2-CD2 3.26Å; L660-F668 HydrophobicContact CD2-CE2 3.88Å; L660-F668 HydrophobicContact CD2-CG 3.48Å; L660-F668 VanDerWaalsContact CD2-CG 3.48Å; L660-F668 CarbonylContact O-C 3.57Å; S663-F668 WeakPolarHBondContact OG-CD2 3.35Å; L665-F668 HydrophobicContact CB-CB 4.03Å; L665-F668 HydrophobicContact CB-CD1 4.05Å; L665-F668 HydrophobicContact CB-CD2 4.44Å; L665-F668 HydrophobicContact CB-CG 3.93Å; L665-F668 HydrophobicContact CD1-CD1 4.07Å; L665-F668 HydrophobicContact CD1-CD2 4.08Å; L665-F668 HydrophobicContact CD1-CE1 3.89Å; L665-F668 HydrophobicContact CD1-CE2 3.9Å; L665-F668 HydrophobicContact CD1-CG 4.18Å; L665-F668 HydrophobicContact CD1-CZ 3.79Å; L665-F668 WeakPolarHBondContact O-CB 3.42Å; L665-F668 PolarHBondContact O-N 3.42Å; F668-A672 WeakPolarHBondContact O-CB 3.42Å; F668-A672 PolarHBondContact O-N 3.26Å |
| 669 | K | 89 | Confident | 86.1 | Confident | 16 Ų | 16 | 37.3 Ų | 37.3 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.5 | -49.6 | 179.1 | -132.7 | -171.3 | -156.5 | -166.9 | 0 | 111.2 | L660 A661 L665 T666 A672 L673 E686 D688 W691 | L660-K669 WeakPolarHBondContact O-CA 2.92Å; L660-K669 PolarHBondContact O-N 2.69Å; A661-K669 WeakPolarHBondContact O-CE 3.37Å; A661-K669 WeakPolarHBondContact O-CG 3.26Å; L665-K669 PolarHBondContact O-N 3.16Å; T666-K669 PolarHBondContact O-N 3.44Å; K669-A672 PolarHBondContact O-N 3.08Å; K669-L673 HydrophobicContact CD-CD1 4.23Å; K669-L673 HydrophobicContact CG-CD1 4.04Å; K669-L673 HydrophobicContact CG-CG 4.46Å; K669-L673 WeakPolarHBondContact O-CB 3.24Å; K669-L673 WeakPolarHBondContact O-CG 3.28Å; K669-L673 PolarHBondContact O-N 2.71Å; K669-E686 WeakPolarHBondContact CE-OE2 3.27Å; K669-E686 VanDerWaalsContact NZ-CD 3.33Å; K669-E686 IonicContact NZ-OE1 3.53Å; K669-E686 PolarHBondContact NZ-OE1 3.35Å; K669-E686 IonicContact NZ-OE2 3.66Å; K669-E686 PolarHBondContact NZ-OE2 2.88Å; K669-D688 IonicContact NZ-OD2 3.04Å; K669-W691 HydrophobicContact CB-CD2 4.36Å; K669-W691 HydrophobicContact CB-CE3 4.38Å; K669-W691 HydrophobicContact CB-CH2 4.27Å; K669-W691 HydrophobicContact CB-CZ2 4.26Å; K669-W691 HydrophobicContact CB-CZ3 4.33Å; K669-W691 HydrophobicContact CD-CB 4.38Å; K669-W691 HydrophobicContact CD-CD2 3.74Å; K669-W691 HydrophobicContact CD-CE3 4.45Å; K669-W691 HydrophobicContact CD-CG 3.67Å; K669-W691 HydrophobicContact CG-CD2 4.46Å |
| 670 | F | 84.6 | Confident | 85.8 | Confident | 46 Ų | 46 | 37.3 Ų | 37.3 | 20% | 0.202 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.8 | -50.8 | 178.3 | -174.7 | -93.2 | 0 | 0 | 0 | 112.1 | R618 T666 A672 L673 N674 W691 V694 | R618-F670 HydrophobicContact CB-CE1 4.4Å; R618-F670 HydrophobicContact CG-CE1 3.64Å; R618-F670 HydrophobicContact CG-CZ 3.93Å; T666-F670 VanDerWaalsContact O-CB 3.24Å; T666-F670 WeakPolarHBondContact O-CB 3.32Å; T666-F670 PolarHBondContact O-N 3.26Å; F670-A672 PolarHBondContact O-N 2.98Å; F670-A672 VanDerWaalsContact O-N 3.17Å; F670-L673 PolarHBondContact O-N 3.1Å; F670-N674 HydrophobicContact CE1-CB 4.48Å; F670-N674 HydrophobicContact CZ-CB 4.49Å; F670-N674 WeakPolarHBondContact O-CB 3.23Å; F670-N674 PolarHBondContact O-N 2.72Å; F670-W691 HydrophobicContact CB-CH2 4.06Å; F670-W691 HydrophobicContact CB-CZ3 3.74Å; F670-W691 HydrophobicContact CD2-CZ3 4.1Å; F670-W691 HydrophobicContact CG-CZ3 4.44Å; F670-V694 HydrophobicContact CD2-CG1 3.96Å; F670-V694 HydrophobicContact CD2-CG2 4.36Å; F670-V694 HydrophobicContact CE2-CG1 4.11Å; F670-V694 HydrophobicContact CE2-CG2 4.48Å |
| 671 | G | 82.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.2 | -25.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F667 N675 | F667-G671 PolarHBondContact O-N 2.74Å; G671-N675 WeakPolarHBondContact O-CB 3.5Å |
| 672 | A | 88.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -85.4 | -50.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | W657 L660 A661 F668 K669 F670 N674 N675 T678 | W657-A672 HydrophobicContact CE3-CB 4.14Å; L660-A672 HydrophobicContact CB-CB 3.75Å; A661-A672 HydrophobicContact CB-CB 3.75Å; F668-A672 WeakPolarHBondContact O-CB 3.42Å; F668-A672 PolarHBondContact O-N 3.26Å; K669-A672 PolarHBondContact O-N 3.08Å; F670-A672 PolarHBondContact O-N 2.98Å; F670-A672 VanDerWaalsContact O-N 3.17Å; A672-N674 VanDerWaalsContact C-N 3.28Å; A672-N674 PolarHBondContact O-N 3.04Å; A672-N675 PolarHBondContact O-N 2.57Å; A672-N675 VanDerWaalsContact O-N 3.16Å; A672-T678 WeakPolarHBondContact O-CB 3.22Å; A672-T678 PolarHBondContact O-OG1 2.93Å |
| 673 | L | 87.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.7 | -29.7 | -173.7 | -67.9 | 177.4 | 0 | 0 | 0 | 112.9 | A661 K669 F670 L683 E686 W691 V694 A695 N698 | A661-L673 HydrophobicContact CB-CD2 4.23Å; K669-L673 HydrophobicContact CD-CD1 4.23Å; K669-L673 HydrophobicContact CG-CD1 4.04Å; K669-L673 HydrophobicContact CG-CG 4.46Å; K669-L673 WeakPolarHBondContact O-CB 3.24Å; K669-L673 WeakPolarHBondContact O-CG 3.28Å; K669-L673 PolarHBondContact O-N 2.71Å; F670-L673 PolarHBondContact O-N 3.1Å; L673-L683 HydrophobicContact CD2-CD2 3.95Å; L673-L683 WeakPolarHBondContact O-CD2 3.1Å; L673-E686 HydrophobicContact CD1-CG 4.08Å; L673-E686 HydrophobicContact CD2-CB 4.22Å; L673-E686 HydrophobicContact CD2-CG 4.28Å; L673-W691 HydrophobicContact CD1-CB 3.66Å; L673-W691 HydrophobicContact CD1-CD2 4.18Å; L673-W691 HydrophobicContact CD1-CE3 3.82Å; L673-W691 HydrophobicContact CD1-CG 4.16Å; L673-V694 HydrophobicContact CB-CB 4.42Å; L673-V694 HydrophobicContact CB-CG1 3.87Å; L673-A695 HydrophobicContact CD2-CB 4.16Å; L673-N698 WeakPolarHBondContact O-CB 3.22Å; L673-N698 PolarHBondContact O-ND2 2.79Å |
| 674 | N | 82.5 | Confident | 84.8 | Confident | 20 Ų | 20 | 35.4 Ų | 35.4 | 11% | 0.107 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -17.5 | 176.6 | -154.3 | 37.4 | 0 | 0 | 0 | 113.6 | R618 F670 A672 V694 | R618-N674 PolarHBondContact O-ND2 2.99Å; F670-N674 HydrophobicContact CE1-CB 4.48Å; F670-N674 HydrophobicContact CZ-CB 4.49Å; F670-N674 WeakPolarHBondContact O-CB 3.23Å; F670-N674 PolarHBondContact O-N 2.72Å; A672-N674 VanDerWaalsContact C-N 3.28Å; A672-N674 PolarHBondContact O-N 3.04Å; N674-V694 HydrophobicContact CB-CG1 4.24Å |
| 675 | N | 87.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.011 | 18% | 0.179 | C | C | . | . | trans | -88 | 130.2 | -171.1 | -167.3 | -64 | 0 | 0 | 0 | 113.1 | E620 S622 W657 G671 A672 H677 T678 N698 | E620-N675 PolarHBondContact O-OD1 3.12Å; S622-N675 PolarHBondContact O-ND2 3.37Å; S622-N675 PolarHBondContact O-OD1 3.03Å; W657-N675 HydrophobicContact CH2-CB 3.94Å; W657-N675 WeakPolarHBondContact CH2-ND2 3.49Å; W657-N675 HydrophobicContact CZ3-CB 3.8Å; G671-N675 WeakPolarHBondContact O-CB 3.5Å; A672-N675 PolarHBondContact O-N 2.57Å; A672-N675 VanDerWaalsContact O-N 3.16Å; N675-H677 PolarHBondContact O-N 3.49Å; N675-H677 VanDerWaalsContact O-N 3.13Å; N675-H677 VanDerWaalsContact OD1-CB 3.27Å; N675-H677 WeakPolarHBondContact OD1-CB 3.5Å; N675-H677 PolarHBondContact OD1-CD2 2.96Å; N675-H677 VanDerWaalsContact OD1-CD2 3.26Å; N675-H677 PolarHBondContact OD1-N 3.35Å; N675-T678 WeakPolarHBondContact O-CB 3.31Å; N675-T678 PolarHBondContact O-N 3.48Å; N675-T678 PolarHBondContact O-OG1 3.17Å; N675-N698 VanDerWaalsContact C-ND2 3.31Å; N675-N698 PolarHBondContact N-ND2 2.9Å; N675-N698 PolarHBondContact O-ND2 3.03Å | ||
| 676 | R | 85.6 | Confident | 84.1 | Confident | 103 Ų | 103 | 29.6 Ų | 29.6 | 39% | 0.389 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -19 | -177.4 | 92 | -177.5 | -80.3 | -169.4 | -0.3 | 113.5 | E620 N621 T678 R700 | E620-R676 WeakPolarHBondContact O-CB 3.2Å; E620-R676 PolarHBondContact O-N 3.23Å; N621-R676 WeakPolarHBondContact OD1-CD 3.35Å; N621-R676 PolarHBondContact OD1-NH1 2.85Å; R676-T678 VanDerWaalsContact C-N 3.26Å; R676-R700 HydrophobicContact CB-CG 4.35Å; R676-R700 WeakPolarHBondContact O-CD 3.16Å; R676-R700 PolarHBondContact O-NE 3.39Å |
| 677 | H | 87.6 | Confident | 83.3 | Confident | 84 Ų | 84 | 33.5 Ų | 33.5 | 39% | 0.389 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -14 | 177.8 | -64.5 | -71.6 | 0 | 0 | 0 | 112.5 | S622 W657 N675 | S622-H677 PolarHBondContact O-CD2 2.88Å; S622-H677 VanDerWaalsContact O-CD2 3.31Å; W657-H677 HydrophobicContact CZ2-CB 3.71Å; N675-H677 PolarHBondContact O-N 3.49Å; N675-H677 VanDerWaalsContact O-N 3.13Å; N675-H677 VanDerWaalsContact OD1-CB 3.27Å; N675-H677 WeakPolarHBondContact OD1-CB 3.5Å; N675-H677 PolarHBondContact OD1-CD2 2.96Å; N675-H677 VanDerWaalsContact OD1-CD2 3.26Å; N675-H677 PolarHBondContact OD1-N 3.35Å |
| 678 | T | 87.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -63.2 | 128.5 | 174.6 | -64.2 | 0 | 0 | 0 | 0 | 110.2 | W657 A672 N675 R676 V682 L683 | W657-T678 HydrophobicContact CB-CG2 4.49Å; A672-T678 WeakPolarHBondContact O-CB 3.22Å; A672-T678 PolarHBondContact O-OG1 2.93Å; N675-T678 WeakPolarHBondContact O-CB 3.31Å; N675-T678 PolarHBondContact O-N 3.48Å; N675-T678 PolarHBondContact O-OG1 3.17Å; R676-T678 VanDerWaalsContact C-N 3.26Å; T678-V682 HydrophobicContact CG2-CB 4Å; T678-V682 HydrophobicContact CG2-CG1 3.9Å; T678-L683 HydrophobicContact CG2-CD2 3.94Å; T678-L683 HydrophobicContact CG2-CG 4.02Å |
| 679 | P | 85.1 | Confident | 81.2 | Confident | 25 Ų | 25 | 38.6 Ų | 38.6 | 16% | 0.162 | 22% | 0.223 | C | C | . | . | trans | -56.8 | 134.8 | -178.2 | -24.3 | 31.8 | 0 | 0 | 0 | 110.9 | R654 A681 V682 L683 | R654-P679 HydrophobicContact CG-CG 4.26Å; P679-A681 PolarHBondContact O-N 3.43Å; P679-V682 HydrophobicContact CB-CB 4.44Å; P679-V682 HydrophobicContact CB-CG2 3.98Å; P679-V682 HydrophobicContact CG-CG2 4.06Å; P679-V682 WeakPolarHBondContact O-CA 3.13Å; P679-V682 WeakPolarHBondContact O-CB 3.22Å; P679-V682 PolarHBondContact O-N 3.38Å; P679-L683 PolarHBondContact O-N 3.35Å | ||
| 680 | P | 82.3 | Confident | 80.1 | Confident | 58 Ų | 58 | 39.8 Ų | 39.8 | 38% | 0.377 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -55.4 | -29.8 | 178.5 | -24.8 | 31.3 | 0 | 0 | 0 | 113.3 | V682 L683 A684 P702 | P680-V682 VanDerWaalsContact C-N 3.3Å; P680-V682 PolarHBondContact O-N 3.25Å; P680-L683 PolarHBondContact O-N 2.73Å; P680-A684 WeakPolarHBondContact O-CB 3.39Å; P680-A684 PolarHBondContact O-N 2.68Å; P680-P702 HydrophobicContact CB-CG 4.01Å |
| 681 | A | 82.8 | Confident | 79.8 | Confident | 67 Ų | 67 | 38.7 Ų | 38.7 | 55% | 0.554 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -67.4 | -27.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P679 A685 | P679-A681 PolarHBondContact O-N 3.43Å; A681-A685 VanDerWaalsContact O-CB 3.25Å; A681-A685 WeakPolarHBondContact O-CB 3.21Å; A681-A685 PolarHBondContact O-N 3.18Å |
| 682 | V | 82.9 | Confident | 79.3 | Confident | 18 Ų | 18 | 39.1 Ų | 39.1 | 11% | 0.109 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -78.5 | -45.9 | 175.5 | 174.4 | 0 | 0 | 0 | 0 | 109.5 | A661 T678 P679 P680 A684 A685 E686 | A661-V682 HydrophobicContact CB-CG1 3.21Å; T678-V682 HydrophobicContact CG2-CB 4Å; T678-V682 HydrophobicContact CG2-CG1 3.9Å; P679-V682 HydrophobicContact CB-CB 4.44Å; P679-V682 HydrophobicContact CB-CG2 3.98Å; P679-V682 HydrophobicContact CG-CG2 4.06Å; P679-V682 WeakPolarHBondContact O-CA 3.13Å; P679-V682 WeakPolarHBondContact O-CB 3.22Å; P679-V682 PolarHBondContact O-N 3.38Å; P680-V682 VanDerWaalsContact C-N 3.3Å; P680-V682 PolarHBondContact O-N 3.25Å; V682-A684 VanDerWaalsContact C-N 3.28Å; V682-A684 PolarHBondContact O-N 3.43Å; V682-A685 WeakPolarHBondContact O-CB 3.2Å; V682-A685 PolarHBondContact O-N 3.49Å; V682-E686 PolarHBondContact O-N 2.7Å |
| 683 | L | 82.2 | Confident | 78.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.5 | -44.1 | 173 | -63 | 172.3 | 0 | 0 | 0 | 111.5 | L673 T678 P679 P680 A685 E686 W692 N698 R700 F701 | L673-L683 HydrophobicContact CD2-CD2 3.95Å; L673-L683 WeakPolarHBondContact O-CD2 3.1Å; T678-L683 HydrophobicContact CG2-CD2 3.94Å; T678-L683 HydrophobicContact CG2-CG 4.02Å; P679-L683 PolarHBondContact O-N 3.35Å; P680-L683 PolarHBondContact O-N 2.73Å; L683-A685 PolarHBondContact O-N 2.99Å; L683-E686 WeakPolarHBondContact O-CB 3.29Å; L683-E686 PolarHBondContact O-N 3.33Å; L683-W692 WeakPolarHBondContact O-CZ3 3.28Å; L683-N698 HydrophobicContact CD1-CB 3.91Å; L683-N698 HydrophobicContact CD2-CB 4.15Å; L683-R700 HydrophobicContact CD1-CB 4.14Å; L683-F701 HydrophobicContact CB-CD2 4.04Å |
| 684 | A | 78.1 | Confident | 77.4 | Confident | 32 Ų | 32 | 45.1 Ų | 45.1 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -23.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P680 V682 P702 V705 | P680-A684 WeakPolarHBondContact O-CB 3.39Å; P680-A684 PolarHBondContact O-N 2.68Å; V682-A684 VanDerWaalsContact C-N 3.28Å; V682-A684 PolarHBondContact O-N 3.43Å; A684-P702 HydrophobicContact CB-CG 4.23Å; A684-V705 HydrophobicContact CB-CB 4.4Å; A684-V705 HydrophobicContact CB-CG1 4.26Å; A684-V705 HydrophobicContact CB-CG2 3.54Å |
| 685 | A | 78.3 | Confident | 77.3 | Confident | 56 Ų | 56 | 44.2 Ų | 44.2 | 46% | 0.463 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -6.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A681 V682 L683 I687 | A681-A685 VanDerWaalsContact O-CB 3.25Å; A681-A685 WeakPolarHBondContact O-CB 3.21Å; A681-A685 PolarHBondContact O-N 3.18Å; V682-A685 WeakPolarHBondContact O-CB 3.2Å; V682-A685 PolarHBondContact O-N 3.49Å; L683-A685 PolarHBondContact O-N 2.99Å; A685-I687 PolarHBondContact O-N 2.75Å |
| 686 | E | 72.2 | Confident | 76.6 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | trans | -63 | 128.7 | 169.4 | -168.8 | 54 | -107.8 | 0 | 0 | 108.3 | K669 L673 V682 L683 D688 W691 W692 A695 | K669-E686 WeakPolarHBondContact CE-OE2 3.27Å; K669-E686 VanDerWaalsContact NZ-CD 3.33Å; K669-E686 IonicContact NZ-OE1 3.53Å; K669-E686 PolarHBondContact NZ-OE1 3.35Å; K669-E686 IonicContact NZ-OE2 3.66Å; K669-E686 PolarHBondContact NZ-OE2 2.88Å; L673-E686 HydrophobicContact CD1-CG 4.08Å; L673-E686 HydrophobicContact CD2-CB 4.22Å; L673-E686 HydrophobicContact CD2-CG 4.28Å; V682-E686 PolarHBondContact O-N 2.7Å; L683-E686 WeakPolarHBondContact O-CB 3.29Å; L683-E686 PolarHBondContact O-N 3.33Å; E686-D688 VanDerWaalsContact OE1-CB 3.3Å; E686-D688 WeakPolarHBondContact OE1-CB 3.37Å; E686-D688 PolarHBondContact OE1-N 3.44Å; E686-W691 HydrophobicContact CG-CB 3.94Å; E686-W692 HydrophobicContact CB-CE3 3.96Å; E686-W692 HydrophobicContact CB-CZ3 3.98Å; E686-W692 HydrophobicContact CG-CE3 4.32Å; E686-W692 VanDerWaalsContact O-CE3 3.3Å; E686-W692 WeakPolarHBondContact O-CZ3 3.32Å; E686-A695 HydrophobicContact CB-CB 4.29Å; E686-A695 HydrophobicContact CG-CB 4.46Å | ||
| 687 | I | 66.4 | Low | 75.7 | Confident | 117 Ų | 117 | 47 Ų | 47 | 60% | 0.6 | 27% | 0.274 | S | S | * | . | trans | -127.5 | -10.4 | -173.9 | 49.2 | 172.8 | 0 | 0 | 0 | 111.5 | A685 | A685-I687 PolarHBondContact O-N 2.75Š| ||
| 688 | D | 69.5 | Low | 75 | Confident | 61 Ų | 61 | 43.1 Ų | 43.1 | 33% | 0.326 | 26% | 0.256 | S | S | . | . | trans | -75.6 | 120.4 | -179.9 | -133.6 | -20.9 | 0 | 0 | 0 | 109.5 | K669 E686 E690 W691 W692 | K669-D688 IonicContact NZ-OD2 3.04Å; E686-D688 VanDerWaalsContact OE1-CB 3.3Å; E686-D688 WeakPolarHBondContact OE1-CB 3.37Å; E686-D688 PolarHBondContact OE1-N 3.44Å; D688-E690 PolarHBondContact O-N 3.05Å; D688-E690 VanDerWaalsContact O-N 3.15Å; D688-W691 HydrophobicContact CB-CB 4.48Å; D688-W691 PolarHBondContact O-N 3.28Å; D688-W691 VanDerWaalsContact O-N 3.16Å; D688-W692 PolarHBondContact O-N 3.41Å | ||
| 689 | P | 61.7 | Low | 74.2 | Confident | 94 Ų | 94 | 47 Ų | 47 | 61% | 0.61 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -55.5 | -33.7 | -176.1 | -24.3 | 32.9 | 0 | 0 | 0 | 113.3 | ||
| 690 | E | 65.9 | Low | 74 | Confident | 41 Ų | 41 | 51.5 Ų | 51.5 | 19% | 0.192 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | -179.8 | -69.2 | 169.6 | -172.2 | 0 | 0 | 113 | K31 D688 | K31-E690 VanDerWaalsContact CD-OE1 3.25Å; K31-E690 WeakPolarHBondContact CD-OE1 3.45Å; K31-E690 WeakPolarHBondContact CE-OE1 3.43Å; K31-E690 VanDerWaalsContact NZ-CD 3.25Å; K31-E690 IonicContact NZ-OE1 3.66Å; K31-E690 PolarHBondContact NZ-OE1 3.09Å; D688-E690 PolarHBondContact O-N 3.05Å; D688-E690 VanDerWaalsContact O-N 3.15Å |
| 691 | W | 77.5 | Confident | 73.7 | Confident | 23 Ų | 23 | 49.6 Ų | 49.6 | 9% | 0.087 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -92.2 | -8.5 | -175.1 | -71.6 | 98.5 | 0 | 0 | 0 | 113.3 | T666 K669 F670 L673 E686 D688 I693 V694 A695 | T666-W691 HydrophobicContact CG2-CH2 3.52Å; T666-W691 HydrophobicContact CG2-CZ2 3.73Å; T666-W691 WeakPolarHBondContact O-CH2 3.38Å; K669-W691 HydrophobicContact CB-CD2 4.36Å; K669-W691 HydrophobicContact CB-CE3 4.38Å; K669-W691 HydrophobicContact CB-CH2 4.27Å; K669-W691 HydrophobicContact CB-CZ2 4.26Å; K669-W691 HydrophobicContact CB-CZ3 4.33Å; K669-W691 HydrophobicContact CD-CB 4.38Å; K669-W691 HydrophobicContact CD-CD2 3.74Å; K669-W691 HydrophobicContact CD-CE3 4.45Å; K669-W691 HydrophobicContact CD-CG 3.67Å; K669-W691 HydrophobicContact CG-CD2 4.46Å; F670-W691 HydrophobicContact CB-CH2 4.06Å; F670-W691 HydrophobicContact CB-CZ3 3.74Å; F670-W691 HydrophobicContact CD2-CZ3 4.1Å; F670-W691 HydrophobicContact CG-CZ3 4.44Å; L673-W691 HydrophobicContact CD1-CB 3.66Å; L673-W691 HydrophobicContact CD1-CD2 4.18Å; L673-W691 HydrophobicContact CD1-CE3 3.82Å; L673-W691 HydrophobicContact CD1-CG 4.16Å; E686-W691 HydrophobicContact CG-CB 3.94Å; D688-W691 HydrophobicContact CB-CB 4.48Å; D688-W691 PolarHBondContact O-N 3.28Å; D688-W691 VanDerWaalsContact O-N 3.16Å; W691-I693 VanDerWaalsContact C-N 3.31Å; W691-I693 PolarHBondContact O-N 3Å; W691-V694 HydrophobicContact CE3-CB 4.34Å; W691-V694 HydrophobicContact CE3-CG2 4.09Å; W691-V694 HydrophobicContact CZ3-CG2 4.35Å; W691-V694 PolarHBondContact O-N 2.69Å; W691-A695 PolarHBondContact O-N 2.89Å |
| 692 | W | 74.2 | Confident | 73.3 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -35.6 | -177 | -164 | -121.6 | 0 | 0 | 0 | 112.4 | L683 E686 D688 A695 M696 F701 V705 R709 | L683-W692 WeakPolarHBondContact O-CZ3 3.28Å; E686-W692 HydrophobicContact CB-CE3 3.96Å; E686-W692 HydrophobicContact CB-CZ3 3.98Å; E686-W692 HydrophobicContact CG-CE3 4.32Å; E686-W692 VanDerWaalsContact O-CE3 3.3Å; E686-W692 WeakPolarHBondContact O-CZ3 3.32Å; D688-W692 PolarHBondContact O-N 3.41Å; W692-A695 HydrophobicContact CE3-CB 4.19Å; W692-A695 PolarHBondContact O-N 2.82Å; W692-M696 HydrophobicContact CB-CE 4.49Å; W692-M696 VanDerWaalsContact CD1-CE 3.41Å; W692-M696 VanDerWaalsContact CD1-SD 3.53Å; W692-M696 HydrophobicContact CD2-CG 4.5Å; W692-M696 HydrophobicContact CG-CE 4.11Å; W692-M696 HydrophobicContact CG-CG 4.41Å; W692-M696 HydrophobicContact CG-SD 4.4Å; W692-M696 PolarHBondContact NE1-SD 3.02Å; W692-M696 VanDerWaalsContact O-CB 3.32Å; W692-M696 WeakPolarHBondContact O-CB 3.29Å; W692-M696 WeakPolarHBondContact O-CG 2.86Å; W692-M696 PolarHBondContact O-N 3.37Å; W692-F701 HydrophobicContact CD2-CZ 4.31Å; W692-F701 AromaticContact CE2-CZ 3.83Å; W692-F701 HydrophobicContact CE3-CE2 4.19Å; W692-F701 HydrophobicContact CE3-CZ 4.25Å; W692-F701 AromaticContact CH2-CE2 3.8Å; W692-F701 HydrophobicContact CH2-CE2 3.8Å; W692-F701 AromaticContact CH2-CZ 3.4Å; W692-F701 HydrophobicContact CH2-CZ 3.4Å; W692-F701 HydrophobicContact CZ2-CE1 4.33Å; W692-F701 HydrophobicContact CZ2-CE2 4.22Å; W692-F701 AromaticContact CZ2-CZ 3.42Å; W692-F701 HydrophobicContact CZ2-CZ 3.42Å; W692-F701 VanDerWaalsContact CZ2-CZ 3.42Å; W692-F701 AromaticContact CZ3-CE2 3.72Å; W692-F701 HydrophobicContact CZ3-CE2 3.72Å; W692-F701 AromaticContact CZ3-CZ 3.78Å; W692-F701 HydrophobicContact CZ3-CZ 3.78Å; W692-V705 HydrophobicContact CH2-CG1 3.42Å; W692-V705 VanDerWaalsContact CH2-CG1 3.42Å; W692-V705 HydrophobicContact CZ2-CG1 3.79Å; W692-R709 HydrophobicContact CZ2-CB 3.87Å; W692-R709 HydrophobicContact CZ2-CG 3.78Å |
| 693 | I | 61.8 | Low | 72.3 | Confident | 102 Ų | 102 | 51 Ų | 51 | 52% | 0.523 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 174.9 | -73 | 170.6 | 0 | 0 | 0 | 111.3 | W691 A695 M696 N697 | W691-I693 VanDerWaalsContact C-N 3.31Å; W691-I693 PolarHBondContact O-N 3Å; I693-A695 PolarHBondContact O-N 3.38Å; I693-M696 HydrophobicContact CB-CE 4.4Å; I693-M696 HydrophobicContact CG1-CE 3.83Å; I693-M696 PolarHBondContact O-N 3.15Å; I693-N697 PolarHBondContact O-N 3.47Å |
| 694 | V | 73.9 | Confident | 71.8 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 15% | 0.152 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 177.1 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | F670 L673 N674 W691 M696 N697 N698 | F670-V694 HydrophobicContact CD2-CG1 3.96Å; F670-V694 HydrophobicContact CD2-CG2 4.36Å; F670-V694 HydrophobicContact CE2-CG1 4.11Å; F670-V694 HydrophobicContact CE2-CG2 4.48Å; L673-V694 HydrophobicContact CB-CB 4.42Å; L673-V694 HydrophobicContact CB-CG1 3.87Å; N674-V694 HydrophobicContact CB-CG1 4.24Å; W691-V694 HydrophobicContact CE3-CB 4.34Å; W691-V694 HydrophobicContact CE3-CG2 4.09Å; W691-V694 HydrophobicContact CZ3-CG2 4.35Å; W691-V694 PolarHBondContact O-N 2.69Å; V694-M696 PolarHBondContact O-N 3Å; V694-N697 PolarHBondContact O-N 3.18Å; V694-N698 PolarHBondContact O-N 3.38Å |
| 695 | A | 80.6 | Confident | 71.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L673 E686 W691 W692 I693 N697 N698 F701 | L673-A695 HydrophobicContact CD2-CB 4.16Å; E686-A695 HydrophobicContact CB-CB 4.29Å; E686-A695 HydrophobicContact CG-CB 4.46Å; W691-A695 PolarHBondContact O-N 2.89Å; W692-A695 HydrophobicContact CE3-CB 4.19Å; W692-A695 PolarHBondContact O-N 2.82Å; I693-A695 PolarHBondContact O-N 3.38Å; A695-N697 VanDerWaalsContact C-N 3.32Å; A695-N697 PolarHBondContact O-N 3.08Å; A695-N698 VanDerWaalsContact O-CB 3.27Å; A695-N698 WeakPolarHBondContact O-CB 3.25Å; A695-N698 PolarHBondContact O-N 2.7Å; A695-F701 HydrophobicContact CB-CD2 4.09Å; A695-F701 HydrophobicContact CB-CE2 3.87Å; A695-F701 WeakPolarHBondContact O-CB 3.33Å; A695-F701 WeakPolarHBondContact O-CD2 3.35Å; A695-F701 WeakPolarHBondContact O-CG 3.37Å |
| 696 | M | 72.7 | Confident | 70.7 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 27% | 0.271 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.8 | -31.1 | 179.6 | -77.1 | -174.6 | -63.2 | 0 | 0 | 113.2 | W692 I693 V694 N698 F701 L706 | W692-M696 HydrophobicContact CB-CE 4.49Å; W692-M696 VanDerWaalsContact CD1-CE 3.41Å; W692-M696 VanDerWaalsContact CD1-SD 3.53Å; W692-M696 HydrophobicContact CD2-CG 4.5Å; W692-M696 HydrophobicContact CG-CE 4.11Å; W692-M696 HydrophobicContact CG-CG 4.41Å; W692-M696 HydrophobicContact CG-SD 4.4Å; W692-M696 PolarHBondContact NE1-SD 3.02Å; W692-M696 VanDerWaalsContact O-CB 3.32Å; W692-M696 WeakPolarHBondContact O-CB 3.29Å; W692-M696 WeakPolarHBondContact O-CG 2.86Å; W692-M696 PolarHBondContact O-N 3.37Å; I693-M696 HydrophobicContact CB-CE 4.4Å; I693-M696 HydrophobicContact CG1-CE 3.83Å; I693-M696 PolarHBondContact O-N 3.15Å; V694-M696 PolarHBondContact O-N 3Å; M696-N698 VanDerWaalsContact C-N 3.29Å; M696-F701 HydrophobicContact CG-CD1 4.25Å; M696-F701 HydrophobicContact CG-CE1 3.78Å; M696-F701 HydrophobicContact CG-CE2 4.36Å; M696-F701 HydrophobicContact CG-CZ 3.82Å; M696-L706 HydrophobicContact CG-CD1 4.34Å; M696-L706 HydrophobicContact SD-CD1 3.5Å; M696-L706 WeakPolarHBondContact SD-CD1 3.39Å |
| 697 | N | 65.7 | Low | 70.3 | Confident | 109 Ų | 109 | 62.5 Ų | 62.5 | 58% | 0.583 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -75.4 | -16.8 | 176.7 | -71.6 | -14.5 | 0 | 0 | 0 | 113.1 | I693 V694 A695 | I693-N697 PolarHBondContact O-N 3.47Å; V694-N697 PolarHBondContact O-N 3.18Å; A695-N697 VanDerWaalsContact C-N 3.32Å; A695-N697 PolarHBondContact O-N 3.08Å |
| 698 | N | 74.7 | Confident | 70.2 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -64.3 | 129.2 | 175.6 | -167 | -56.5 | 0 | 0 | 0 | 110.6 | L673 N675 L683 V694 A695 M696 R700 F701 | L673-N698 WeakPolarHBondContact O-CB 3.22Å; L673-N698 PolarHBondContact O-ND2 2.79Å; N675-N698 VanDerWaalsContact C-ND2 3.31Å; N675-N698 PolarHBondContact N-ND2 2.9Å; N675-N698 PolarHBondContact O-ND2 3.03Å; L683-N698 HydrophobicContact CD1-CB 3.91Å; L683-N698 HydrophobicContact CD2-CB 4.15Å; V694-N698 PolarHBondContact O-N 3.38Å; A695-N698 VanDerWaalsContact O-CB 3.27Å; A695-N698 WeakPolarHBondContact O-CB 3.25Å; A695-N698 PolarHBondContact O-N 2.7Å; M696-N698 VanDerWaalsContact C-N 3.29Å; N698-R700 PolarHBondContact O-N 3.32Å; N698-R700 WeakPolarHBondContact OD1-CB 3.45Å; N698-R700 PolarHBondContact OD1-N 3.11Å; N698-F701 WeakPolarHBondContact O-CB 3.5Å; N698-F701 PolarHBondContact O-N 3.38Å |
| 699 | P | 69.6 | Low | 69.9 | Low | 82 Ų | 82 | 57.7 Ų | 57.7 | 53% | 0.532 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -19.4 | -179.3 | -14.9 | 21.1 | 0 | 0 | 0 | 114.1 | E620 | E620-P699 VanDerWaalsContact OE2-CD 3.24Å; E620-P699 WeakPolarHBondContact OE2-CD 3.44Å; E620-P699 WeakPolarHBondContact OE2-CG 3.29Å |
| 700 | R | 80.3 | Confident | 69.4 | Low | 118 Ų | 118 | 56.5 Ų | 56.5 | 45% | 0.445 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 4.4 | 175.1 | -65.7 | -143.5 | 177.2 | 171.2 | 0.1 | 113.4 | R676 L683 N698 P702 | R676-R700 HydrophobicContact CB-CG 4.35Å; R676-R700 WeakPolarHBondContact O-CD 3.16Å; R676-R700 PolarHBondContact O-NE 3.39Å; L683-R700 HydrophobicContact CD1-CB 4.14Å; N698-R700 PolarHBondContact O-N 3.32Å; N698-R700 WeakPolarHBondContact OD1-CB 3.45Å; N698-R700 PolarHBondContact OD1-N 3.11Å; R700-P702 WeakPolarHBondContact O-CD 3.47Å |
| 701 | F | 76.8 | Confident | 68.8 | Low | 18 Ų | 18 | 56 Ų | 56 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -59.7 | 125.2 | 175.2 | -166.9 | -101.3 | 0 | 0 | 0 | 109.8 | L683 W692 A695 M696 N698 V703 V705 L706 | L683-F701 HydrophobicContact CB-CD2 4.04Å; W692-F701 HydrophobicContact CD2-CZ 4.31Å; W692-F701 AromaticContact CE2-CZ 3.83Å; W692-F701 HydrophobicContact CE3-CE2 4.19Å; W692-F701 HydrophobicContact CE3-CZ 4.25Å; W692-F701 AromaticContact CH2-CE2 3.8Å; W692-F701 HydrophobicContact CH2-CE2 3.8Å; W692-F701 AromaticContact CH2-CZ 3.4Å; W692-F701 HydrophobicContact CH2-CZ 3.4Å; W692-F701 HydrophobicContact CZ2-CE1 4.33Å; W692-F701 HydrophobicContact CZ2-CE2 4.22Å; W692-F701 AromaticContact CZ2-CZ 3.42Å; W692-F701 HydrophobicContact CZ2-CZ 3.42Å; W692-F701 VanDerWaalsContact CZ2-CZ 3.42Å; W692-F701 AromaticContact CZ3-CE2 3.72Å; W692-F701 HydrophobicContact CZ3-CE2 3.72Å; W692-F701 AromaticContact CZ3-CZ 3.78Å; W692-F701 HydrophobicContact CZ3-CZ 3.78Å; A695-F701 HydrophobicContact CB-CD2 4.09Å; A695-F701 HydrophobicContact CB-CE2 3.87Å; A695-F701 WeakPolarHBondContact O-CB 3.33Å; A695-F701 WeakPolarHBondContact O-CD2 3.35Å; A695-F701 WeakPolarHBondContact O-CG 3.37Å; M696-F701 HydrophobicContact CG-CD1 4.25Å; M696-F701 HydrophobicContact CG-CE1 3.78Å; M696-F701 HydrophobicContact CG-CE2 4.36Å; M696-F701 HydrophobicContact CG-CZ 3.82Å; N698-F701 WeakPolarHBondContact O-CB 3.5Å; N698-F701 PolarHBondContact O-N 3.38Å; F701-V703 PolarHBondContact O-N 3.46Å; F701-V705 HydrophobicContact CE1-CB 4.37Å; F701-V705 HydrophobicContact CE1-CG1 4.37Å; F701-V705 HydrophobicContact CZ-CB 4.38Å; F701-V705 HydrophobicContact CZ-CG1 3.96Å; F701-L706 HydrophobicContact CD1-CB 4.45Å; F701-L706 HydrophobicContact CE1-CB 3.94Å |
| 702 | P | 74.9 | Confident | 67.7 | Low | 27 Ų | 27 | 64.6 Ų | 64.6 | 18% | 0.175 | 32% | 0.319 | C | S | . | . | trans | -68.2 | 114.3 | -177.3 | -18.3 | 31.6 | 0 | 0 | 0 | 109.7 | P680 A684 R700 D704 V705 L706 | P680-P702 HydrophobicContact CB-CG 4.01Å; A684-P702 HydrophobicContact CB-CG 4.23Å; R700-P702 WeakPolarHBondContact O-CD 3.47Å; P702-D704 PolarHBondContact O-N 2.98Å; P702-V705 HydrophobicContact CB-CB 4.01Å; P702-V705 HydrophobicContact CB-CG2 3.64Å; P702-V705 HydrophobicContact CG-CB 4.41Å; P702-V705 HydrophobicContact CG-CG2 3.9Å; P702-V705 WeakPolarHBondContact O-CA 3.4Å; P702-V705 WeakPolarHBondContact O-CB 3.5Å; P702-V705 PolarHBondContact O-N 3.16Å; P702-L706 PolarHBondContact O-N 3.36Å; P702-L706 VanDerWaalsContact O-N 3.12Å | ||
| 703 | V | 62.4 | Low | 66.5 | Low | 87 Ų | 87 | 66.9 Ų | 66.9 | 53% | 0.527 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -52.9 | -30.1 | 171.9 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | F701 V705 L706 K707 | F701-V703 PolarHBondContact O-N 3.46Å; V703-V705 VanDerWaalsContact C-N 3.3Å; V703-V705 PolarHBondContact O-N 2.71Å; V703-L706 PolarHBondContact O-N 3.32Å; V703-K707 HydrophobicContact CG1-CD 4.23Å; V703-K707 HydrophobicContact CG1-CG 4.49Å; V703-K707 WeakPolarHBondContact O-CB 3.3Å; V703-K707 WeakPolarHBondContact O-CG 2.87Å; V703-K707 PolarHBondContact O-N 3.27Å |
| 704 | D | 70.8 | Confident | 65.8 | Low | 122 Ų | 122 | 66.2 Ų | 66.2 | 65% | 0.652 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.4 | -34.9 | 174.7 | -52.8 | -31.7 | 0 | 0 | 0 | 112.3 | P702 A708 | P702-D704 PolarHBondContact O-N 2.98Å; D704-A708 WeakPolarHBondContact O-CA 3.25Å; D704-A708 WeakPolarHBondContact O-CB 3.11Å; D704-A708 PolarHBondContact O-N 3.36Å |
| 705 | V | 70.8 | Confident | 64.3 | Low | 31 Ų | 31 | 70.2 Ų | 70.2 | 19% | 0.188 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -75.1 | -38.8 | 175.6 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | A684 W692 F701 P702 V703 A708 R709 | A684-V705 HydrophobicContact CB-CB 4.4Å; A684-V705 HydrophobicContact CB-CG1 4.26Å; A684-V705 HydrophobicContact CB-CG2 3.54Å; W692-V705 HydrophobicContact CH2-CG1 3.42Å; W692-V705 VanDerWaalsContact CH2-CG1 3.42Å; W692-V705 HydrophobicContact CZ2-CG1 3.79Å; F701-V705 HydrophobicContact CE1-CB 4.37Å; F701-V705 HydrophobicContact CE1-CG1 4.37Å; F701-V705 HydrophobicContact CZ-CB 4.38Å; F701-V705 HydrophobicContact CZ-CG1 3.96Å; P702-V705 HydrophobicContact CB-CB 4.01Å; P702-V705 HydrophobicContact CB-CG2 3.64Å; P702-V705 HydrophobicContact CG-CB 4.41Å; P702-V705 HydrophobicContact CG-CG2 3.9Å; P702-V705 WeakPolarHBondContact O-CA 3.4Å; P702-V705 WeakPolarHBondContact O-CB 3.5Å; P702-V705 PolarHBondContact O-N 3.16Å; V703-V705 VanDerWaalsContact C-N 3.3Å; V703-V705 PolarHBondContact O-N 2.71Å; V705-A708 CarbonylContact O-C 3.49Å; V705-A708 WeakPolarHBondContact O-CB 3.36Å; V705-A708 PolarHBondContact O-N 2.78Å; V705-R709 VanDerWaalsContact O-CB 3.27Å; V705-R709 WeakPolarHBondContact O-CB 3.23Å; V705-R709 PolarHBondContact O-N 3.27Å |
| 706 | L | 63.4 | Low | 62.9 | Low | 58 Ų | 58 | 71.8 Ų | 71.8 | 30% | 0.304 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.1 | -49.7 | 170.3 | -177.1 | 61 | 0 | 0 | 0 | 110.7 | M696 F701 P702 V703 A708 R709 L710 | M696-L706 HydrophobicContact CG-CD1 4.34Å; M696-L706 HydrophobicContact SD-CD1 3.5Å; M696-L706 WeakPolarHBondContact SD-CD1 3.39Å; F701-L706 HydrophobicContact CD1-CB 4.45Å; F701-L706 HydrophobicContact CE1-CB 3.94Å; P702-L706 PolarHBondContact O-N 3.36Å; P702-L706 VanDerWaalsContact O-N 3.12Å; V703-L706 PolarHBondContact O-N 3.32Å; L706-A708 VanDerWaalsContact C-N 3.27Å; L706-A708 PolarHBondContact O-N 3.05Å; L706-R709 PolarHBondContact O-N 3.24Å; L706-L710 HydrophobicContact CD1-CD1 4.09Å; L706-L710 HydrophobicContact CD1-CG 4.38Å; L706-L710 HydrophobicContact CG-CD1 3.95Å; L706-L710 WeakPolarHBondContact O-CB 3.27Å; L706-L710 PolarHBondContact O-N 3.5Å |
| 707 | K | 62.4 | Low | 61.8 | Low | 131 Ų | 131 | 71.5 Ų | 71.5 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.4 | -35.8 | 174.6 | -74.8 | 176 | -179 | 173.6 | 0 | 112 | V703 K711 | V703-K707 HydrophobicContact CG1-CD 4.23Å; V703-K707 HydrophobicContact CG1-CG 4.49Å; V703-K707 WeakPolarHBondContact O-CB 3.3Å; V703-K707 WeakPolarHBondContact O-CG 2.87Å; V703-K707 PolarHBondContact O-N 3.27Å; K707-K711 WeakPolarHBondContact O-CB 3.34Å; K707-K711 VanDerWaalsContact O-CG 3.27Å; K707-K711 WeakPolarHBondContact O-CG 3.1Å; K707-K711 PolarHBondContact O-N 3.12Å |
| 708 | A | 64.9 | Low | 60.4 | Low | 23 Ų | 23 | 70.8 Ų | 70.8 | 19% | 0.19 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70.7 | -37.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D704 V705 L706 K711 R712 L884 | D704-A708 WeakPolarHBondContact O-CA 3.25Å; D704-A708 WeakPolarHBondContact O-CB 3.11Å; D704-A708 PolarHBondContact O-N 3.36Å; V705-A708 CarbonylContact O-C 3.49Å; V705-A708 WeakPolarHBondContact O-CB 3.36Å; V705-A708 PolarHBondContact O-N 2.78Å; L706-A708 VanDerWaalsContact C-N 3.27Å; L706-A708 PolarHBondContact O-N 3.05Å; A708-K711 CarbonylContact O-C 3.55Å; A708-K711 WeakPolarHBondContact O-CB 3.2Å; A708-K711 PolarHBondContact O-N 2.88Å; A708-R712 WeakPolarHBondContact O-CB 3.38Å; A708-R712 PolarHBondContact O-N 3.48Å; A708-L884 HydrophobicContact CB-CD1 3.23Å |
| 709 | R | 62.6 | Low | 58.6 | Low | 54 Ų | 54 | 76.5 Ų | 76.5 | 20% | 0.204 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -76.7 | -45 | -180 | -159.7 | 82.4 | -176.9 | -159.2 | -1 | 111 | W692 V705 L706 K711 R712 D713 | W692-R709 HydrophobicContact CZ2-CB 3.87Å; W692-R709 HydrophobicContact CZ2-CG 3.78Å; V705-R709 VanDerWaalsContact O-CB 3.27Å; V705-R709 WeakPolarHBondContact O-CB 3.23Å; V705-R709 PolarHBondContact O-N 3.27Å; L706-R709 PolarHBondContact O-N 3.24Å; R709-K711 PolarHBondContact O-N 3.19Å; R709-R712 CarbonylContact O-C 3.55Å; R709-R712 WeakPolarHBondContact O-CA 3.47Å; R709-R712 PolarHBondContact O-N 2.75Å; R709-D713 PolarHBondContact O-N 3.3Å |
| 710 | L | 50.5 | Low | 57.3 | Low | 69 Ų | 69 | 79.2 Ų | 79.2 | 36% | 0.361 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60 | -30.3 | 169.2 | -76.8 | 165.4 | 0 | 0 | 0 | 112 | L706 A717 | L706-L710 HydrophobicContact CD1-CD1 4.09Å; L706-L710 HydrophobicContact CD1-CG 4.38Å; L706-L710 HydrophobicContact CG-CD1 3.95Å; L706-L710 WeakPolarHBondContact O-CB 3.27Å; L706-L710 PolarHBondContact O-N 3.5Å; L710-A717 HydrophobicContact CD2-CB 4.32Å |
| 711 | K | 54.5 | Low | 55.2 | Low | 30 Ų | 30 | 76.4 Ų | 76.4 | 13% | 0.13 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -71.2 | -44 | 167.5 | -86.3 | 179 | 173.7 | 175.6 | 0 | 112.3 | K707 A708 R709 S881 L884 L891 | K707-K711 WeakPolarHBondContact O-CB 3.34Å; K707-K711 VanDerWaalsContact O-CG 3.27Å; K707-K711 WeakPolarHBondContact O-CG 3.1Å; K707-K711 PolarHBondContact O-N 3.12Å; A708-K711 CarbonylContact O-C 3.55Å; A708-K711 WeakPolarHBondContact O-CB 3.2Å; A708-K711 PolarHBondContact O-N 2.88Å; R709-K711 PolarHBondContact O-N 3.19Å; K711-S881 PolarHBondContact NZ-O 3.15Å; K711-L884 HydrophobicContact CB-CD2 3.79Å; K711-L884 HydrophobicContact CD-CB 3.87Å; K711-L884 HydrophobicContact CD-CD2 3.85Å; K711-L884 HydrophobicContact CD-CG 4.37Å; K711-L884 HydrophobicContact CG-CD2 4.42Å; K711-L891 HydrophobicContact CB-CB 4.24Å; K711-L891 HydrophobicContact CB-CD2 3.87Å; K711-L891 HydrophobicContact CD-CB 3.91Å; K711-L891 HydrophobicContact CG-CB 4.11Å; K711-L891 HydrophobicContact CG-CD2 4.42Å; K711-L891 WeakPolarHBondContact O-CD2 3.47Å |
| 712 | R | 55.1 | Low | 52.9 | Low | 204 Ų | 204 | 81.7 Ų | 81.7 | 77% | 0.77 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -72.3 | -34.8 | -176.1 | -112.3 | -178.8 | 173.8 | 171.6 | -2.3 | 113.6 | A708 R709 | A708-R712 WeakPolarHBondContact O-CB 3.38Å; A708-R712 PolarHBondContact O-N 3.48Å; R709-R712 CarbonylContact O-C 3.55Å; R709-R712 WeakPolarHBondContact O-CA 3.47Å; R709-R712 PolarHBondContact O-N 2.75Å |
| 713 | D | 48.7 | Very low | 51.1 | Low | 56 Ų | 56 | 84.1 Ų | 84.1 | 30% | 0.299 | 44% | 0.441 | S | S | . | . | trans | -136.1 | 80.9 | -173.5 | -162.6 | -11.1 | 0 | 0 | 0 | 108.3 | R709 L715 L716 | R709-D713 PolarHBondContact O-N 3.3Å; D713-L715 PolarHBondContact O-N 2.63Å; D713-L715 WeakPolarHBondContact OD1-CB 3.5Å; D713-L715 PolarHBondContact OD1-N 3.48Å; D713-L716 HydrophobicContact CB-CD1 3.94Å; D713-L716 WeakPolarHBondContact O-CB 3.49Å; D713-L716 PolarHBondContact O-N 2.89Å; D713-L716 WeakPolarHBondContact OD2-CD1 3.06Å | ||
| 714 | P | 47.2 | Very low | 49.8 | Very low | 88 Ų | 88 | 88.1 Ų | 88.1 | 57% | 0.571 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.7 | 178.1 | -18 | 30.8 | 0 | 0 | 0 | 111.9 | L716 A717 | P714-L716 PolarHBondContact O-N 2.83Å; P714-A717 VanDerWaalsContact O-CB 3.25Å; P714-A717 WeakPolarHBondContact O-CB 3.42Å; P714-A717 PolarHBondContact O-N 2.83Å |
| 715 | L | 42.5 | Very low | 48.2 | Very low | 110 Ų | 110 | 89.8 Ų | 89.8 | 58% | 0.576 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -20.6 | 172.9 | -84.9 | 143.9 | 0 | 0 | 0 | 112.4 | D713 A717 L718 E719 | D713-L715 PolarHBondContact O-N 2.63Å; D713-L715 WeakPolarHBondContact OD1-CB 3.5Å; D713-L715 PolarHBondContact OD1-N 3.48Å; L715-A717 PolarHBondContact O-N 2.91Å; L715-L718 HydrophobicContact CD2-CB 4.19Å; L715-L718 HydrophobicContact CD2-CD1 3.55Å; L715-L718 HydrophobicContact CG-CD1 3.94Å; L715-L718 CarbonylContact O-C 3.52Å; L715-L718 VanDerWaalsContact O-CA 3.32Å; L715-L718 WeakPolarHBondContact O-CA 3.14Å; L715-L718 WeakPolarHBondContact O-CB 3.45Å; L715-L718 PolarHBondContact O-N 3.34Å; L715-E719 PolarHBondContact O-N 2.76Å |
| 716 | L | 49.8 | Very low | 46.6 | Very low | 32 Ų | 32 | 93 Ų | 93 | 17% | 0.168 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -61.8 | -23.8 | 168.6 | -113.9 | 98.6 | 0 | 0 | 0 | 112.1 | D713 P714 L720 | D713-L716 HydrophobicContact CB-CD1 3.94Å; D713-L716 WeakPolarHBondContact O-CB 3.49Å; D713-L716 PolarHBondContact O-N 2.89Å; D713-L716 WeakPolarHBondContact OD2-CD1 3.06Å; P714-L716 PolarHBondContact O-N 2.83Å; L716-L720 PolarHBondContact O-N 2.8Å |
| 717 | A | 49.5 | Very low | 45.5 | Very low | 49 Ų | 49 | 92.1 Ų | 92.1 | 41% | 0.405 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -77.6 | -24.5 | 170 | 0 | 0 | 0 | 0 | 0 | 112.5 | L710 P714 L715 | L710-A717 HydrophobicContact CD2-CB 4.32Å; P714-A717 VanDerWaalsContact O-CB 3.25Å; P714-A717 WeakPolarHBondContact O-CB 3.42Å; P714-A717 PolarHBondContact O-N 2.83Å; L715-A717 PolarHBondContact O-N 2.91Å |
| 718 | L | 36.9 | Very low | 44.5 | Very low | 95 Ų | 95 | 91.1 Ų | 91.1 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -81.9 | -31.9 | 173.5 | -74.7 | 159.6 | 0 | 0 | 0 | 112.1 | L715 L720 V721 | L715-L718 HydrophobicContact CD2-CB 4.19Å; L715-L718 HydrophobicContact CD2-CD1 3.55Å; L715-L718 HydrophobicContact CG-CD1 3.94Å; L715-L718 CarbonylContact O-C 3.52Å; L715-L718 VanDerWaalsContact O-CA 3.32Å; L715-L718 WeakPolarHBondContact O-CA 3.14Å; L715-L718 WeakPolarHBondContact O-CB 3.45Å; L715-L718 PolarHBondContact O-N 3.34Å; L718-L720 PolarHBondContact O-N 2.92Å; L718-V721 CarbonylContact O-C 3.51Å; L718-V721 PolarHBondContact O-N 3.38Å; L718-V721 VanDerWaalsContact O-N 3.07Å |
| 719 | E | 37.9 | Very low | 43.4 | Very low | 122 Ų | 122 | 97.8 Ų | 97.8 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.3 | -20.6 | 170.2 | -77.1 | -161.3 | 135.7 | 0 | 0 | 112.4 | R11 L715 V721 | R11-E719 IonicContact CZ-OE1 2.68Å; R11-E719 IonicContact NH1-OE1 3.52Å; R11-E719 PolarHBondContact NH1-OE1 2.79Å; R11-E719 IonicContact NH2-OE1 3.58Å; R11-E719 PolarHBondContact NH2-OE1 3.39Å; L715-E719 PolarHBondContact O-N 2.76Å; E719-V721 VanDerWaalsContact C-N 3.33Å |
| 720 | L | 41.5 | Very low | 42.5 | Very low | 140 Ų | 140 | 100.5 Ų | 100.5 | 73% | 0.733 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -10.8 | 166.5 | -80.7 | 161.9 | 0 | 0 | 0 | 113.5 | L716 L718 | L716-L720 PolarHBondContact O-N 2.8Å; L718-L720 PolarHBondContact O-N 2.92Å |
| 721 | V | 35.8 | Very low | 42.4 | Very low | 59 Ų | 59 | 101.2 Ų | 101.2 | 36% | 0.358 | 52% | 0.518 | S | S | . | . | trans | -149.6 | 88.3 | -170.2 | -173.6 | 0 | 0 | 0 | 0 | 111 | L718 E719 P723 L727 | L718-V721 CarbonylContact O-C 3.51Å; L718-V721 PolarHBondContact O-N 3.38Å; L718-V721 VanDerWaalsContact O-N 3.07Å; E719-V721 VanDerWaalsContact C-N 3.33Å; V721-P723 VanDerWaalsContact O-CD 3.29Å; V721-P723 WeakPolarHBondContact O-CD 3.38Å; V721-L727 HydrophobicContact CG1-CD1 4.05Å | ||
| 722 | N | 29.9 | Very low | 42.2 | Very low | 128 Ų | 128 | 102.3 Ų | 102.3 | 68% | 0.684 | 53% | 0.532 | S | S | * | . | trans | -67 | 113.7 | 171.8 | -152.5 | 11.8 | 0 | 0 | 0 | 109.8 | ||||
| 723 | P | 35.6 | Very low | 42.1 | Very low | 78 Ų | 78 | 97.5 Ų | 97.5 | 51% | 0.506 | 52% | 0.521 | S | S | . | . | trans | -101.4 | 93.8 | -169.5 | 34.6 | -24.9 | 0 | 0 | 0 | 112.8 | V721 L727 | V721-P723 VanDerWaalsContact O-CD 3.29Å; V721-P723 WeakPolarHBondContact O-CD 3.38Å; P723-L727 HydrophobicContact CB-CD2 4.49Å | ||
| 724 | E | 35.3 | Very low | 42.3 | Very low | 171 Ų | 171 | 100 Ų | 100 | 80% | 0.799 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -117.7 | 178.3 | 156.9 | -76.4 | -173.3 | 156.4 | 0 | 0 | 108.6 | D726 L727 | E724-D726 PolarHBondContact O-N 3.2Å; E724-L727 PolarHBondContact O-N 2.99Å; E724-L727 VanDerWaalsContact O-N 3.08Å |
| 725 | L | 36.5 | Very low | 42.7 | Very low | 158 Ų | 158 | 97.5 Ų | 97.5 | 83% | 0.827 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -34.6 | -26.3 | -169.7 | -105.3 | 89.6 | 0 | 0 | 0 | 118.6 | L727 V728 R729 | L725-L727 PolarHBondContact O-N 3.4Å; L725-V728 PolarHBondContact O-N 3.17Å; L725-R729 PolarHBondContact O-N 3.48Å |
| 726 | D | 37.2 | Very low | 43.4 | Very low | 97 Ų | 97 | 95.6 Ų | 95.6 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -21.4 | 176.3 | -78.8 | -39.9 | 0 | 0 | 0 | 114.6 | E724 R729 Q730 | E724-D726 PolarHBondContact O-N 3.2Å; D726-R729 CarbonylContact O-C 3.37Å; D726-R729 WeakPolarHBondContact O-CA 3.2Å; D726-R729 WeakPolarHBondContact O-CB 3.28Å; D726-R729 PolarHBondContact O-N 3.4Å; D726-R729 WeakPolarHBondContact OD1-CD 3.24Å; D726-R729 IonicContact OD1-NH1 2.91Å; D726-Q730 WeakPolarHBondContact O-CB 3.24Å; D726-Q730 WeakPolarHBondContact O-CG 3.49Å; D726-Q730 PolarHBondContact O-N 2.75Å |
| 727 | L | 40.3 | Very low | 43.6 | Very low | 41 Ų | 41 | 95.1 Ų | 95.1 | 22% | 0.215 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -69.8 | -39.5 | 176.6 | -168.7 | 72.9 | 0 | 0 | 0 | 112.3 | V721 P723 E724 L725 R729 Q730 L731 W758 | V721-L727 HydrophobicContact CG1-CD1 4.05Å; P723-L727 HydrophobicContact CB-CD2 4.49Å; E724-L727 PolarHBondContact O-N 2.99Å; E724-L727 VanDerWaalsContact O-N 3.08Å; L725-L727 PolarHBondContact O-N 3.4Å; L727-R729 VanDerWaalsContact C-N 3.25Å; L727-R729 PolarHBondContact O-N 2.74Å; L727-Q730 PolarHBondContact O-N 3.34Å; L727-L731 WeakPolarHBondContact O-CG 3.16Å; L727-L731 PolarHBondContact O-N 3.33Å; L727-W758 HydrophobicContact CD2-CH2 3.79Å; L727-W758 HydrophobicContact CD2-CZ3 4.09Å |
| 728 | V | 42.4 | Very low | 43.9 | Very low | 110 Ų | 110 | 95.8 Ų | 95.8 | 67% | 0.667 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.1 | -37.1 | 171.4 | 177.8 | 0 | 0 | 0 | 0 | 109.6 | L725 L731 A732 | L725-V728 PolarHBondContact O-N 3.17Å; V728-L731 PolarHBondContact O-N 3.27Å; V728-A732 WeakPolarHBondContact O-CB 3.11Å; V728-A732 PolarHBondContact O-N 3.49Å |
| 729 | R | 42.1 | Very low | 45 | Very low | 163 Ų | 163 | 95.5 Ų | 95.5 | 62% | 0.615 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 175.3 | -157 | -177.8 | -174.3 | -171.1 | 0.8 | 112.3 | L725 D726 L727 A732 L733 | L725-R729 PolarHBondContact O-N 3.48Å; D726-R729 CarbonylContact O-C 3.37Å; D726-R729 WeakPolarHBondContact O-CA 3.2Å; D726-R729 WeakPolarHBondContact O-CB 3.28Å; D726-R729 PolarHBondContact O-N 3.4Å; D726-R729 WeakPolarHBondContact OD1-CD 3.24Å; D726-R729 IonicContact OD1-NH1 2.91Å; L727-R729 VanDerWaalsContact C-N 3.25Å; L727-R729 PolarHBondContact O-N 2.74Å; R729-A732 PolarHBondContact O-N 2.86Å; R729-L733 HydrophobicContact CG-CD1 4.19Å; R729-L733 VanDerWaalsContact O-CB 3.28Å; R729-L733 WeakPolarHBondContact O-CB 3.28Å; R729-L733 WeakPolarHBondContact O-CD1 3.09Å; R729-L733 WeakPolarHBondContact O-CG 3.34Å; R729-L733 PolarHBondContact O-N 3.47Å |
| 730 | Q | 44.4 | Very low | 45.8 | Very low | 111 Ų | 111 | 93.1 Ų | 93.1 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.8 | -37.6 | 176.3 | -78.6 | -170.1 | 4.4 | 0 | 0 | 112.3 | D726 L727 L733 N734 | D726-Q730 WeakPolarHBondContact O-CB 3.24Å; D726-Q730 WeakPolarHBondContact O-CG 3.49Å; D726-Q730 PolarHBondContact O-N 2.75Å; L727-Q730 PolarHBondContact O-N 3.34Å; Q730-L733 CarbonylContact O-C 3.51Å; Q730-L733 PolarHBondContact O-N 2.89Å; Q730-N734 WeakPolarHBondContact O-CB 3.24Å; Q730-N734 PolarHBondContact O-N 3.5Å; Q730-N734 PolarHBondContact O-ND2 2.92Å |
| 731 | L | 46.4 | Very low | 46.6 | Very low | 84 Ų | 84 | 91.5 Ų | 91.5 | 44% | 0.44 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 172.9 | -76.7 | 166.2 | 0 | 0 | 0 | 111.4 | L727 V728 A735 I754 | L727-L731 WeakPolarHBondContact O-CG 3.16Å; L727-L731 PolarHBondContact O-N 3.33Å; V728-L731 PolarHBondContact O-N 3.27Å; L731-A735 WeakPolarHBondContact O-CB 3.26Å; L731-A735 PolarHBondContact O-N 3.02Å; L731-I754 HydrophobicContact CD2-CG2 4.2Å |
| 732 | A | 50.8 | Low | 46.9 | Very low | 52 Ų | 52 | 91.3 Ų | 91.3 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -51.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V728 R729 N734 A735 T736 | V728-A732 WeakPolarHBondContact O-CB 3.11Å; V728-A732 PolarHBondContact O-N 3.49Å; R729-A732 PolarHBondContact O-N 2.86Å; A732-N734 VanDerWaalsContact C-N 3.34Å; A732-N734 PolarHBondContact O-N 3.39Å; A732-A735 PolarHBondContact O-N 3.25Å; A732-T736 WeakPolarHBondContact O-CA 3.36Å; A732-T736 WeakPolarHBondContact O-CB 3.35Å; A732-T736 PolarHBondContact O-N 3.4Å; A732-T736 PolarHBondContact O-OG1 2.86Å |
| 733 | L | 52.7 | Low | 48.1 | Very low | 103 Ų | 103 | 89.3 Ų | 89.3 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -33.1 | 179.5 | -78.6 | 159.9 | 0 | 0 | 0 | 114.1 | R729 Q730 G737 | R729-L733 HydrophobicContact CG-CD1 4.19Å; R729-L733 VanDerWaalsContact O-CB 3.28Å; R729-L733 WeakPolarHBondContact O-CB 3.28Å; R729-L733 WeakPolarHBondContact O-CD1 3.09Å; R729-L733 WeakPolarHBondContact O-CG 3.34Å; R729-L733 PolarHBondContact O-N 3.47Å; Q730-L733 CarbonylContact O-C 3.51Å; Q730-L733 PolarHBondContact O-N 2.89Å; L733-G737 VanDerWaalsContact O-CA 3.24Å; L733-G737 WeakPolarHBondContact O-CA 3.49Å; L733-G737 PolarHBondContact O-N 2.66Å |
| 734 | N | 53.6 | Low | 49 | Very low | 110 Ų | 110 | 90.8 Ų | 90.8 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -79.5 | -39.4 | 177.6 | -77.5 | -23.1 | 0 | 0 | 0 | 112 | Q730 A732 G737 Q738 | Q730-N734 WeakPolarHBondContact O-CB 3.24Å; Q730-N734 PolarHBondContact O-N 3.5Å; Q730-N734 PolarHBondContact O-ND2 2.92Å; A732-N734 VanDerWaalsContact C-N 3.34Å; A732-N734 PolarHBondContact O-N 3.39Å; N734-G737 PolarHBondContact O-N 3.48Å; N734-Q738 PolarHBondContact O-N 3.23Å |
| 735 | A | 55.1 | Low | 49.7 | Very low | 34 Ų | 34 | 86.5 Ų | 86.5 | 28% | 0.281 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L731 A732 G737 Q738 V739 | L731-A735 WeakPolarHBondContact O-CB 3.26Å; L731-A735 PolarHBondContact O-N 3.02Å; A732-A735 PolarHBondContact O-N 3.25Å; A735-G737 VanDerWaalsContact C-N 3.25Å; A735-G737 PolarHBondContact O-N 3.44Å; A735-Q738 PolarHBondContact O-N 3.01Å; A735-V739 VanDerWaalsContact O-CG2 3.24Å; A735-V739 WeakPolarHBondContact O-CG2 3.45Å; A735-V739 PolarHBondContact O-N 3.2Å |
| 736 | T | 57 | Low | 50.9 | Low | 70 Ų | 70 | 80.9 Ų | 80.9 | 43% | 0.429 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.1 | -36.5 | 169.9 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | A732 V739 L740 | A732-T736 WeakPolarHBondContact O-CA 3.36Å; A732-T736 WeakPolarHBondContact O-CB 3.35Å; A732-T736 PolarHBondContact O-N 3.4Å; A732-T736 PolarHBondContact O-OG1 2.86Å; T736-V739 CarbonylContact O-C 3.48Å; T736-V739 WeakPolarHBondContact O-CB 3.24Å; T736-V739 PolarHBondContact O-N 2.95Å; T736-L740 HydrophobicContact CG2-CD1 3.82Å; T736-L740 HydrophobicContact CG2-CG 4.08Å; T736-L740 VanDerWaalsContact O-CB 3.24Å; T736-L740 WeakPolarHBondContact O-CB 3.42Å; T736-L740 WeakPolarHBondContact O-CG 3.41Å; T736-L740 PolarHBondContact O-N 3.02Å |
| 737 | G | 54.7 | Low | 52.1 | Low | 23 Ų | 23 | 79.5 Ų | 79.5 | 24% | 0.237 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | L733 N734 A735 L740 V741 | L733-G737 VanDerWaalsContact O-CA 3.24Å; L733-G737 WeakPolarHBondContact O-CA 3.49Å; L733-G737 PolarHBondContact O-N 2.66Å; N734-G737 PolarHBondContact O-N 3.48Å; A735-G737 VanDerWaalsContact C-N 3.25Å; A735-G737 PolarHBondContact O-N 3.44Å; G737-L740 CarbonylContact O-C 3.39Å; G737-L740 PolarHBondContact O-N 2.69Å; G737-V741 WeakPolarHBondContact O-CB 3.05Å; G737-V741 VanDerWaalsContact O-CG2 3.26Å; G737-V741 WeakPolarHBondContact O-CG2 3.29Å; G737-V741 PolarHBondContact O-N 2.84Å |
| 738 | Q | 56.8 | Low | 53.2 | Low | 62 Ų | 62 | 83.6 Ų | 83.6 | 29% | 0.29 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.9 | -36.1 | 171.6 | -76.9 | -169.2 | -10.6 | 0 | 0 | 112.4 | N734 A735 L740 V741 G742 F747 | N734-Q738 PolarHBondContact O-N 3.23Å; A735-Q738 PolarHBondContact O-N 3.01Å; Q738-L740 VanDerWaalsContact C-N 3.31Å; Q738-V741 PolarHBondContact O-N 3.42Å; Q738-G742 PolarHBondContact O-N 2.78Å; Q738-F747 HydrophobicContact CB-CD2 3.94Å; Q738-F747 HydrophobicContact CB-CE2 4.28Å; Q738-F747 VanDerWaalsContact OE1-CD2 3.29Å |
| 739 | V | 59.9 | Low | 54.3 | Low | 89 Ų | 89 | 84.1 Ų | 84.1 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.1 | -36.8 | 173.4 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | A735 T736 G742 F747 | A735-V739 VanDerWaalsContact O-CG2 3.24Å; A735-V739 WeakPolarHBondContact O-CG2 3.45Å; A735-V739 PolarHBondContact O-N 3.2Å; T736-V739 CarbonylContact O-C 3.48Å; T736-V739 WeakPolarHBondContact O-CB 3.24Å; T736-V739 PolarHBondContact O-N 2.95Å; V739-G742 PolarHBondContact O-N 3.24Å; V739-F747 HydrophobicContact CG2-CE2 4.03Å; V739-F747 HydrophobicContact CG2-CZ 4.34Å |
| 740 | L | 54.7 | Low | 55.2 | Low | 73 Ų | 73 | 78.5 Ų | 78.5 | 38% | 0.382 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -73.1 | -40.6 | 174.2 | -70.9 | 167.5 | 0 | 0 | 0 | 110.5 | W371 T736 G737 Q738 G742 | W371-L740 HydrophobicContact CD2-CD2 3.47Å; W371-L740 VanDerWaalsContact CD2-CD2 3.47Å; W371-L740 HydrophobicContact CE3-CB 4.25Å; W371-L740 HydrophobicContact CE3-CD2 3.44Å; W371-L740 VanDerWaalsContact CE3-CD2 3.44Å; W371-L740 HydrophobicContact CE3-CG 4.45Å; W371-L740 HydrophobicContact CG-CD2 4.05Å; W371-L740 VanDerWaalsContact CH2-CA 3.45Å; W371-L740 HydrophobicContact CH2-CB 4.32Å; W371-L740 HydrophobicContact CH2-CD2 4.17Å; W371-L740 WeakPolarHBondContact CH2-O 3.41Å; W371-L740 HydrophobicContact CZ2-CD2 4.15Å; W371-L740 VanDerWaalsContact CZ3-C 3.45Å; W371-L740 HydrophobicContact CZ3-CB 3.95Å; W371-L740 HydrophobicContact CZ3-CD2 3.86Å; W371-L740 WeakPolarHBondContact CZ3-O 3.09Å; T736-L740 HydrophobicContact CG2-CD1 3.82Å; T736-L740 HydrophobicContact CG2-CG 4.08Å; T736-L740 VanDerWaalsContact O-CB 3.24Å; T736-L740 WeakPolarHBondContact O-CB 3.42Å; T736-L740 WeakPolarHBondContact O-CG 3.41Å; T736-L740 PolarHBondContact O-N 3.02Å; G737-L740 CarbonylContact O-C 3.39Å; G737-L740 PolarHBondContact O-N 2.69Å; Q738-L740 VanDerWaalsContact C-N 3.31Å; L740-G742 PolarHBondContact O-N 2.83Å |
| 741 | V | 58.1 | Low | 56.1 | Low | 105 Ų | 105 | 75.8 Ų | 75.8 | 64% | 0.636 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.9 | -16.6 | 174.6 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | G737 Q738 D743 | G737-V741 WeakPolarHBondContact O-CB 3.05Å; G737-V741 VanDerWaalsContact O-CG2 3.26Å; G737-V741 WeakPolarHBondContact O-CG2 3.29Å; G737-V741 PolarHBondContact O-N 2.84Å; Q738-V741 PolarHBondContact O-N 3.42Å; V741-D743 HydrophobicContact CG1-CB 4.42Å; V741-D743 PolarHBondContact O-N 3.17Å; V741-D743 VanDerWaalsContact O-N 3.16Å |
| 742 | G | 42.6 | Very low | 57 | Low | 55 Ų | 55 | 73.9 Ų | 73.9 | 57% | 0.567 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 8.5 | 170 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q738 V739 L740 P744 | Q738-G742 PolarHBondContact O-N 2.78Å; V739-G742 PolarHBondContact O-N 3.24Å; L740-G742 PolarHBondContact O-N 2.83Å; G742-P744 VanDerWaalsContact O-CD 3.27Å; G742-P744 WeakPolarHBondContact O-CD 3.46Å |
| 743 | D | 55 | Low | 57.6 | Low | 86 Ų | 86 | 74 Ų | 74 | 46% | 0.46 | 45% | 0.454 | S | S | . | . | trans | -96.9 | 104 | 174.1 | -173.1 | 1.8 | 0 | 0 | 0 | 109.9 | V741 S745 | V741-D743 HydrophobicContact CG1-CB 4.42Å; V741-D743 PolarHBondContact O-N 3.17Å; V741-D743 VanDerWaalsContact O-N 3.16Å; D743-S745 PolarHBondContact O-N 2.92Å; D743-S745 WeakPolarHBondContact OD1-CB 3.48Å; D743-S745 PolarHBondContact OD1-N 3.28Å; D743-S745 PolarHBondContact OD1-OG 3.44Å; D743-S745 PolarHBondContact OD2-OG 3.02Å | ||
| 744 | P | 53.4 | Low | 58.1 | Low | 109 Ų | 109 | 72.7 Ų | 72.7 | 71% | 0.708 | 45% | 0.447 | S | S | * | . | trans | -74.4 | -5.6 | 177.8 | 32.3 | -35.9 | 0 | 0 | 0 | 112.9 | G742 G746 F747 | G742-P744 VanDerWaalsContact O-CD 3.27Å; G742-P744 WeakPolarHBondContact O-CD 3.46Å; P744-G746 PolarHBondContact O-N 2.92Å; P744-F747 PolarHBondContact O-N 3.27Å | ||
| 745 | S | 49.5 | Very low | 58.5 | Low | 81 Ų | 81 | 73.6 Ų | 73.6 | 57% | 0.566 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 121.8 | -174.5 | 75.8 | 0 | 0 | 0 | 0 | 110.7 | D743 F747 | D743-S745 PolarHBondContact O-N 2.92Å; D743-S745 WeakPolarHBondContact OD1-CB 3.48Å; D743-S745 PolarHBondContact OD1-N 3.28Å; D743-S745 PolarHBondContact OD1-OG 3.44Å; D743-S745 PolarHBondContact OD2-OG 3.02Å; S745-F747 PolarHBondContact O-N 2.93Å; S745-F747 VanDerWaalsContact O-N 3.13Å |
| 746 | G | 62.1 | Low | 59.1 | Low | 41 Ų | 41 | 78.7 Ų | 78.7 | 42% | 0.423 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 10 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | P744 L748 H749 T750 | P744-G746 PolarHBondContact O-N 2.92Å; G746-L748 PolarHBondContact O-N 3.45Å; G746-H749 CarbonylContact O-C 3.57Å; G746-H749 WeakPolarHBondContact O-CB 3.32Å; G746-H749 PolarHBondContact O-N 2.83Å; G746-T750 WeakPolarHBondContact O-CB 3.25Å; G746-T750 PolarHBondContact O-N 3.48Å; G746-T750 PolarHBondContact O-OG1 2.9Å |
| 747 | F | 63.1 | Low | 59.6 | Low | 67 Ų | 67 | 76.7 Ų | 76.7 | 29% | 0.294 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -54.7 | -55.8 | -179.5 | 174.9 | -97.7 | 0 | 0 | 0 | 112.3 | Q738 V739 P744 S745 H749 T750 V751 | Q738-F747 HydrophobicContact CB-CD2 3.94Å; Q738-F747 HydrophobicContact CB-CE2 4.28Å; Q738-F747 VanDerWaalsContact OE1-CD2 3.29Å; V739-F747 HydrophobicContact CG2-CE2 4.03Å; V739-F747 HydrophobicContact CG2-CZ 4.34Å; P744-F747 PolarHBondContact O-N 3.27Å; S745-F747 PolarHBondContact O-N 2.93Å; S745-F747 VanDerWaalsContact O-N 3.13Å; F747-H749 VanDerWaalsContact C-N 3.27Å; F747-H749 PolarHBondContact O-N 3.34Å; F747-T750 PolarHBondContact O-N 2.77Å; F747-V751 HydrophobicContact CD1-CG2 4.45Å; F747-V751 HydrophobicContact CD2-CG2 4.1Å; F747-V751 HydrophobicContact CE1-CG2 4.11Å; F747-V751 HydrophobicContact CE2-CG2 3.74Å; F747-V751 HydrophobicContact CG-CG2 4.45Å; F747-V751 HydrophobicContact CZ-CG2 3.74Å; F747-V751 WeakPolarHBondContact O-CB 3.25Å; F747-V751 WeakPolarHBondContact O-CG2 3.34Å; F747-V751 PolarHBondContact O-N 3.37Å |
| 748 | L | 63.8 | Low | 60 | Low | 128 Ų | 128 | 81.3 Ų | 81.3 | 67% | 0.67 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.8 | -39.7 | 178.8 | -175.1 | 69.1 | 0 | 0 | 0 | 111.2 | G746 S752 | G746-L748 PolarHBondContact O-N 3.45Å; L748-S752 WeakPolarHBondContact O-CA 3.42Å; L748-S752 WeakPolarHBondContact O-CB 3.15Å; L748-S752 PolarHBondContact O-N 2.63Å; L748-S752 PolarHBondContact O-OG 3.07Å |
| 749 | H | 64.3 | Low | 60.3 | Low | 120 Ų | 120 | 81 Ų | 81 | 56% | 0.556 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63 | -44.2 | 177.5 | -179 | -84.4 | 0 | 0 | 0 | 111.2 | G746 F747 A753 | G746-H749 CarbonylContact O-C 3.57Å; G746-H749 WeakPolarHBondContact O-CB 3.32Å; G746-H749 PolarHBondContact O-N 2.83Å; F747-H749 VanDerWaalsContact C-N 3.27Å; F747-H749 PolarHBondContact O-N 3.34Å; H749-A753 WeakPolarHBondContact O-CB 3.47Å; H749-A753 PolarHBondContact O-N 3.38Å |
| 750 | T | 61.6 | Low | 60.7 | Low | 46 Ų | 46 | 77.2 Ų | 77.2 | 28% | 0.282 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.7 | -51.1 | -179.8 | -53 | 0 | 0 | 0 | 0 | 111.3 | G746 F747 S752 A753 I754 | G746-T750 WeakPolarHBondContact O-CB 3.25Å; G746-T750 PolarHBondContact O-N 3.48Å; G746-T750 PolarHBondContact O-OG1 2.9Å; F747-T750 PolarHBondContact O-N 2.77Å; T750-S752 VanDerWaalsContact C-N 3.34Å; T750-S752 PolarHBondContact O-N 2.93Å; T750-A753 PolarHBondContact O-N 2.78Å; T750-I754 HydrophobicContact CG2-CD1 3.86Å; T750-I754 WeakPolarHBondContact O-CB 3.38Å; T750-I754 VanDerWaalsContact O-CG1 3.25Å; T750-I754 WeakPolarHBondContact O-CG1 3.38Å; T750-I754 PolarHBondContact O-N 2.8Å |
| 751 | V | 63.8 | Low | 61.2 | Low | 54 Ų | 54 | 77 Ų | 77 | 33% | 0.327 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 178 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | F747 F755 | F747-V751 HydrophobicContact CD1-CG2 4.45Å; F747-V751 HydrophobicContact CD2-CG2 4.1Å; F747-V751 HydrophobicContact CE1-CG2 4.11Å; F747-V751 HydrophobicContact CE2-CG2 3.74Å; F747-V751 HydrophobicContact CG-CG2 4.45Å; F747-V751 HydrophobicContact CZ-CG2 3.74Å; F747-V751 WeakPolarHBondContact O-CB 3.25Å; F747-V751 WeakPolarHBondContact O-CG2 3.34Å; F747-V751 PolarHBondContact O-N 3.37Å; V751-F755 VanDerWaalsContact O-CB 3.26Å; V751-F755 WeakPolarHBondContact O-CB 2.87Å; V751-F755 PolarHBondContact O-N 3.49Å |
| 752 | S | 63.7 | Low | 61.4 | Low | 44 Ų | 44 | 75.3 Ų | 75.3 | 31% | 0.308 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.3 | -42.5 | 176.8 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | L748 T750 I754 F755 W756 | L748-S752 WeakPolarHBondContact O-CA 3.42Å; L748-S752 WeakPolarHBondContact O-CB 3.15Å; L748-S752 PolarHBondContact O-N 2.63Å; L748-S752 PolarHBondContact O-OG 3.07Å; T750-S752 VanDerWaalsContact C-N 3.34Å; T750-S752 PolarHBondContact O-N 2.93Å; S752-I754 VanDerWaalsContact C-N 3.34Å; S752-I754 PolarHBondContact O-N 2.79Å; S752-F755 PolarHBondContact O-N 3.48Å; S752-W756 VanDerWaalsContact O-CB 3.31Å; S752-W756 WeakPolarHBondContact O-CB 3.48Å; S752-W756 PolarHBondContact O-N 2.91Å |
| 753 | A | 64.6 | Low | 62.3 | Low | 54 Ų | 54 | 78.9 Ų | 78.9 | 45% | 0.446 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | H749 T750 G757 | H749-A753 WeakPolarHBondContact O-CB 3.47Å; H749-A753 PolarHBondContact O-N 3.38Å; T750-A753 PolarHBondContact O-N 2.78Å; A753-G757 WeakPolarHBondContact O-CA 3.49Å; A753-G757 PolarHBondContact O-N 3.01Å |
| 754 | I | 62.9 | Low | 62.8 | Low | 76 Ų | 76 | 75.3 Ų | 75.3 | 39% | 0.39 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.8 | -53.5 | 174.2 | -67.1 | 166.1 | 0 | 0 | 0 | 109.8 | L731 T750 S752 W756 G757 W758 | L731-I754 HydrophobicContact CD2-CG2 4.2Å; T750-I754 HydrophobicContact CG2-CD1 3.86Å; T750-I754 WeakPolarHBondContact O-CB 3.38Å; T750-I754 VanDerWaalsContact O-CG1 3.25Å; T750-I754 WeakPolarHBondContact O-CG1 3.38Å; T750-I754 PolarHBondContact O-N 2.8Å; S752-I754 VanDerWaalsContact C-N 3.34Å; S752-I754 PolarHBondContact O-N 2.79Å; I754-W756 PolarHBondContact O-N 3.1Å; I754-G757 PolarHBondContact O-N 2.79Å; I754-W758 VanDerWaalsContact O-CD1 3.23Å; I754-W758 PolarHBondContact O-N 2.87Å |
| 755 | F | 62.8 | Low | 63.5 | Low | 128 Ų | 128 | 72.3 Ų | 72.3 | 56% | 0.561 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -59.3 | -50.8 | -177.3 | -177.9 | -103.2 | 0 | 0 | 0 | 112.5 | V751 S752 W758 I759 | V751-F755 VanDerWaalsContact O-CB 3.26Å; V751-F755 WeakPolarHBondContact O-CB 2.87Å; V751-F755 PolarHBondContact O-N 3.49Å; S752-F755 PolarHBondContact O-N 3.48Å; F755-W758 PolarHBondContact O-N 2.95Å; F755-I759 HydrophobicContact CD1-CD1 3.8Å; F755-I759 HydrophobicContact CE1-CD1 3.25Å; F755-I759 HydrophobicContact CE1-CG1 4.38Å; F755-I759 HydrophobicContact CE2-CD1 4.31Å; F755-I759 HydrophobicContact CZ-CD1 3.56Å; F755-I759 HydrophobicContact CZ-CG1 4.48Å; F755-I759 PolarHBondContact O-N 2.92Å |
| 756 | W | 68 | Low | 64.3 | Low | 141 Ų | 141 | 71 Ų | 71 | 53% | 0.534 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.5 | -35.6 | 176.6 | -79.8 | 103.3 | 0 | 0 | 0 | 112.3 | S752 I754 W758 I759 M760 | S752-W756 VanDerWaalsContact O-CB 3.31Å; S752-W756 WeakPolarHBondContact O-CB 3.48Å; S752-W756 PolarHBondContact O-N 2.91Å; I754-W756 PolarHBondContact O-N 3.1Å; W756-W758 VanDerWaalsContact C-N 3.28Å; W756-W758 PolarHBondContact O-N 3.49Å; W756-I759 HydrophobicContact CE3-CG2 4.37Å; W756-I759 HydrophobicContact CZ3-CG2 4.38Å; W756-I759 PolarHBondContact O-N 3.29Å; W756-M760 HydrophobicContact CE3-CG 4.46Å; W756-M760 WeakPolarHBondContact O-CB 3.46Å; W756-M760 WeakPolarHBondContact O-CG 3.37Å; W756-M760 PolarHBondContact O-N 2.93Å |
| 757 | G | 65.8 | Low | 64.5 | Low | 28 Ų | 28 | 70.8 Ų | 70.8 | 29% | 0.289 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -53.5 | -47.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A753 I754 T761 | A753-G757 WeakPolarHBondContact O-CA 3.49Å; A753-G757 PolarHBondContact O-N 3.01Å; I754-G757 PolarHBondContact O-N 2.79Å; G757-T761 VanDerWaalsContact O-CB 3.29Å; G757-T761 WeakPolarHBondContact O-CB 3.29Å; G757-T761 WeakPolarHBondContact O-CG2 3.34Å; G757-T761 PolarHBondContact O-N 2.59Å; G757-T761 PolarHBondContact O-OG1 3.2Å |
| 758 | W | 63.1 | Low | 64.8 | Low | 121 Ų | 121 | 68.8 Ų | 68.8 | 46% | 0.458 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70 | -43.4 | 178.4 | -84.1 | 71.1 | 0 | 0 | 0 | 113.8 | L727 I754 F755 W756 M760 T761 V762 F763 | L727-W758 HydrophobicContact CD2-CH2 3.79Å; L727-W758 HydrophobicContact CD2-CZ3 4.09Å; I754-W758 VanDerWaalsContact O-CD1 3.23Å; I754-W758 PolarHBondContact O-N 2.87Å; F755-W758 PolarHBondContact O-N 2.95Å; W756-W758 VanDerWaalsContact C-N 3.28Å; W756-W758 PolarHBondContact O-N 3.49Å; W758-M760 PolarHBondContact O-N 3.41Å; W758-T761 PolarHBondContact O-N 2.79Å; W758-V762 HydrophobicContact CD2-CG2 4.15Å; W758-V762 HydrophobicContact CE3-CB 4.11Å; W758-V762 HydrophobicContact CE3-CG1 4.32Å; W758-V762 HydrophobicContact CE3-CG2 3.72Å; W758-V762 HydrophobicContact CZ3-CG1 4.46Å; W758-V762 HydrophobicContact CZ3-CG2 4.12Å; W758-V762 WeakPolarHBondContact O-CA 3.3Å; W758-V762 WeakPolarHBondContact O-CB 3.5Å; W758-V762 PolarHBondContact O-N 3.21Å; W758-F763 PolarHBondContact O-N 3.46Å; W758-F763 VanDerWaalsContact O-N 3.13Å |
| 759 | I | 64.6 | Low | 64.9 | Low | 55 Ų | 55 | 65.4 Ų | 65.4 | 28% | 0.282 | 35% | 0.354 | S | S | . | . | I | π-helix | trans | -56 | -44.4 | 175.3 | -73.3 | 177.1 | 0 | 0 | 0 | 110.3 | F755 W756 A764 | F755-I759 HydrophobicContact CD1-CD1 3.8Å; F755-I759 HydrophobicContact CE1-CD1 3.25Å; F755-I759 HydrophobicContact CE1-CG1 4.38Å; F755-I759 HydrophobicContact CE2-CD1 4.31Å; F755-I759 HydrophobicContact CZ-CD1 3.56Å; F755-I759 HydrophobicContact CZ-CG1 4.48Å; F755-I759 PolarHBondContact O-N 2.92Å; W756-I759 HydrophobicContact CE3-CG2 4.37Å; W756-I759 HydrophobicContact CZ3-CG2 4.38Å; W756-I759 PolarHBondContact O-N 3.29Å; I759-A764 WeakPolarHBondContact O-CB 3.01Å; I759-A764 PolarHBondContact O-N 3.19Å |
| 760 | M | 66.6 | Low | 64.9 | Low | 10 Ų | 10 | 64.4 Ų | 64.4 | 5% | 0.049 | 35% | 0.346 | C | S | . | . | I | π-helix | trans | -78.9 | -37.5 | -174.9 | -61.2 | -66.6 | -115.1 | 0 | 0 | 112.8 | W756 W758 V868 M869 I872 I899 F900 | W756-M760 HydrophobicContact CE3-CG 4.46Å; W756-M760 WeakPolarHBondContact O-CB 3.46Å; W756-M760 WeakPolarHBondContact O-CG 3.37Å; W756-M760 PolarHBondContact O-N 2.93Å; W758-M760 PolarHBondContact O-N 3.41Å; M760-V868 HydrophobicContact CE-CB 4.48Å; M760-V868 HydrophobicContact CE-CG1 3.4Å; M760-M869 HydrophobicContact CE-SD 4.4Å; M760-I872 HydrophobicContact CE-CD1 3.84Å; M760-I899 HydrophobicContact CB-CG2 4.32Å; M760-I899 HydrophobicContact SD-CG2 3.77Å; M760-F900 HydrophobicContact CE-CE2 3.68Å; M760-F900 HydrophobicContact CE-CZ 4.17Å; M760-F900 HydrophobicContact SD-CE2 3.85Å; M760-F900 HydrophobicContact SD-CZ 4.33Å |
| 761 | T | 65.2 | Low | 65.3 | Low | 68 Ų | 68 | 63.4 Ų | 63.4 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -94.6 | -28.6 | -174.2 | 60.3 | 0 | 0 | 0 | 0 | 114.3 | G757 W758 L765 | G757-T761 VanDerWaalsContact O-CB 3.29Å; G757-T761 WeakPolarHBondContact O-CB 3.29Å; G757-T761 WeakPolarHBondContact O-CG2 3.34Å; G757-T761 PolarHBondContact O-N 2.59Å; G757-T761 PolarHBondContact O-OG1 3.2Å; W758-T761 PolarHBondContact O-N 2.79Å; T761-L765 VanDerWaalsContact O-CD1 3.26Å; T761-L765 WeakPolarHBondContact O-CD1 3.06Å |
| 762 | V | 63 | Low | 65.4 | Low | 69 Ų | 69 | 65.5 Ų | 65.5 | 42% | 0.418 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -107.8 | -60.1 | -177.3 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | W758 S766 | W758-V762 HydrophobicContact CD2-CG2 4.15Å; W758-V762 HydrophobicContact CE3-CB 4.11Å; W758-V762 HydrophobicContact CE3-CG1 4.32Å; W758-V762 HydrophobicContact CE3-CG2 3.72Å; W758-V762 HydrophobicContact CZ3-CG1 4.46Å; W758-V762 HydrophobicContact CZ3-CG2 4.12Å; W758-V762 WeakPolarHBondContact O-CA 3.3Å; W758-V762 WeakPolarHBondContact O-CB 3.5Å; W758-V762 PolarHBondContact O-N 3.21Å; V762-S766 WeakPolarHBondContact O-CB 3.18Å; V762-S766 PolarHBondContact O-N 3.5Å; V762-S766 PolarHBondContact O-OG 3.18Å; V762-S766 VanDerWaalsContact O-OG 3.12Å |
| 763 | F | 60.6 | Low | 65.3 | Low | 131 Ų | 131 | 70.9 Ų | 70.9 | 58% | 0.575 | 37% | 0.37 | S | S | * | . | I | π-helix | trans | -67.7 | -46.4 | -171.7 | -168.8 | -96 | 0 | 0 | 0 | 112.2 | W758 S766 H767 | W758-F763 PolarHBondContact O-N 3.46Å; W758-F763 VanDerWaalsContact O-N 3.13Å; F763-S766 PolarHBondContact O-OG 3.07Å; F763-H767 AromaticContact CD1-CE1 3.88Å; F763-H767 AromaticContact CE1-CE1 3.51Å; F763-H767 AromaticContact CZ-CE1 3.71Å; F763-H767 PolarHBondContact O-CE1 2.85Å; F763-H767 PolarHBondContact O-ND1 3.26Å |
| 764 | A | 65.7 | Low | 65 | Low | 10 Ų | 10 | 69.5 Ų | 69.5 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I759 I899 A902 | I759-A764 WeakPolarHBondContact O-CB 3.01Å; I759-A764 PolarHBondContact O-N 3.19Å; A764-I899 HydrophobicContact CB-CB 4.26Å; A764-I899 HydrophobicContact CB-CG2 3.51Å; A764-I899 VanDerWaalsContact CB-O 3.32Å; A764-I899 WeakPolarHBondContact CB-O 3.12Å; A764-A902 WeakPolarHBondContact O-CB 3.44Å |
| 765 | L | 68.8 | Low | 64.4 | Low | 46 Ų | 46 | 69.7 Ų | 69.7 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -77 | -31.6 | -178.9 | -84.9 | 146.6 | 0 | 0 | 0 | 113.5 | T761 H767 A768 I895 I899 | T761-L765 VanDerWaalsContact O-CD1 3.26Å; T761-L765 WeakPolarHBondContact O-CD1 3.06Å; L765-H767 PolarHBondContact O-N 2.93Å; L765-A768 WeakPolarHBondContact O-CB 3.41Å; L765-A768 PolarHBondContact O-N 3.44Å; L765-I895 HydrophobicContact CD1-CD1 3.76Å; L765-I895 HydrophobicContact CD2-CB 4.37Å; L765-I895 HydrophobicContact CD2-CD1 4.19Å; L765-I899 HydrophobicContact CD1-CG1 4.3Å; L765-I899 HydrophobicContact CG-CG1 4.43Å |
| 766 | S | 65.3 | Low | 63.9 | Low | 54 Ų | 54 | 68.4 Ų | 68.4 | 38% | 0.378 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.4 | -24.4 | 179.3 | 65.6 | 0 | 0 | 0 | 0 | 113 | V762 F763 A768 A769 W770 | V762-S766 WeakPolarHBondContact O-CB 3.18Å; V762-S766 PolarHBondContact O-N 3.5Å; V762-S766 PolarHBondContact O-OG 3.18Å; V762-S766 VanDerWaalsContact O-OG 3.12Å; F763-S766 PolarHBondContact O-OG 3.07Å; S766-A768 VanDerWaalsContact C-N 3.29Å; S766-A768 PolarHBondContact O-N 3.17Å; S766-A769 CarbonylContact O-C 3.58Å; S766-A769 WeakPolarHBondContact O-CB 3.45Å; S766-A769 PolarHBondContact O-N 2.69Å; S766-A769 VanDerWaalsContact O-N 3.11Å; S766-W770 PolarHBondContact O-N 3.21Å |
| 767 | H | 66.7 | Low | 63 | Low | 36 Ų | 36 | 64.2 Ų | 64.2 | 17% | 0.167 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.4 | -31.1 | 173.4 | -71.9 | 77.6 | 0 | 0 | 0 | 112.5 | F763 L765 A769 W770 L771 A902 | F763-H767 AromaticContact CD1-CE1 3.88Å; F763-H767 AromaticContact CE1-CE1 3.51Å; F763-H767 AromaticContact CZ-CE1 3.71Å; F763-H767 PolarHBondContact O-CE1 2.85Å; F763-H767 PolarHBondContact O-ND1 3.26Å; L765-H767 PolarHBondContact O-N 2.93Å; H767-A769 VanDerWaalsContact C-N 3.34Å; H767-W770 WeakPolarHBondContact O-CB 3.48Å; H767-W770 PolarHBondContact O-N 2.84Å; H767-L771 PolarHBondContact O-N 2.98Å; H767-L771 VanDerWaalsContact O-N 3.12Å; H767-A902 HydrophobicContact CB-CB 3.72Å |
| 768 | A | 70 | Confident | 62.3 | Low | 26 Ų | 26 | 66.2 Ų | 66.2 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.8 | -34.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L765 S766 L771 V786 A902 | L765-A768 WeakPolarHBondContact O-CB 3.41Å; L765-A768 PolarHBondContact O-N 3.44Å; S766-A768 VanDerWaalsContact C-N 3.29Å; S766-A768 PolarHBondContact O-N 3.17Å; A768-L771 WeakPolarHBondContact O-CB 3.28Å; A768-L771 PolarHBondContact O-N 3.27Å; A768-V786 WeakPolarHBondContact O-CG2 3.13Å; A768-A902 HydrophobicContact CB-CB 4.44Å |
| 769 | A | 66.1 | Low | 61.8 | Low | 56 Ų | 56 | 68.2 Ų | 68.2 | 46% | 0.463 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.6 | -34.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S766 H767 L771 L772 | S766-A769 CarbonylContact O-C 3.58Å; S766-A769 WeakPolarHBondContact O-CB 3.45Å; S766-A769 PolarHBondContact O-N 2.69Å; S766-A769 VanDerWaalsContact O-N 3.11Å; H767-A769 VanDerWaalsContact C-N 3.34Å; A769-L771 VanDerWaalsContact C-N 3.3Å; A769-L771 PolarHBondContact O-N 2.92Å; A769-L772 VanDerWaalsContact O-CB 3.27Å; A769-L772 WeakPolarHBondContact O-CB 3.39Å; A769-L772 PolarHBondContact O-N 2.73Å |
| 770 | W | 64.1 | Low | 61.5 | Low | 100 Ų | 100 | 68 Ų | 68 | 38% | 0.379 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.9 | -34.6 | 174.1 | -174.3 | 55.9 | 0 | 0 | 0 | 112.5 | S766 H767 L772 M773 L774 P904 | S766-W770 PolarHBondContact O-N 3.21Å; H767-W770 WeakPolarHBondContact O-CB 3.48Å; H767-W770 PolarHBondContact O-N 2.84Å; W770-L772 PolarHBondContact O-N 3.5Å; W770-M773 PolarHBondContact O-N 3.04Å; W770-L774 PolarHBondContact O-N 3.39Å; W770-P904 WeakPolarHBondContact CZ3-O 3.08Å |
| 771 | L | 69.1 | Low | 61.1 | Low | 24 Ų | 24 | 68 Ų | 68 | 13% | 0.126 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.6 | -29.5 | 171.2 | -68 | 175.8 | 0 | 0 | 0 | 112.6 | H767 A768 A769 M773 L774 G782 V786 L789 | H767-L771 PolarHBondContact O-N 2.98Å; H767-L771 VanDerWaalsContact O-N 3.12Å; A768-L771 WeakPolarHBondContact O-CB 3.28Å; A768-L771 PolarHBondContact O-N 3.27Å; A769-L771 VanDerWaalsContact C-N 3.3Å; A769-L771 PolarHBondContact O-N 2.92Å; L771-M773 VanDerWaalsContact C-N 3.32Å; L771-L774 HydrophobicContact CD2-CD1 3.67Å; L771-L774 PolarHBondContact O-N 3.05Å; L771-G782 CarbonylContact O-C 3.59Å; L771-G782 WeakPolarHBondContact O-CA 3.43Å; L771-V786 HydrophobicContact CB-CG2 3.6Å; L771-V786 HydrophobicContact CD1-CG2 4.24Å; L771-L789 HydrophobicContact CD1-CD2 3.9Å |
| 772 | L | 67.6 | Low | 61.1 | Low | 99 Ų | 99 | 64.8 Ų | 64.8 | 52% | 0.518 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -72 | -25 | 175.3 | -62.1 | 170.7 | 0 | 0 | 0 | 113 | A769 W770 A783 V786 | A769-L772 VanDerWaalsContact O-CB 3.27Å; A769-L772 WeakPolarHBondContact O-CB 3.39Å; A769-L772 PolarHBondContact O-N 2.73Å; W770-L772 PolarHBondContact O-N 3.5Å; L772-A783 HydrophobicContact CD2-CB 4.3Å; L772-V786 HydrophobicContact CD2-CB 4.29Å; L772-V786 HydrophobicContact CD2-CG2 3.77Å; L772-V786 HydrophobicContact CG-CG2 4Å |
| 773 | M | 59.7 | Low | 61.6 | Low | 157 Ų | 157 | 64.6 Ų | 64.6 | 77% | 0.773 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -87.6 | -5.9 | 178.8 | -58 | -162.8 | 104.9 | 0 | 0 | 112.9 | W770 L771 | W770-M773 PolarHBondContact O-N 3.04Å; L771-M773 VanDerWaalsContact C-N 3.32Å |
| 774 | L | 59 | Low | 62.5 | Low | 24 Ų | 24 | 60.4 Ų | 60.4 | 13% | 0.126 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -60.8 | 124.2 | 173.2 | -69.3 | 174.1 | 0 | 0 | 0 | 109.1 | W770 L771 T776 L785 | W770-L774 PolarHBondContact O-N 3.39Å; L771-L774 HydrophobicContact CD2-CD1 3.67Å; L771-L774 PolarHBondContact O-N 3.05Å; L774-T776 PolarHBondContact O-N 2.93Å; L774-L785 HydrophobicContact CD1-CD1 3.86Å |
| 775 | P | 50.2 | Low | 63.1 | Low | 80 Ų | 80 | 61.1 Ų | 61.1 | 52% | 0.519 | 35% | 0.348 | S | S | . | . | trans | -57.4 | 122.5 | -173.9 | 19.1 | -29.4 | 0 | 0 | 0 | 111 | T777 | P775-T777 PolarHBondContact O-N 3.44Š| ||
| 776 | T | 52.7 | Low | 63.7 | Low | 101 Ų | 101 | 60.1 Ų | 60.1 | 62% | 0.62 | 34% | 0.343 | S | S | * | . | trans | -79.1 | 101.2 | -176.3 | 57.1 | 0 | 0 | 0 | 0 | 110.3 | L774 | L774-T776 PolarHBondContact O-N 2.93Š| ||
| 777 | T | 49.5 | Very low | 64.7 | Low | 54 Ų | 54 | 61.6 Ų | 61.6 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | trans | -98.7 | -37 | 178.2 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | P775 V927 D928 | P775-T777 PolarHBondContact O-N 3.44Å; T777-V927 HydrophobicContact CG2-CB 4.28Å; T777-V927 HydrophobicContact CG2-CG1 3.19Å; T777-D928 WeakPolarHBondContact CB-OD1 3.45Å | ||
| 778 | N | 51.6 | Low | 65.6 | Low | 70 Ų | 70 | 60.3 Ų | 60.3 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -106.5 | 164.5 | 173.1 | -109.7 | -34.3 | 0 | 0 | 0 | 113.1 | Q780 G781 D928 | N778-Q780 CarbonylContact O-C 3.56Å; N778-Q780 PolarHBondContact O-N 3.19Å; N778-G781 PolarHBondContact O-N 3.24Å; N778-D928 PolarHBondContact ND2-O 2.97Å |
| 779 | I | 52.3 | Low | 66.5 | Low | 163 Ų | 163 | 59.7 Ų | 59.7 | 84% | 0.836 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -50.9 | -28 | 172.2 | -57.2 | 172.5 | 0 | 0 | 0 | 110.7 | G781 L784 | I779-G781 PolarHBondContact O-N 2.97Å; I779-G781 VanDerWaalsContact O-N 3.15Å; I779-L784 WeakPolarHBondContact O-CD1 3.37Å |
| 780 | Q | 57.2 | Low | 67.5 | Low | 49 Ų | 49 | 60.2 Ų | 60.2 | 23% | 0.229 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -82.7 | 47.5 | 172.4 | -57.9 | 173.5 | -20.7 | 0 | 0 | 113.7 | N778 L784 P841 L842 T844 | N778-Q780 CarbonylContact O-C 3.56Å; N778-Q780 PolarHBondContact O-N 3.19Å; Q780-L784 HydrophobicContact CB-CD1 4.15Å; Q780-L784 HydrophobicContact CG-CD1 3.94Å; Q780-P841 PolarHBondContact NE2-O 3.17Å; Q780-L842 PolarHBondContact NE2-O 3.49Å; Q780-T844 PolarHBondContact OE1-O 2.79Å |
| 781 | G | 58.2 | Low | 68.6 | Low | 10 Ų | 10 | 56.9 Ų | 56.9 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | trans | -69.7 | -175.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N778 I779 A783 L784 L785 | N778-G781 PolarHBondContact O-N 3.24Å; I779-G781 PolarHBondContact O-N 2.97Å; I779-G781 VanDerWaalsContact O-N 3.15Å; G781-A783 PolarHBondContact O-N 3.46Å; G781-L784 PolarHBondContact O-N 3.27Å; G781-L785 PolarHBondContact O-N 3.17Å | ||
| 782 | G | 66.1 | Low | 69.6 | Low | 2 Ų | 2 | 55.8 Ų | 55.8 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -45.3 | -38.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L771 L784 L785 V786 | L771-G782 CarbonylContact O-C 3.59Å; L771-G782 WeakPolarHBondContact O-CA 3.43Å; G782-L784 PolarHBondContact O-N 3.47Å; G782-L785 PolarHBondContact O-N 3.4Å; G782-V786 WeakPolarHBondContact O-CG2 3.32Å; G782-V786 PolarHBondContact O-N 3.01Å; G782-V786 VanDerWaalsContact O-N 3.07Å |
| 783 | A | 72.5 | Confident | 70.6 | Confident | 64 Ų | 64 | 51 Ų | 51 | 53% | 0.529 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.2 | -36.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | L772 G781 V786 L787 | L772-A783 HydrophobicContact CD2-CB 4.3Å; G781-A783 PolarHBondContact O-N 3.46Å; A783-V786 PolarHBondContact O-N 2.93Å; A783-L787 PolarHBondContact O-N 3.16Å |
| 784 | L | 80.1 | Confident | 72 | Confident | 44 Ų | 44 | 46.1 Ų | 46.1 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -76.3 | -30.3 | 177.1 | -63 | -162.3 | 0 | 0 | 0 | 112.2 | I779 Q780 G781 G782 V786 L787 F788 L843 | I779-L784 WeakPolarHBondContact O-CD1 3.37Å; Q780-L784 HydrophobicContact CB-CD1 4.15Å; Q780-L784 HydrophobicContact CG-CD1 3.94Å; G781-L784 PolarHBondContact O-N 3.27Å; G782-L784 PolarHBondContact O-N 3.47Å; L784-V786 VanDerWaalsContact C-N 3.33Å; L784-L787 HydrophobicContact CD2-CD2 4.26Å; L784-L787 CarbonylContact O-C 3.59Å; L784-L787 WeakPolarHBondContact O-CB 3.42Å; L784-L787 PolarHBondContact O-N 2.72Å; L784-F788 WeakPolarHBondContact O-CB 3.32Å; L784-F788 PolarHBondContact O-N 3.19Å; L784-L843 CarbonylContact C-O 3.51Å; L784-L843 WeakPolarHBondContact CB-O 3.06Å |
| 785 | L | 79.3 | Confident | 73.4 | Confident | 25 Ų | 25 | 47.2 Ų | 47.2 | 13% | 0.131 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 169.8 | -72.8 | 172.9 | 0 | 0 | 0 | 111 | L774 G781 G782 L787 F788 L789 T844 | L774-L785 HydrophobicContact CD1-CD1 3.86Å; G781-L785 PolarHBondContact O-N 3.17Å; G782-L785 PolarHBondContact O-N 3.4Å; L785-L787 VanDerWaalsContact C-N 3.34Å; L785-F788 PolarHBondContact O-N 3.18Å; L785-L789 WeakPolarHBondContact O-CB 3.45Å; L785-L789 PolarHBondContact O-N 3.37Å; L785-T844 HydrophobicContact CD2-CG2 3.91Å |
| 786 | V | 80.8 | Confident | 75.3 | Confident | 24 Ų | 24 | 43.4 Ų | 43.4 | 15% | 0.145 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 171.7 | 173 | 0 | 0 | 0 | 0 | 110.6 | A768 L771 L772 G782 A783 L784 F788 L789 L790 | A768-V786 WeakPolarHBondContact O-CG2 3.13Å; L771-V786 HydrophobicContact CB-CG2 3.6Å; L771-V786 HydrophobicContact CD1-CG2 4.24Å; L772-V786 HydrophobicContact CD2-CB 4.29Å; L772-V786 HydrophobicContact CD2-CG2 3.77Å; L772-V786 HydrophobicContact CG-CG2 4Å; G782-V786 WeakPolarHBondContact O-CG2 3.32Å; G782-V786 PolarHBondContact O-N 3.01Å; G782-V786 VanDerWaalsContact O-N 3.07Å; A783-V786 PolarHBondContact O-N 2.93Å; L784-V786 VanDerWaalsContact C-N 3.33Å; V786-F788 PolarHBondContact O-N 2.77Å; V786-L789 PolarHBondContact O-N 3.23Å; V786-L790 HydrophobicContact CG1-CD1 3.71Å; V786-L790 HydrophobicContact CG1-CG 4.23Å; V786-L790 WeakPolarHBondContact O-CB 3.38Å; V786-L790 WeakPolarHBondContact O-CG 3.46Å; V786-L790 PolarHBondContact O-N 3.18Å |
| 787 | L | 85 | Confident | 76.9 | Confident | 85 Ų | 85 | 39.7 Ų | 39.7 | 45% | 0.445 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 176.8 | -172.4 | 65.9 | 0 | 0 | 0 | 112.5 | A783 L784 L785 A791 L843 | A783-L787 PolarHBondContact O-N 3.16Å; L784-L787 HydrophobicContact CD2-CD2 4.26Å; L784-L787 CarbonylContact O-C 3.59Å; L784-L787 WeakPolarHBondContact O-CB 3.42Å; L784-L787 PolarHBondContact O-N 2.72Å; L785-L787 VanDerWaalsContact C-N 3.34Å; L787-A791 WeakPolarHBondContact O-CB 3.37Å; L787-A791 PolarHBondContact O-N 2.65Å; L787-L843 HydrophobicContact CD2-CD1 4.27Å; L787-L843 HydrophobicContact CD2-CD2 3.88Å; L787-L843 HydrophobicContact CG-CD1 4.18Å |
| 788 | F | 87.6 | Confident | 78.7 | Confident | 9 Ų | 9 | 41.9 Ų | 41.9 | 4% | 0.039 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -48.1 | 175.9 | 173.6 | -101.3 | 0 | 0 | 0 | 111.9 | L784 L785 V786 A791 L792 S836 I839 G840 L843 T844 L846 A854 I858 | L784-F788 WeakPolarHBondContact O-CB 3.32Å; L784-F788 PolarHBondContact O-N 3.19Å; L785-F788 PolarHBondContact O-N 3.18Å; V786-F788 PolarHBondContact O-N 2.77Å; F788-A791 PolarHBondContact O-N 2.97Å; F788-L792 HydrophobicContact CD1-CD1 4.19Å; F788-L792 HydrophobicContact CD2-CD1 4.05Å; F788-L792 HydrophobicContact CD2-CG 4.25Å; F788-L792 HydrophobicContact CE1-CD1 3.62Å; F788-L792 HydrophobicContact CE2-CD1 3.45Å; F788-L792 VanDerWaalsContact CE2-CD1 3.45Å; F788-L792 HydrophobicContact CE2-CG 4.05Å; F788-L792 HydrophobicContact CG-CD1 4.41Å; F788-L792 HydrophobicContact CZ-CD1 3.24Å; F788-L792 HydrophobicContact CZ-CG 4.27Å; F788-L792 WeakPolarHBondContact O-CB 3.47Å; F788-L792 WeakPolarHBondContact O-CG 3.09Å; F788-L792 PolarHBondContact O-N 3.27Å; F788-S836 VanDerWaalsContact CZ-OG 3.27Å; F788-S836 WeakPolarHBondContact CZ-OG 3.48Å; F788-I839 HydrophobicContact CD2-CD1 4.2Å; F788-I839 HydrophobicContact CD2-CG1 3.94Å; F788-I839 HydrophobicContact CE2-CG1 4.08Å; F788-G840 VanDerWaalsContact CE2-CA 3.47Å; F788-L843 HydrophobicContact CB-CB 3.93Å; F788-L843 HydrophobicContact CB-CD1 4.28Å; F788-L843 HydrophobicContact CD2-CB 4.35Å; F788-T844 HydrophobicContact CB-CG2 3.33Å; F788-T844 HydrophobicContact CD1-CG2 3.44Å; F788-T844 VanDerWaalsContact CD1-CG2 3.44Å; F788-T844 HydrophobicContact CD2-CG2 3.4Å; F788-T844 VanDerWaalsContact CD2-CG2 3.4Å; F788-T844 HydrophobicContact CE1-CG2 3.94Å; F788-T844 HydrophobicContact CE2-CG2 3.92Å; F788-T844 HydrophobicContact CG-CG2 3.1Å; F788-T844 HydrophobicContact CZ-CG2 4.14Å; F788-L846 HydrophobicContact CE1-CD1 3.8Å; F788-L846 HydrophobicContact CZ-CD1 3.94Å; F788-A854 HydrophobicContact CE1-CB 4.06Å; F788-A854 HydrophobicContact CZ-CB 4.19Å; F788-I858 HydrophobicContact CE1-CD1 4.06Å |
| 789 | L | 87.8 | Confident | 80.6 | Confident | 14 Ų | 14 | 38.9 Ų | 38.9 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.4 | -51.8 | 175.8 | -178.8 | 66.4 | 0 | 0 | 0 | 110.5 | L771 L785 V786 T793 I858 L898 | L771-L789 HydrophobicContact CD1-CD2 3.9Å; L785-L789 WeakPolarHBondContact O-CB 3.45Å; L785-L789 PolarHBondContact O-N 3.37Å; V786-L789 PolarHBondContact O-N 3.23Å; L789-T793 VanDerWaalsContact O-CB 3.25Å; L789-T793 WeakPolarHBondContact O-CB 3.27Å; L789-T793 PolarHBondContact O-N 3.47Å; L789-T793 PolarHBondContact O-OG1 2.72Å; L789-I858 HydrophobicContact CD1-CD1 4.11Å; L789-I858 HydrophobicContact CD1-CG1 4.21Å; L789-L898 HydrophobicContact CD2-CD2 4.49Å; L789-L898 HydrophobicContact CG-CD2 4.18Å |
| 790 | L | 86.8 | Confident | 82.3 | Confident | 67 Ų | 67 | 31.3 Ų | 31.3 | 35% | 0.351 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.1 | -47.7 | 178.4 | -69.6 | 172.4 | 0 | 0 | 0 | 111.8 | V786 L792 T793 E794 L898 | V786-L790 HydrophobicContact CG1-CD1 3.71Å; V786-L790 HydrophobicContact CG1-CG 4.23Å; V786-L790 WeakPolarHBondContact O-CB 3.38Å; V786-L790 WeakPolarHBondContact O-CG 3.46Å; V786-L790 PolarHBondContact O-N 3.18Å; L790-L792 PolarHBondContact O-N 3.41Å; L790-T793 PolarHBondContact O-N 2.82Å; L790-E794 WeakPolarHBondContact O-CB 3.29Å; L790-E794 WeakPolarHBondContact O-CG 3.34Å; L790-E794 PolarHBondContact O-N 3.23Å; L790-L898 HydrophobicContact CD2-CD1 3.36Å; L790-L898 HydrophobicContact CD2-CD2 3.8Å; L790-L898 HydrophobicContact CD2-CG 4.23Å |
| 791 | A | 87.9 | Confident | 83.7 | Confident | 30 Ų | 30 | 35.9 Ų | 35.9 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -43.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L787 F788 S795 I839 | L787-A791 WeakPolarHBondContact O-CB 3.37Å; L787-A791 PolarHBondContact O-N 2.65Å; F788-A791 PolarHBondContact O-N 2.97Å; A791-S795 WeakPolarHBondContact O-CB 3.47Å; A791-S795 PolarHBondContact O-N 2.85Å; A791-S795 PolarHBondContact O-OG 3.26Å; A791-I839 HydrophobicContact CB-CD1 3.93Å |
| 792 | L | 90.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.1 | -43.3 | 177.9 | -70 | -171.3 | 0 | 0 | 0 | 112.1 | F788 L790 S795 N796 I832 A835 I839 I858 | F788-L792 HydrophobicContact CD1-CD1 4.19Å; F788-L792 HydrophobicContact CD2-CD1 4.05Å; F788-L792 HydrophobicContact CD2-CG 4.25Å; F788-L792 HydrophobicContact CE1-CD1 3.62Å; F788-L792 HydrophobicContact CE2-CD1 3.45Å; F788-L792 VanDerWaalsContact CE2-CD1 3.45Å; F788-L792 HydrophobicContact CE2-CG 4.05Å; F788-L792 HydrophobicContact CG-CD1 4.41Å; F788-L792 HydrophobicContact CZ-CD1 3.24Å; F788-L792 HydrophobicContact CZ-CG 4.27Å; F788-L792 WeakPolarHBondContact O-CB 3.47Å; F788-L792 WeakPolarHBondContact O-CG 3.09Å; F788-L792 PolarHBondContact O-N 3.27Å; L790-L792 PolarHBondContact O-N 3.41Å; L792-S795 PolarHBondContact O-N 3.13Å; L792-N796 WeakPolarHBondContact O-CB 3.41Å; L792-N796 PolarHBondContact O-N 2.77Å; L792-I832 HydrophobicContact CB-CG2 3.95Å; L792-I832 HydrophobicContact CD1-CG2 4.29Å; L792-I832 HydrophobicContact CD2-CG2 4.04Å; L792-I832 HydrophobicContact CG-CG2 4.31Å; L792-I832 WeakPolarHBondContact O-CD1 3.42Å; L792-A835 HydrophobicContact CD2-CB 3.96Å; L792-I839 HydrophobicContact CD2-CD1 3.47Å; L792-I839 VanDerWaalsContact CD2-CD1 3.47Å; L792-I839 HydrophobicContact CD2-CG1 4.01Å; L792-I839 HydrophobicContact CG-CD1 3.96Å; L792-I858 HydrophobicContact CB-CD1 4.18Å; L792-I858 HydrophobicContact CB-CG2 3.9Å; L792-I858 HydrophobicContact CD1-CD1 3.74Å |
| 793 | T | 88.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.8 | -47.9 | 180 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | L789 L790 N796 D797 I858 L898 T901 | L789-T793 VanDerWaalsContact O-CB 3.25Å; L789-T793 WeakPolarHBondContact O-CB 3.27Å; L789-T793 PolarHBondContact O-N 3.47Å; L789-T793 PolarHBondContact O-OG1 2.72Å; L790-T793 PolarHBondContact O-N 2.82Å; T793-N796 WeakPolarHBondContact O-CB 3.46Å; T793-N796 PolarHBondContact O-N 3.18Å; T793-D797 PolarHBondContact O-N 3.29Å; T793-I858 VanDerWaalsContact OG1-CG2 3.31Å; T793-I858 WeakPolarHBondContact OG1-CG2 3.39Å; T793-L898 HydrophobicContact CG2-CD2 3.81Å; T793-L898 HydrophobicContact CG2-CG 3.96Å; T793-T901 HydrophobicContact CG2-CG2 4.36Å |
| 794 | E | 87.4 | Confident | 87.1 | Confident | 53 Ų | 53 | 42.9 Ų | 42.9 | 25% | 0.248 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69 | -38.7 | 178.7 | -69.3 | -73.8 | 179.6 | 0 | 0 | 112.1 | L790 N796 D797 I798 | L790-E794 WeakPolarHBondContact O-CB 3.29Å; L790-E794 WeakPolarHBondContact O-CG 3.34Å; L790-E794 PolarHBondContact O-N 3.23Å; E794-N796 PolarHBondContact O-N 2.81Å; E794-D797 PolarHBondContact O-N 3.21Å; E794-I798 WeakPolarHBondContact O-CG1 3.24Å; E794-I798 PolarHBondContact O-N 3.07Å |
| 795 | S | 88.7 | Confident | 87.5 | Confident | 47 Ų | 47 | 48 Ų | 48 | 33% | 0.329 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.1 | -32.7 | 173.6 | -64 | 0 | 0 | 0 | 0 | 111.4 | A791 L792 D797 I798 A799 I832 | A791-S795 WeakPolarHBondContact O-CB 3.47Å; A791-S795 PolarHBondContact O-N 2.85Å; A791-S795 PolarHBondContact O-OG 3.26Å; L792-S795 PolarHBondContact O-N 3.13Å; S795-D797 VanDerWaalsContact C-N 3.33Å; S795-I798 PolarHBondContact O-N 3.5Å; S795-A799 VanDerWaalsContact O-CB 3.26Å; S795-A799 WeakPolarHBondContact O-CB 3.44Å; S795-A799 PolarHBondContact O-N 2.72Å; S795-I832 VanDerWaalsContact CB-CD1 3.41Å |
| 796 | N | 91 | Very high | 87.9 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 178.7 | -170.4 | 27.5 | 0 | 0 | 0 | 109.4 | L792 T793 E794 I798 A799 Q800 I832 G859 | L792-N796 WeakPolarHBondContact O-CB 3.41Å; L792-N796 PolarHBondContact O-N 2.77Å; T793-N796 WeakPolarHBondContact O-CB 3.46Å; T793-N796 PolarHBondContact O-N 3.18Å; E794-N796 PolarHBondContact O-N 2.81Å; N796-I798 VanDerWaalsContact C-N 3.34Å; N796-I798 PolarHBondContact O-N 3.25Å; N796-A799 PolarHBondContact O-N 3.49Å; N796-Q800 VanDerWaalsContact CG-NE2 3.28Å; N796-Q800 PolarHBondContact ND2-NE2 3.24Å; N796-Q800 WeakPolarHBondContact O-CB 3.32Å; N796-Q800 VanDerWaalsContact O-CG 3.23Å; N796-Q800 WeakPolarHBondContact O-CG 3.48Å; N796-Q800 PolarHBondContact O-N 3.47Å; N796-Q800 PolarHBondContact OD1-NE2 3.08Å; N796-I832 VanDerWaalsContact CA-CG1 3.47Å; N796-I832 HydrophobicContact CB-CD1 4.2Å; N796-I832 HydrophobicContact CB-CG1 3.64Å; N796-I832 VanDerWaalsContact N-CD1 3.32Å; N796-G859 WeakPolarHBondContact ND2-CA 3.33Å; N796-G859 PolarHBondContact ND2-O 3.23Å |
| 797 | D | 85.8 | Confident | 88.2 | Confident | 23 Ų | 23 | 53.4 Ų | 53.4 | 12% | 0.123 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.8 | -40.1 | -179.1 | -75.3 | -34.6 | 0 | 0 | 0 | 112.2 | T793 E794 S795 Y801 K820 S897 | T793-D797 PolarHBondContact O-N 3.29Å; E794-D797 PolarHBondContact O-N 3.21Å; S795-D797 VanDerWaalsContact C-N 3.33Å; D797-Y801 WeakPolarHBondContact O-CB 3.32Å; D797-Y801 PolarHBondContact O-N 3.23Å; D797-Y801 VanDerWaalsContact O-N 3.08Å; D797-K820 IonicContact OD1-NZ 2.56Å; D797-S897 PolarHBondContact OD1-OG 3.19Å; D797-S897 WeakPolarHBondContact OD2-CB 3.38Å; D797-S897 PolarHBondContact OD2-OG 3.32Å |
| 798 | I | 88.3 | Confident | 87.9 | Confident | 101 Ų | 101 | 50.6 Ų | 50.6 | 52% | 0.518 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64 | -49.7 | 174.3 | -63.4 | 168.7 | 0 | 0 | 0 | 110.7 | E794 S795 N796 Q800 Y801 L802 | E794-I798 WeakPolarHBondContact O-CG1 3.24Å; E794-I798 PolarHBondContact O-N 3.07Å; S795-I798 PolarHBondContact O-N 3.5Å; N796-I798 VanDerWaalsContact C-N 3.34Å; N796-I798 PolarHBondContact O-N 3.25Å; I798-Q800 PolarHBondContact O-N 2.82Å; I798-Y801 WeakPolarHBondContact O-CB 3.47Å; I798-Y801 PolarHBondContact O-N 3.01Å; I798-L802 HydrophobicContact CG2-CD1 3.9Å; I798-L802 HydrophobicContact CG2-CG 4.34Å; I798-L802 WeakPolarHBondContact O-CG 3.39Å; I798-L802 PolarHBondContact O-N 3.35Å |
| 799 | A | 90.3 | Very high | 87.8 | Confident | 6 Ų | 6 | 61 Ų | 61 | 5% | 0.05 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S795 N796 Y801 L802 W803 T831 | S795-A799 VanDerWaalsContact O-CB 3.26Å; S795-A799 WeakPolarHBondContact O-CB 3.44Å; S795-A799 PolarHBondContact O-N 2.72Å; N796-A799 PolarHBondContact O-N 3.49Å; A799-Y801 VanDerWaalsContact C-N 3.29Å; A799-Y801 PolarHBondContact O-N 2.77Å; A799-L802 PolarHBondContact O-N 3.29Å; A799-W803 WeakPolarHBondContact O-CB 3.5Å; A799-W803 PolarHBondContact O-N 2.77Å; A799-T831 HydrophobicContact CB-CG2 3.74Å |
| 800 | Q | 88.8 | Confident | 87.8 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 2% | 0.023 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60 | -39.7 | 175 | -71.8 | -178.2 | 21.8 | 0 | 0 | 112.3 | N796 I798 G804 G824 | N796-Q800 VanDerWaalsContact CG-NE2 3.28Å; N796-Q800 PolarHBondContact ND2-NE2 3.24Å; N796-Q800 WeakPolarHBondContact O-CB 3.32Å; N796-Q800 VanDerWaalsContact O-CG 3.23Å; N796-Q800 WeakPolarHBondContact O-CG 3.48Å; N796-Q800 PolarHBondContact O-N 3.47Å; N796-Q800 PolarHBondContact OD1-NE2 3.08Å; I798-Q800 PolarHBondContact O-N 2.82Å; Q800-G804 WeakPolarHBondContact O-CA 3.5Å; Q800-G804 PolarHBondContact O-N 2.96Å; Q800-G824 WeakPolarHBondContact CA-O 3.49Å; Q800-G824 WeakPolarHBondContact O-CA 3.28Å |
| 801 | Y | 85.9 | Confident | 87.9 | Confident | 145 Ų | 145 | 69.8 Ų | 69.8 | 57% | 0.569 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.1 | -47.4 | 174.5 | 174.6 | -99 | 0 | 0 | 0 | 111.9 | D797 I798 A799 G804 K805 | D797-Y801 WeakPolarHBondContact O-CB 3.32Å; D797-Y801 PolarHBondContact O-N 3.23Å; D797-Y801 VanDerWaalsContact O-N 3.08Å; I798-Y801 WeakPolarHBondContact O-CB 3.47Å; I798-Y801 PolarHBondContact O-N 3.01Å; A799-Y801 VanDerWaalsContact C-N 3.29Å; A799-Y801 PolarHBondContact O-N 2.77Å; Y801-G804 PolarHBondContact O-N 3.3Å; Y801-K805 HydrophobicContact CE1-CD 4.22Å; Y801-K805 VanDerWaalsContact O-CB 3.29Å; Y801-K805 WeakPolarHBondContact O-CB 3.43Å; Y801-K805 PolarHBondContact O-N 2.72Å; Y801-K805 PolarHBondContact OH-NZ 2.52Å |
| 802 | L | 89.2 | Confident | 87.8 | Confident | 93 Ų | 93 | 70.9 Ų | 70.9 | 49% | 0.487 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.9 | -50 | -178.3 | -70.5 | 175 | 0 | 0 | 0 | 112.5 | I798 A799 G804 K805 S806 | I798-L802 HydrophobicContact CG2-CD1 3.9Å; I798-L802 HydrophobicContact CG2-CG 4.34Å; I798-L802 WeakPolarHBondContact O-CG 3.39Å; I798-L802 PolarHBondContact O-N 3.35Å; A799-L802 PolarHBondContact O-N 3.29Å; L802-G804 VanDerWaalsContact C-N 3.33Å; L802-K805 PolarHBondContact O-N 3.31Å; L802-S806 VanDerWaalsContact O-CB 3.31Å; L802-S806 WeakPolarHBondContact O-CB 3.27Å; L802-S806 PolarHBondContact O-N 3.39Å; L802-S806 PolarHBondContact O-OG 3.23Å |
| 803 | W | 92.3 | Very high | 87.5 | Confident | 117 Ų | 117 | 72.8 Ų | 72.8 | 44% | 0.443 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 176.8 | -74 | 112.7 | 0 | 0 | 0 | 111.5 | A799 K805 S806 C807 G808 G827 T831 | A799-W803 WeakPolarHBondContact O-CB 3.5Å; A799-W803 PolarHBondContact O-N 2.77Å; W803-K805 PolarHBondContact O-N 2.75Å; W803-S806 PolarHBondContact O-N 3.34Å; W803-C807 PolarHBondContact O-N 2.89Å; W803-G808 PolarHBondContact O-N 3.48Å; W803-G827 VanDerWaalsContact CD1-CA 3.47Å; W803-G827 PolarHBondContact NE1-O 2.95Å; W803-T831 PolarHBondContact NE1-OG1 3.01Å |
| 804 | G | 88 | Confident | 87.3 | Confident | 12 Ų | 12 | 76.6 Ų | 76.6 | 12% | 0.124 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.2 | -35.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q800 Y801 L802 G808 T821 | Q800-G804 WeakPolarHBondContact O-CA 3.5Å; Q800-G804 PolarHBondContact O-N 2.96Å; Y801-G804 PolarHBondContact O-N 3.3Å; L802-G804 VanDerWaalsContact C-N 3.33Å; G804-G808 WeakPolarHBondContact O-CA 3.2Å; G804-G808 PolarHBondContact O-N 3.49Å; G804-G808 VanDerWaalsContact O-N 3.13Å; G804-T821 WeakPolarHBondContact CA-OG1 3.43Å |
| 805 | K | 86.6 | Confident | 87 | Confident | 152 Ų | 152 | 83.7 Ų | 83.7 | 66% | 0.661 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -77.5 | -34 | 176.1 | -168 | 176.7 | -175.9 | 178.9 | 0 | 112.8 | Y801 L802 W803 | Y801-K805 HydrophobicContact CE1-CD 4.22Å; Y801-K805 VanDerWaalsContact O-CB 3.29Å; Y801-K805 WeakPolarHBondContact O-CB 3.43Å; Y801-K805 PolarHBondContact O-N 2.72Å; Y801-K805 PolarHBondContact OH-NZ 2.52Å; L802-K805 PolarHBondContact O-N 3.31Å; W803-K805 PolarHBondContact O-N 2.75Å |
| 806 | S | 87.8 | Confident | 86.7 | Confident | 94 Ų | 94 | 83.1 Ų | 83.1 | 66% | 0.657 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -83.5 | -39.4 | -175.6 | -53.2 | 0 | 0 | 0 | 0 | 113.2 | L802 W803 | L802-S806 VanDerWaalsContact O-CB 3.31Å; L802-S806 WeakPolarHBondContact O-CB 3.27Å; L802-S806 PolarHBondContact O-N 3.39Å; L802-S806 PolarHBondContact O-OG 3.23Å; W803-S806 PolarHBondContact O-N 3.34Å |
| 807 | C | 87.4 | Confident | 86.2 | Confident | 69 Ų | 69 | 84 Ų | 84 | 47% | 0.466 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -128.8 | -7.2 | -172.7 | -58.2 | 0 | 0 | 0 | 0 | 114.4 | W803 R809 | W803-C807 PolarHBondContact O-N 2.89Å; C807-R809 PolarHBondContact O-N 2.92Å |
| 808 | G | 78.9 | Confident | 86 | Confident | 26 Ų | 26 | 86.5 Ų | 86.5 | 27% | 0.268 | 43% | 0.428 | S | S | . | . | trans | -67 | 121 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | W803 G804 | W803-G808 PolarHBondContact O-N 3.48Å; G804-G808 WeakPolarHBondContact O-CA 3.2Å; G804-G808 PolarHBondContact O-N 3.49Å; G804-G808 VanDerWaalsContact O-N 3.13Å | ||
| 809 | R | 85.6 | Confident | 85.7 | Confident | 228 Ų | 228 | 84.4 Ų | 84.4 | 86% | 0.86 | 43% | 0.431 | S | S | * | . | trans | -121.9 | -33.7 | 174.9 | -63.2 | -176.3 | -174.9 | -175.8 | 1.7 | 112.1 | C807 E823 | C807-R809 PolarHBondContact O-N 2.92Å; R809-E823 PolarHBondContact N-OE2 2.97Å | ||
| 810 | R | 88.7 | Confident | 85.4 | Confident | 152 Ų | 152 | 85.7 Ų | 85.7 | 57% | 0.574 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -100.7 | 116.4 | -175.8 | -73.2 | 177.5 | -77.8 | -171.3 | -4.4 | 110.5 | T821 L822 E823 | R810-T821 CarbonylContact O-C 3.55Å; R810-T821 WeakPolarHBondContact O-CA 2.99Å; R810-T821 VanDerWaalsContact O-CB 3.31Å; R810-T821 WeakPolarHBondContact O-CB 3.33Å; R810-L822 HydrophobicContact CB-CB 4.18Å; R810-L822 PolarHBondContact O-N 3.39Å; R810-E823 IonicContact CZ-OE1 2.75Å; R810-E823 PolarHBondContact N-OE2 2.71Å; R810-E823 IonicContact NE-OE1 2.79Å; R810-E823 PolarHBondContact NE-OE1 2.99Å; R810-E823 IonicContact NH2-OE1 3.76Å; R810-E823 PolarHBondContact NH2-OE1 3.44Å |
| 811 | K | 87.6 | Confident | 85.5 | Confident | 113 Ų | 113 | 85.6 Ų | 85.6 | 49% | 0.491 | 44% | 0.435 | S | S | . | . | B | Isolated β-bridge | trans | -75.1 | 141.4 | 177.4 | -59.1 | -63.7 | -178.9 | 174.6 | 0 | 110.7 | P814 P818 T821 | K811-P814 HydrophobicContact CB-CB 4.19Å; K811-P814 HydrophobicContact CB-CG 4.45Å; K811-P818 VanDerWaalsContact CD-O 3.3Å; K811-P818 WeakPolarHBondContact CD-O 3.35Å; K811-P818 VanDerWaalsContact CE-O 3.29Å; K811-P818 WeakPolarHBondContact CE-O 3.3Å; K811-P818 PolarHBondContact NZ-O 3.23Å; K811-T821 HydrophobicContact CD-CG2 3.92Å |
| 812 | V | 85.8 | Confident | 85.7 | Confident | 53 Ų | 53 | 81.8 Ų | 81.8 | 32% | 0.321 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -89.5 | -55.6 | 179.9 | -173 | 0 | 0 | 0 | 0 | 111 | K820 T821 L822 F863 | V812-K820 PolarHBondContact N-O 3.43Å; V812-T821 VanDerWaalsContact CG2-C 3.45Å; V812-L822 HydrophobicContact CG2-CB 4.14Å; V812-L822 VanDerWaalsContact CG2-N 3.32Å; V812-F863 HydrophobicContact CB-CZ 4.1Å; V812-F863 HydrophobicContact CG1-CE1 4.12Å; V812-F863 HydrophobicContact CG1-CZ 3.78Å; V812-F863 HydrophobicContact CG2-CZ 4.33Å |
| 813 | V | 85.6 | Confident | 85.8 | Confident | 39 Ų | 39 | 78.8 Ų | 78.8 | 24% | 0.236 | 41% | 0.408 | C | S | . | . | trans | -130.8 | 68.9 | -177.8 | -76.1 | 0 | 0 | 0 | 0 | 111.3 | K815 V816 S817 V867 | V813-K815 PolarHBondContact O-N 3.32Å; V813-V816 HydrophobicContact CB-CB 4.29Å; V813-V816 HydrophobicContact CG2-CB 4.4Å; V813-V816 PolarHBondContact O-N 3.05Å; V813-S817 CarbonylContact O-C 3.6Å; V813-S817 PolarHBondContact O-N 2.94Å; V813-V867 HydrophobicContact CG1-CG1 4.24Å; V813-V867 HydrophobicContact CG2-CG1 4.07Å; V813-V867 HydrophobicContact CG2-CG2 4Å | ||
| 814 | P | 84 | Confident | 85.7 | Confident | 81 Ų | 81 | 73.3 Ų | 73.3 | 53% | 0.526 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.2 | -169 | 20.8 | -32 | 0 | 0 | 0 | 115.2 | K811 | K811-P814 HydrophobicContact CB-CB 4.19Å; K811-P814 HydrophobicContact CB-CG 4.45Å |
| 815 | K | 80.7 | Confident | 85.9 | Confident | 202 Ų | 202 | 74.2 Ų | 74.2 | 88% | 0.878 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -26.7 | 176.9 | -66.8 | -174 | 179 | -178 | 0 | 114 | V813 | V813-K815 PolarHBondContact O-N 3.32Š|
| 816 | V | 82.5 | Confident | 86.1 | Confident | 34 Ų | 34 | 71.5 Ų | 71.5 | 21% | 0.206 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -52.7 | -174.1 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | V813 A871 R874 | V813-V816 HydrophobicContact CB-CB 4.29Å; V813-V816 HydrophobicContact CG2-CB 4.4Å; V813-V816 PolarHBondContact O-N 3.05Å; V816-A871 HydrophobicContact CG1-CB 3.87Å; V816-A871 VanDerWaalsContact CG1-N 3.34Å; V816-A871 HydrophobicContact CG2-CB 4.36Å; V816-R874 PolarHBondContact O-NE 2.73Å; V816-R874 VanDerWaalsContact O-NE 3.1Å |
| 817 | S | 81.1 | Confident | 86.3 | Confident | 18 Ų | 18 | 67.5 Ų | 67.5 | 13% | 0.126 | 35% | 0.353 | C | S | . | . | trans | -135.6 | 83.8 | -178.3 | -168 | 0 | 0 | 0 | 0 | 110.3 | V813 G819 K820 | V813-S817 CarbonylContact O-C 3.6Å; V813-S817 PolarHBondContact O-N 2.94Å; S817-G819 PolarHBondContact O-N 3.5Å; S817-K820 PolarHBondContact O-N 3.42Å; S817-K820 VanDerWaalsContact O-N 3.17Å; S817-K820 WeakPolarHBondContact OG-CG 3.18Å | ||
| 818 | P | 79.8 | Confident | 86.5 | Confident | 77 Ų | 77 | 64.2 Ų | 64.2 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -14 | -174.5 | 23.3 | -32.8 | 0 | 0 | 0 | 114.1 | K811 | K811-P818 VanDerWaalsContact CD-O 3.3Å; K811-P818 WeakPolarHBondContact CD-O 3.35Å; K811-P818 VanDerWaalsContact CE-O 3.29Å; K811-P818 WeakPolarHBondContact CE-O 3.3Å; K811-P818 PolarHBondContact NZ-O 3.23Å |
| 819 | G | 82.3 | Confident | 87.2 | Confident | 56 Ų | 56 | 63.7 Ų | 63.7 | 58% | 0.577 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -33.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S817 | S817-G819 PolarHBondContact O-N 3.5Š|
| 820 | K | 84.9 | Confident | 87.5 | Confident | 33 Ų | 33 | 57.5 Ų | 57.5 | 14% | 0.143 | 31% | 0.306 | C | S | . | . | trans | -75.7 | 130.5 | -170.2 | -65.3 | -77.7 | 178.1 | 144.1 | 0 | 111.6 | D797 V812 S817 F863 D866 | D797-K820 IonicContact OD1-NZ 2.56Å; V812-K820 PolarHBondContact N-O 3.43Å; S817-K820 PolarHBondContact O-N 3.42Å; S817-K820 VanDerWaalsContact O-N 3.17Å; S817-K820 WeakPolarHBondContact OG-CG 3.18Å; K820-F863 HydrophobicContact CB-CE2 4.13Å; K820-F863 HydrophobicContact CD-CE2 4.09Å; K820-F863 HydrophobicContact CG-CE2 4.23Å; K820-D866 WeakPolarHBondContact CE-OD2 3.23Å; K820-D866 IonicContact NZ-OD2 3.83Å; K820-D866 PolarHBondContact NZ-OD2 2.89Å | ||
| 821 | T | 91.2 | Very high | 87.7 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -121.1 | 154.2 | -178.9 | 57 | 0 | 0 | 0 | 0 | 110.6 | G804 R810 K811 V812 E823 G824 L825 | G804-T821 WeakPolarHBondContact CA-OG1 3.43Å; R810-T821 CarbonylContact O-C 3.55Å; R810-T821 WeakPolarHBondContact O-CA 2.99Å; R810-T821 VanDerWaalsContact O-CB 3.31Å; R810-T821 WeakPolarHBondContact O-CB 3.33Å; K811-T821 HydrophobicContact CD-CG2 3.92Å; V812-T821 VanDerWaalsContact CG2-C 3.45Å; T821-E823 VanDerWaalsContact C-N 3.3Å; T821-E823 PolarHBondContact O-N 3.01Å; T821-G824 WeakPolarHBondContact O-CA 3.34Å; T821-G824 PolarHBondContact O-N 3.07Å; T821-G824 VanDerWaalsContact O-N 3.13Å; T821-G824 PolarHBondContact OG1-N 2.94Å; T821-G824 VanDerWaalsContact OG1-N 3.12Å; T821-L825 PolarHBondContact O-N 3Å |
| 822 | L | 89.5 | Confident | 88 | Confident | 64 Ų | 64 | 47 Ų | 47 | 34% | 0.335 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 179 | -174.5 | 69.3 | 0 | 0 | 0 | 110.5 | R810 V812 G824 L825 M826 | R810-L822 HydrophobicContact CB-CB 4.18Å; R810-L822 PolarHBondContact O-N 3.39Å; V812-L822 HydrophobicContact CG2-CB 4.14Å; V812-L822 VanDerWaalsContact CG2-N 3.32Å; L822-G824 VanDerWaalsContact C-N 3.3Å; L822-G824 PolarHBondContact O-N 3.17Å; L822-L825 PolarHBondContact O-N 3.29Å; L822-M826 WeakPolarHBondContact O-CG 3.13Å; L822-M826 PolarHBondContact O-N 3.41Å |
| 823 | E | 92.3 | Very high | 88.4 | Confident | 31 Ų | 31 | 46.7 Ų | 46.7 | 15% | 0.145 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 173.9 | -60.7 | 77.7 | -162.6 | 0 | 0 | 111.6 | R809 R810 T821 G827 | R809-E823 PolarHBondContact N-OE2 2.97Å; R810-E823 IonicContact CZ-OE1 2.75Å; R810-E823 PolarHBondContact N-OE2 2.71Å; R810-E823 IonicContact NE-OE1 2.79Å; R810-E823 PolarHBondContact NE-OE1 2.99Å; R810-E823 IonicContact NH2-OE1 3.76Å; R810-E823 PolarHBondContact NH2-OE1 3.44Å; T821-E823 VanDerWaalsContact C-N 3.3Å; T821-E823 PolarHBondContact O-N 3.01Å; E823-G827 PolarHBondContact O-N 2.85Å |
| 824 | G | 89.9 | Confident | 88.7 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.3 | -48.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q800 T821 L822 G827 G828 | Q800-G824 WeakPolarHBondContact CA-O 3.49Å; Q800-G824 WeakPolarHBondContact O-CA 3.28Å; T821-G824 WeakPolarHBondContact O-CA 3.34Å; T821-G824 PolarHBondContact O-N 3.07Å; T821-G824 VanDerWaalsContact O-N 3.13Å; T821-G824 PolarHBondContact OG1-N 2.94Å; T821-G824 VanDerWaalsContact OG1-N 3.12Å; L822-G824 VanDerWaalsContact C-N 3.3Å; L822-G824 PolarHBondContact O-N 3.17Å; G824-G827 PolarHBondContact O-N 3.23Å; G824-G828 PolarHBondContact O-N 3.27Å |
| 825 | L | 90.9 | Very high | 89 | Confident | 32 Ų | 32 | 46.3 Ų | 46.3 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.7 | -52.5 | 175.9 | 173.6 | 59 | 0 | 0 | 0 | 111.7 | T821 L822 G827 G828 V829 F863 | T821-L825 PolarHBondContact O-N 3Å; L822-L825 PolarHBondContact O-N 3.29Å; L825-G827 PolarHBondContact O-N 3.17Å; L825-G828 PolarHBondContact O-N 2.73Å; L825-V829 HydrophobicContact CD1-CG2 3.96Å; L825-V829 WeakPolarHBondContact O-CG2 3.47Å; L825-V829 PolarHBondContact O-N 3.46Å; L825-F863 HydrophobicContact CD1-CB 3.7Å; L825-F863 HydrophobicContact CD1-CD1 3.95Å; L825-F863 HydrophobicContact CD1-CD2 3.83Å; L825-F863 HydrophobicContact CD1-CE2 4.43Å; L825-F863 HydrophobicContact CD1-CG 3.54Å; L825-F863 HydrophobicContact CD2-CD1 4.06Å; L825-F863 HydrophobicContact CD2-CE1 4Å; L825-F863 HydrophobicContact CD2-CG 4.44Å; L825-F863 HydrophobicContact CD2-CZ 4.31Å |
| 826 | M | 92 | Very high | 89.6 | Confident | 95 Ų | 95 | 36.7 Ų | 36.7 | 47% | 0.468 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 179.3 | -68.8 | -168.5 | -53 | 0 | 0 | 111.5 | L822 G828 V829 I830 | L822-M826 WeakPolarHBondContact O-CG 3.13Å; L822-M826 PolarHBondContact O-N 3.41Å; M826-G828 VanDerWaalsContact C-N 3.35Å; M826-G828 PolarHBondContact O-N 3.43Å; M826-V829 PolarHBondContact O-N 3.45Å; M826-I830 WeakPolarHBondContact O-CB 3.42Å; M826-I830 WeakPolarHBondContact O-CD1 3.48Å; M826-I830 WeakPolarHBondContact O-CG1 3.4Å; M826-I830 PolarHBondContact O-N 3.38Å |
| 827 | G | 91.6 | Very high | 89.9 | Confident | 9 Ų | 9 | 37.9 Ų | 37.9 | 9% | 0.093 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W803 E823 G824 L825 T831 | W803-G827 VanDerWaalsContact CD1-CA 3.47Å; W803-G827 PolarHBondContact NE1-O 2.95Å; E823-G827 PolarHBondContact O-N 2.85Å; G824-G827 PolarHBondContact O-N 3.23Å; L825-G827 PolarHBondContact O-N 3.17Å; G827-T831 VanDerWaalsContact O-CB 3.3Å; G827-T831 WeakPolarHBondContact O-CB 3.42Å; G827-T831 PolarHBondContact O-N 3.33Å; G827-T831 PolarHBondContact O-OG1 3.16Å |
| 828 | G | 91.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61 | -54.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | G824 L825 M826 I830 T831 I832 | G824-G828 PolarHBondContact O-N 3.27Å; L825-G828 PolarHBondContact O-N 2.73Å; M826-G828 VanDerWaalsContact C-N 3.35Å; M826-G828 PolarHBondContact O-N 3.43Å; G828-I830 VanDerWaalsContact C-N 3.34Å; G828-I830 PolarHBondContact O-N 3.05Å; G828-T831 WeakPolarHBondContact O-CB 3.41Å; G828-T831 PolarHBondContact O-N 2.82Å; G828-I832 WeakPolarHBondContact O-CG1 3.34Å; G828-I832 PolarHBondContact O-N 3.11Å |
| 829 | V | 92.6 | Very high | 90.7 | Very high | 16 Ų | 16 | 40.5 Ų | 40.5 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.3 | -47.6 | 177.4 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | L825 M826 T831 I832 M833 L856 I860 | L825-V829 HydrophobicContact CD1-CG2 3.96Å; L825-V829 WeakPolarHBondContact O-CG2 3.47Å; L825-V829 PolarHBondContact O-N 3.46Å; M826-V829 PolarHBondContact O-N 3.45Å; V829-T831 VanDerWaalsContact C-N 3.33Å; V829-T831 PolarHBondContact O-N 3.29Å; V829-I832 PolarHBondContact O-N 3.5Å; V829-M833 HydrophobicContact CG1-CG 4.43Å; V829-M833 HydrophobicContact CG1-SD 3.91Å; V829-M833 VanDerWaalsContact O-CG 3.24Å; V829-M833 WeakPolarHBondContact O-CG 3.43Å; V829-M833 PolarHBondContact O-N 3.4Å; V829-L856 HydrophobicContact CG1-CD1 3.59Å; V829-I860 HydrophobicContact CG2-CG1 4.25Å |
| 830 | I | 93.7 | Very high | 90.7 | Very high | 98 Ų | 98 | 37.9 Ų | 37.9 | 50% | 0.503 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 177.4 | -68.6 | 166.2 | 0 | 0 | 0 | 110.9 | M826 G828 I832 M833 I834 | M826-I830 WeakPolarHBondContact O-CB 3.42Å; M826-I830 WeakPolarHBondContact O-CD1 3.48Å; M826-I830 WeakPolarHBondContact O-CG1 3.4Å; M826-I830 PolarHBondContact O-N 3.38Å; G828-I830 VanDerWaalsContact C-N 3.34Å; G828-I830 PolarHBondContact O-N 3.05Å; I830-I832 VanDerWaalsContact C-N 3.32Å; I830-I832 PolarHBondContact O-N 2.79Å; I830-M833 PolarHBondContact O-N 3.42Å; I830-I834 HydrophobicContact CG2-CD1 3.96Å; I830-I834 VanDerWaalsContact O-CG1 3.31Å; I830-I834 WeakPolarHBondContact O-CG1 3.35Å; I830-I834 PolarHBondContact O-N 3.08Å |
| 831 | T | 93.1 | Very high | 90.5 | Very high | 44 Ų | 44 | 39.8 Ų | 39.8 | 27% | 0.27 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 178.5 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | A799 W803 G827 G828 V829 I834 A835 | A799-T831 HydrophobicContact CB-CG2 3.74Å; W803-T831 PolarHBondContact NE1-OG1 3.01Å; G827-T831 VanDerWaalsContact O-CB 3.3Å; G827-T831 WeakPolarHBondContact O-CB 3.42Å; G827-T831 PolarHBondContact O-N 3.33Å; G827-T831 PolarHBondContact O-OG1 3.16Å; G828-T831 WeakPolarHBondContact O-CB 3.41Å; G828-T831 PolarHBondContact O-N 2.82Å; V829-T831 VanDerWaalsContact C-N 3.33Å; V829-T831 PolarHBondContact O-N 3.29Å; T831-I834 PolarHBondContact O-N 3.4Å; T831-A835 VanDerWaalsContact O-CB 3.29Å; T831-A835 WeakPolarHBondContact O-CB 3.34Å; T831-A835 PolarHBondContact O-N 3.01Å |
| 832 | I | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -76.7 | -33.4 | 179.4 | -62.5 | -48.1 | 0 | 0 | 0 | 112.9 | L792 S795 N796 G828 V829 I830 I834 A835 S836 G855 | L792-I832 HydrophobicContact CB-CG2 3.95Å; L792-I832 HydrophobicContact CD1-CG2 4.29Å; L792-I832 HydrophobicContact CD2-CG2 4.04Å; L792-I832 HydrophobicContact CG-CG2 4.31Å; L792-I832 WeakPolarHBondContact O-CD1 3.42Å; S795-I832 VanDerWaalsContact CB-CD1 3.41Å; N796-I832 VanDerWaalsContact CA-CG1 3.47Å; N796-I832 HydrophobicContact CB-CD1 4.2Å; N796-I832 HydrophobicContact CB-CG1 3.64Å; N796-I832 VanDerWaalsContact N-CD1 3.32Å; G828-I832 WeakPolarHBondContact O-CG1 3.34Å; G828-I832 PolarHBondContact O-N 3.11Å; V829-I832 PolarHBondContact O-N 3.5Å; I830-I832 VanDerWaalsContact C-N 3.32Å; I830-I832 PolarHBondContact O-N 2.79Å; I832-I834 VanDerWaalsContact C-N 3.31Å; I832-I834 PolarHBondContact O-N 3.21Å; I832-A835 HydrophobicContact CD1-CB 4.38Å; I832-A835 PolarHBondContact O-N 2.89Å; I832-S836 WeakPolarHBondContact O-CA 3.2Å; I832-S836 WeakPolarHBondContact O-CB 3.15Å; I832-S836 PolarHBondContact O-N 3.01Å; I832-G855 WeakPolarHBondContact CG2-O 3.41Å |
| 833 | M | 93.6 | Very high | 89.7 | Confident | 46 Ų | 46 | 43.9 Ų | 43.9 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.6 | -47.2 | 166.5 | -70.6 | 170.8 | 68 | 0 | 0 | 110.4 | V829 I830 L837 L852 L856 | V829-M833 HydrophobicContact CG1-CG 4.43Å; V829-M833 HydrophobicContact CG1-SD 3.91Å; V829-M833 VanDerWaalsContact O-CG 3.24Å; V829-M833 WeakPolarHBondContact O-CG 3.43Å; V829-M833 PolarHBondContact O-N 3.4Å; I830-M833 PolarHBondContact O-N 3.42Å; M833-L837 VanDerWaalsContact O-CG 3.28Å; M833-L837 WeakPolarHBondContact O-CG 3.4Å; M833-L837 PolarHBondContact O-N 3.1Å; M833-L837 VanDerWaalsContact O-N 3.08Å; M833-L852 HydrophobicContact CB-CD1 4.26Å; M833-L852 HydrophobicContact CE-CD1 3.86Å; M833-L852 HydrophobicContact CE-CD2 4.14Å; M833-L852 HydrophobicContact CE-CG 3.87Å; M833-L856 HydrophobicContact CG-CB 4.16Å; M833-L856 HydrophobicContact SD-CB 4.3Å; M833-L856 HydrophobicContact SD-CD1 4.02Å |
| 834 | I | 92.6 | Very high | 88.9 | Confident | 91 Ų | 91 | 42.5 Ų | 42.5 | 47% | 0.467 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.4 | -45.2 | 177.3 | -64.5 | 165.9 | 0 | 0 | 0 | 111.6 | I830 T831 I832 S836 L837 I838 | I830-I834 HydrophobicContact CG2-CD1 3.96Å; I830-I834 VanDerWaalsContact O-CG1 3.31Å; I830-I834 WeakPolarHBondContact O-CG1 3.35Å; I830-I834 PolarHBondContact O-N 3.08Å; T831-I834 PolarHBondContact O-N 3.4Å; I832-I834 VanDerWaalsContact C-N 3.31Å; I832-I834 PolarHBondContact O-N 3.21Å; I834-S836 VanDerWaalsContact C-N 3.34Å; I834-S836 PolarHBondContact O-N 3.11Å; I834-L837 WeakPolarHBondContact O-CB 3.31Å; I834-L837 PolarHBondContact O-N 3.42Å; I834-I838 HydrophobicContact CG2-CD1 3.91Å; I834-I838 WeakPolarHBondContact O-CG1 3.34Å; I834-I838 PolarHBondContact O-N 2.92Å; I834-I838 VanDerWaalsContact O-N 3.13Å |
| 835 | A | 91 | Very high | 88 | Confident | 21 Ų | 21 | 44.4 Ų | 44.4 | 17% | 0.174 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L792 T831 I832 L837 I838 I839 | L792-A835 HydrophobicContact CD2-CB 3.96Å; T831-A835 VanDerWaalsContact O-CB 3.29Å; T831-A835 WeakPolarHBondContact O-CB 3.34Å; T831-A835 PolarHBondContact O-N 3.01Å; I832-A835 HydrophobicContact CD1-CB 4.38Å; I832-A835 PolarHBondContact O-N 2.89Å; A835-L837 VanDerWaalsContact C-N 3.28Å; A835-L837 PolarHBondContact O-N 2.76Å; A835-I838 CarbonylContact O-C 3.59Å; A835-I838 WeakPolarHBondContact O-CA 3.34Å; A835-I838 PolarHBondContact O-N 2.92Å; A835-I839 WeakPolarHBondContact O-CG1 3.32Å; A835-I839 PolarHBondContact O-N 3.32Å |
| 836 | S | 91.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.2 | -38.5 | 174.8 | -170.6 | 0 | 0 | 0 | 0 | 112.1 | F788 I832 I834 I838 G840 A851 | F788-S836 VanDerWaalsContact CZ-OG 3.27Å; F788-S836 WeakPolarHBondContact CZ-OG 3.48Å; I832-S836 WeakPolarHBondContact O-CA 3.2Å; I832-S836 WeakPolarHBondContact O-CB 3.15Å; I832-S836 PolarHBondContact O-N 3.01Å; I834-S836 VanDerWaalsContact C-N 3.34Å; I834-S836 PolarHBondContact O-N 3.11Å; S836-I838 VanDerWaalsContact C-N 3.29Å; S836-I838 PolarHBondContact O-N 3.02Å; S836-G840 WeakPolarHBondContact O-CA 3.27Å; S836-G840 PolarHBondContact O-N 2.82Å; S836-A851 VanDerWaalsContact CB-O 3.29Å; S836-A851 WeakPolarHBondContact CB-O 3.32Å; S836-A851 PolarHBondContact OG-O 2.94Å |
| 837 | L | 90.5 | Very high | 87 | Confident | 60 Ų | 60 | 44.7 Ų | 44.7 | 31% | 0.314 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.9 | -32.8 | 172.5 | -70.3 | 174.1 | 0 | 0 | 0 | 113.1 | M833 I834 A835 P841 T848 L852 | M833-L837 VanDerWaalsContact O-CG 3.28Å; M833-L837 WeakPolarHBondContact O-CG 3.4Å; M833-L837 PolarHBondContact O-N 3.1Å; M833-L837 VanDerWaalsContact O-N 3.08Å; I834-L837 WeakPolarHBondContact O-CB 3.31Å; I834-L837 PolarHBondContact O-N 3.42Å; A835-L837 VanDerWaalsContact C-N 3.28Å; A835-L837 PolarHBondContact O-N 2.76Å; L837-P841 VanDerWaalsContact O-CD 3.24Å; L837-P841 WeakPolarHBondContact O-CD 3.49Å; L837-P841 WeakPolarHBondContact O-CG 3.4Å; L837-T848 HydrophobicContact CD2-CG2 3.41Å; L837-T848 VanDerWaalsContact CD2-CG2 3.41Å; L837-T848 VanDerWaalsContact CD2-O 3.24Å; L837-T848 WeakPolarHBondContact CD2-O 3.35Å; L837-L852 HydrophobicContact CD1-CD1 3.7Å; L837-L852 HydrophobicContact CD2-CB 4.12Å; L837-L852 HydrophobicContact CD2-CD1 4.07Å; L837-L852 HydrophobicContact CG-CD1 3.97Å |
| 838 | I | 88.6 | Confident | 86.6 | Confident | 110 Ų | 110 | 49.1 Ų | 49.1 | 56% | 0.564 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -82 | -48.6 | -178.5 | -64.2 | 165.5 | 0 | 0 | 0 | 111.1 | I834 A835 S836 | I834-I838 HydrophobicContact CG2-CD1 3.91Å; I834-I838 WeakPolarHBondContact O-CG1 3.34Å; I834-I838 PolarHBondContact O-N 2.92Å; I834-I838 VanDerWaalsContact O-N 3.13Å; A835-I838 CarbonylContact O-C 3.59Å; A835-I838 WeakPolarHBondContact O-CA 3.34Å; A835-I838 PolarHBondContact O-N 2.92Å; S836-I838 VanDerWaalsContact C-N 3.29Å; S836-I838 PolarHBondContact O-N 3.02Å |
| 839 | I | 87.6 | Confident | 86.3 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 21% | 0.205 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -92.2 | -24.9 | -173.7 | 76.8 | 176.9 | 0 | 0 | 0 | 113.1 | F788 A791 L792 A835 L842 L843 | F788-I839 HydrophobicContact CD2-CD1 4.2Å; F788-I839 HydrophobicContact CD2-CG1 3.94Å; F788-I839 HydrophobicContact CE2-CG1 4.08Å; A791-I839 HydrophobicContact CB-CD1 3.93Å; L792-I839 HydrophobicContact CD2-CD1 3.47Å; L792-I839 VanDerWaalsContact CD2-CD1 3.47Å; L792-I839 HydrophobicContact CD2-CG1 4.01Å; L792-I839 HydrophobicContact CG-CD1 3.96Å; A835-I839 WeakPolarHBondContact O-CG1 3.32Å; A835-I839 PolarHBondContact O-N 3.32Å; I839-L842 WeakPolarHBondContact O-CA 3.42Å; I839-L842 WeakPolarHBondContact O-CB 3.46Å; I839-L842 PolarHBondContact O-N 3.25Å; I839-L843 HydrophobicContact CB-CD1 4.37Å; I839-L843 HydrophobicContact CD1-CD1 4.2Å; I839-L843 HydrophobicContact CG1-CD1 4.44Å; I839-L843 PolarHBondContact O-N 3.24Å |
| 840 | G | 82.6 | Confident | 86 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -52.4 | -49.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | F788 S836 L842 L843 T844 | F788-G840 VanDerWaalsContact CE2-CA 3.47Å; S836-G840 WeakPolarHBondContact O-CA 3.27Å; S836-G840 PolarHBondContact O-N 2.82Å; G840-L842 PolarHBondContact O-N 3.48Å; G840-L843 PolarHBondContact O-N 3.28Å; G840-T844 CarbonylContact O-C 3.5Å; G840-T844 WeakPolarHBondContact O-CA 3.22Å; G840-T844 PolarHBondContact O-N 3.12Å; G840-T844 PolarHBondContact O-OG1 3.37Å |
| 841 | P | 81.4 | Confident | 85.7 | Confident | 74 Ų | 74 | 53.2 Ų | 53.2 | 48% | 0.481 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.7 | -25.5 | 175.7 | -24.3 | 34.2 | 0 | 0 | 0 | 114.6 | Q780 L837 | Q780-P841 PolarHBondContact NE2-O 3.17Å; L837-P841 VanDerWaalsContact O-CD 3.24Å; L837-P841 WeakPolarHBondContact O-CD 3.49Å; L837-P841 WeakPolarHBondContact O-CG 3.4Å |
| 842 | L | 81.1 | Confident | 85.5 | Confident | 122 Ų | 122 | 53.7 Ų | 53.7 | 64% | 0.639 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -83.2 | -42.6 | -179.8 | -74.7 | 155.3 | 0 | 0 | 0 | 111.8 | Q780 I839 G840 | Q780-L842 PolarHBondContact NE2-O 3.49Å; I839-L842 WeakPolarHBondContact O-CA 3.42Å; I839-L842 WeakPolarHBondContact O-CB 3.46Å; I839-L842 PolarHBondContact O-N 3.25Å; G840-L842 PolarHBondContact O-N 3.48Å |
| 843 | L | 81.4 | Confident | 85.4 | Confident | 31 Ų | 31 | 57.7 Ų | 57.7 | 16% | 0.162 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -103.5 | -18.5 | -169.3 | -59.8 | -175.2 | 0 | 0 | 0 | 114.1 | L784 L787 F788 I839 G840 | L784-L843 CarbonylContact C-O 3.51Å; L784-L843 WeakPolarHBondContact CB-O 3.06Å; L787-L843 HydrophobicContact CD2-CD1 4.27Å; L787-L843 HydrophobicContact CD2-CD2 3.88Å; L787-L843 HydrophobicContact CG-CD1 4.18Å; F788-L843 HydrophobicContact CB-CB 3.93Å; F788-L843 HydrophobicContact CB-CD1 4.28Å; F788-L843 HydrophobicContact CD2-CB 4.35Å; I839-L843 HydrophobicContact CB-CD1 4.37Å; I839-L843 HydrophobicContact CD1-CD1 4.2Å; I839-L843 HydrophobicContact CG1-CD1 4.44Å; I839-L843 PolarHBondContact O-N 3.24Å; G840-L843 PolarHBondContact O-N 3.28Å |
| 844 | T | 75.5 | Confident | 85.1 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | trans | -135.7 | 155 | -173.3 | 72.4 | 0 | 0 | 0 | 0 | 111.3 | Q780 L785 F788 G840 L846 | Q780-T844 PolarHBondContact OE1-O 2.79Å; L785-T844 HydrophobicContact CD2-CG2 3.91Å; F788-T844 HydrophobicContact CB-CG2 3.33Å; F788-T844 HydrophobicContact CD1-CG2 3.44Å; F788-T844 VanDerWaalsContact CD1-CG2 3.44Å; F788-T844 HydrophobicContact CD2-CG2 3.4Å; F788-T844 VanDerWaalsContact CD2-CG2 3.4Å; F788-T844 HydrophobicContact CE1-CG2 3.94Å; F788-T844 HydrophobicContact CE2-CG2 3.92Å; F788-T844 HydrophobicContact CG-CG2 3.1Å; F788-T844 HydrophobicContact CZ-CG2 4.14Å; G840-T844 CarbonylContact O-C 3.5Å; G840-T844 WeakPolarHBondContact O-CA 3.22Å; G840-T844 PolarHBondContact O-N 3.12Å; G840-T844 PolarHBondContact O-OG1 3.37Å; T844-L846 HydrophobicContact CG2-CD1 4.37Å; T844-L846 PolarHBondContact O-N 3.47Å; T844-L846 VanDerWaalsContact OG1-CB 3.31Å; T844-L846 WeakPolarHBondContact OG1-CB 3.5Å; T844-L846 WeakPolarHBondContact OG1-CG 2.88Å; T844-L846 PolarHBondContact OG1-N 2.89Å | ||
| 845 | P | 71.9 | Confident | 85 | Confident | 41 Ų | 41 | 52 Ų | 52 | 27% | 0.266 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -75.5 | 8.5 | 168.9 | 31.9 | -35.3 | 0 | 0 | 0 | 113.1 | A931 | P845-A931 HydrophobicContact CB-CB 4.19Š|
| 846 | L | 79.7 | Confident | 85 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | trans | -70.9 | 130.3 | -176.3 | -58.5 | 175.9 | 0 | 0 | 0 | 111 | F788 T844 Q850 A851 A854 | F788-L846 HydrophobicContact CE1-CD1 3.8Å; F788-L846 HydrophobicContact CZ-CD1 3.94Å; T844-L846 HydrophobicContact CG2-CD1 4.37Å; T844-L846 PolarHBondContact O-N 3.47Å; T844-L846 VanDerWaalsContact OG1-CB 3.31Å; T844-L846 WeakPolarHBondContact OG1-CB 3.5Å; T844-L846 WeakPolarHBondContact OG1-CG 2.88Å; T844-L846 PolarHBondContact OG1-N 2.89Å; L846-Q850 HydrophobicContact CB-CB 3.84Å; L846-Q850 HydrophobicContact CD2-CB 4.01Å; L846-Q850 HydrophobicContact CG-CB 4.42Å; L846-A851 HydrophobicContact CB-CB 4.27Å; L846-A854 HydrophobicContact CD1-CB 3.83Å | ||
| 847 | N | 81.4 | Confident | 84.9 | Confident | 83 Ų | 83 | 59.4 Ų | 59.4 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | trans | -67.9 | 168.5 | 171.7 | 71.4 | 43 | 0 | 0 | 0 | 111.6 | L849 Q850 A851 | N847-L849 PolarHBondContact O-N 3.06Å; N847-L849 VanDerWaalsContact O-N 3.11Å; N847-L849 PolarHBondContact OD1-N 3.06Å; N847-Q850 VanDerWaalsContact ND2-CD 3.28Å; N847-Q850 PolarHBondContact ND2-OE1 3.27Å; N847-Q850 CarbonylContact O-C 3.57Å; N847-Q850 PolarHBondContact O-N 3.42Å; N847-Q850 WeakPolarHBondContact OD1-CB 3.46Å; N847-Q850 WeakPolarHBondContact OD1-CG 3.48Å; N847-Q850 PolarHBondContact OD1-N 2.91Å; N847-A851 WeakPolarHBondContact O-CB 3.32Å; N847-A851 PolarHBondContact O-N 2.72Å | ||
| 848 | T | 84.4 | Confident | 84.9 | Confident | 102 Ų | 102 | 57.2 Ų | 57.2 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -51 | -40.4 | -177.3 | -45.7 | 0 | 0 | 0 | 0 | 113.5 | L837 L852 | L837-T848 HydrophobicContact CD2-CG2 3.41Å; L837-T848 VanDerWaalsContact CD2-CG2 3.41Å; L837-T848 VanDerWaalsContact CD2-O 3.24Å; L837-T848 WeakPolarHBondContact CD2-O 3.35Å; T848-L852 VanDerWaalsContact O-CB 3.31Å; T848-L852 WeakPolarHBondContact O-CB 3.25Å; T848-L852 PolarHBondContact O-N 3.01Å |
| 849 | L | 85 | Confident | 84.9 | Confident | 111 Ų | 111 | 52 Ų | 52 | 58% | 0.581 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -74.2 | -42.6 | 178.7 | -179.9 | 63.5 | 0 | 0 | 0 | 111.8 | N847 L852 L853 | N847-L849 PolarHBondContact O-N 3.06Å; N847-L849 VanDerWaalsContact O-N 3.11Å; N847-L849 PolarHBondContact OD1-N 3.06Å; L849-L852 HydrophobicContact CD1-CD2 4.49Å; L849-L852 WeakPolarHBondContact O-CB 3.25Å; L849-L852 PolarHBondContact O-N 3.2Å; L849-L853 HydrophobicContact CD1-CD1 4.39Å; L849-L853 HydrophobicContact CD1-CG 4.37Å; L849-L853 HydrophobicContact CG-CD1 4.15Å; L849-L853 WeakPolarHBondContact O-CB 3.49Å; L849-L853 VanDerWaalsContact O-CG 3.31Å; L849-L853 WeakPolarHBondContact O-CG 3.08Å; L849-L853 PolarHBondContact O-N 3Å |
| 850 | Q | 86.3 | Confident | 85 | Confident | 89 Ų | 89 | 54.1 Ų | 54.1 | 42% | 0.416 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 176.6 | -72.7 | 170 | -19.5 | 0 | 0 | 111.2 | L846 N847 L853 A854 | L846-Q850 HydrophobicContact CB-CB 3.84Å; L846-Q850 HydrophobicContact CD2-CB 4.01Å; L846-Q850 HydrophobicContact CG-CB 4.42Å; N847-Q850 VanDerWaalsContact ND2-CD 3.28Å; N847-Q850 PolarHBondContact ND2-OE1 3.27Å; N847-Q850 CarbonylContact O-C 3.57Å; N847-Q850 PolarHBondContact O-N 3.42Å; N847-Q850 WeakPolarHBondContact OD1-CB 3.46Å; N847-Q850 WeakPolarHBondContact OD1-CG 3.48Å; N847-Q850 PolarHBondContact OD1-N 2.91Å; Q850-L853 PolarHBondContact O-N 3.29Å; Q850-A854 WeakPolarHBondContact O-CB 3.26Å; Q850-A854 PolarHBondContact O-N 3.23Å |
| 851 | A | 86.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S836 L846 N847 L853 A854 G855 | S836-A851 VanDerWaalsContact CB-O 3.29Å; S836-A851 WeakPolarHBondContact CB-O 3.32Å; S836-A851 PolarHBondContact OG-O 2.94Å; L846-A851 HydrophobicContact CB-CB 4.27Å; N847-A851 WeakPolarHBondContact O-CB 3.32Å; N847-A851 PolarHBondContact O-N 2.72Å; A851-L853 PolarHBondContact O-N 3.27Å; A851-A854 PolarHBondContact O-N 3.45Å; A851-G855 PolarHBondContact O-N 3.35Å |
| 852 | L | 90.6 | Very high | 85.4 | Confident | 54 Ų | 54 | 51.9 Ų | 51.9 | 28% | 0.283 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.3 | -47.9 | 175.2 | -169.3 | 93.9 | 0 | 0 | 0 | 112 | M833 L837 T848 L849 G855 L856 | M833-L852 HydrophobicContact CB-CD1 4.26Å; M833-L852 HydrophobicContact CE-CD1 3.86Å; M833-L852 HydrophobicContact CE-CD2 4.14Å; M833-L852 HydrophobicContact CE-CG 3.87Å; L837-L852 HydrophobicContact CD1-CD1 3.7Å; L837-L852 HydrophobicContact CD2-CB 4.12Å; L837-L852 HydrophobicContact CD2-CD1 4.07Å; L837-L852 HydrophobicContact CG-CD1 3.97Å; T848-L852 VanDerWaalsContact O-CB 3.31Å; T848-L852 WeakPolarHBondContact O-CB 3.25Å; T848-L852 PolarHBondContact O-N 3.01Å; L849-L852 HydrophobicContact CD1-CD2 4.49Å; L849-L852 WeakPolarHBondContact O-CB 3.25Å; L849-L852 PolarHBondContact O-N 3.2Å; L852-G855 PolarHBondContact O-N 2.91Å; L852-L856 PolarHBondContact O-N 2.85Å |
| 853 | L | 89.3 | Confident | 85.8 | Confident | 84 Ų | 84 | 47 Ų | 47 | 44% | 0.44 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 178.7 | -72.4 | 173.8 | 0 | 0 | 0 | 111.9 | L849 Q850 A851 G855 L856 L857 | L849-L853 HydrophobicContact CD1-CD1 4.39Å; L849-L853 HydrophobicContact CD1-CG 4.37Å; L849-L853 HydrophobicContact CG-CD1 4.15Å; L849-L853 WeakPolarHBondContact O-CB 3.49Å; L849-L853 VanDerWaalsContact O-CG 3.31Å; L849-L853 WeakPolarHBondContact O-CG 3.08Å; L849-L853 PolarHBondContact O-N 3Å; Q850-L853 PolarHBondContact O-N 3.29Å; A851-L853 PolarHBondContact O-N 3.27Å; L853-G855 VanDerWaalsContact C-N 3.33Å; L853-L856 PolarHBondContact O-N 3.29Å; L853-L857 WeakPolarHBondContact O-CB 3.49Å; L853-L857 WeakPolarHBondContact O-CG 3.32Å; L853-L857 PolarHBondContact O-N 2.83Å |
| 854 | A | 87.6 | Confident | 86.1 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | F788 L846 Q850 A851 L856 L857 I858 | F788-A854 HydrophobicContact CE1-CB 4.06Å; F788-A854 HydrophobicContact CZ-CB 4.19Å; L846-A854 HydrophobicContact CD1-CB 3.83Å; Q850-A854 WeakPolarHBondContact O-CB 3.26Å; Q850-A854 PolarHBondContact O-N 3.23Å; A851-A854 PolarHBondContact O-N 3.45Å; A854-L856 PolarHBondContact O-N 2.85Å; A854-L857 PolarHBondContact O-N 3.49Å; A854-I858 HydrophobicContact CB-CD1 4.5Å; A854-I858 VanDerWaalsContact O-CB 3.23Å; A854-I858 WeakPolarHBondContact O-CB 3.49Å; A854-I858 WeakPolarHBondContact O-CD1 3.27Å; A854-I858 WeakPolarHBondContact O-CG1 3.41Å; A854-I858 PolarHBondContact O-N 2.85Å |
| 855 | G | 90.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I832 A851 L852 L853 G859 | I832-G855 WeakPolarHBondContact CG2-O 3.41Å; A851-G855 PolarHBondContact O-N 3.35Å; L852-G855 PolarHBondContact O-N 2.91Å; L853-G855 VanDerWaalsContact C-N 3.33Å; G855-G859 WeakPolarHBondContact O-CA 3.04Å; G855-G859 PolarHBondContact O-N 2.87Å |
| 856 | L | 92.2 | Very high | 87.2 | Confident | 60 Ų | 60 | 47 Ų | 47 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.1 | -49.2 | 173.9 | 177.1 | 64.6 | 0 | 0 | 0 | 111.5 | V829 M833 L852 L853 A854 G859 I860 | V829-L856 HydrophobicContact CG1-CD1 3.59Å; M833-L856 HydrophobicContact CG-CB 4.16Å; M833-L856 HydrophobicContact SD-CB 4.3Å; M833-L856 HydrophobicContact SD-CD1 4.02Å; L852-L856 PolarHBondContact O-N 2.85Å; L853-L856 PolarHBondContact O-N 3.29Å; A854-L856 PolarHBondContact O-N 2.85Å; L856-G859 PolarHBondContact O-N 3.18Å; L856-I860 HydrophobicContact CD1-CD1 3.79Å; L856-I860 HydrophobicContact CD1-CG1 4.41Å; L856-I860 HydrophobicContact CG-CD1 4.14Å; L856-I860 WeakPolarHBondContact O-CG1 3.42Å; L856-I860 PolarHBondContact O-N 2.65Å |
| 857 | L | 89.9 | Confident | 87.6 | Confident | 115 Ų | 115 | 45.8 Ų | 45.8 | 60% | 0.602 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.6 | -51.3 | -179.2 | -74.6 | 171.5 | 0 | 0 | 0 | 110.9 | L853 A854 G859 I860 S861 | L853-L857 WeakPolarHBondContact O-CB 3.49Å; L853-L857 WeakPolarHBondContact O-CG 3.32Å; L853-L857 PolarHBondContact O-N 2.83Å; A854-L857 PolarHBondContact O-N 3.49Å; L857-G859 VanDerWaalsContact C-N 3.26Å; L857-G859 PolarHBondContact O-N 3.33Å; L857-I860 PolarHBondContact O-N 3.48Å; L857-S861 WeakPolarHBondContact O-CB 3.4Å; L857-S861 PolarHBondContact O-N 2.68Å; L857-S861 PolarHBondContact O-OG 3.44Å |
| 858 | I | 89.5 | Confident | 87.7 | Confident | 14 Ų | 14 | 44.4 Ų | 44.4 | 7% | 0.072 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.7 | -39.9 | 176 | -68.5 | 165.5 | 0 | 0 | 0 | 110.7 | F788 L789 L792 T793 A854 I860 G862 T901 | F788-I858 HydrophobicContact CE1-CD1 4.06Å; L789-I858 HydrophobicContact CD1-CD1 4.11Å; L789-I858 HydrophobicContact CD1-CG1 4.21Å; L792-I858 HydrophobicContact CB-CD1 4.18Å; L792-I858 HydrophobicContact CB-CG2 3.9Å; L792-I858 HydrophobicContact CD1-CD1 3.74Å; T793-I858 VanDerWaalsContact OG1-CG2 3.31Å; T793-I858 WeakPolarHBondContact OG1-CG2 3.39Å; A854-I858 HydrophobicContact CB-CD1 4.5Å; A854-I858 VanDerWaalsContact O-CB 3.23Å; A854-I858 WeakPolarHBondContact O-CB 3.49Å; A854-I858 WeakPolarHBondContact O-CD1 3.27Å; A854-I858 WeakPolarHBondContact O-CG1 3.41Å; A854-I858 PolarHBondContact O-N 2.85Å; I858-I860 PolarHBondContact O-N 2.91Å; I858-G862 WeakPolarHBondContact O-CA 3.34Å; I858-G862 PolarHBondContact O-N 3.38Å; I858-T901 HydrophobicContact CG2-CG2 4.34Å |
| 859 | G | 89.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N796 G855 L856 L857 F863 | N796-G859 WeakPolarHBondContact ND2-CA 3.33Å; N796-G859 PolarHBondContact ND2-O 3.23Å; G855-G859 WeakPolarHBondContact O-CA 3.04Å; G855-G859 PolarHBondContact O-N 2.87Å; L856-G859 PolarHBondContact O-N 3.18Å; L857-G859 VanDerWaalsContact C-N 3.26Å; L857-G859 PolarHBondContact O-N 3.33Å; G859-F863 PolarHBondContact O-N 2.93Å |
| 860 | I | 89.9 | Confident | 87.7 | Confident | 85 Ų | 85 | 35.3 Ų | 35.3 | 44% | 0.436 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -77.9 | -48.6 | -178.7 | -65.3 | 170.7 | 0 | 0 | 0 | 111.5 | V829 L856 L857 I858 F863 C864 | V829-I860 HydrophobicContact CG2-CG1 4.25Å; L856-I860 HydrophobicContact CD1-CD1 3.79Å; L856-I860 HydrophobicContact CD1-CG1 4.41Å; L856-I860 HydrophobicContact CG-CD1 4.14Å; L856-I860 WeakPolarHBondContact O-CG1 3.42Å; L856-I860 PolarHBondContact O-N 2.65Å; L857-I860 PolarHBondContact O-N 3.48Å; I858-I860 PolarHBondContact O-N 2.91Å; I860-F863 WeakPolarHBondContact O-CB 3.29Å; I860-F863 PolarHBondContact O-N 3.46Å; I860-C864 PolarHBondContact O-N 3.14Å; I860-C864 PolarHBondContact O-SG 2.98Å |
| 861 | S | 85.7 | Confident | 87.6 | Confident | 27 Ų | 27 | 33 Ų | 33 | 19% | 0.189 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.7 | -36.8 | -177.9 | 64 | 0 | 0 | 0 | 0 | 111.6 | L857 F863 C864 G865 T901 | L857-S861 WeakPolarHBondContact O-CB 3.4Å; L857-S861 PolarHBondContact O-N 2.68Å; L857-S861 PolarHBondContact O-OG 3.44Å; S861-F863 VanDerWaalsContact C-N 3.34Å; S861-F863 PolarHBondContact O-N 3.24Å; S861-C864 PolarHBondContact O-N 3.31Å; S861-G865 PolarHBondContact O-N 3.36Å; S861-T901 VanDerWaalsContact OG-CG2 3.31Å; S861-T901 WeakPolarHBondContact OG-CG2 3.37Å |
| 862 | G | 86.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.9 | -43.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I858 G865 D866 S897 | I858-G862 WeakPolarHBondContact O-CA 3.34Å; I858-G862 PolarHBondContact O-N 3.38Å; G862-G865 PolarHBondContact O-N 2.9Å; G862-D866 PolarHBondContact O-N 3.01Å; G862-S897 WeakPolarHBondContact O-CB 3.28Å; G862-S897 PolarHBondContact O-OG 2.92Å |
| 863 | F | 89.6 | Confident | 86.6 | Confident | 21 Ų | 21 | 34 Ų | 34 | 9% | 0.092 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | 173.8 | 179.3 | -102.6 | 0 | 0 | 0 | 112.7 | V812 K820 L825 G859 I860 S861 D866 V867 | V812-F863 HydrophobicContact CB-CZ 4.1Å; V812-F863 HydrophobicContact CG1-CE1 4.12Å; V812-F863 HydrophobicContact CG1-CZ 3.78Å; V812-F863 HydrophobicContact CG2-CZ 4.33Å; K820-F863 HydrophobicContact CB-CE2 4.13Å; K820-F863 HydrophobicContact CD-CE2 4.09Å; K820-F863 HydrophobicContact CG-CE2 4.23Å; L825-F863 HydrophobicContact CD1-CB 3.7Å; L825-F863 HydrophobicContact CD1-CD1 3.95Å; L825-F863 HydrophobicContact CD1-CD2 3.83Å; L825-F863 HydrophobicContact CD1-CE2 4.43Å; L825-F863 HydrophobicContact CD1-CG 3.54Å; L825-F863 HydrophobicContact CD2-CD1 4.06Å; L825-F863 HydrophobicContact CD2-CE1 4Å; L825-F863 HydrophobicContact CD2-CG 4.44Å; L825-F863 HydrophobicContact CD2-CZ 4.31Å; G859-F863 PolarHBondContact O-N 2.93Å; I860-F863 WeakPolarHBondContact O-CB 3.29Å; I860-F863 PolarHBondContact O-N 3.46Å; S861-F863 VanDerWaalsContact C-N 3.34Å; S861-F863 PolarHBondContact O-N 3.24Å; F863-D866 PolarHBondContact O-N 3.46Å; F863-V867 HydrophobicContact CD1-CG2 4.21Å; F863-V867 HydrophobicContact CD2-CG2 4.3Å; F863-V867 HydrophobicContact CE1-CG2 3.76Å; F863-V867 HydrophobicContact CE2-CG2 3.89Å; F863-V867 HydrophobicContact CG-CG2 4.47Å; F863-V867 HydrophobicContact CZ-CG2 3.59Å; F863-V867 WeakPolarHBondContact O-CG2 3.26Å; F863-V867 PolarHBondContact O-N 3.13Å |
| 864 | C | 86.5 | Confident | 86.4 | Confident | 54 Ų | 54 | 34.6 Ų | 34.6 | 37% | 0.365 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 176.4 | -70 | 0 | 0 | 0 | 0 | 111.5 | I860 S861 V867 V868 | I860-C864 PolarHBondContact O-N 3.14Å; I860-C864 PolarHBondContact O-SG 2.98Å; S861-C864 PolarHBondContact O-N 3.31Å; C864-V867 PolarHBondContact O-N 3.26Å; C864-V868 WeakPolarHBondContact O-CB 3.4Å; C864-V868 VanDerWaalsContact O-CG2 3.27Å; C864-V868 WeakPolarHBondContact O-CG2 3.42Å; C864-V868 PolarHBondContact O-N 2.75Å |
| 865 | G | 84.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.6 | -51.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | S861 G862 V867 V868 M869 D896 | S861-G865 PolarHBondContact O-N 3.36Å; G862-G865 PolarHBondContact O-N 2.9Å; G865-V867 PolarHBondContact O-N 3Å; G865-V868 PolarHBondContact O-N 2.96Å; G865-M869 WeakPolarHBondContact O-CB 3.18Å; G865-M869 WeakPolarHBondContact O-CG 3.41Å; G865-M869 PolarHBondContact O-N 2.81Å; G865-D896 CarbonylContact C-O 3.55Å; G865-D896 WeakPolarHBondContact CA-O 3.38Å |
| 866 | D | 86.1 | Confident | 85.1 | Confident | 20 Ų | 20 | 44.6 Ų | 44.6 | 11% | 0.107 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.6 | -42 | 177.5 | 178.3 | 46.3 | 0 | 0 | 0 | 113.2 | K820 G862 F863 S870 | K820-D866 WeakPolarHBondContact CE-OD2 3.23Å; K820-D866 IonicContact NZ-OD2 3.83Å; K820-D866 PolarHBondContact NZ-OD2 2.89Å; G862-D866 PolarHBondContact O-N 3.01Å; F863-D866 PolarHBondContact O-N 3.46Å; D866-S870 WeakPolarHBondContact O-CB 3.26Å; D866-S870 PolarHBondContact O-N 3.21Å; D866-S870 PolarHBondContact O-OG 2.81Å |
| 867 | V | 87.8 | Confident | 84.3 | Confident | 24 Ų | 24 | 45 Ų | 45 | 15% | 0.145 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68 | -42.2 | 178.1 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | V813 F863 C864 G865 S870 A871 | V813-V867 HydrophobicContact CG1-CG1 4.24Å; V813-V867 HydrophobicContact CG2-CG1 4.07Å; V813-V867 HydrophobicContact CG2-CG2 4Å; F863-V867 HydrophobicContact CD1-CG2 4.21Å; F863-V867 HydrophobicContact CD2-CG2 4.3Å; F863-V867 HydrophobicContact CE1-CG2 3.76Å; F863-V867 HydrophobicContact CE2-CG2 3.89Å; F863-V867 HydrophobicContact CG-CG2 4.47Å; F863-V867 HydrophobicContact CZ-CG2 3.59Å; F863-V867 WeakPolarHBondContact O-CG2 3.26Å; F863-V867 PolarHBondContact O-N 3.13Å; C864-V867 PolarHBondContact O-N 3.26Å; G865-V867 PolarHBondContact O-N 3Å; V867-S870 PolarHBondContact O-N 2.99Å; V867-A871 PolarHBondContact O-N 2.87Å |
| 868 | V | 84.5 | Confident | 83.7 | Confident | 54 Ų | 54 | 42.3 Ų | 42.3 | 33% | 0.327 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.7 | -45.3 | 179.5 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | M760 C864 G865 S870 A871 I872 | M760-V868 HydrophobicContact CE-CB 4.48Å; M760-V868 HydrophobicContact CE-CG1 3.4Å; C864-V868 WeakPolarHBondContact O-CB 3.4Å; C864-V868 VanDerWaalsContact O-CG2 3.27Å; C864-V868 WeakPolarHBondContact O-CG2 3.42Å; C864-V868 PolarHBondContact O-N 2.75Å; G865-V868 PolarHBondContact O-N 2.96Å; V868-S870 VanDerWaalsContact C-N 3.33Å; V868-S870 PolarHBondContact O-N 2.99Å; V868-A871 WeakPolarHBondContact O-CA 3.49Å; V868-A871 WeakPolarHBondContact O-CB 3.41Å; V868-A871 PolarHBondContact O-N 2.96Å; V868-I872 HydrophobicContact CG1-CD1 4.12Å; V868-I872 WeakPolarHBondContact O-CG1 3.28Å; V868-I872 PolarHBondContact O-N 3.26Å |
| 869 | M | 83.4 | Confident | 83.1 | Confident | 15 Ų | 15 | 48.1 Ų | 48.1 | 7% | 0.074 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 175.8 | -73.4 | -57.2 | -61.8 | 0 | 0 | 112.3 | M760 G865 A871 I872 K873 D896 I899 | M760-M869 HydrophobicContact CE-SD 4.4Å; G865-M869 WeakPolarHBondContact O-CB 3.18Å; G865-M869 WeakPolarHBondContact O-CG 3.41Å; G865-M869 PolarHBondContact O-N 2.81Å; M869-A871 VanDerWaalsContact C-N 3.31Å; M869-A871 PolarHBondContact O-N 2.93Å; M869-I872 PolarHBondContact O-N 3.14Å; M869-I872 HydrophobicContact SD-CD1 4.03Å; M869-K873 WeakPolarHBondContact O-CB 3.46Å; M869-K873 WeakPolarHBondContact O-CE 3.19Å; M869-K873 WeakPolarHBondContact O-CG 3.37Å; M869-K873 PolarHBondContact O-N 3.01Å; M869-D896 HydrophobicContact CB-CB 3.81Å; M869-D896 VanDerWaalsContact CB-CG 3.44Å; M869-D896 VanDerWaalsContact CB-OD1 3.28Å; M869-D896 WeakPolarHBondContact CB-OD1 3.39Å; M869-D896 HydrophobicContact CG-CB 4.06Å; M869-I899 HydrophobicContact CE-CD1 4.3Å; M869-I899 HydrophobicContact CG-CD1 3.94Å; M869-I899 HydrophobicContact SD-CD1 3.73Å |
| 870 | S | 85.3 | Confident | 82.6 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 5% | 0.049 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.5 | -40.8 | 169.3 | -71.3 | 0 | 0 | 0 | 0 | 111.9 | D866 V867 V868 K873 R874 | D866-S870 WeakPolarHBondContact O-CB 3.26Å; D866-S870 PolarHBondContact O-N 3.21Å; D866-S870 PolarHBondContact O-OG 2.81Å; V867-S870 PolarHBondContact O-N 2.99Å; V868-S870 VanDerWaalsContact C-N 3.33Å; V868-S870 PolarHBondContact O-N 2.99Å; S870-K873 PolarHBondContact O-N 2.89Å; S870-R874 WeakPolarHBondContact O-CG 3.24Å; S870-R874 PolarHBondContact O-N 3.24Å |
| 871 | A | 84 | Confident | 81.3 | Confident | 40 Ų | 40 | 49.8 Ų | 49.8 | 33% | 0.331 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V816 V867 V868 M869 K873 R874 D875 | V816-A871 HydrophobicContact CG1-CB 3.87Å; V816-A871 VanDerWaalsContact CG1-N 3.34Å; V816-A871 HydrophobicContact CG2-CB 4.36Å; V867-A871 PolarHBondContact O-N 2.87Å; V868-A871 WeakPolarHBondContact O-CA 3.49Å; V868-A871 WeakPolarHBondContact O-CB 3.41Å; V868-A871 PolarHBondContact O-N 2.96Å; M869-A871 VanDerWaalsContact C-N 3.31Å; M869-A871 PolarHBondContact O-N 2.93Å; A871-K873 PolarHBondContact O-N 3.41Å; A871-R874 PolarHBondContact O-N 3.43Å; A871-D875 PolarHBondContact O-N 2.85Å |
| 872 | I | 77.7 | Confident | 80.4 | Confident | 63 Ų | 63 | 49.6 Ų | 49.6 | 32% | 0.323 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 176.5 | -67 | 168.3 | 0 | 0 | 0 | 110.6 | M760 V868 M869 R874 D875 I876 | M760-I872 HydrophobicContact CE-CD1 3.84Å; V868-I872 HydrophobicContact CG1-CD1 4.12Å; V868-I872 WeakPolarHBondContact O-CG1 3.28Å; V868-I872 PolarHBondContact O-N 3.26Å; M869-I872 PolarHBondContact O-N 3.14Å; M869-I872 HydrophobicContact SD-CD1 4.03Å; I872-R874 VanDerWaalsContact C-N 3.3Å; I872-R874 PolarHBondContact O-N 3.46Å; I872-D875 WeakPolarHBondContact O-CB 3.24Å; I872-D875 PolarHBondContact O-N 3.1Å; I872-D875 VanDerWaalsContact O-N 3.15Å; I872-I876 WeakPolarHBondContact O-CG1 3.42Å; I872-I876 PolarHBondContact O-N 3.03Å |
| 873 | K | 79.7 | Confident | 79.6 | Confident | 13 Ų | 13 | 58.9 Ų | 58.9 | 6% | 0.057 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.1 | -45.1 | 176.2 | -76.2 | -177.9 | -71.2 | -166.7 | 0 | 111.6 | M869 S870 A871 D875 I876 G877 V878 D893 D896 | M869-K873 WeakPolarHBondContact O-CB 3.46Å; M869-K873 WeakPolarHBondContact O-CE 3.19Å; M869-K873 WeakPolarHBondContact O-CG 3.37Å; M869-K873 PolarHBondContact O-N 3.01Å; S870-K873 PolarHBondContact O-N 2.89Å; A871-K873 PolarHBondContact O-N 3.41Å; K873-D875 VanDerWaalsContact C-N 3.34Å; K873-D875 PolarHBondContact O-N 2.99Å; K873-I876 WeakPolarHBondContact O-CG1 3.31Å; K873-I876 PolarHBondContact O-N 3Å; K873-G877 PolarHBondContact O-N 2.82Å; K873-V878 CarbonylContact C-O 3.52Å; K873-V878 HydrophobicContact CB-CG2 3.96Å; K873-V878 HydrophobicContact CG-CG2 4Å; K873-V878 CarbonylContact O-C 3.55Å; K873-V878 PolarHBondContact O-N 2.87Å; K873-D893 WeakPolarHBondContact CD-OD1 3.32Å; K873-D893 VanDerWaalsContact NZ-CG 3.35Å; K873-D893 IonicContact NZ-OD1 3.08Å; K873-D893 PolarHBondContact NZ-OD1 3.33Å; K873-D893 IonicContact NZ-OD2 3Å; K873-D896 IonicContact NZ-OD2 3.59Å; K873-D896 PolarHBondContact NZ-OD2 3.17Å |
| 874 | R | 84.7 | Confident | 78.4 | Confident | 96 Ų | 96 | 61 Ų | 61 | 36% | 0.362 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 178.5 | -63.3 | -77.8 | 169.2 | -102.7 | -13.5 | 112.1 | V816 S870 A871 I872 G877 V878 K879 | V816-R874 PolarHBondContact O-NE 2.73Å; V816-R874 VanDerWaalsContact O-NE 3.1Å; S870-R874 WeakPolarHBondContact O-CG 3.24Å; S870-R874 PolarHBondContact O-N 3.24Å; A871-R874 PolarHBondContact O-N 3.43Å; I872-R874 VanDerWaalsContact C-N 3.3Å; I872-R874 PolarHBondContact O-N 3.46Å; R874-G877 PolarHBondContact O-N 2.83Å; R874-V878 PolarHBondContact NH1-O 2.59Å; R874-K879 VanDerWaalsContact NH1-CB 3.32Å |
| 875 | D | 77.6 | Confident | 77.3 | Confident | 126 Ų | 126 | 61.4 Ų | 61.4 | 67% | 0.674 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.2 | -43.6 | 178.9 | -163.4 | 49.1 | 0 | 0 | 0 | 111.7 | A871 I872 K873 G877 | A871-D875 PolarHBondContact O-N 2.85Å; I872-D875 WeakPolarHBondContact O-CB 3.24Å; I872-D875 PolarHBondContact O-N 3.1Å; I872-D875 VanDerWaalsContact O-N 3.15Å; K873-D875 VanDerWaalsContact C-N 3.34Å; K873-D875 PolarHBondContact O-N 2.99Å; D875-G877 PolarHBondContact O-N 2.88Å |
| 876 | I | 72.1 | Confident | 76 | Confident | 103 Ų | 103 | 66.8 Ų | 66.8 | 53% | 0.528 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 6.1 | 176.6 | 71 | -178.3 | 0 | 0 | 0 | 114 | I872 K873 V878 | I872-I876 WeakPolarHBondContact O-CG1 3.42Å; I872-I876 PolarHBondContact O-N 3.03Å; K873-I876 WeakPolarHBondContact O-CG1 3.31Å; K873-I876 PolarHBondContact O-N 3Å; I876-V878 VanDerWaalsContact C-N 3.34Å; I876-V878 HydrophobicContact CD1-CG2 3.68Å; I876-V878 HydrophobicContact CG1-CB 4.43Å; I876-V878 HydrophobicContact CG1-CG1 4.34Å; I876-V878 HydrophobicContact CG1-CG2 3.61Å; I876-V878 PolarHBondContact O-N 2.84Å |
| 877 | G | 76 | Confident | 75 | Confident | 68 Ų | 68 | 70 Ų | 70 | 70% | 0.701 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 12.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | K873 R874 D875 | K873-G877 PolarHBondContact O-N 2.82Å; R874-G877 PolarHBondContact O-N 2.83Å; D875-G877 PolarHBondContact O-N 2.88Å |
| 878 | V | 77.5 | Confident | 73.8 | Confident | 58 Ų | 58 | 73.7 Ų | 73.7 | 35% | 0.352 | 43% | 0.425 | S | S | . | . | trans | -104.7 | 153.4 | 176.1 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | K873 R874 I876 | K873-V878 CarbonylContact C-O 3.52Å; K873-V878 HydrophobicContact CB-CG2 3.96Å; K873-V878 HydrophobicContact CG-CG2 4Å; K873-V878 CarbonylContact O-C 3.55Å; K873-V878 PolarHBondContact O-N 2.87Å; R874-V878 PolarHBondContact NH1-O 2.59Å; I876-V878 VanDerWaalsContact C-N 3.34Å; I876-V878 HydrophobicContact CD1-CG2 3.68Å; I876-V878 HydrophobicContact CG1-CB 4.43Å; I876-V878 HydrophobicContact CG1-CG1 4.34Å; I876-V878 HydrophobicContact CG1-CG2 3.61Å; I876-V878 PolarHBondContact O-N 2.84Å | ||
| 879 | K | 77.3 | Confident | 72.7 | Confident | 137 Ų | 137 | 71.5 Ų | 71.5 | 60% | 0.596 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -101.3 | -41.1 | 171.3 | 178.3 | -178.5 | 175.1 | -165.5 | 0 | 113.1 | R874 | R874-K879 VanDerWaalsContact NH1-CB 3.32Š|
| 880 | D | 77.7 | Confident | 71.9 | Confident | 84 Ų | 84 | 70.8 Ų | 70.8 | 45% | 0.449 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -122 | 132 | -173.2 | -61.1 | -39.4 | 0 | 0 | 0 | 107.2 | G882 G889 D893 | D880-G882 PolarHBondContact O-N 3.46Å; D880-G889 CarbonylContact C-O 3.46Å; D880-D893 WeakPolarHBondContact CA-OD2 3.47Å |
| 881 | S | 63.1 | Low | 71.2 | Confident | 36 Ų | 36 | 73.2 Ų | 73.2 | 25% | 0.252 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -68.5 | -3.3 | -179.5 | -59.8 | 0 | 0 | 0 | 0 | 113.1 | K711 G889 L892 D893 | K711-S881 PolarHBondContact NZ-O 3.15Å; S881-G889 CarbonylContact C-O 3.56Å; S881-G889 PolarHBondContact N-O 3.05Å; S881-L892 VanDerWaalsContact CB-CB 3.44Å; S881-D893 VanDerWaalsContact CB-OD1 3.23Å; S881-D893 WeakPolarHBondContact CB-OD1 3.5Å; S881-D893 PolarHBondContact N-OD1 3.49Å; S881-D893 PolarHBondContact N-OD2 2.96Å; S881-D893 PolarHBondContact OG-OD1 3.2Å |
| 882 | G | 66.4 | Low | 70.5 | Confident | 23 Ų | 23 | 74.1 Ų | 74.1 | 24% | 0.237 | 42% | 0.421 | C | S | . | . | trans | 163.2 | -158.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D880 G889 | D880-G882 PolarHBondContact O-N 3.46Å; G882-G889 CarbonylContact C-O 3.55Å; G882-G889 PolarHBondContact N-O 2.95Å; G882-G889 CarbonylContact O-C 3.59Å | ||
| 883 | K | 70.8 | Confident | 70.4 | Confident | 194 Ų | 194 | 71.6 Ų | 71.6 | 84% | 0.843 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -113.8 | 4.4 | -172.3 | -60.3 | -179 | -177.3 | 176.7 | 0 | 114.3 | L885 | K883-L885 VanDerWaalsContact C-N 3.31Å; K883-L885 PolarHBondContact O-N 3.18Å |
| 884 | L | 64.3 | Low | 70.4 | Confident | 65 Ų | 65 | 74.2 Ų | 74.2 | 34% | 0.34 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -59.3 | -37 | -171.7 | -164.7 | 77.8 | 0 | 0 | 0 | 114 | A708 K711 P886 L891 | A708-L884 HydrophobicContact CB-CD1 3.23Å; K711-L884 HydrophobicContact CB-CD2 3.79Å; K711-L884 HydrophobicContact CD-CB 3.87Å; K711-L884 HydrophobicContact CD-CD2 3.85Å; K711-L884 HydrophobicContact CD-CG 4.37Å; K711-L884 HydrophobicContact CG-CD2 4.42Å; L884-P886 VanDerWaalsContact O-CD 3.24Å; L884-P886 WeakPolarHBondContact O-CD 3.31Å; L884-L891 HydrophobicContact CD2-CB 4.15Å |
| 885 | L | 63 | Low | 70 | Confident | 64 Ų | 64 | 71.6 Ų | 71.6 | 34% | 0.335 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -112.3 | 86 | 174.9 | -66.1 | 171.9 | 0 | 0 | 0 | 107.3 | K883 G887 H888 G889 L891 R894 | K883-L885 VanDerWaalsContact C-N 3.31Å; K883-L885 PolarHBondContact O-N 3.18Å; L885-G887 PolarHBondContact O-N 2.95Å; L885-H888 HydrophobicContact CB-CB 3.88Å; L885-H888 PolarHBondContact O-N 2.96Å; L885-G889 PolarHBondContact O-N 3.44Å; L885-L891 HydrophobicContact CD1-CD1 4.22Å; L885-R894 HydrophobicContact CD1-CG 3.64Å |
| 886 | P | 56.8 | Low | 70.2 | Confident | 112 Ų | 112 | 65.8 Ų | 65.8 | 73% | 0.727 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 135 | 179.7 | -5.2 | 4 | 0 | 0 | 0 | 110.4 | L884 H888 | L884-P886 VanDerWaalsContact O-CD 3.24Å; L884-P886 WeakPolarHBondContact O-CD 3.31Å; P886-H888 VanDerWaalsContact C-N 3.29Å; P886-H888 PolarHBondContact O-N 3.41Å; P886-H888 PolarHBondContact O-ND1 3.48Å |
| 887 | G | 64.7 | Low | 70.7 | Confident | 87 Ų | 87 | 60.9 Ų | 60.9 | 90% | 0.897 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | -15.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | L885 | L885-G887 PolarHBondContact O-N 2.95Š|
| 888 | H | 63.6 | Low | 70.8 | Confident | 103 Ų | 103 | 58.4 Ų | 58.4 | 48% | 0.477 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -2.6 | -175.9 | -62.6 | 76.2 | 0 | 0 | 0 | 114.3 | L885 P886 D893 R894 | L885-H888 HydrophobicContact CB-CB 3.88Å; L885-H888 PolarHBondContact O-N 2.96Å; P886-H888 VanDerWaalsContact C-N 3.29Å; P886-H888 PolarHBondContact O-N 3.41Å; P886-H888 PolarHBondContact O-ND1 3.48Å; H888-D893 WeakPolarHBondContact O-CB 3.44Å; H888-R894 PolarHBondContact O-NH2 3.01Å |
| 889 | G | 60.8 | Low | 70.6 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 2.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | D880 S881 G882 L885 D893 | D880-G889 CarbonylContact C-O 3.46Å; S881-G889 CarbonylContact C-O 3.56Å; S881-G889 PolarHBondContact N-O 3.05Å; G882-G889 CarbonylContact C-O 3.55Å; G882-G889 PolarHBondContact N-O 2.95Å; G882-G889 CarbonylContact O-C 3.59Å; L885-G889 PolarHBondContact O-N 3.44Å; G889-D893 WeakPolarHBondContact CA-OD2 3.44Å |
| 890 | G | 67.8 | Low | 70.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | 101.2 | 175.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D893 | G890-D893 WeakPolarHBondContact O-CB 3.49Å; G890-D893 PolarHBondContact O-N 2.79Å | ||
| 891 | L | 70 | Confident | 70 | Confident | 58 Ų | 58 | 50.7 Ų | 50.7 | 30% | 0.304 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -66.2 | -41.8 | -170.8 | -167.8 | 72.6 | 0 | 0 | 0 | 114.1 | K711 L884 L885 D893 R894 | K711-L891 HydrophobicContact CB-CB 4.24Å; K711-L891 HydrophobicContact CB-CD2 3.87Å; K711-L891 HydrophobicContact CD-CB 3.91Å; K711-L891 HydrophobicContact CG-CB 4.11Å; K711-L891 HydrophobicContact CG-CD2 4.42Å; K711-L891 WeakPolarHBondContact O-CD2 3.47Å; L884-L891 HydrophobicContact CD2-CB 4.15Å; L885-L891 HydrophobicContact CD1-CD1 4.22Å; L891-D893 PolarHBondContact O-N 3.21Å; L891-R894 WeakPolarHBondContact O-CB 3.38Å; L891-R894 PolarHBondContact O-N 2.91Å |
| 892 | L | 69.4 | Low | 69.7 | Low | 59 Ų | 59 | 49.1 Ų | 49.1 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.1 | -33.6 | 176.1 | -102.1 | 128.4 | 0 | 0 | 0 | 111.6 | S881 R894 I895 D896 | S881-L892 VanDerWaalsContact CB-CB 3.44Å; L892-R894 PolarHBondContact O-N 2.85Å; L892-R894 VanDerWaalsContact O-N 3.11Å; L892-I895 HydrophobicContact CD2-CD1 4.25Å; L892-I895 HydrophobicContact CG-CD1 4.14Å; L892-I895 VanDerWaalsContact O-CG1 3.25Å; L892-I895 WeakPolarHBondContact O-CG1 3.43Å; L892-I895 PolarHBondContact O-N 2.88Å; L892-I895 VanDerWaalsContact O-N 3.08Å; L892-D896 PolarHBondContact O-N 2.74Å; L892-D896 VanDerWaalsContact O-OD1 3.11Å |
| 893 | D | 76 | Confident | 68.5 | Low | 10 Ų | 10 | 51.5 Ų | 51.5 | 5% | 0.053 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.4 | -2.6 | 175.6 | -66.7 | -16.8 | 0 | 0 | 0 | 113.9 | K873 D880 S881 H888 G889 G890 L891 | K873-D893 WeakPolarHBondContact CD-OD1 3.32Å; K873-D893 VanDerWaalsContact NZ-CG 3.35Å; K873-D893 IonicContact NZ-OD1 3.08Å; K873-D893 PolarHBondContact NZ-OD1 3.33Å; K873-D893 IonicContact NZ-OD2 3Å; D880-D893 WeakPolarHBondContact CA-OD2 3.47Å; S881-D893 VanDerWaalsContact CB-OD1 3.23Å; S881-D893 WeakPolarHBondContact CB-OD1 3.5Å; S881-D893 PolarHBondContact N-OD1 3.49Å; S881-D893 PolarHBondContact N-OD2 2.96Å; S881-D893 PolarHBondContact OG-OD1 3.2Å; H888-D893 WeakPolarHBondContact O-CB 3.44Å; G889-D893 WeakPolarHBondContact CA-OD2 3.44Å; G890-D893 WeakPolarHBondContact O-CB 3.49Å; G890-D893 PolarHBondContact O-N 2.79Å; L891-D893 PolarHBondContact O-N 3.21Å |
| 894 | R | 78.3 | Confident | 67.1 | Low | 69 Ų | 69 | 46.9 Ų | 46.9 | 26% | 0.26 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -93.6 | -28.9 | 169.2 | -61.8 | -61.4 | 87 | -170.4 | 0.5 | 112.3 | L885 H888 L891 L892 | L885-R894 HydrophobicContact CD1-CG 3.64Å; H888-R894 PolarHBondContact O-NH2 3.01Å; L891-R894 WeakPolarHBondContact O-CB 3.38Å; L891-R894 PolarHBondContact O-N 2.91Å; L892-R894 PolarHBondContact O-N 2.85Å; L892-R894 VanDerWaalsContact O-N 3.11Å |
| 895 | I | 76.6 | Confident | 65.8 | Low | 41 Ų | 41 | 46.6 Ų | 46.6 | 21% | 0.21 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -92.5 | -2.3 | -179.6 | 69.6 | -175.3 | 0 | 0 | 0 | 112.9 | L765 L892 S897 L898 I899 | L765-I895 HydrophobicContact CD1-CD1 3.76Å; L765-I895 HydrophobicContact CD2-CB 4.37Å; L765-I895 HydrophobicContact CD2-CD1 4.19Å; L892-I895 HydrophobicContact CD2-CD1 4.25Å; L892-I895 HydrophobicContact CG-CD1 4.14Å; L892-I895 VanDerWaalsContact O-CG1 3.25Å; L892-I895 WeakPolarHBondContact O-CG1 3.43Å; L892-I895 PolarHBondContact O-N 2.88Å; L892-I895 VanDerWaalsContact O-N 3.08Å; I895-S897 VanDerWaalsContact C-N 3.26Å; I895-S897 PolarHBondContact O-N 2.8Å; I895-L898 HydrophobicContact CB-CB 4.4Å; I895-L898 HydrophobicContact CB-CD1 4.24Å; I895-L898 HydrophobicContact CG2-CD1 4.06Å; I895-L898 WeakPolarHBondContact O-CA 3.49Å; I895-L898 WeakPolarHBondContact O-CB 3.46Å; I895-L898 PolarHBondContact O-N 3.05Å; I895-I899 PolarHBondContact O-N 2.89Å |
| 896 | D | 81.8 | Confident | 64.7 | Low | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -47 | 179.6 | -78.1 | -12.4 | 0 | 0 | 0 | 112.4 | G865 M869 K873 L892 | G865-D896 CarbonylContact C-O 3.55Å; G865-D896 WeakPolarHBondContact CA-O 3.38Å; M869-D896 HydrophobicContact CB-CB 3.81Å; M869-D896 VanDerWaalsContact CB-CG 3.44Å; M869-D896 VanDerWaalsContact CB-OD1 3.28Å; M869-D896 WeakPolarHBondContact CB-OD1 3.39Å; M869-D896 HydrophobicContact CG-CB 4.06Å; K873-D896 IonicContact NZ-OD2 3.59Å; K873-D896 PolarHBondContact NZ-OD2 3.17Å; L892-D896 PolarHBondContact O-N 2.74Å; L892-D896 VanDerWaalsContact O-OD1 3.11Å |
| 897 | S | 82 | Confident | 64.8 | Low | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -29.5 | 177 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | D797 G862 I895 T901 | D797-S897 PolarHBondContact OD1-OG 3.19Å; D797-S897 WeakPolarHBondContact OD2-CB 3.38Å; D797-S897 PolarHBondContact OD2-OG 3.32Å; G862-S897 WeakPolarHBondContact O-CB 3.28Å; G862-S897 PolarHBondContact O-OG 2.92Å; I895-S897 VanDerWaalsContact C-N 3.26Å; I895-S897 PolarHBondContact O-N 2.8Å; S897-T901 VanDerWaalsContact O-CG2 3.27Å; S897-T901 WeakPolarHBondContact O-CG2 3.45Å |
| 898 | L | 78.5 | Confident | 65.7 | Low | 17 Ų | 17 | 46.2 Ų | 46.2 | 9% | 0.089 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -71.2 | -33.2 | -174.1 | -75.1 | 166.8 | 0 | 0 | 0 | 113.6 | L789 L790 T793 I895 F900 T901 | L789-L898 HydrophobicContact CD2-CD2 4.49Å; L789-L898 HydrophobicContact CG-CD2 4.18Å; L790-L898 HydrophobicContact CD2-CD1 3.36Å; L790-L898 HydrophobicContact CD2-CD2 3.8Å; L790-L898 HydrophobicContact CD2-CG 4.23Å; T793-L898 HydrophobicContact CG2-CD2 3.81Å; T793-L898 HydrophobicContact CG2-CG 3.96Å; I895-L898 HydrophobicContact CB-CB 4.4Å; I895-L898 HydrophobicContact CB-CD1 4.24Å; I895-L898 HydrophobicContact CG2-CD1 4.06Å; I895-L898 WeakPolarHBondContact O-CA 3.49Å; I895-L898 WeakPolarHBondContact O-CB 3.46Å; I895-L898 PolarHBondContact O-N 3.05Å; L898-F900 PolarHBondContact O-N 3.4Å; L898-F900 VanDerWaalsContact O-N 3.09Å; L898-T901 WeakPolarHBondContact CA-OG1 3.41Å; L898-T901 PolarHBondContact O-N 3.4Å; L898-T901 PolarHBondContact O-OG1 2.93Å |
| 899 | I | 73.4 | Confident | 67 | Low | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -50.9 | -37 | -178.2 | -68.8 | 171.3 | 0 | 0 | 0 | 112 | M760 A764 L765 M869 I895 | M760-I899 HydrophobicContact CB-CG2 4.32Å; M760-I899 HydrophobicContact SD-CG2 3.77Å; A764-I899 HydrophobicContact CB-CB 4.26Å; A764-I899 HydrophobicContact CB-CG2 3.51Å; A764-I899 VanDerWaalsContact CB-O 3.32Å; A764-I899 WeakPolarHBondContact CB-O 3.12Å; L765-I899 HydrophobicContact CD1-CG1 4.3Å; L765-I899 HydrophobicContact CG-CG1 4.43Å; M869-I899 HydrophobicContact CE-CD1 4.3Å; M869-I899 HydrophobicContact CG-CD1 3.94Å; M869-I899 HydrophobicContact SD-CD1 3.73Å; I895-I899 PolarHBondContact O-N 2.89Å |
| 900 | F | 73.4 | Confident | 68.6 | Low | 90 Ų | 90 | 41 Ų | 41 | 40% | 0.395 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -95.7 | -3.9 | -179.2 | -83.5 | -107 | 0 | 0 | 0 | 114.3 | M760 L898 | M760-F900 HydrophobicContact CE-CE2 3.68Å; M760-F900 HydrophobicContact CE-CZ 4.17Å; M760-F900 HydrophobicContact SD-CE2 3.85Å; M760-F900 HydrophobicContact SD-CZ 4.33Å; L898-F900 PolarHBondContact O-N 3.4Å; L898-F900 VanDerWaalsContact O-N 3.09Å |
| 901 | T | 69 | Low | 70 | Confident | 21 Ų | 21 | 41 Ų | 41 | 13% | 0.129 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -8.5 | -175 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | T793 I858 S861 S897 L898 | T793-T901 HydrophobicContact CG2-CG2 4.36Å; I858-T901 HydrophobicContact CG2-CG2 4.34Å; S861-T901 VanDerWaalsContact OG-CG2 3.31Å; S861-T901 WeakPolarHBondContact OG-CG2 3.37Å; S897-T901 VanDerWaalsContact O-CG2 3.27Å; S897-T901 WeakPolarHBondContact O-CG2 3.45Å; L898-T901 WeakPolarHBondContact CA-OG1 3.41Å; L898-T901 PolarHBondContact O-N 3.4Å; L898-T901 PolarHBondContact O-OG1 2.93Å |
| 902 | A | 56.8 | Low | 71.2 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | trans | -91.1 | -32.3 | -163.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | A764 H767 A768 | A764-A902 WeakPolarHBondContact O-CB 3.44Å; H767-A902 HydrophobicContact CB-CB 3.72Å; A768-A902 HydrophobicContact CB-CB 4.44Å | ||
| 903 | P | 42.5 | Very low | 72.5 | Confident | 73 Ų | 73 | 35.5 Ų | 35.5 | 47% | 0.474 | 21% | 0.208 | S | C | . | . | trans | -85 | 127.9 | -173.1 | -10.3 | 26.5 | 0 | 0 | 0 | 115.6 | ||||
| 904 | P | 39.9 | Very low | 73.4 | Confident | 97 Ų | 97 | 35.5 Ų | 35.5 | 63% | 0.63 | 21% | 0.208 | S | C | * | . | trans | -157 | 144.6 | 135.2 | 33.9 | -12.9 | 0 | 0 | 0 | 119.3 | W770 | W770-P904 WeakPolarHBondContact CZ3-O 3.08Š| ||
| 905 | G | 36.9 | Very low | 74.1 | Confident | 58 Ų | 58 | 32.4 Ų | 32.4 | 60% | 0.598 | 20% | 0.196 | S | C | * | . | trans | 109 | 134.5 | 139.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 906 | A | 40.9 | Very low | 74.5 | Confident | 87 Ų | 87 | 31.3 Ų | 31.3 | 72% | 0.719 | 20% | 0.195 | S | C | * | . | trans | -73.2 | 149 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 907 | K | 59.1 | Low | 74.9 | Confident | 115 Ų | 115 | 32.5 Ų | 32.5 | 50% | 0.5 | 20% | 0.2 | S | C | . | . | trans | -71.1 | 128.1 | -172.7 | -69.1 | -178 | 178.3 | 177.1 | 0 | 113.7 | S976 V978 | K907-S976 PolarHBondContact NZ-O 3.09Å; K907-V978 HydrophobicContact CB-CG1 4.2Å | ||
| 908 | K | 82.1 | Confident | 75.4 | Confident | 53 Ų | 53 | 32.5 Ų | 32.5 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 149.9 | 171.5 | -61.1 | 165.5 | -174.9 | 158.9 | 0 | 109.9 | M932 D934 T935 A936 Y1157 | K908-M932 HydrophobicContact CD-CE 4.13Å; K908-D934 WeakPolarHBondContact CE-OD2 3.29Å; K908-D934 IonicContact NZ-OD1 3.41Å; K908-D934 IonicContact NZ-OD2 3.25Å; K908-D934 PolarHBondContact NZ-OD2 3.28Å; K908-T935 HydrophobicContact CB-CG2 3.86Å; K908-T935 WeakPolarHBondContact CB-OG1 3.2Å; K908-T935 CarbonylContact O-C 3.56Å; K908-T935 WeakPolarHBondContact O-CA 3.35Å; K908-A936 PolarHBondContact O-N 3.43Å; K908-Y1157 HydrophobicContact CB-CD1 4.45Å; K908-Y1157 HydrophobicContact CB-CE1 3.96Å; K908-Y1157 HydrophobicContact CB-CE2 4.06Å; K908-Y1157 HydrophobicContact CD-CD1 4.43Å; K908-Y1157 HydrophobicContact CD-CD2 4.04Å; K908-Y1157 HydrophobicContact CD-CE2 4.31Å; K908-Y1157 HydrophobicContact CD-CG 4.1Å; K908-Y1157 HydrophobicContact CG-CD1 3.84Å; K908-Y1157 HydrophobicContact CG-CD2 4.18Å; K908-Y1157 HydrophobicContact CG-CE1 3.85Å; K908-Y1157 HydrophobicContact CG-CE2 4.17Å; K908-Y1157 HydrophobicContact CG-CG 4.02Å |
| 909 | V | 90.9 | Very high | 76.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 127.3 | 177.9 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | V911 A936 Y938 V978 V983 V984 Y1157 | V909-V911 HydrophobicContact CG1-CG2 4.45Å; V909-A936 CarbonylContact C-O 3.42Å; V909-A936 WeakPolarHBondContact CA-O 3.42Å; V909-A936 HydrophobicContact CG2-CB 4.39Å; V909-Y938 HydrophobicContact CG1-CD2 3.96Å; V909-Y938 HydrophobicContact CG1-CE2 4.01Å; V909-V978 HydrophobicContact CB-CG2 4.45Å; V909-V978 HydrophobicContact CG2-CG2 3.57Å; V909-V983 HydrophobicContact CB-CG2 4.23Å; V909-V983 HydrophobicContact CG1-CG1 4.49Å; V909-V983 HydrophobicContact CG1-CG2 4.19Å; V909-V983 WeakPolarHBondContact O-CA 3.47Å; V909-V984 PolarHBondContact O-N 3.39Å; V909-Y1157 PolarHBondContact N-OH 2.81Å; V909-Y1157 PolarHBondContact O-OH 3.23Å |
| 910 | I | 95.1 | Very high | 77.1 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 129.9 | 174.9 | -67.3 | 175.2 | 0 | 0 | 0 | 110.6 | L912 M932 T935 A936 F937 Y938 V984 I986 I1153 | I910-L912 HydrophobicContact CG2-CD2 3.65Å; I910-L912 HydrophobicContact CG2-CG 4.44Å; I910-M932 HydrophobicContact CD1-CE 4.37Å; I910-M932 HydrophobicContact CD1-SD 3.83Å; I910-T935 HydrophobicContact CB-CG2 4.05Å; I910-T935 HydrophobicContact CD1-CG2 3.7Å; I910-T935 HydrophobicContact CG1-CG2 3.59Å; I910-A936 PolarHBondContact N-O 2.98Å; I910-F937 HydrophobicContact CB-CD1 3.74Å; I910-F937 HydrophobicContact CB-CE1 3.7Å; I910-F937 HydrophobicContact CB-CG 4.47Å; I910-F937 HydrophobicContact CB-CZ 4.39Å; I910-F937 HydrophobicContact CD1-CE1 3.72Å; I910-F937 HydrophobicContact CD1-CZ 3.81Å; I910-F937 HydrophobicContact CG1-CE1 4.27Å; I910-F937 HydrophobicContact CG2-CD1 3.76Å; I910-F937 HydrophobicContact CG2-CE1 3.67Å; I910-F937 VanDerWaalsContact O-CA 3.31Å; I910-F937 WeakPolarHBondContact O-CA 3.31Å; I910-Y938 PolarHBondContact O-N 2.87Å; I910-V984 CarbonylContact C-O 3.57Å; I910-V984 VanDerWaalsContact CA-O 3.28Å; I910-V984 WeakPolarHBondContact CA-O 3.49Å; I910-V984 HydrophobicContact CG1-CB 4.19Å; I910-I986 HydrophobicContact CG2-CD1 3.79Å; I910-I986 HydrophobicContact CG2-CG1 3.98Å; I910-I1153 HydrophobicContact CD1-CD1 4.34Å; I910-I1153 HydrophobicContact CD1-CG2 4.29Å |
| 911 | V | 96.6 | Very high | 77.9 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.6 | 177.1 | -171.1 | 0 | 0 | 0 | 0 | 111 | V909 F913 Y938 F968 V969 A972 V983 V984 V985 I986 | V909-V911 HydrophobicContact CG1-CG2 4.45Å; V911-F913 HydrophobicContact CB-CE2 4.34Å; V911-F913 HydrophobicContact CG1-CD2 4.34Å; V911-F913 HydrophobicContact CG1-CE2 3.57Å; V911-F913 HydrophobicContact CG1-CZ 4Å; V911-Y938 CarbonylContact C-O 3.5Å; V911-Y938 WeakPolarHBondContact CA-O 3.45Å; V911-F968 HydrophobicContact CG1-CD1 3.91Å; V911-F968 HydrophobicContact CG1-CE1 3.68Å; V911-V969 HydrophobicContact CG1-CG2 4.24Å; V911-A972 HydrophobicContact CG2-CB 4.01Å; V911-V983 HydrophobicContact CG2-CG1 3.68Å; V911-V984 PolarHBondContact N-O 3.45Å; V911-V985 HydrophobicContact CB-CG2 4.38Å; V911-V985 WeakPolarHBondContact O-CA 3.4Å; V911-I986 PolarHBondContact O-N 2.92Å |
| 912 | L | 96.8 | Very high | 79.1 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130 | -171 | -52.9 | -178.9 | 0 | 0 | 0 | 112.5 | I910 L923 L926 V927 F937 Y938 A939 W940 I986 | I910-L912 HydrophobicContact CG2-CD2 3.65Å; I910-L912 HydrophobicContact CG2-CG 4.44Å; L912-L923 HydrophobicContact CB-CD1 3.78Å; L912-L923 HydrophobicContact CD1-CB 4.29Å; L912-L926 HydrophobicContact CD1-CB 4.36Å; L912-L926 HydrophobicContact CD2-CD2 4.18Å; L912-V927 HydrophobicContact CD1-CG2 3.72Å; L912-F937 HydrophobicContact CD1-CD1 4.15Å; L912-F937 HydrophobicContact CD2-CD1 4.39Å; L912-F937 HydrophobicContact CG-CD1 4.36Å; L912-Y938 PolarHBondContact N-O 3.2Å; L912-A939 HydrophobicContact CB-CB 4.13Å; L912-W940 PolarHBondContact O-N 3.4Å; L912-I986 CarbonylContact C-O 3.21Å; L912-I986 WeakPolarHBondContact CA-O 3.24Å; L912-I986 HydrophobicContact CD2-CB 3.78Å; L912-I986 HydrophobicContact CD2-CD1 3.98Å; L912-I986 HydrophobicContact CD2-CG1 4.16Å |
| 913 | F | 96.6 | Very high | 80.7 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 123.3 | 178.5 | -70.3 | -90.7 | 0 | 0 | 0 | 112.6 | V911 W940 V965 F968 V969 V985 I986 A987 Q988 V995 | V911-F913 HydrophobicContact CB-CE2 4.34Å; V911-F913 HydrophobicContact CG1-CD2 4.34Å; V911-F913 HydrophobicContact CG1-CE2 3.57Å; V911-F913 HydrophobicContact CG1-CZ 4Å; F913-W940 HydrophobicContact CD1-CB 4.28Å; F913-W940 HydrophobicContact CD1-CD2 4.15Å; F913-W940 AromaticContact CD1-CE3 3.41Å; F913-W940 HydrophobicContact CD1-CE3 3.41Å; F913-W940 VanDerWaalsContact CD1-CE3 3.41Å; F913-W940 AromaticContact CD1-CZ3 3.95Å; F913-W940 HydrophobicContact CD1-CZ3 3.95Å; F913-W940 HydrophobicContact CE1-CB 3.99Å; F913-W940 AromaticContact CE1-CD2 3.88Å; F913-W940 HydrophobicContact CE1-CD2 3.88Å; F913-W940 AromaticContact CE1-CE3 3.56Å; F913-W940 HydrophobicContact CE1-CE3 3.56Å; F913-W940 HydrophobicContact CE1-CG 4.12Å; F913-W940 HydrophobicContact CE1-CZ3 4.16Å; F913-V965 HydrophobicContact CD1-CG2 4.31Å; F913-V965 HydrophobicContact CE1-CB 4.22Å; F913-V965 HydrophobicContact CE1-CG1 4Å; F913-V965 HydrophobicContact CE1-CG2 3.71Å; F913-V965 HydrophobicContact CE2-CG1 4.32Å; F913-V965 HydrophobicContact CZ-CB 4.3Å; F913-V965 HydrophobicContact CZ-CG1 3.66Å; F913-V965 HydrophobicContact CZ-CG2 4.25Å; F913-F968 HydrophobicContact CZ-CD1 4.26Å; F913-V969 HydrophobicContact CE2-CG2 4.23Å; F913-V969 HydrophobicContact CZ-CG2 4.05Å; F913-V985 HydrophobicContact CD2-CG1 3.62Å; F913-V985 HydrophobicContact CE2-CG1 3.68Å; F913-I986 PolarHBondContact N-O 2.9Å; F913-A987 HydrophobicContact CB-CB 3.81Å; F913-Q988 PolarHBondContact O-N 3.35Å; F913-V995 HydrophobicContact CB-CG2 4.23Å; F913-V995 HydrophobicContact CD1-CG2 4.21Å; F913-V995 HydrophobicContact CD2-CG2 3.53Å; F913-V995 HydrophobicContact CE2-CG2 3.91Å; F913-V995 HydrophobicContact CG-CG2 3.71Å; F913-V995 HydrophobicContact CZ-CG2 4.44Å |
| 914 | H | 94 | Very high | 83 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 168.4 | -173.7 | 66.1 | 73.2 | 0 | 0 | 0 | 114 | E918 L923 W940 A942 G991 | H914-E918 HydrophobicContact CB-CB 4.31Å; H914-E918 PolarHBondContact CE1-O 2.61Å; H914-E918 VanDerWaalsContact CE1-O 3.24Å; H914-E918 PolarHBondContact ND1-O 2.9Å; H914-L923 HydrophobicContact CB-CD1 3.95Å; H914-L923 HydrophobicContact CB-CD2 4.5Å; H914-L923 HydrophobicContact CB-CG 4.28Å; H914-W940 PolarHBondContact CD2-O 3.31Å; H914-A942 PolarHBondContact NE2-N 2.91Å; H914-A942 VanDerWaalsContact NE2-N 3.15Å; H914-G991 WeakPolarHBondContact O-CA 3.47Å; H914-G991 PolarHBondContact O-N 2.96Å |
| 915 | R | 92.5 | Very high | 85.5 | Confident | 5 Ų | 5 | 29 Ų | 29 | 2% | 0.019 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -72.2 | 166.4 | 174.6 | -60.5 | -176.8 | -72.3 | -176.8 | -11.4 | 112.5 | E918 Q988 D1135 | R915-E918 HydrophobicContact CB-CG 4.21Å; R915-E918 IonicContact CZ-OE1 2.95Å; R915-E918 IonicContact CZ-OE2 2.9Å; R915-E918 IonicContact NE-OE1 3.45Å; R915-E918 IonicContact NE-OE2 3.94Å; R915-E918 PolarHBondContact NE-OE2 3.27Å; R915-E918 IonicContact NH2-OE1 3.38Å; R915-E918 PolarHBondContact NH2-OE1 3.43Å; R915-E918 IonicContact NH2-OE2 3.67Å; R915-E918 PolarHBondContact NH2-OE2 3.06Å; R915-E918 PolarHBondContact O-N 3.24Å; R915-Q988 HydrophobicContact CG-CB 3.91Å; R915-Q988 HydrophobicContact CG-CG 3.69Å; R915-D1135 IonicContact CZ-OD1 2.77Å; R915-D1135 IonicContact CZ-OD2 3.51Å; R915-D1135 VanDerWaalsContact CZ-OD2 3.23Å; R915-D1135 IonicContact NE-OD1 3.61Å; R915-D1135 IonicContact NH1-OD1 3.37Å; R915-D1135 PolarHBondContact NH1-OD1 3.08Å; R915-D1135 IonicContact NH1-OD2 2.61Å; R915-D1135 PolarHBondContact NH1-OD2 2.93Å; R915-D1135 IonicContact NH2-OD1 2.63Å; R915-D1135 PolarHBondContact NH2-OD1 2.84Å; R915-D1135 IonicContact NH2-OD2 2.71Å; R915-D1135 PolarHBondContact NH2-OD2 3.35Å |
| 916 | G | 85.8 | Confident | 88.1 | Confident | 17 Ų | 17 | 26.3 Ų | 26.3 | 18% | 0.175 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 143.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E918 | G916-E918 PolarHBondContact O-N 2.93Š|
| 917 | H | 90.2 | Very high | 90.4 | Very high | 28 Ų | 28 | 22.7 Ų | 22.7 | 13% | 0.13 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | -13.1 | -177.2 | -46.6 | -66 | 0 | 0 | 0 | 116.6 | S1043 I1066 T1067 | H917-S1043 VanDerWaalsContact NE2-CB 3.25Å; H917-S1043 WeakPolarHBondContact NE2-CB 3.38Å; H917-S1043 PolarHBondContact NE2-OG 3.26Å; H917-S1043 VanDerWaalsContact NE2-OG 3.15Å; H917-I1066 WeakPolarHBondContact O-CA 3.32Å; H917-T1067 WeakPolarHBondContact CB-O 3.34Å; H917-T1067 VanDerWaalsContact CG-O 3.28Å; H917-T1067 PolarHBondContact ND1-O 3.4Å; H917-T1067 PolarHBondContact O-N 3.27Å |
| 918 | E | 92.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | trans | -92.5 | -165.3 | -177.1 | -62.3 | -157.7 | 133.7 | 0 | 0 | 113.6 | H914 R915 G916 R922 H945 F1060 I1066 | H914-E918 HydrophobicContact CB-CB 4.31Å; H914-E918 PolarHBondContact CE1-O 2.61Å; H914-E918 VanDerWaalsContact CE1-O 3.24Å; H914-E918 PolarHBondContact ND1-O 2.9Å; R915-E918 HydrophobicContact CB-CG 4.21Å; R915-E918 IonicContact CZ-OE1 2.95Å; R915-E918 IonicContact CZ-OE2 2.9Å; R915-E918 IonicContact NE-OE1 3.45Å; R915-E918 IonicContact NE-OE2 3.94Å; R915-E918 PolarHBondContact NE-OE2 3.27Å; R915-E918 IonicContact NH2-OE1 3.38Å; R915-E918 PolarHBondContact NH2-OE1 3.43Å; R915-E918 IonicContact NH2-OE2 3.67Å; R915-E918 PolarHBondContact NH2-OE2 3.06Å; R915-E918 PolarHBondContact O-N 3.24Å; G916-E918 PolarHBondContact O-N 2.93Å; E918-R922 IonicContact OE1-CZ 3.65Å; E918-R922 IonicContact OE1-NE 3.65Å; E918-R922 PolarHBondContact OE1-NE 2.91Å; E918-R922 IonicContact OE1-NH2 3.38Å; E918-H945 WeakPolarHBondContact O-CB 3.33Å; E918-F1060 HydrophobicContact CG-CD2 4.39Å; E918-F1060 HydrophobicContact CG-CE2 4Å; E918-F1060 WeakPolarHBondContact OE1-CD2 3.27Å; E918-I1066 HydrophobicContact CB-CD1 4.25Å; E918-I1066 HydrophobicContact CG-CD1 3.87Å | ||
| 919 | H | 94.3 | Very high | 92 | Very high | 18 Ų | 18 | 19.6 Ų | 19.6 | 8% | 0.083 | 11% | 0.112 | C | C | . | . | trans | -150.2 | 163.9 | 176.6 | 66.1 | 88 | 0 | 0 | 0 | 110.4 | G921 R922 D941 D1063 L1065 | H919-G921 VanDerWaalsContact C-N 3.33Å; H919-G921 PolarHBondContact ND1-N 3.49Å; H919-G921 PolarHBondContact O-N 2.7Å; H919-R922 PolarHBondContact O-N 3.07Å; H919-R922 VanDerWaalsContact O-N 3.16Å; H919-D941 WeakPolarHBondContact CB-OD1 3.39Å; H919-D1063 IonicContact CD2-OD2 3.31Å; H919-D1063 IonicContact NE2-OD1 3.19Å; H919-D1063 IonicContact NE2-OD2 2.86Å; H919-D1063 PolarHBondContact NE2-OD2 3.24Å; H919-D1063 VanDerWaalsContact NE2-OD2 3.08Å; H919-L1065 VanDerWaalsContact CD2-CB 3.41Å; H919-L1065 WeakPolarHBondContact CD2-CB 3.19Å | ||
| 920 | S | 93.5 | Very high | 91.9 | Very high | 27 Ų | 27 | 19.7 Ų | 19.7 | 19% | 0.189 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -52.1 | -41.9 | -176.9 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | R922 L923 D941 | S920-R922 PolarHBondContact O-N 3.23Å; S920-L923 VanDerWaalsContact O-CB 3.26Å; S920-L923 WeakPolarHBondContact O-CB 3.07Å; S920-L923 PolarHBondContact O-N 3.5Å; S920-D941 WeakPolarHBondContact CA-OD1 3.5Å; S920-D941 WeakPolarHBondContact CB-OD1 3.31Å; S920-D941 PolarHBondContact N-OD1 3.2Å; S920-D941 PolarHBondContact OG-OD1 3.38Å |
| 921 | G | 91.1 | Very high | 91.2 | Very high | 45 Ų | 45 | 21.8 Ų | 21.8 | 46% | 0.464 | 13% | 0.13 | S | C | . | . | G | 310 helix | trans | -56.7 | -23.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | H919 L923 Q924 | H919-G921 VanDerWaalsContact C-N 3.33Å; H919-G921 PolarHBondContact ND1-N 3.49Å; H919-G921 PolarHBondContact O-N 2.7Å; G921-L923 PolarHBondContact O-N 2.95Å; G921-Q924 PolarHBondContact O-N 3.15Å |
| 922 | R | 92.3 | Very high | 90.4 | Very high | 19 Ų | 19 | 22.8 Ų | 22.8 | 7% | 0.072 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -77.3 | -4.7 | 175.1 | -60.3 | -173.5 | 63.1 | 72.8 | 10.6 | 113.7 | E918 H919 S920 H925 R1056 S1059 D1063 | E918-R922 IonicContact OE1-CZ 3.65Å; E918-R922 IonicContact OE1-NE 3.65Å; E918-R922 PolarHBondContact OE1-NE 2.91Å; E918-R922 IonicContact OE1-NH2 3.38Å; H919-R922 PolarHBondContact O-N 3.07Å; H919-R922 VanDerWaalsContact O-N 3.16Å; S920-R922 PolarHBondContact O-N 3.23Å; R922-H925 PolarHBondContact O-CE1 3.35Å; R922-H925 PolarHBondContact O-ND1 3.48Å; R922-H925 VanDerWaalsContact O-ND1 3.17Å; R922-R1056 PolarHBondContact O-NH2 3.46Å; R922-S1059 PolarHBondContact NH1-OG 3.17Å; R922-D1063 WeakPolarHBondContact CD-OD2 3.32Å; R922-D1063 IonicContact CZ-OD2 3.23Å; R922-D1063 IonicContact NH1-OD2 3.36Å; R922-D1063 PolarHBondContact NH1-OD2 3.45Å |
| 923 | L | 92 | Very high | 89.1 | Confident | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -98.3 | -0.9 | 177 | -54.7 | 175.8 | 0 | 0 | 0 | 112.9 | L912 H914 S920 G921 H925 L926 | L912-L923 HydrophobicContact CB-CD1 3.78Å; L912-L923 HydrophobicContact CD1-CB 4.29Å; H914-L923 HydrophobicContact CB-CD1 3.95Å; H914-L923 HydrophobicContact CB-CD2 4.5Å; H914-L923 HydrophobicContact CB-CG 4.28Å; S920-L923 VanDerWaalsContact O-CB 3.26Å; S920-L923 WeakPolarHBondContact O-CB 3.07Å; S920-L923 PolarHBondContact O-N 3.5Å; G921-L923 PolarHBondContact O-N 2.95Å; L923-H925 PolarHBondContact O-N 2.61Å; L923-L926 HydrophobicContact CD2-CD1 4.43Å; L923-L926 HydrophobicContact CD2-CD2 4.26Å; L923-L926 WeakPolarHBondContact O-CB 3.22Å; L923-L926 PolarHBondContact O-N 3.03Å |
| 924 | Q | 90.7 | Very high | 87.9 | Confident | 94 Ų | 94 | 28 Ų | 28 | 44% | 0.439 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -52.5 | -40.8 | -179.2 | -177.7 | 60.4 | 51.4 | 0 | 0 | 112 | G921 L926 V927 D928 | G921-Q924 PolarHBondContact O-N 3.15Å; Q924-L926 PolarHBondContact O-N 3.32Å; Q924-L926 VanDerWaalsContact O-N 3.17Å; Q924-V927 WeakPolarHBondContact O-CB 3.33Å; Q924-V927 PolarHBondContact O-N 3.05Å; Q924-D928 PolarHBondContact NE2-OD1 3.24Å; Q924-D928 VanDerWaalsContact O-CG 3.29Å; Q924-D928 PolarHBondContact O-N 3.38Å |
| 925 | H | 91.1 | Very high | 87.3 | Confident | 25 Ų | 25 | 27.8 Ų | 27.8 | 12% | 0.116 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.8 | -23.8 | 178.9 | 75.7 | -65.9 | 0 | 0 | 0 | 113.3 | R922 L923 V927 D928 E929 R1056 L1137 | R922-H925 PolarHBondContact O-CE1 3.35Å; R922-H925 PolarHBondContact O-ND1 3.48Å; R922-H925 VanDerWaalsContact O-ND1 3.17Å; L923-H925 PolarHBondContact O-N 2.61Å; H925-V927 VanDerWaalsContact C-N 3.34Å; H925-D928 PolarHBondContact O-N 3.32Å; H925-E929 IonicContact CD2-OE1 3.24Å; H925-E929 PolarHBondContact CD2-OE1 3.49Å; H925-E929 WeakPolarHBondContact O-CB 3.48Å; H925-E929 VanDerWaalsContact O-CG 3.27Å; H925-E929 WeakPolarHBondContact O-CG 3.23Å; H925-E929 PolarHBondContact O-N 2.98Å; H925-R1056 PolarHBondContact CD2-NH1 3.31Å; H925-R1056 VanDerWaalsContact CD2-NH1 3.32Å; H925-R1056 PolarHBondContact CE1-NH1 2.93Å; H925-R1056 PolarHBondContact CE1-NH2 2.87Å; H925-R1056 VanDerWaalsContact CG-NH1 3.31Å; H925-R1056 PolarHBondContact ND1-NH1 2.59Å; H925-R1056 VanDerWaalsContact ND1-NH1 3.18Å; H925-R1056 PolarHBondContact ND1-NH2 2.88Å; H925-R1056 VanDerWaalsContact ND1-NH2 3.15Å; H925-R1056 PolarHBondContact NE2-NH1 3.15Å; H925-R1056 VanDerWaalsContact NE2-NH1 3.2Å; H925-R1056 PolarHBondContact NE2-NH2 2.84Å; H925-L1137 PolarHBondContact NE2-O 3.37Å |
| 926 | L | 91.8 | Very high | 87.1 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.7 | -42 | 171.8 | -84.4 | 57.5 | 0 | 0 | 0 | 110.9 | L912 L923 Q924 D928 L930 I986 L1137 F1146 | L912-L926 HydrophobicContact CD1-CB 4.36Å; L912-L926 HydrophobicContact CD2-CD2 4.18Å; L923-L926 HydrophobicContact CD2-CD1 4.43Å; L923-L926 HydrophobicContact CD2-CD2 4.26Å; L923-L926 WeakPolarHBondContact O-CB 3.22Å; L923-L926 PolarHBondContact O-N 3.03Å; Q924-L926 PolarHBondContact O-N 3.32Å; Q924-L926 VanDerWaalsContact O-N 3.17Å; L926-D928 VanDerWaalsContact C-N 3.28Å; L926-L930 WeakPolarHBondContact O-CB 3.34Å; L926-L930 WeakPolarHBondContact O-CG 3.33Å; L926-L930 PolarHBondContact O-N 3.13Å; L926-I986 HydrophobicContact CD2-CG2 4.31Å; L926-L1137 HydrophobicContact CD1-CB 4.04Å; L926-L1137 HydrophobicContact CD1-CD1 4.47Å; L926-L1137 HydrophobicContact CD2-CD1 3.72Å; L926-L1137 HydrophobicContact CG-CD1 4.29Å; L926-F1146 HydrophobicContact CB-CE1 4.48Å; L926-F1146 HydrophobicContact CB-CZ 4.36Å; L926-F1146 HydrophobicContact CD1-CZ 4.12Å; L926-F1146 HydrophobicContact CG-CE1 4.46Å; L926-F1146 HydrophobicContact CG-CZ 3.96Å |
| 927 | V | 89.1 | Confident | 87.4 | Confident | 10 Ų | 10 | 30.4 Ų | 30.4 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | -179.1 | -169.5 | 0 | 0 | 0 | 0 | 109.8 | T777 L912 Q924 H925 F937 | T777-V927 HydrophobicContact CG2-CB 4.28Å; T777-V927 HydrophobicContact CG2-CG1 3.19Å; L912-V927 HydrophobicContact CD1-CG2 3.72Å; Q924-V927 WeakPolarHBondContact O-CB 3.33Å; Q924-V927 PolarHBondContact O-N 3.05Å; H925-V927 VanDerWaalsContact C-N 3.34Å; V927-F937 HydrophobicContact CB-CG 4.42Å; V927-F937 HydrophobicContact CG1-CB 4.02Å; V927-F937 HydrophobicContact CG1-CD1 4.17Å; V927-F937 HydrophobicContact CG1-CD2 3.6Å; V927-F937 HydrophobicContact CG1-CE2 4.01Å; V927-F937 HydrophobicContact CG1-CG 3.67Å; V927-F937 HydrophobicContact CG1-CZ 4.46Å; V927-F937 HydrophobicContact CG2-CB 4.07Å; V927-F937 HydrophobicContact CG2-CD1 4.03Å; V927-F937 HydrophobicContact CG2-CG 4.08Å |
| 928 | D | 87.6 | Confident | 87.6 | Confident | 32 Ų | 32 | 30.8 Ų | 30.8 | 17% | 0.171 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.4 | -45 | -178.7 | -53.3 | -15.6 | 0 | 0 | 0 | 111.3 | T777 N778 Q924 H925 L926 | T777-D928 WeakPolarHBondContact CB-OD1 3.45Å; N778-D928 PolarHBondContact ND2-O 2.97Å; Q924-D928 PolarHBondContact NE2-OD1 3.24Å; Q924-D928 VanDerWaalsContact O-CG 3.29Å; Q924-D928 PolarHBondContact O-N 3.38Å; H925-D928 PolarHBondContact O-N 3.32Å; L926-D928 VanDerWaalsContact C-N 3.28Å |
| 929 | E | 88.7 | Confident | 87.7 | Confident | 71 Ų | 71 | 32.8 Ų | 32.8 | 33% | 0.332 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -80.8 | -27.1 | -176.3 | -69.6 | -179.5 | -139.7 | 0 | 0 | 113.4 | H925 A931 R1142 F1146 Q1150 | H925-E929 IonicContact CD2-OE1 3.24Å; H925-E929 PolarHBondContact CD2-OE1 3.49Å; H925-E929 WeakPolarHBondContact O-CB 3.48Å; H925-E929 VanDerWaalsContact O-CG 3.27Å; H925-E929 WeakPolarHBondContact O-CG 3.23Å; H925-E929 PolarHBondContact O-N 2.98Å; E929-A931 PolarHBondContact O-N 3.41Å; E929-R1142 IonicContact OE1-NE 2.76Å; E929-R1142 PolarHBondContact OE1-NE 2.85Å; E929-R1142 IonicContact OE2-NE 3.3Å; E929-F1146 HydrophobicContact CB-CD1 3.64Å; E929-F1146 HydrophobicContact CB-CE1 3.3Å; E929-F1146 HydrophobicContact CB-CG 4.41Å; E929-F1146 HydrophobicContact CB-CZ 3.82Å; E929-F1146 HydrophobicContact CG-CE1 4.46Å; E929-Q1150 PolarHBondContact O-NE2 3.3Å |
| 930 | L | 87 | Confident | 87.6 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.3 | -25.5 | 173.6 | -79.9 | 170.4 | 0 | 0 | 0 | 112.3 | L926 M932 F937 I986 F1146 M1149 Q1150 | L926-L930 WeakPolarHBondContact O-CB 3.34Å; L926-L930 WeakPolarHBondContact O-CG 3.33Å; L926-L930 PolarHBondContact O-N 3.13Å; L930-M932 WeakPolarHBondContact O-CG 3.48Å; L930-M932 PolarHBondContact O-N 2.71Å; L930-F937 HydrophobicContact CB-CZ 4.37Å; L930-F937 HydrophobicContact CD1-CE1 3.78Å; L930-F937 HydrophobicContact CD1-CZ 4.17Å; L930-I986 HydrophobicContact CD1-CD1 3.65Å; L930-F1146 HydrophobicContact CD2-CD1 4.01Å; L930-F1146 HydrophobicContact CD2-CE1 4.34Å; L930-F1146 HydrophobicContact CG-CD1 4.06Å; L930-F1146 HydrophobicContact CG-CE1 3.94Å; L930-M1149 HydrophobicContact CD2-CB 4.29Å; L930-M1149 HydrophobicContact CD2-CE 4.28Å; L930-Q1150 HydrophobicContact CD2-CG 3.96Å; L930-Q1150 PolarHBondContact O-NE2 2.85Å |
| 931 | A | 80.9 | Confident | 87.6 | Confident | 45 Ų | 45 | 32.7 Ų | 32.7 | 37% | 0.372 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 45.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P845 E929 P933 | P845-A931 HydrophobicContact CB-CB 4.19Å; E929-A931 PolarHBondContact O-N 3.41Å; A931-P933 VanDerWaalsContact O-CD 3.23Å; A931-P933 WeakPolarHBondContact O-CD 3.34Å |
| 932 | M | 80.8 | Confident | 87.6 | Confident | 20 Ų | 20 | 30.9 Ų | 30.9 | 10% | 0.099 | 17% | 0.172 | C | C | . | . | trans | -112.1 | 78.7 | 178.9 | -61.5 | -177.2 | 68.4 | 0 | 0 | 111.2 | K908 I910 L930 D934 T935 F937 I1153 Y1157 | K908-M932 HydrophobicContact CD-CE 4.13Å; I910-M932 HydrophobicContact CD1-CE 4.37Å; I910-M932 HydrophobicContact CD1-SD 3.83Å; L930-M932 WeakPolarHBondContact O-CG 3.48Å; L930-M932 PolarHBondContact O-N 2.71Å; M932-D934 PolarHBondContact O-N 2.88Å; M932-T935 WeakPolarHBondContact O-CB 3.41Å; M932-T935 PolarHBondContact O-N 3.34Å; M932-F937 HydrophobicContact CB-CE2 4.35Å; M932-F937 HydrophobicContact CB-CZ 4.27Å; M932-I1153 HydrophobicContact CE-CG2 3.8Å; M932-I1153 HydrophobicContact SD-CG2 3.97Å; M932-Y1157 HydrophobicContact CE-CD2 4.46Å | ||
| 933 | P | 69.1 | Low | 87.6 | Confident | 53 Ų | 53 | 33.6 Ų | 33.6 | 34% | 0.344 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -19.4 | -170.1 | 27.6 | -35.8 | 0 | 0 | 0 | 114.5 | A931 T935 | A931-P933 VanDerWaalsContact O-CD 3.23Å; A931-P933 WeakPolarHBondContact O-CD 3.34Å; P933-T935 VanDerWaalsContact C-N 3.27Å; P933-T935 PolarHBondContact O-N 2.82Å |
| 934 | D | 71.2 | Confident | 87.6 | Confident | 60 Ų | 60 | 33.4 Ų | 33.4 | 32% | 0.321 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 10.8 | 177.5 | 65.5 | -20.7 | 0 | 0 | 0 | 113.3 | K908 M932 | K908-D934 WeakPolarHBondContact CE-OD2 3.29Å; K908-D934 IonicContact NZ-OD1 3.41Å; K908-D934 IonicContact NZ-OD2 3.25Å; K908-D934 PolarHBondContact NZ-OD2 3.28Å; M932-D934 PolarHBondContact O-N 2.88Å |
| 935 | T | 82.1 | Confident | 87.8 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.025 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.1 | -174.2 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | K908 I910 M932 P933 F937 | K908-T935 HydrophobicContact CB-CG2 3.86Å; K908-T935 WeakPolarHBondContact CB-OG1 3.2Å; K908-T935 CarbonylContact O-C 3.56Å; K908-T935 WeakPolarHBondContact O-CA 3.35Å; I910-T935 HydrophobicContact CB-CG2 4.05Å; I910-T935 HydrophobicContact CD1-CG2 3.7Å; I910-T935 HydrophobicContact CG1-CG2 3.59Å; M932-T935 WeakPolarHBondContact O-CB 3.41Å; M932-T935 PolarHBondContact O-N 3.34Å; P933-T935 VanDerWaalsContact C-N 3.27Å; P933-T935 PolarHBondContact O-N 2.82Å; T935-F937 HydrophobicContact CG2-CD2 4.28Å; T935-F937 HydrophobicContact CG2-CE2 3.89Å; T935-F937 HydrophobicContact CG2-CZ 4.16Å; T935-F937 VanDerWaalsContact O-CD2 3.27Å; T935-F937 WeakPolarHBondContact O-CD2 3.33Å |
| 936 | A | 87.3 | Confident | 87.8 | Confident | 32 Ų | 32 | 29.4 Ų | 29.4 | 26% | 0.264 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 127 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | K908 V909 I910 Y938 | K908-A936 PolarHBondContact O-N 3.43Å; V909-A936 CarbonylContact C-O 3.42Å; V909-A936 WeakPolarHBondContact CA-O 3.42Å; V909-A936 HydrophobicContact CG2-CB 4.39Å; I910-A936 PolarHBondContact N-O 2.98Å; A936-Y938 HydrophobicContact CB-CE2 3.99Å |
| 937 | F | 92.6 | Very high | 87.9 | Confident | 45 Ų | 45 | 38 Ų | 38 | 20% | 0.197 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 128.1 | 179.3 | -73.7 | -96.2 | 0 | 0 | 0 | 111.2 | I910 L912 V927 L930 M932 T935 | I910-F937 HydrophobicContact CB-CD1 3.74Å; I910-F937 HydrophobicContact CB-CE1 3.7Å; I910-F937 HydrophobicContact CB-CG 4.47Å; I910-F937 HydrophobicContact CB-CZ 4.39Å; I910-F937 HydrophobicContact CD1-CE1 3.72Å; I910-F937 HydrophobicContact CD1-CZ 3.81Å; I910-F937 HydrophobicContact CG1-CE1 4.27Å; I910-F937 HydrophobicContact CG2-CD1 3.76Å; I910-F937 HydrophobicContact CG2-CE1 3.67Å; I910-F937 VanDerWaalsContact O-CA 3.31Å; I910-F937 WeakPolarHBondContact O-CA 3.31Å; L912-F937 HydrophobicContact CD1-CD1 4.15Å; L912-F937 HydrophobicContact CD2-CD1 4.39Å; L912-F937 HydrophobicContact CG-CD1 4.36Å; V927-F937 HydrophobicContact CB-CG 4.42Å; V927-F937 HydrophobicContact CG1-CB 4.02Å; V927-F937 HydrophobicContact CG1-CD1 4.17Å; V927-F937 HydrophobicContact CG1-CD2 3.6Å; V927-F937 HydrophobicContact CG1-CE2 4.01Å; V927-F937 HydrophobicContact CG1-CG 3.67Å; V927-F937 HydrophobicContact CG1-CZ 4.46Å; V927-F937 HydrophobicContact CG2-CB 4.07Å; V927-F937 HydrophobicContact CG2-CD1 4.03Å; V927-F937 HydrophobicContact CG2-CG 4.08Å; L930-F937 HydrophobicContact CB-CZ 4.37Å; L930-F937 HydrophobicContact CD1-CE1 3.78Å; L930-F937 HydrophobicContact CD1-CZ 4.17Å; M932-F937 HydrophobicContact CB-CE2 4.35Å; M932-F937 HydrophobicContact CB-CZ 4.27Å; T935-F937 HydrophobicContact CG2-CD2 4.28Å; T935-F937 HydrophobicContact CG2-CE2 3.89Å; T935-F937 HydrophobicContact CG2-CZ 4.16Å; T935-F937 VanDerWaalsContact O-CD2 3.27Å; T935-F937 WeakPolarHBondContact O-CD2 3.33Å |
| 938 | Y | 95.2 | Very high | 88 | Confident | 36 Ų | 36 | 39.4 Ų | 39.4 | 14% | 0.141 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.6 | 172.9 | -65.9 | -99.2 | 0 | 0 | 0 | 109.5 | V909 I910 V911 L912 A936 F971 A972 D975 S976 | V909-Y938 HydrophobicContact CG1-CD2 3.96Å; V909-Y938 HydrophobicContact CG1-CE2 4.01Å; I910-Y938 PolarHBondContact O-N 2.87Å; V911-Y938 CarbonylContact C-O 3.5Å; V911-Y938 WeakPolarHBondContact CA-O 3.45Å; L912-Y938 PolarHBondContact N-O 3.2Å; A936-Y938 HydrophobicContact CB-CE2 3.99Å; Y938-F971 HydrophobicContact CE1-CE1 4.47Å; Y938-A972 HydrophobicContact CD1-CB 3.84Å; Y938-A972 HydrophobicContact CD2-CB 3.69Å; Y938-A972 HydrophobicContact CE1-CB 4.18Å; Y938-A972 HydrophobicContact CE2-CB 4.05Å; Y938-A972 HydrophobicContact CG-CB 3.58Å; Y938-D975 HydrophobicContact CE1-CB 4.28Å; Y938-D975 PolarHBondContact OH-OD2 3.08Å; Y938-S976 WeakPolarHBondContact CE2-OG 3.35Å; Y938-S976 PolarHBondContact OH-OG 3.49Å |
| 939 | A | 93.9 | Very high | 88.1 | Confident | 43 Ų | 43 | 42.9 Ų | 42.9 | 36% | 0.355 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L912 F968 | L912-A939 HydrophobicContact CB-CB 4.13Å; A939-F968 WeakPolarHBondContact O-CZ 3.37Å |
| 940 | W | 90.7 | Very high | 87.9 | Confident | 24 Ų | 24 | 41.7 Ų | 41.7 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 129.3 | -171.3 | 177 | 67.1 | 0 | 0 | 0 | 112.4 | L912 F913 H914 A942 D964 F968 L994 | L912-W940 PolarHBondContact O-N 3.4Å; F913-W940 HydrophobicContact CD1-CB 4.28Å; F913-W940 HydrophobicContact CD1-CD2 4.15Å; F913-W940 AromaticContact CD1-CE3 3.41Å; F913-W940 HydrophobicContact CD1-CE3 3.41Å; F913-W940 VanDerWaalsContact CD1-CE3 3.41Å; F913-W940 AromaticContact CD1-CZ3 3.95Å; F913-W940 HydrophobicContact CD1-CZ3 3.95Å; F913-W940 HydrophobicContact CE1-CB 3.99Å; F913-W940 AromaticContact CE1-CD2 3.88Å; F913-W940 HydrophobicContact CE1-CD2 3.88Å; F913-W940 AromaticContact CE1-CE3 3.56Å; F913-W940 HydrophobicContact CE1-CE3 3.56Å; F913-W940 HydrophobicContact CE1-CG 4.12Å; F913-W940 HydrophobicContact CE1-CZ3 4.16Å; H914-W940 PolarHBondContact CD2-O 3.31Å; W940-A942 HydrophobicContact CD2-CB 4.49Å; W940-A942 HydrophobicContact CE3-CB 3.97Å; W940-A942 HydrophobicContact CH2-CB 3.48Å; W940-A942 VanDerWaalsContact CH2-CB 3.48Å; W940-A942 HydrophobicContact CZ2-CB 3.98Å; W940-A942 HydrophobicContact CZ3-CB 3.46Å; W940-A942 VanDerWaalsContact CZ3-CB 3.46Å; W940-D964 HydrophobicContact CH2-CB 4.47Å; W940-D964 HydrophobicContact CZ2-CB 3.62Å; W940-F968 HydrophobicContact CB-CD1 3.74Å; W940-F968 HydrophobicContact CB-CE1 3.59Å; W940-F968 HydrophobicContact CB-CG 4.28Å; W940-F968 HydrophobicContact CB-CZ 4.02Å; W940-F968 AromaticContact CD1-CD2 3.93Å; W940-F968 AromaticContact CD1-CG 3.82Å; W940-F968 HydrophobicContact CG-CD1 4.16Å; W940-F968 HydrophobicContact CG-CE1 4.42Å; W940-F968 HydrophobicContact CG-CG 4.27Å; W940-L994 HydrophobicContact CH2-CD1 4.23Å; W940-L994 HydrophobicContact CZ3-CD1 4.01Å |
| 941 | D | 94.2 | Very high | 88.1 | Confident | 19 Ų | 19 | 45.4 Ų | 45.4 | 10% | 0.102 | 27% | 0.269 | C | S | . | . | trans | -87.7 | 113.7 | 163.4 | -83.7 | -0.1 | 0 | 0 | 0 | 109.7 | H919 S920 G946 K947 S948 | H919-D941 WeakPolarHBondContact CB-OD1 3.39Å; S920-D941 WeakPolarHBondContact CA-OD1 3.5Å; S920-D941 WeakPolarHBondContact CB-OD1 3.31Å; S920-D941 PolarHBondContact N-OD1 3.2Å; S920-D941 PolarHBondContact OG-OD1 3.38Å; D941-G946 WeakPolarHBondContact OD2-CA 3.36Å; D941-K947 PolarHBondContact OD2-N 2.86Å; D941-S948 VanDerWaalsContact CB-OG 3.29Å; D941-S948 WeakPolarHBondContact CB-OG 3.24Å; D941-S948 WeakPolarHBondContact O-CB 3.29Å; D941-S948 PolarHBondContact O-OG 2.86Å | ||
| 942 | A | 91.7 | Very high | 88.6 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | trans | -59.4 | 149.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | H914 W940 G944 H945 S948 | H914-A942 PolarHBondContact NE2-N 2.91Å; H914-A942 VanDerWaalsContact NE2-N 3.15Å; W940-A942 HydrophobicContact CD2-CB 4.49Å; W940-A942 HydrophobicContact CE3-CB 3.97Å; W940-A942 HydrophobicContact CH2-CB 3.48Å; W940-A942 VanDerWaalsContact CH2-CB 3.48Å; W940-A942 HydrophobicContact CZ2-CB 3.98Å; W940-A942 HydrophobicContact CZ3-CB 3.46Å; W940-A942 VanDerWaalsContact CZ3-CB 3.46Å; A942-G944 PolarHBondContact O-N 3.29Å; A942-H945 HydrophobicContact CB-CB 4.21Å; A942-H945 WeakPolarHBondContact O-CA 3.27Å; A942-H945 VanDerWaalsContact O-CB 3.29Å; A942-H945 WeakPolarHBondContact O-CB 3.46Å; A942-H945 PolarHBondContact O-N 2.92Å; A942-S948 WeakPolarHBondContact O-CB 3.38Å | ||
| 943 | R | 92.4 | Very high | 89 | Confident | 75 Ų | 75 | 47 Ų | 47 | 28% | 0.283 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 137.3 | 172.7 | 63.9 | 174.1 | 64.5 | -128.7 | -6.9 | 111.1 | H945 S955 D964 | R943-H945 PolarHBondContact O-N 2.93Å; R943-H945 PolarHBondContact O-ND1 3.2Å; R943-S955 WeakPolarHBondContact CD-OG 3.41Å; R943-D964 IonicContact CZ-OD1 2.74Å; R943-D964 IonicContact CZ-OD2 3.75Å; R943-D964 IonicContact NE-OD1 3.68Å; R943-D964 IonicContact NE-OD2 2.57Å; R943-D964 PolarHBondContact NE-OD2 3.05Å; R943-D964 IonicContact NH2-OD1 2.7Å; R943-D964 PolarHBondContact NH2-OD1 3.07Å; R943-D964 IonicContact NH2-OD2 3.94Å; R943-D964 PolarHBondContact NH2-OD2 3.37Å |
| 944 | G | 92 | Very high | 90.1 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 12.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | A942 S949 P951 R952 G953 | A942-G944 PolarHBondContact O-N 3.29Å; G944-S949 PolarHBondContact N-O 2.69Å; G944-P951 WeakPolarHBondContact CA-O 3.23Å; G944-R952 WeakPolarHBondContact O-CA 3.28Å; G944-G953 PolarHBondContact O-N 3.31Å |
| 945 | H | 93.5 | Very high | 91.1 | Very high | 29 Ų | 29 | 45 Ų | 45 | 13% | 0.134 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -128.8 | 158.1 | 176.7 | -63.4 | 72.3 | 0 | 0 | 0 | 110.7 | E918 A942 R943 K947 S948 R952 | E918-H945 WeakPolarHBondContact O-CB 3.33Å; A942-H945 HydrophobicContact CB-CB 4.21Å; A942-H945 WeakPolarHBondContact O-CA 3.27Å; A942-H945 VanDerWaalsContact O-CB 3.29Å; A942-H945 WeakPolarHBondContact O-CB 3.46Å; A942-H945 PolarHBondContact O-N 2.92Å; R943-H945 PolarHBondContact O-N 2.93Å; R943-H945 PolarHBondContact O-ND1 3.2Å; H945-K947 PolarHBondContact O-N 2.87Å; H945-S948 WeakPolarHBondContact O-CB 3.4Å; H945-S948 PolarHBondContact O-N 3.22Å; H945-S948 VanDerWaalsContact O-N 3.12Å; H945-R952 VanDerWaalsContact C-NH1 3.27Å; H945-R952 PolarHBondContact O-NH1 3.47Å |
| 946 | G | 92.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | -130.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D941 R952 | D941-G946 WeakPolarHBondContact OD2-CA 3.36Å; G946-R952 PolarHBondContact O-NH1 2.89Å |
| 947 | K | 92.5 | Very high | 91.5 | Very high | 183 Ų | 183 | 46.8 Ų | 46.8 | 80% | 0.796 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -10 | 176.8 | -63.5 | -178.3 | 179.1 | 178 | 0 | 113.5 | D941 H945 | D941-K947 PolarHBondContact OD2-N 2.86Å; H945-K947 PolarHBondContact O-N 2.87Å |
| 948 | S | 92.7 | Very high | 91.5 | Very high | 40 Ų | 40 | 44.9 Ų | 44.9 | 28% | 0.28 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -64.2 | 146.4 | 173.6 | -77.4 | 0 | 0 | 0 | 0 | 111 | D941 A942 H945 R952 | D941-S948 VanDerWaalsContact CB-OG 3.29Å; D941-S948 WeakPolarHBondContact CB-OG 3.24Å; D941-S948 WeakPolarHBondContact O-CB 3.29Å; D941-S948 PolarHBondContact O-OG 2.86Å; A942-S948 WeakPolarHBondContact O-CB 3.38Å; H945-S948 WeakPolarHBondContact O-CB 3.4Å; H945-S948 PolarHBondContact O-N 3.22Å; H945-S948 VanDerWaalsContact O-N 3.12Å; S948-R952 PolarHBondContact O-NH1 3.5Å; S948-R952 PolarHBondContact O-NH2 3.01Å |
| 949 | S | 88.2 | Confident | 91.2 | Very high | 106 Ų | 106 | 44.1 Ų | 44.1 | 74% | 0.741 | 25% | 0.25 | S | S | * | . | trans | -74.6 | 174.7 | -175.5 | 65.4 | 0 | 0 | 0 | 0 | 113.6 | G944 | G944-S949 PolarHBondContact N-O 2.69Š| ||
| 950 | G | 86.2 | Confident | 91.1 | Very high | 45 Ų | 45 | 45 Ų | 45 | 46% | 0.464 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 99 | 167.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R952 | G950-R952 PolarHBondContact O-N 3.42Å; G950-R952 PolarHBondContact O-NE 3.24Å; G950-R952 PolarHBondContact O-NH2 2.69Å |
| 951 | P | 90.1 | Very high | 91.3 | Very high | 80 Ų | 80 | 44.3 Ų | 44.3 | 52% | 0.519 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -58.6 | 135.9 | 178.3 | -20.8 | 31.3 | 0 | 0 | 0 | 111.7 | G944 G953 Y954 | G944-P951 WeakPolarHBondContact CA-O 3.23Å; P951-G953 PolarHBondContact O-N 3.16Å; P951-Y954 HydrophobicContact CB-CD1 4.39Å; P951-Y954 HydrophobicContact CG-CD1 4.13Å; P951-Y954 PolarHBondContact O-N 2.84Å |
| 952 | R | 92.3 | Very high | 91.3 | Very high | 94 Ų | 94 | 43.4 Ų | 43.4 | 36% | 0.355 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 123.4 | -175.3 | -70.1 | -54 | 91.9 | 175.2 | 2.5 | 111.3 | G944 H945 G946 S948 G950 Y954 F1040 T1067 | G944-R952 WeakPolarHBondContact O-CA 3.28Å; H945-R952 VanDerWaalsContact C-NH1 3.27Å; H945-R952 PolarHBondContact O-NH1 3.47Å; G946-R952 PolarHBondContact O-NH1 2.89Å; S948-R952 PolarHBondContact O-NH1 3.5Å; S948-R952 PolarHBondContact O-NH2 3.01Å; G950-R952 PolarHBondContact O-N 3.42Å; G950-R952 PolarHBondContact O-NE 3.24Å; G950-R952 PolarHBondContact O-NH2 2.69Å; R952-Y954 VanDerWaalsContact C-N 3.3Å; R952-Y954 PolarHBondContact O-N 3.4Å; R952-F1040 WeakPolarHBondContact O-CE1 3.46Å; R952-T1067 HydrophobicContact CB-CG2 3.62Å; R952-T1067 HydrophobicContact CG-CG2 4.49Å |
| 953 | G | 88.4 | Confident | 91.3 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 13.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | G944 P951 A1069 A1071 | G944-G953 PolarHBondContact O-N 3.31Å; P951-G953 PolarHBondContact O-N 3.16Å; G953-A1069 WeakPolarHBondContact CA-O 3.38Å; G953-A1071 WeakPolarHBondContact O-CB 3.17Å; G953-A1071 PolarHBondContact O-N 2.77Å |
| 954 | Y | 93.2 | Very high | 91.4 | Very high | 67 Ų | 67 | 43 Ų | 43 | 26% | 0.263 | 24% | 0.236 | S | C | . | . | trans | -114.4 | 139.8 | 180 | 177.1 | -107.5 | 0 | 0 | 0 | 112.2 | P951 R952 L1038 A1071 | P951-Y954 HydrophobicContact CB-CD1 4.39Å; P951-Y954 HydrophobicContact CG-CD1 4.13Å; P951-Y954 PolarHBondContact O-N 2.84Å; R952-Y954 VanDerWaalsContact C-N 3.3Å; R952-Y954 PolarHBondContact O-N 3.4Å; Y954-L1038 HydrophobicContact CD2-CD1 4.27Å; Y954-L1038 HydrophobicContact CD2-CD2 3.84Å; Y954-L1038 HydrophobicContact CE2-CD1 4.02Å; Y954-L1038 HydrophobicContact CE2-CD2 3.47Å; Y954-L1038 VanDerWaalsContact CE2-CD2 3.47Å; Y954-L1038 HydrophobicContact CE2-CG 4.41Å; Y954-A1071 HydrophobicContact CD2-CB 3.8Å | ||
| 955 | S | 90.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.028 | 24% | 0.236 | C | C | . | . | trans | -137.7 | 150.6 | 163.2 | 167.6 | 0 | 0 | 0 | 0 | 107.4 | R943 S957 S961 N1073 I1074 | R943-S955 WeakPolarHBondContact CD-OG 3.41Å; S955-S957 VanDerWaalsContact C-N 3.26Å; S955-S957 PolarHBondContact O-N 3.3Å; S955-S957 PolarHBondContact OG-O 2.99Å; S955-S961 WeakPolarHBondContact CB-OG 3.38Å; S955-S961 PolarHBondContact OG-OG 2.95Å; S955-N1073 PolarHBondContact O-ND2 3.21Å; S955-N1073 VanDerWaalsContact O-ND2 3.08Å; S955-I1074 WeakPolarHBondContact O-CD1 3.48Å | ||
| 956 | P | 89.1 | Confident | 91.6 | Very high | 66 Ų | 66 | 42.1 Ų | 42.1 | 43% | 0.429 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -54.1 | -44 | 176.1 | -27.3 | 35.8 | 0 | 0 | 0 | 112.6 | N1073 | P956-N1073 PolarHBondContact O-ND2 3.33Š|
| 957 | S | 90.1 | Very high | 91.6 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | trans | -157.9 | 160.7 | 173.8 | 61 | 0 | 0 | 0 | 0 | 110.3 | S955 A959 R960 S961 E1445 | S955-S957 VanDerWaalsContact C-N 3.26Å; S955-S957 PolarHBondContact O-N 3.3Å; S955-S957 PolarHBondContact OG-O 2.99Å; S957-A959 PolarHBondContact O-N 2.99Å; S957-R960 PolarHBondContact O-N 3.49Å; S957-R960 PolarHBondContact OG-N 2.86Å; S957-S961 PolarHBondContact O-N 2.78Å; S957-E1445 WeakPolarHBondContact CB-OE1 3.39Å; S957-E1445 PolarHBondContact OG-OE1 3.37Å | ||
| 958 | L | 90.9 | Very high | 91.8 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.9 | -35.5 | 175.9 | -163.5 | 80.2 | 0 | 0 | 0 | 111.4 | R960 S961 V962 L994 I1074 D1077 L1078 T1081 | L958-R960 VanDerWaalsContact C-N 3.31Å; L958-R960 PolarHBondContact O-N 3Å; L958-S961 WeakPolarHBondContact O-CB 3.32Å; L958-S961 PolarHBondContact O-N 2.97Å; L958-S961 VanDerWaalsContact O-N 3.07Å; L958-V962 WeakPolarHBondContact O-CG2 3.48Å; L958-V962 PolarHBondContact O-N 2.96Å; L958-L994 HydrophobicContact CD1-CD2 3.61Å; L958-L994 HydrophobicContact CG-CD2 3.86Å; L958-I1074 HydrophobicContact CD1-CG2 4.45Å; L958-D1077 HydrophobicContact CB-CB 4Å; L958-L1078 HydrophobicContact CD1-CD1 4.41Å; L958-T1081 VanDerWaalsContact CD2-CB 3.49Å; L958-T1081 HydrophobicContact CD2-CG2 3.76Å; L958-T1081 WeakPolarHBondContact CD2-OG1 3.3Å |
| 959 | A | 90.3 | Very high | 91.9 | Very high | 19 Ų | 19 | 37 Ų | 37 | 16% | 0.157 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -34.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S957 V962 R963 E1445 | S957-A959 PolarHBondContact O-N 2.99Å; A959-V962 PolarHBondContact O-N 3.13Å; A959-R963 PolarHBondContact O-N 2.98Å; A959-E1445 HydrophobicContact CB-CB 4.47Å |
| 960 | R | 92.1 | Very high | 92 | Very high | 62 Ų | 62 | 35.8 Ų | 35.8 | 23% | 0.234 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.1 | -39 | 172.3 | 178.5 | 61.4 | -144.7 | -175.9 | 4 | 111.8 | S957 L958 V962 R963 D964 E967 | S957-R960 PolarHBondContact O-N 3.49Å; S957-R960 PolarHBondContact OG-N 2.86Å; L958-R960 VanDerWaalsContact C-N 3.31Å; L958-R960 PolarHBondContact O-N 3Å; R960-V962 VanDerWaalsContact C-N 3.34Å; R960-R963 VanDerWaalsContact NH1-NE 3.2Å; R960-R963 WeakPolarHBondContact O-CB 3.46Å; R960-R963 PolarHBondContact O-N 3.41Å; R960-D964 IonicContact CZ-OD1 3.37Å; R960-D964 IonicContact NE-OD1 2.74Å; R960-D964 PolarHBondContact NE-OD1 3.25Å; R960-D964 IonicContact NH2-OD1 2.63Å; R960-D964 PolarHBondContact NH2-OD1 2.98Å; R960-D964 PolarHBondContact O-N 2.94Å; R960-E967 IonicContact CZ-OE2 3.76Å; R960-E967 IonicContact NH1-OE1 2.71Å; R960-E967 IonicContact NH2-OE1 2.88Å; R960-E967 IonicContact NH2-OE2 3.81Å; R960-E967 PolarHBondContact NH2-OE2 3.24Å |
| 961 | S | 93.4 | Very high | 92.4 | Very high | 10 Ų | 10 | 39 Ų | 39 | 7% | 0.07 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.2 | -37.6 | 174.9 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | S955 S957 L958 R963 D964 V965 | S955-S961 WeakPolarHBondContact CB-OG 3.38Å; S955-S961 PolarHBondContact OG-OG 2.95Å; S957-S961 PolarHBondContact O-N 2.78Å; L958-S961 WeakPolarHBondContact O-CB 3.32Å; L958-S961 PolarHBondContact O-N 2.97Å; L958-S961 VanDerWaalsContact O-N 3.07Å; S961-R963 VanDerWaalsContact C-N 3.31Å; S961-D964 WeakPolarHBondContact O-CB 3.48Å; S961-D964 PolarHBondContact O-N 3.16Å; S961-V965 PolarHBondContact O-N 2.88Å |
| 962 | V | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.4 | -38.2 | 173.2 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | L958 A959 R960 V965 D966 L994 T997 W998 Y1002 | L958-V962 WeakPolarHBondContact O-CG2 3.48Å; L958-V962 PolarHBondContact O-N 2.96Å; A959-V962 PolarHBondContact O-N 3.13Å; R960-V962 VanDerWaalsContact C-N 3.34Å; V962-V965 WeakPolarHBondContact O-CB 3.31Å; V962-V965 PolarHBondContact O-N 2.63Å; V962-D966 PolarHBondContact O-N 2.62Å; V962-L994 HydrophobicContact CG2-CD2 3.97Å; V962-T997 HydrophobicContact CG1-CG2 4.2Å; V962-T997 HydrophobicContact CG2-CG2 3.68Å; V962-W998 HydrophobicContact CG1-CB 3.84Å; V962-Y1002 HydrophobicContact CG1-CD2 4.48Å; V962-Y1002 HydrophobicContact CG1-CE2 4.11Å |
| 963 | R | 92.5 | Very high | 92.2 | Very high | 60 Ų | 60 | 31 Ų | 31 | 23% | 0.226 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.4 | -36 | 173.6 | -179.4 | 174.2 | 161 | -170.5 | -6.5 | 112.9 | A959 R960 S961 V965 D966 E967 R1442 | A959-R963 PolarHBondContact O-N 2.98Å; R960-R963 VanDerWaalsContact NH1-NE 3.2Å; R960-R963 WeakPolarHBondContact O-CB 3.46Å; R960-R963 PolarHBondContact O-N 3.41Å; S961-R963 VanDerWaalsContact C-N 3.31Å; R963-V965 PolarHBondContact O-N 3.44Å; R963-D966 PolarHBondContact O-N 2.84Å; R963-E967 IonicContact CZ-OE1 3.51Å; R963-E967 IonicContact NE-OE1 3.35Å; R963-E967 PolarHBondContact NE-OE1 2.84Å; R963-E967 IonicContact NH2-OE1 3.8Å; R963-E967 PolarHBondContact NH2-OE1 2.92Å; R963-E967 PolarHBondContact O-N 3.37Å; R963-E967 VanDerWaalsContact O-N 3.07Å; R963-R1442 VanDerWaalsContact NH2-NH1 3.15Å; R963-R1442 VanDerWaalsContact NH2-NH2 3.14Å |
| 964 | D | 93.5 | Very high | 92 | Very high | 15 Ų | 15 | 35.1 Ų | 35.1 | 8% | 0.08 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.4 | -32.1 | 174.2 | -61.9 | -21.8 | 0 | 0 | 0 | 112 | W940 R943 R960 S961 F968 | W940-D964 HydrophobicContact CH2-CB 4.47Å; W940-D964 HydrophobicContact CZ2-CB 3.62Å; R943-D964 IonicContact CZ-OD1 2.74Å; R943-D964 IonicContact CZ-OD2 3.75Å; R943-D964 IonicContact NE-OD1 3.68Å; R943-D964 IonicContact NE-OD2 2.57Å; R943-D964 PolarHBondContact NE-OD2 3.05Å; R943-D964 IonicContact NH2-OD1 2.7Å; R943-D964 PolarHBondContact NH2-OD1 3.07Å; R943-D964 IonicContact NH2-OD2 3.94Å; R943-D964 PolarHBondContact NH2-OD2 3.37Å; R960-D964 IonicContact CZ-OD1 3.37Å; R960-D964 IonicContact NE-OD1 2.74Å; R960-D964 PolarHBondContact NE-OD1 3.25Å; R960-D964 IonicContact NH2-OD1 2.63Å; R960-D964 PolarHBondContact NH2-OD1 2.98Å; R960-D964 PolarHBondContact O-N 2.94Å; S961-D964 WeakPolarHBondContact O-CB 3.48Å; S961-D964 PolarHBondContact O-N 3.16Å; D964-F968 VanDerWaalsContact O-CB 3.3Å; D964-F968 WeakPolarHBondContact O-CB 3.3Å; D964-F968 PolarHBondContact O-N 3.46Å |
| 965 | V | 95.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.3 | -47.5 | 173 | 175 | 0 | 0 | 0 | 0 | 110.6 | F913 S961 V962 R963 F968 V969 L994 V995 W998 | F913-V965 HydrophobicContact CD1-CG2 4.31Å; F913-V965 HydrophobicContact CE1-CB 4.22Å; F913-V965 HydrophobicContact CE1-CG1 4Å; F913-V965 HydrophobicContact CE1-CG2 3.71Å; F913-V965 HydrophobicContact CE2-CG1 4.32Å; F913-V965 HydrophobicContact CZ-CB 4.3Å; F913-V965 HydrophobicContact CZ-CG1 3.66Å; F913-V965 HydrophobicContact CZ-CG2 4.25Å; S961-V965 PolarHBondContact O-N 2.88Å; V962-V965 WeakPolarHBondContact O-CB 3.31Å; V962-V965 PolarHBondContact O-N 2.63Å; R963-V965 PolarHBondContact O-N 3.44Å; V965-F968 PolarHBondContact O-N 3.41Å; V965-V969 HydrophobicContact CG1-CG2 4.33Å; V965-V969 WeakPolarHBondContact O-CG2 3.49Å; V965-V969 PolarHBondContact O-N 3.45Å; V965-L994 HydrophobicContact CG2-CB 4.29Å; V965-V995 HydrophobicContact CG1-CG2 4.33Å; V965-W998 HydrophobicContact CB-CB 4.4Å; V965-W998 HydrophobicContact CB-CG 4.33Å; V965-W998 HydrophobicContact CG1-CB 4.04Å; V965-W998 HydrophobicContact CG1-CD2 3.65Å; V965-W998 HydrophobicContact CG1-CE3 3.74Å; V965-W998 HydrophobicContact CG1-CG 3.81Å; V965-W998 HydrophobicContact CG1-CZ3 4.42Å |
| 966 | D | 94.3 | Very high | 91.3 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -47.9 | 177.9 | -167.9 | 71.7 | 0 | 0 | 0 | 111.8 | V962 R963 F968 V969 R970 W998 Y1002 | V962-D966 PolarHBondContact O-N 2.62Å; R963-D966 PolarHBondContact O-N 2.84Å; D966-F968 VanDerWaalsContact C-N 3.33Å; D966-F968 PolarHBondContact O-N 3.5Å; D966-V969 PolarHBondContact O-N 3.23Å; D966-R970 WeakPolarHBondContact O-CB 3.43Å; D966-R970 WeakPolarHBondContact O-CG 3.13Å; D966-R970 PolarHBondContact O-N 3.1Å; D966-R970 VanDerWaalsContact O-N 3.14Å; D966-R970 IonicContact OD1-NE 3.32Å; D966-R970 IonicContact OD2-NE 3.2Å; D966-R970 PolarHBondContact OD2-NE 3.39Å; D966-W998 VanDerWaalsContact CB-NE1 3.35Å; D966-W998 PolarHBondContact OD1-NE1 2.87Å; D966-Y1002 HydrophobicContact CB-CD1 4.31Å; D966-Y1002 HydrophobicContact CB-CE1 4.2Å |
| 967 | E | 93.2 | Very high | 90.8 | Very high | 79 Ų | 79 | 41.6 Ų | 41.6 | 37% | 0.369 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.4 | -41 | 178.8 | -70.7 | 172.9 | -176 | 0 | 0 | 111 | R960 R963 F971 | R960-E967 IonicContact CZ-OE2 3.76Å; R960-E967 IonicContact NH1-OE1 2.71Å; R960-E967 IonicContact NH2-OE1 2.88Å; R960-E967 IonicContact NH2-OE2 3.81Å; R960-E967 PolarHBondContact NH2-OE2 3.24Å; R963-E967 IonicContact CZ-OE1 3.51Å; R963-E967 IonicContact NE-OE1 3.35Å; R963-E967 PolarHBondContact NE-OE1 2.84Å; R963-E967 IonicContact NH2-OE1 3.8Å; R963-E967 PolarHBondContact NH2-OE1 2.92Å; R963-E967 PolarHBondContact O-N 3.37Å; R963-E967 VanDerWaalsContact O-N 3.07Å; E967-F971 PolarHBondContact O-N 2.81Å |
| 968 | F | 95.8 | Very high | 90.3 | Very high | 41 Ų | 41 | 42.7 Ų | 42.7 | 18% | 0.18 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73.6 | -41.5 | -179.9 | -174.5 | -108 | 0 | 0 | 0 | 114 | V911 F913 A939 W940 D964 V965 D966 F971 A972 | V911-F968 HydrophobicContact CG1-CD1 3.91Å; V911-F968 HydrophobicContact CG1-CE1 3.68Å; F913-F968 HydrophobicContact CZ-CD1 4.26Å; A939-F968 WeakPolarHBondContact O-CZ 3.37Å; W940-F968 HydrophobicContact CB-CD1 3.74Å; W940-F968 HydrophobicContact CB-CE1 3.59Å; W940-F968 HydrophobicContact CB-CG 4.28Å; W940-F968 HydrophobicContact CB-CZ 4.02Å; W940-F968 AromaticContact CD1-CD2 3.93Å; W940-F968 AromaticContact CD1-CG 3.82Å; W940-F968 HydrophobicContact CG-CD1 4.16Å; W940-F968 HydrophobicContact CG-CE1 4.42Å; W940-F968 HydrophobicContact CG-CG 4.27Å; D964-F968 VanDerWaalsContact O-CB 3.3Å; D964-F968 WeakPolarHBondContact O-CB 3.3Å; D964-F968 PolarHBondContact O-N 3.46Å; V965-F968 PolarHBondContact O-N 3.41Å; D966-F968 VanDerWaalsContact C-N 3.33Å; D966-F968 PolarHBondContact O-N 3.5Å; F968-F971 WeakPolarHBondContact O-CB 3.38Å; F968-F971 PolarHBondContact O-N 3.32Å; F968-A972 PolarHBondContact O-N 2.91Å |
| 969 | V | 95.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.6 | -38.7 | -179.7 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | V911 F913 V965 D966 F971 A972 A973 L980 V983 W998 | V911-V969 HydrophobicContact CG1-CG2 4.24Å; F913-V969 HydrophobicContact CE2-CG2 4.23Å; F913-V969 HydrophobicContact CZ-CG2 4.05Å; V965-V969 HydrophobicContact CG1-CG2 4.33Å; V965-V969 WeakPolarHBondContact O-CG2 3.49Å; V965-V969 PolarHBondContact O-N 3.45Å; D966-V969 PolarHBondContact O-N 3.23Å; V969-F971 VanDerWaalsContact C-N 3.33Å; V969-F971 PolarHBondContact O-N 2.89Å; V969-A972 PolarHBondContact O-N 3.29Å; V969-A973 PolarHBondContact O-N 3.13Å; V969-A973 VanDerWaalsContact O-N 3.11Å; V969-L980 HydrophobicContact CG1-CD2 3.89Å; V969-V983 HydrophobicContact CG1-CG1 4.12Å; V969-W998 HydrophobicContact CB-CH2 3.99Å; V969-W998 HydrophobicContact CB-CZ2 4.1Å; V969-W998 HydrophobicContact CG1-CH2 3.77Å; V969-W998 HydrophobicContact CG1-CZ2 4.19Å; V969-W998 HydrophobicContact CG2-CH2 3.93Å; V969-W998 HydrophobicContact CG2-CZ2 4.31Å; V969-W998 HydrophobicContact CG2-CZ3 4.3Å |
| 970 | R | 91.5 | Very high | 89.7 | Confident | 81 Ų | 81 | 44.4 Ų | 44.4 | 31% | 0.306 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.6 | -39.8 | 173.3 | -71.9 | 176.9 | -178.3 | -86.5 | -1.4 | 112 | D966 S974 L980 | D966-R970 WeakPolarHBondContact O-CB 3.43Å; D966-R970 WeakPolarHBondContact O-CG 3.13Å; D966-R970 PolarHBondContact O-N 3.1Å; D966-R970 VanDerWaalsContact O-N 3.14Å; D966-R970 IonicContact OD1-NE 3.32Å; D966-R970 IonicContact OD2-NE 3.2Å; D966-R970 PolarHBondContact OD2-NE 3.39Å; R970-S974 WeakPolarHBondContact O-CB 3.33Å; R970-S974 PolarHBondContact O-N 3.46Å; R970-S974 VanDerWaalsContact O-N 3.09Å; R970-L980 HydrophobicContact CG-CD1 4.42Å; R970-L980 HydrophobicContact CG-CD2 4.43Å |
| 971 | F | 93.2 | Very high | 89.6 | Confident | 113 Ų | 113 | 45.9 Ų | 45.9 | 50% | 0.496 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.7 | -48.6 | 172.4 | 169.3 | -95.4 | 0 | 0 | 0 | 111.9 | Y938 E967 F968 V969 A973 S974 D975 | Y938-F971 HydrophobicContact CE1-CE1 4.47Å; E967-F971 PolarHBondContact O-N 2.81Å; F968-F971 WeakPolarHBondContact O-CB 3.38Å; F968-F971 PolarHBondContact O-N 3.32Å; V969-F971 VanDerWaalsContact C-N 3.33Å; V969-F971 PolarHBondContact O-N 2.89Å; F971-A973 VanDerWaalsContact C-N 3.32Å; F971-A973 PolarHBondContact O-N 2.85Å; F971-S974 PolarHBondContact O-N 3.36Å; F971-D975 HydrophobicContact CZ-CB 4.34Å; F971-D975 WeakPolarHBondContact O-CB 3.35Å; F971-D975 PolarHBondContact O-N 3.16Å |
| 972 | A | 92.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.7 | -37.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V911 Y938 F968 V969 S976 | V911-A972 HydrophobicContact CG2-CB 4.01Å; Y938-A972 HydrophobicContact CD1-CB 3.84Å; Y938-A972 HydrophobicContact CD2-CB 3.69Å; Y938-A972 HydrophobicContact CE1-CB 4.18Å; Y938-A972 HydrophobicContact CE2-CB 4.05Å; Y938-A972 HydrophobicContact CG-CB 3.58Å; F968-A972 PolarHBondContact O-N 2.91Å; V969-A972 PolarHBondContact O-N 3.29Å; A972-S976 WeakPolarHBondContact O-CB 3.45Å; A972-S976 PolarHBondContact O-N 3.46Å; A972-S976 PolarHBondContact O-OG 2.87Å |
| 973 | A | 87.4 | Confident | 89.4 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.5 | -46.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V969 F971 S976 Q977 V978 L980 V983 | V969-A973 PolarHBondContact O-N 3.13Å; V969-A973 VanDerWaalsContact O-N 3.11Å; F971-A973 VanDerWaalsContact C-N 3.32Å; F971-A973 PolarHBondContact O-N 2.85Å; A973-S976 PolarHBondContact O-N 3.43Å; A973-Q977 PolarHBondContact O-N 3.12Å; A973-Q977 VanDerWaalsContact O-N 3.14Å; A973-V978 CarbonylContact C-O 3.52Å; A973-V978 PolarHBondContact O-N 3.22Å; A973-V978 VanDerWaalsContact O-O 3.12Å; A973-L980 HydrophobicContact CB-CD2 4.04Å; A973-V983 HydrophobicContact CB-CG2 4.07Å |
| 974 | S | 83 | Confident | 89.5 | Confident | 92 Ų | 92 | 45.3 Ų | 45.3 | 64% | 0.643 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -62.6 | -44.3 | 178.2 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | R970 F971 S976 Q977 | R970-S974 WeakPolarHBondContact O-CB 3.33Å; R970-S974 PolarHBondContact O-N 3.46Å; R970-S974 VanDerWaalsContact O-N 3.09Å; F971-S974 PolarHBondContact O-N 3.36Å; S974-S976 VanDerWaalsContact C-N 3.3Å; S974-S976 PolarHBondContact O-N 3.17Å; S974-Q977 PolarHBondContact O-N 2.96Å; S974-Q977 VanDerWaalsContact O-N 3.15Å |
| 975 | D | 86.7 | Confident | 89.7 | Confident | 100 Ų | 100 | 44.6 Ų | 44.6 | 54% | 0.535 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.4 | -35.8 | 179.4 | -167.6 | 57.5 | 0 | 0 | 0 | 111.5 | Y938 F971 Q977 | Y938-D975 HydrophobicContact CE1-CB 4.28Å; Y938-D975 PolarHBondContact OH-OD2 3.08Å; F971-D975 HydrophobicContact CZ-CB 4.34Å; F971-D975 WeakPolarHBondContact O-CB 3.35Å; F971-D975 PolarHBondContact O-N 3.16Å; D975-Q977 VanDerWaalsContact C-N 3.3Å; D975-Q977 PolarHBondContact O-N 3.11Å |
| 976 | S | 82.8 | Confident | 89.8 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 6% | 0.056 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -80.2 | -7.5 | 176.3 | -53.9 | 0 | 0 | 0 | 0 | 114.3 | K907 Y938 A972 A973 S974 | K907-S976 PolarHBondContact NZ-O 3.09Å; Y938-S976 WeakPolarHBondContact CE2-OG 3.35Å; Y938-S976 PolarHBondContact OH-OG 3.49Å; A972-S976 WeakPolarHBondContact O-CB 3.45Å; A972-S976 PolarHBondContact O-N 3.46Å; A972-S976 PolarHBondContact O-OG 2.87Å; A973-S976 PolarHBondContact O-N 3.43Å; S974-S976 VanDerWaalsContact C-N 3.3Å; S974-S976 PolarHBondContact O-N 3.17Å |
| 977 | Q | 77.8 | Confident | 89.9 | Confident | 164 Ų | 164 | 44.2 Ų | 44.2 | 77% | 0.766 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 43.9 | -172.6 | -56.8 | 175.1 | -16.7 | 0 | 0 | 113.1 | A973 S974 D975 | A973-Q977 PolarHBondContact O-N 3.12Å; A973-Q977 VanDerWaalsContact O-N 3.14Å; S974-Q977 PolarHBondContact O-N 2.96Å; S974-Q977 VanDerWaalsContact O-N 3.15Å; D975-Q977 VanDerWaalsContact C-N 3.3Å; D975-Q977 PolarHBondContact O-N 3.11Å |
| 978 | V | 79.7 | Confident | 90 | Very high | 31 Ų | 31 | 40.6 Ų | 40.6 | 19% | 0.188 | 21% | 0.21 | C | C | . | . | trans | -129.1 | 158.3 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | K907 V909 A973 E982 | K907-V978 HydrophobicContact CB-CG1 4.2Å; V909-V978 HydrophobicContact CB-CG2 4.45Å; V909-V978 HydrophobicContact CG2-CG2 3.57Å; A973-V978 CarbonylContact C-O 3.52Å; A973-V978 PolarHBondContact O-N 3.22Å; A973-V978 VanDerWaalsContact O-O 3.12Å; V978-E982 HydrophobicContact CB-CB 4.18Å; V978-E982 HydrophobicContact CG2-CB 4.2Å | ||
| 979 | G | 82.1 | Confident | 89.9 | Confident | 30 Ų | 30 | 38.9 Ų | 38.9 | 31% | 0.309 | 20% | 0.204 | S | C | . | . | trans | -70.5 | 162.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E981 E982 | G979-E981 WeakPolarHBondContact CA-OE2 3.36Å; G979-E981 PolarHBondContact O-N 3.02Å; G979-E982 PolarHBondContact O-N 3.41Å | ||
| 980 | L | 88 | Confident | 89.8 | Confident | 32 Ų | 32 | 40.5 Ų | 40.5 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -60.5 | -28.6 | 177.9 | -78.1 | 172.8 | 0 | 0 | 0 | 112.1 | V969 R970 A973 E982 V983 A1005 I1006 | V969-L980 HydrophobicContact CG1-CD2 3.89Å; R970-L980 HydrophobicContact CG-CD1 4.42Å; R970-L980 HydrophobicContact CG-CD2 4.43Å; A973-L980 HydrophobicContact CB-CD2 4.04Å; L980-E982 PolarHBondContact O-N 3.19Å; L980-E982 VanDerWaalsContact O-N 3.15Å; L980-V983 WeakPolarHBondContact O-CB 3.3Å; L980-V983 PolarHBondContact O-N 3.41Å; L980-A1005 CarbonylContact C-O 3.55Å; L980-I1006 WeakPolarHBondContact O-CA 3.23Å |
| 981 | E | 89.7 | Confident | 90 | Very high | 93 Ų | 93 | 36.8 Ų | 36.8 | 44% | 0.435 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -64.9 | -11.2 | 179.4 | 64.9 | -87.1 | -158.4 | 0 | 0 | 114.9 | G979 A1005 R1007 | G979-E981 WeakPolarHBondContact CA-OE2 3.36Å; G979-E981 PolarHBondContact O-N 3.02Å; E981-A1005 WeakPolarHBondContact CA-O 3.25Å; E981-A1005 PolarHBondContact N-O 2.94Å; E981-R1007 WeakPolarHBondContact O-CB 3.2Å; E981-R1007 WeakPolarHBondContact O-CD 3.43Å |
| 982 | E | 88.7 | Confident | 90.1 | Very high | 57 Ų | 57 | 31.4 Ų | 31.4 | 27% | 0.266 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -99.9 | -0.2 | 174.8 | -65.1 | -55.3 | 137.8 | 0 | 0 | 113.2 | V978 G979 L980 R1007 Y1157 | V978-E982 HydrophobicContact CB-CB 4.18Å; V978-E982 HydrophobicContact CG2-CB 4.2Å; G979-E982 PolarHBondContact O-N 3.41Å; L980-E982 PolarHBondContact O-N 3.19Å; L980-E982 VanDerWaalsContact O-N 3.15Å; E982-R1007 IonicContact OE1-NH1 3.62Å; E982-R1007 PolarHBondContact OE1-NH1 3.03Å; E982-R1007 IonicContact OE2-NH1 3.29Å; E982-Y1157 WeakPolarHBondContact O-CE1 3.26Å; E982-Y1157 PolarHBondContact O-OH 3Å |
| 983 | V | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 130.5 | -179.2 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | V909 V911 V969 A973 L980 V985 I1006 R1007 | V909-V983 HydrophobicContact CB-CG2 4.23Å; V909-V983 HydrophobicContact CG1-CG1 4.49Å; V909-V983 HydrophobicContact CG1-CG2 4.19Å; V909-V983 WeakPolarHBondContact O-CA 3.47Å; V911-V983 HydrophobicContact CG2-CG1 3.68Å; V969-V983 HydrophobicContact CG1-CG1 4.12Å; A973-V983 HydrophobicContact CB-CG2 4.07Å; L980-V983 WeakPolarHBondContact O-CB 3.3Å; L980-V983 PolarHBondContact O-N 3.41Å; V983-V985 HydrophobicContact CG1-CG2 4.26Å; V983-I1006 HydrophobicContact CB-CG2 4.35Å; V983-I1006 WeakPolarHBondContact O-CB 3.29Å; V983-R1007 VanDerWaalsContact O-CB 3.22Å; V983-R1007 WeakPolarHBondContact O-CB 3.12Å; V983-R1007 PolarHBondContact O-N 3.11Å |
| 984 | V | 95.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 138.5 | 165.9 | 170.4 | 0 | 0 | 0 | 0 | 109.6 | V909 I910 V911 R1007 G1008 I1153 L1156 Y1157 | V909-V984 PolarHBondContact O-N 3.39Å; I910-V984 CarbonylContact C-O 3.57Å; I910-V984 VanDerWaalsContact CA-O 3.28Å; I910-V984 WeakPolarHBondContact CA-O 3.49Å; I910-V984 HydrophobicContact CG1-CB 4.19Å; V911-V984 PolarHBondContact N-O 3.45Å; V984-R1007 HydrophobicContact CG2-CB 3.79Å; V984-R1007 HydrophobicContact CG2-CG 4.02Å; V984-G1008 WeakPolarHBondContact CA-O 3.43Å; V984-I1153 HydrophobicContact CG1-CD1 4.38Å; V984-I1153 HydrophobicContact CG1-CG1 4.2Å; V984-L1156 HydrophobicContact CG2-CD1 4.27Å; V984-Y1157 HydrophobicContact CG2-CE2 3.75Å |
| 985 | V | 97.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 130.4 | 179.3 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | V911 F913 V983 V995 W998 I1006 G1008 L1009 V1010 | V911-V985 HydrophobicContact CB-CG2 4.38Å; V911-V985 WeakPolarHBondContact O-CA 3.4Å; F913-V985 HydrophobicContact CD2-CG1 3.62Å; F913-V985 HydrophobicContact CE2-CG1 3.68Å; V983-V985 HydrophobicContact CG1-CG2 4.26Å; V985-V995 HydrophobicContact CB-CG1 4.47Å; V985-V995 HydrophobicContact CG1-CG1 3.75Å; V985-V995 HydrophobicContact CG1-CG2 3.98Å; V985-W998 HydrophobicContact CG2-CZ3 4.21Å; V985-I1006 HydrophobicContact CB-CD1 4.21Å; V985-I1006 HydrophobicContact CG2-CD1 3.71Å; V985-G1008 PolarHBondContact N-O 3.43Å; V985-L1009 HydrophobicContact CB-CD1 4.06Å; V985-L1009 HydrophobicContact CG1-CD1 4.25Å; V985-V1010 PolarHBondContact O-N 3.39Å |
| 986 | I | 97.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124.5 | 173.6 | -51.4 | 179.5 | 0 | 0 | 0 | 108.8 | I910 V911 L912 F913 L926 L930 V1010 L1137 M1149 I1153 | I910-I986 HydrophobicContact CG2-CD1 3.79Å; I910-I986 HydrophobicContact CG2-CG1 3.98Å; V911-I986 PolarHBondContact O-N 2.92Å; L912-I986 CarbonylContact C-O 3.21Å; L912-I986 WeakPolarHBondContact CA-O 3.24Å; L912-I986 HydrophobicContact CD2-CB 3.78Å; L912-I986 HydrophobicContact CD2-CD1 3.98Å; L912-I986 HydrophobicContact CD2-CG1 4.16Å; F913-I986 PolarHBondContact N-O 2.9Å; L926-I986 HydrophobicContact CD2-CG2 4.31Å; L930-I986 HydrophobicContact CD1-CD1 3.65Å; I986-V1010 WeakPolarHBondContact CA-O 3.15Å; I986-V1010 HydrophobicContact CB-CB 4.45Å; I986-V1010 HydrophobicContact CG1-CB 4.15Å; I986-V1010 HydrophobicContact CG1-CG2 4.4Å; I986-V1010 HydrophobicContact CG2-CB 4.27Å; I986-V1010 HydrophobicContact CG2-CG1 4.32Å; I986-L1137 HydrophobicContact CG2-CD1 4.07Å; I986-M1149 HydrophobicContact CG2-SD 4.37Å; I986-I1153 HydrophobicContact CD1-CD1 3.91Å |
| 987 | A | 97.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 145 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F913 A992 V995 V1010 L1011 A1012 | F913-A987 HydrophobicContact CB-CB 3.81Å; A987-A992 HydrophobicContact CB-CB 4.14Å; A987-V995 HydrophobicContact CB-CB 4.06Å; A987-V995 HydrophobicContact CB-CG2 3.78Å; A987-V1010 PolarHBondContact N-O 2.99Å; A987-L1011 HydrophobicContact CB-CD2 4.12Å; A987-L1011 WeakPolarHBondContact O-CA 3.48Å; A987-A1012 PolarHBondContact O-N 3.12Å |
| 988 | Q | 94.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.009 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142.4 | -178.4 | -166.5 | 176.8 | -14.8 | 0 | 0 | 112.7 | F913 R915 V990 G991 A992 A1012 H1134 D1135 L1137 | F913-Q988 PolarHBondContact O-N 3.35Å; R915-Q988 HydrophobicContact CG-CB 3.91Å; R915-Q988 HydrophobicContact CG-CG 3.69Å; Q988-V990 PolarHBondContact O-N 3.35Å; Q988-G991 PolarHBondContact O-N 3.38Å; Q988-A992 PolarHBondContact O-N 3.38Å; Q988-A1012 CarbonylContact C-O 3.49Å; Q988-A1012 VanDerWaalsContact CA-O 3.27Å; Q988-A1012 WeakPolarHBondContact CA-O 3.13Å; Q988-A1012 HydrophobicContact CB-CB 4.12Å; Q988-A1012 HydrophobicContact CG-CB 3.78Å; Q988-A1012 WeakPolarHBondContact CG-O 3.1Å; Q988-H1134 PolarHBondContact NE2-O 3.45Å; Q988-D1135 VanDerWaalsContact NE2-C 3.32Å; Q988-D1135 VanDerWaalsContact NE2-CA 3.31Å; Q988-D1135 PolarHBondContact NE2-OD1 3.01Å; Q988-L1137 HydrophobicContact CB-CD1 4.44Å |
| 989 | S | 94.5 | Very high | 94 | Very high | 6 Ų | 6 | 13.2 Ų | 13.2 | 4% | 0.042 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | -120.9 | 173.3 | -175.1 | 0 | 0 | 0 | 0 | 113.4 | G991 A992 V993 A1012 S1013 A1015 H1134 | S989-G991 VanDerWaalsContact C-N 3.32Å; S989-G991 PolarHBondContact O-N 2.91Å; S989-A992 WeakPolarHBondContact O-CB 3.43Å; S989-A992 PolarHBondContact O-N 2.91Å; S989-V993 PolarHBondContact O-N 3.05Å; S989-A1012 PolarHBondContact N-O 2.9Å; S989-S1013 WeakPolarHBondContact CA-O 3.3Å; S989-A1015 PolarHBondContact O-N 3.3Å; S989-A1015 VanDerWaalsContact O-N 3.12Å; S989-H1134 VanDerWaalsContact CB-NE2 3.31Å; S989-H1134 WeakPolarHBondContact CB-NE2 3.4Å; S989-H1134 PolarHBondContact OG-CE1 3.02Å; S989-H1134 PolarHBondContact OG-NE2 3.01Å |
| 990 | V | 93.7 | Very high | 94.6 | Very high | 33 Ų | 33 | 12 Ų | 12 | 20% | 0.2 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.1 | -38.4 | 177 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | Q988 A992 V993 L994 A1015 L1078 | Q988-V990 PolarHBondContact O-N 3.35Å; V990-A992 VanDerWaalsContact C-N 3.27Å; V990-A992 PolarHBondContact O-N 3.02Å; V990-V993 PolarHBondContact O-N 3.31Å; V990-V993 VanDerWaalsContact O-N 3.09Å; V990-L994 PolarHBondContact O-N 3.35Å; V990-A1015 HydrophobicContact CG2-CB 4.06Å; V990-L1078 HydrophobicContact CG1-CD1 4.22Å; V990-L1078 HydrophobicContact CG2-CD2 4.13Å |
| 991 | G | 94 | Very high | 94.9 | Very high | 4 Ų | 4 | 10.6 Ų | 10.6 | 4% | 0.041 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -58.8 | -39.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H914 Q988 S989 V993 L994 V995 | H914-G991 WeakPolarHBondContact O-CA 3.47Å; H914-G991 PolarHBondContact O-N 2.96Å; Q988-G991 PolarHBondContact O-N 3.38Å; S989-G991 VanDerWaalsContact C-N 3.32Å; S989-G991 PolarHBondContact O-N 2.91Å; G991-V993 VanDerWaalsContact C-N 3.33Å; G991-V993 PolarHBondContact O-N 3.45Å; G991-L994 PolarHBondContact O-N 3.33Å; G991-V995 WeakPolarHBondContact O-CG2 3.38Å; G991-V995 PolarHBondContact O-N 2.89Å |
| 992 | A | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -64.2 | -35 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A987 Q988 S989 V990 A996 L1011 P1014 | A987-A992 HydrophobicContact CB-CB 4.14Å; Q988-A992 PolarHBondContact O-N 3.38Å; S989-A992 WeakPolarHBondContact O-CB 3.43Å; S989-A992 PolarHBondContact O-N 2.91Å; V990-A992 VanDerWaalsContact C-N 3.27Å; V990-A992 PolarHBondContact O-N 3.02Å; A992-A996 VanDerWaalsContact O-CB 3.23Å; A992-A996 WeakPolarHBondContact O-CB 3.29Å; A992-A996 PolarHBondContact O-N 3.46Å; A992-L1011 HydrophobicContact CB-CB 4.37Å; A992-L1011 HydrophobicContact CB-CD2 3.87Å; A992-P1014 HydrophobicContact CB-CB 3.82Å; A992-P1014 HydrophobicContact CB-CG 3.84Å |
| 993 | V | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -68.8 | -42.3 | 174.1 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | S989 V990 G991 A996 T997 P1014 A1015 F1016 L1078 | S989-V993 PolarHBondContact O-N 3.05Å; V990-V993 PolarHBondContact O-N 3.31Å; V990-V993 VanDerWaalsContact O-N 3.09Å; G991-V993 VanDerWaalsContact C-N 3.33Å; G991-V993 PolarHBondContact O-N 3.45Å; V993-A996 PolarHBondContact O-N 3.45Å; V993-T997 VanDerWaalsContact O-CB 3.31Å; V993-T997 WeakPolarHBondContact O-CB 3.27Å; V993-T997 PolarHBondContact O-N 3.44Å; V993-T997 PolarHBondContact O-OG1 3.12Å; V993-P1014 HydrophobicContact CG2-CB 4.45Å; V993-A1015 HydrophobicContact CG2-CB 4.21Å; V993-F1016 HydrophobicContact CG2-CD1 4.01Å; V993-F1016 HydrophobicContact CG2-CE1 4.31Å; V993-L1078 HydrophobicContact CB-CD1 3.99Å; V993-L1078 HydrophobicContact CG1-CD1 3.73Å; V993-L1078 HydrophobicContact CG2-CD1 4.3Å |
| 994 | L | 95.8 | Very high | 95.1 | Very high | 9 Ų | 9 | 5.4 Ų | 5.4 | 5% | 0.047 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -60.7 | -47.3 | 176.5 | -68 | 176.6 | 0 | 0 | 0 | 111.4 | W940 L958 V962 V965 V990 G991 T997 W998 | W940-L994 HydrophobicContact CH2-CD1 4.23Å; W940-L994 HydrophobicContact CZ3-CD1 4.01Å; L958-L994 HydrophobicContact CD1-CD2 3.61Å; L958-L994 HydrophobicContact CG-CD2 3.86Å; V962-L994 HydrophobicContact CG2-CD2 3.97Å; V965-L994 HydrophobicContact CG2-CB 4.29Å; V990-L994 PolarHBondContact O-N 3.35Å; G991-L994 PolarHBondContact O-N 3.33Å; L994-T997 WeakPolarHBondContact O-CB 3.47Å; L994-T997 PolarHBondContact O-N 3.1Å; L994-W998 PolarHBondContact O-N 3.11Å |
| 995 | V | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -66 | -46.3 | 178.2 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | F913 V965 V985 A987 G991 T997 W998 I999 L1009 | F913-V995 HydrophobicContact CB-CG2 4.23Å; F913-V995 HydrophobicContact CD1-CG2 4.21Å; F913-V995 HydrophobicContact CD2-CG2 3.53Å; F913-V995 HydrophobicContact CE2-CG2 3.91Å; F913-V995 HydrophobicContact CG-CG2 3.71Å; F913-V995 HydrophobicContact CZ-CG2 4.44Å; V965-V995 HydrophobicContact CG1-CG2 4.33Å; V985-V995 HydrophobicContact CB-CG1 4.47Å; V985-V995 HydrophobicContact CG1-CG1 3.75Å; V985-V995 HydrophobicContact CG1-CG2 3.98Å; A987-V995 HydrophobicContact CB-CB 4.06Å; A987-V995 HydrophobicContact CB-CG2 3.78Å; G991-V995 WeakPolarHBondContact O-CG2 3.38Å; G991-V995 PolarHBondContact O-N 2.89Å; V995-T997 PolarHBondContact O-N 2.63Å; V995-W998 HydrophobicContact CG1-CE3 4.2Å; V995-W998 WeakPolarHBondContact O-CB 3.44Å; V995-W998 PolarHBondContact O-N 2.84Å; V995-W998 VanDerWaalsContact O-N 3.09Å; V995-I999 HydrophobicContact CG1-CG1 4.3Å; V995-I999 WeakPolarHBondContact O-CG1 3.43Å; V995-I999 PolarHBondContact O-N 2.87Å; V995-L1009 HydrophobicContact CG1-CD1 3.34Å |
| 996 | A | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.5 | -35.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A992 V993 H1000 L1011 F1016 I1085 F1115 | A992-A996 VanDerWaalsContact O-CB 3.23Å; A992-A996 WeakPolarHBondContact O-CB 3.29Å; A992-A996 PolarHBondContact O-N 3.46Å; V993-A996 PolarHBondContact O-N 3.45Å; A996-H1000 WeakPolarHBondContact O-CB 3.46Å; A996-H1000 PolarHBondContact O-N 3.22Å; A996-H1000 VanDerWaalsContact O-N 3.11Å; A996-L1011 HydrophobicContact CB-CD1 4.23Å; A996-F1016 HydrophobicContact CB-CZ 4.44Å; A996-I1085 HydrophobicContact CB-CG2 4.24Å; A996-F1115 HydrophobicContact CB-CE2 4.44Å; A996-F1115 HydrophobicContact CB-CZ 4.09Å |
| 997 | T | 96.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 9.3 Ų | 9.3 | 1% | 0.012 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -67.9 | -43.5 | 174.1 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | V962 V993 L994 V995 H1000 D1001 T1081 R1084 I1085 | V962-T997 HydrophobicContact CG1-CG2 4.2Å; V962-T997 HydrophobicContact CG2-CG2 3.68Å; V993-T997 VanDerWaalsContact O-CB 3.31Å; V993-T997 WeakPolarHBondContact O-CB 3.27Å; V993-T997 PolarHBondContact O-N 3.44Å; V993-T997 PolarHBondContact O-OG1 3.12Å; L994-T997 WeakPolarHBondContact O-CB 3.47Å; L994-T997 PolarHBondContact O-N 3.1Å; V995-T997 PolarHBondContact O-N 2.63Å; T997-H1000 PolarHBondContact O-N 2.9Å; T997-D1001 WeakPolarHBondContact CG2-OD2 3.47Å; T997-D1001 VanDerWaalsContact O-CB 3.23Å; T997-D1001 WeakPolarHBondContact O-CB 3.48Å; T997-D1001 PolarHBondContact O-N 3.44Å; T997-T1081 HydrophobicContact CG2-CG2 3.53Å; T997-T1081 VanDerWaalsContact OG1-CG2 3.3Å; T997-T1081 WeakPolarHBondContact OG1-CG2 3.24Å; T997-R1084 VanDerWaalsContact CG2-NH2 3.3Å; T997-I1085 HydrophobicContact CG2-CD1 4.18Å; T997-I1085 HydrophobicContact CG2-CG1 4.34Å |
| 998 | W | 95.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 9.2 Ų | 9.2 | 0% | 0.004 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61 | -45.3 | 175.6 | 169.5 | 62.4 | 0 | 0 | 0 | 111.9 | V962 V965 D966 V969 V985 L994 V995 H1000 D1001 Y1002 P1004 I1006 | V962-W998 HydrophobicContact CG1-CB 3.84Å; V965-W998 HydrophobicContact CB-CB 4.4Å; V965-W998 HydrophobicContact CB-CG 4.33Å; V965-W998 HydrophobicContact CG1-CB 4.04Å; V965-W998 HydrophobicContact CG1-CD2 3.65Å; V965-W998 HydrophobicContact CG1-CE3 3.74Å; V965-W998 HydrophobicContact CG1-CG 3.81Å; V965-W998 HydrophobicContact CG1-CZ3 4.42Å; D966-W998 VanDerWaalsContact CB-NE1 3.35Å; D966-W998 PolarHBondContact OD1-NE1 2.87Å; V969-W998 HydrophobicContact CB-CH2 3.99Å; V969-W998 HydrophobicContact CB-CZ2 4.1Å; V969-W998 HydrophobicContact CG1-CH2 3.77Å; V969-W998 HydrophobicContact CG1-CZ2 4.19Å; V969-W998 HydrophobicContact CG2-CH2 3.93Å; V969-W998 HydrophobicContact CG2-CZ2 4.31Å; V969-W998 HydrophobicContact CG2-CZ3 4.3Å; V985-W998 HydrophobicContact CG2-CZ3 4.21Å; L994-W998 PolarHBondContact O-N 3.11Å; V995-W998 HydrophobicContact CG1-CE3 4.2Å; V995-W998 WeakPolarHBondContact O-CB 3.44Å; V995-W998 PolarHBondContact O-N 2.84Å; V995-W998 VanDerWaalsContact O-N 3.09Å; W998-H1000 VanDerWaalsContact C-N 3.33Å; W998-H1000 PolarHBondContact O-N 3.08Å; W998-D1001 PolarHBondContact O-N 3.05Å; W998-Y1002 AromaticContact CD1-CD2 3.6Å; W998-Y1002 AromaticContact CD1-CG 3.75Å; W998-Y1002 WeakPolarHBondContact O-CB 3.46Å; W998-Y1002 PolarHBondContact O-N 3.49Å; W998-P1004 HydrophobicContact CD2-CG 4.03Å; W998-P1004 HydrophobicContact CE3-CG 4.14Å; W998-P1004 HydrophobicContact CH2-CB 3.88Å; W998-P1004 HydrophobicContact CH2-CG 3.49Å; W998-P1004 VanDerWaalsContact CH2-CG 3.49Å; W998-P1004 HydrophobicContact CZ2-CB 3.52Å; W998-P1004 HydrophobicContact CZ2-CG 3.38Å; W998-P1004 HydrophobicContact CZ3-CG 3.88Å; W998-I1006 HydrophobicContact CH2-CD1 4.43Å; W998-I1006 HydrophobicContact CH2-CG2 3.9Å; W998-I1006 HydrophobicContact CZ3-CD1 4.08Å |
| 999 | I | 95.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 9.1 Ų | 9.1 | 3% | 0.026 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 176.8 | -62.9 | -50.5 | 0 | 0 | 0 | 111.5 | V995 A1003 P1004 I1006 L1009 I1092 L1094 | V995-I999 HydrophobicContact CG1-CG1 4.3Å; V995-I999 WeakPolarHBondContact O-CG1 3.43Å; V995-I999 PolarHBondContact O-N 2.87Å; I999-A1003 VanDerWaalsContact O-CA 3.27Å; I999-A1003 WeakPolarHBondContact O-CA 3.49Å; I999-A1003 PolarHBondContact O-N 3.28Å; I999-P1004 HydrophobicContact CD1-CG 3.42Å; I999-P1004 VanDerWaalsContact CD1-CG 3.42Å; I999-I1006 HydrophobicContact CD1-CD1 3.79Å; I999-I1006 HydrophobicContact CD1-CG1 4.26Å; I999-L1009 HydrophobicContact CG1-CD2 4.24Å; I999-I1092 HydrophobicContact CG2-CB 4.4Å; I999-I1092 HydrophobicContact CG2-CG1 4.12Å; I999-I1092 HydrophobicContact CG2-CG2 3.71Å; I999-L1094 HydrophobicContact CD1-CD1 3.73Å; I999-L1094 HydrophobicContact CG1-CD1 4.31Å; I999-L1094 HydrophobicContact CG2-CD1 3.68Å; I999-L1094 HydrophobicContact CG2-CG 4.38Å |
| 1000 | H | 94.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 8.9 Ų | 8.9 | 2% | 0.019 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65 | -47.2 | 176.5 | 175 | -79.8 | 0 | 0 | 0 | 112.5 | A996 T997 W998 I1085 D1088 I1092 | A996-H1000 WeakPolarHBondContact O-CB 3.46Å; A996-H1000 PolarHBondContact O-N 3.22Å; A996-H1000 VanDerWaalsContact O-N 3.11Å; T997-H1000 PolarHBondContact O-N 2.9Å; W998-H1000 VanDerWaalsContact C-N 3.33Å; W998-H1000 PolarHBondContact O-N 3.08Å; H1000-I1085 HydrophobicContact CB-CD1 3.54Å; H1000-I1085 VanDerWaalsContact CG-CD1 3.42Å; H1000-D1088 IonicContact CE1-OD2 3.37Å; H1000-D1088 IonicContact NE2-OD2 2.9Å; H1000-D1088 PolarHBondContact NE2-OD2 3.23Å; H1000-I1092 HydrophobicContact CB-CD1 4.26Å; H1000-I1092 HydrophobicContact CB-CG1 4.18Å |
| 1001 | D | 94.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 7.3 Ų | 7.3 | 2% | 0.016 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -79.8 | -35.3 | -169.6 | -71.5 | 1.9 | 0 | 0 | 0 | 112.7 | T997 W998 R1084 Q1441 I1443 | T997-D1001 WeakPolarHBondContact CG2-OD2 3.47Å; T997-D1001 VanDerWaalsContact O-CB 3.23Å; T997-D1001 WeakPolarHBondContact O-CB 3.48Å; T997-D1001 PolarHBondContact O-N 3.44Å; W998-D1001 PolarHBondContact O-N 3.05Å; D1001-R1084 IonicContact OD1-CZ 3.66Å; D1001-R1084 IonicContact OD1-NH2 2.83Å; D1001-R1084 PolarHBondContact OD1-NH2 3.36Å; D1001-R1084 IonicContact OD2-CZ 3Å; D1001-R1084 IonicContact OD2-NH2 3.65Å; D1001-R1084 PolarHBondContact OD2-NH2 2.91Å; D1001-Q1441 PolarHBondContact O-NE2 3.01Å; D1001-I1443 HydrophobicContact CB-CD1 3.56Å; D1001-I1443 VanDerWaalsContact CG-CD1 3.49Å |
| 1002 | Y | 93.1 | Very high | 94.6 | Very high | 6 Ų | 6 | 7.1 Ų | 7.1 | 2% | 0.024 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -108.4 | -18.8 | -174.7 | -72.3 | -106.1 | 0 | 0 | 0 | 114.2 | V962 D966 W998 K1438 Q1441 I1443 | V962-Y1002 HydrophobicContact CG1-CD2 4.48Å; V962-Y1002 HydrophobicContact CG1-CE2 4.11Å; D966-Y1002 HydrophobicContact CB-CD1 4.31Å; D966-Y1002 HydrophobicContact CB-CE1 4.2Å; W998-Y1002 AromaticContact CD1-CD2 3.6Å; W998-Y1002 AromaticContact CD1-CG 3.75Å; W998-Y1002 WeakPolarHBondContact O-CB 3.46Å; W998-Y1002 PolarHBondContact O-N 3.49Å; Y1002-K1438 PolarHBondContact O-NZ 3.15Å; Y1002-Q1441 HydrophobicContact CD1-CB 4.02Å; Y1002-Q1441 HydrophobicContact CD1-CG 4.41Å; Y1002-Q1441 HydrophobicContact CE1-CB 3.98Å; Y1002-Q1441 HydrophobicContact CE1-CG 4.38Å; Y1002-I1443 HydrophobicContact CE2-CG2 4.07Å |
| 1003 | A | 92.6 | Very high | 94.5 | Very high | 26 Ų | 26 | 7.1 Ų | 7.1 | 22% | 0.215 | 5% | 0.048 | C | C | . | . | trans | 45.6 | 51.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I999 Q1424 | I999-A1003 VanDerWaalsContact O-CA 3.27Å; I999-A1003 WeakPolarHBondContact O-CA 3.49Å; I999-A1003 PolarHBondContact O-N 3.28Å; A1003-Q1424 HydrophobicContact CB-CB 3.97Å; A1003-Q1424 HydrophobicContact CB-CG 4.11Å | ||
| 1004 | P | 91.3 | Very high | 94.5 | Very high | 9 Ų | 9 | 7.1 Ų | 7.1 | 6% | 0.058 | 5% | 0.048 | C | C | . | . | trans | -67.3 | 144.2 | -178.2 | 34.5 | -38.3 | 0 | 0 | 0 | 111.1 | W998 I999 I1006 | W998-P1004 HydrophobicContact CD2-CG 4.03Å; W998-P1004 HydrophobicContact CE3-CG 4.14Å; W998-P1004 HydrophobicContact CH2-CB 3.88Å; W998-P1004 HydrophobicContact CH2-CG 3.49Å; W998-P1004 VanDerWaalsContact CH2-CG 3.49Å; W998-P1004 HydrophobicContact CZ2-CB 3.52Å; W998-P1004 HydrophobicContact CZ2-CG 3.38Å; W998-P1004 HydrophobicContact CZ3-CG 3.88Å; I999-P1004 HydrophobicContact CD1-CG 3.42Å; I999-P1004 VanDerWaalsContact CD1-CG 3.42Å; P1004-I1006 HydrophobicContact CB-CG2 4.35Å; P1004-I1006 PolarHBondContact O-N 2.87Å | ||
| 1005 | A | 87.3 | Confident | 94.4 | Very high | 59 Ų | 59 | 6.8 Ų | 6.8 | 49% | 0.488 | 5% | 0.046 | S | C | . | . | trans | -82.7 | 55.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L980 E981 | L980-A1005 CarbonylContact C-O 3.55Å; E981-A1005 WeakPolarHBondContact CA-O 3.25Å; E981-A1005 PolarHBondContact N-O 2.94Å | ||
| 1006 | I | 92.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 7 Ų | 7 | 2% | 0.015 | 5% | 0.047 | C | C | . | . | trans | -83 | 160.7 | 177.8 | 64.9 | 166 | 0 | 0 | 0 | 113.1 | L980 V983 V985 W998 I999 P1004 G1008 L1094 | L980-I1006 WeakPolarHBondContact O-CA 3.23Å; V983-I1006 HydrophobicContact CB-CG2 4.35Å; V983-I1006 WeakPolarHBondContact O-CB 3.29Å; V985-I1006 HydrophobicContact CB-CD1 4.21Å; V985-I1006 HydrophobicContact CG2-CD1 3.71Å; W998-I1006 HydrophobicContact CH2-CD1 4.43Å; W998-I1006 HydrophobicContact CH2-CG2 3.9Å; W998-I1006 HydrophobicContact CZ3-CD1 4.08Å; I999-I1006 HydrophobicContact CD1-CD1 3.79Å; I999-I1006 HydrophobicContact CD1-CG1 4.26Å; P1004-I1006 HydrophobicContact CB-CG2 4.35Å; P1004-I1006 PolarHBondContact O-N 2.87Å; I1006-G1008 PolarHBondContact O-N 2.91Å; I1006-L1094 HydrophobicContact CD1-CD1 4.21Å; I1006-L1094 HydrophobicContact CG1-CD1 3.59Å; I1006-L1094 WeakPolarHBondContact O-CD2 3.25Å | ||
| 1007 | R | 92.7 | Very high | 94.1 | Very high | 22 Ų | 22 | 11.3 Ų | 11.3 | 8% | 0.083 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -63.6 | -40.1 | -177.6 | -166.3 | 80.9 | 178.3 | -154.2 | -11.8 | 113.5 | E981 E982 V983 V984 L1156 Y1157 N1159 | E981-R1007 WeakPolarHBondContact O-CB 3.2Å; E981-R1007 WeakPolarHBondContact O-CD 3.43Å; E982-R1007 IonicContact OE1-NH1 3.62Å; E982-R1007 PolarHBondContact OE1-NH1 3.03Å; E982-R1007 IonicContact OE2-NH1 3.29Å; V983-R1007 VanDerWaalsContact O-CB 3.22Å; V983-R1007 WeakPolarHBondContact O-CB 3.12Å; V983-R1007 PolarHBondContact O-N 3.11Å; V984-R1007 HydrophobicContact CG2-CB 3.79Å; V984-R1007 HydrophobicContact CG2-CG 4.02Å; R1007-L1156 HydrophobicContact CG-CB 4.11Å; R1007-L1156 VanDerWaalsContact CZ-O 3.26Å; R1007-L1156 PolarHBondContact NE-O 3.41Å; R1007-L1156 PolarHBondContact NH2-O 2.99Å; R1007-Y1157 HydrophobicContact CG-CE1 4.47Å; R1007-Y1157 PolarHBondContact NH2-O 2.91Å; R1007-N1159 PolarHBondContact NH2-O 3.19Å |
| 1008 | G | 93.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.8 | 172.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V984 V985 I1006 P1095 | V984-G1008 WeakPolarHBondContact CA-O 3.43Å; V985-G1008 PolarHBondContact N-O 3.43Å; I1006-G1008 PolarHBondContact O-N 2.91Å; G1008-P1095 WeakPolarHBondContact CA-O 3.34Å |
| 1009 | L | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.2 | -167.6 | -178.3 | 65.5 | 0 | 0 | 0 | 112.1 | V985 V995 I999 L1011 P1095 T1096 Q1097 | V985-L1009 HydrophobicContact CB-CD1 4.06Å; V985-L1009 HydrophobicContact CG1-CD1 4.25Å; V995-L1009 HydrophobicContact CG1-CD1 3.34Å; I999-L1009 HydrophobicContact CG1-CD2 4.24Å; L1009-L1011 HydrophobicContact CD1-CD2 3.64Å; L1009-L1011 HydrophobicContact CD1-CG 4.26Å; L1009-L1011 HydrophobicContact CD2-CD1 3.84Å; L1009-L1011 HydrophobicContact CD2-CD2 3.84Å; L1009-L1011 HydrophobicContact CD2-CG 3.76Å; L1009-L1011 HydrophobicContact CG-CD1 4.42Å; L1009-L1011 HydrophobicContact CG-CD2 3.73Å; L1009-L1011 HydrophobicContact CG-CG 3.78Å; L1009-P1095 PolarHBondContact N-O 3.41Å; L1009-T1096 HydrophobicContact CB-CG2 4.47Å; L1009-T1096 HydrophobicContact CD2-CG2 4.12Å; L1009-T1096 HydrophobicContact CG-CG2 4.42Å; L1009-T1096 CarbonylContact O-C 3.11Å; L1009-T1096 WeakPolarHBondContact O-CA 3.31Å; L1009-Q1097 PolarHBondContact O-N 2.74Å |
| 1010 | V | 97.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 118.1 | 170.2 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | V985 I986 A987 Q1097 L1099 M1149 F1152 I1153 | V985-V1010 PolarHBondContact O-N 3.39Å; I986-V1010 WeakPolarHBondContact CA-O 3.15Å; I986-V1010 HydrophobicContact CB-CB 4.45Å; I986-V1010 HydrophobicContact CG1-CB 4.15Å; I986-V1010 HydrophobicContact CG1-CG2 4.4Å; I986-V1010 HydrophobicContact CG2-CB 4.27Å; I986-V1010 HydrophobicContact CG2-CG1 4.32Å; A987-V1010 PolarHBondContact N-O 2.99Å; V1010-Q1097 WeakPolarHBondContact CA-O 3.45Å; V1010-Q1097 HydrophobicContact CG2-CB 4.41Å; V1010-L1099 HydrophobicContact CG1-CD1 4.31Å; V1010-M1149 HydrophobicContact CG1-CG 3.8Å; V1010-M1149 HydrophobicContact CG1-SD 3.78Å; V1010-F1152 HydrophobicContact CG2-CD1 4.02Å; V1010-F1152 HydrophobicContact CG2-CE1 4.29Å; V1010-I1153 HydrophobicContact CG2-CD1 4.39Å; V1010-I1153 HydrophobicContact CG2-CG1 4.33Å |
| 1011 | L | 97.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122 | -178.6 | -61.9 | -174.2 | 0 | 0 | 0 | 110.8 | A987 A992 A996 L1009 P1014 T1096 Q1097 L1098 L1099 F1115 | A987-L1011 HydrophobicContact CB-CD2 4.12Å; A987-L1011 WeakPolarHBondContact O-CA 3.48Å; A992-L1011 HydrophobicContact CB-CB 4.37Å; A992-L1011 HydrophobicContact CB-CD2 3.87Å; A996-L1011 HydrophobicContact CB-CD1 4.23Å; L1009-L1011 HydrophobicContact CD1-CD2 3.64Å; L1009-L1011 HydrophobicContact CD1-CG 4.26Å; L1009-L1011 HydrophobicContact CD2-CD1 3.84Å; L1009-L1011 HydrophobicContact CD2-CD2 3.84Å; L1009-L1011 HydrophobicContact CD2-CG 3.76Å; L1009-L1011 HydrophobicContact CG-CD1 4.42Å; L1009-L1011 HydrophobicContact CG-CD2 3.73Å; L1009-L1011 HydrophobicContact CG-CG 3.78Å; L1011-P1014 HydrophobicContact CB-CG 3.91Å; L1011-P1014 HydrophobicContact CD1-CG 4.44Å; L1011-T1096 HydrophobicContact CD1-CG2 4.5Å; L1011-Q1097 PolarHBondContact N-O 2.99Å; L1011-L1098 HydrophobicContact CB-CD1 3.74Å; L1011-L1098 WeakPolarHBondContact O-CA 3.42Å; L1011-L1099 PolarHBondContact O-N 2.99Å; L1011-F1115 HydrophobicContact CD1-CE1 3.84Å; L1011-F1115 HydrophobicContact CD1-CZ 4.28Å |
| 1012 | A | 96.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A987 Q988 S989 L1099 T1136 L1137 | A987-A1012 PolarHBondContact O-N 3.12Å; Q988-A1012 CarbonylContact C-O 3.49Å; Q988-A1012 VanDerWaalsContact CA-O 3.27Å; Q988-A1012 WeakPolarHBondContact CA-O 3.13Å; Q988-A1012 HydrophobicContact CB-CB 4.12Å; Q988-A1012 HydrophobicContact CG-CB 3.78Å; Q988-A1012 WeakPolarHBondContact CG-O 3.1Å; S989-A1012 PolarHBondContact N-O 2.9Å; A1012-L1099 HydrophobicContact CB-CB 4.39Å; A1012-T1136 HydrophobicContact CB-CG2 4.46Å; A1012-L1137 HydrophobicContact CB-CD1 4.06Å; A1012-L1137 HydrophobicContact CB-CD2 4.01Å; A1012-L1137 HydrophobicContact CB-CG 3.85Å |
| 1013 | S | 95.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 33.6 | 61.1 | -175.5 | -64.6 | 0 | 0 | 0 | 0 | 115 | S989 A1015 L1099 S1101 T1136 | S989-S1013 WeakPolarHBondContact CA-O 3.3Å; S1013-A1015 PolarHBondContact O-N 3.39Å; S1013-L1099 PolarHBondContact N-O 3.01Å; S1013-S1101 WeakPolarHBondContact OG-CB 3.37Å; S1013-S1101 PolarHBondContact OG-N 3.44Å; S1013-S1101 PolarHBondContact OG-OG 3.01Å; S1013-S1101 VanDerWaalsContact OG-OG 3.11Å; S1013-T1136 WeakPolarHBondContact CB-OG1 3.16Å; S1013-T1136 PolarHBondContact OG-OG1 3.17Å |
| 1014 | P | 96.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -58.2 | 136 | -174.4 | -24.2 | 35.6 | 0 | 0 | 0 | 112.5 | A992 V993 L1011 F1016 L1098 | A992-P1014 HydrophobicContact CB-CB 3.82Å; A992-P1014 HydrophobicContact CB-CG 3.84Å; V993-P1014 HydrophobicContact CG2-CB 4.45Å; L1011-P1014 HydrophobicContact CB-CG 3.91Å; L1011-P1014 HydrophobicContact CD1-CG 4.44Å; P1014-F1016 HydrophobicContact CB-CD2 3.84Å; P1014-F1016 HydrophobicContact CB-CE2 3.62Å; P1014-F1016 HydrophobicContact CB-CG 4.39Å; P1014-F1016 HydrophobicContact CB-CZ 3.99Å; P1014-F1016 HydrophobicContact CG-CE2 4.11Å; P1014-F1016 PolarHBondContact O-N 3.35Å; P1014-L1098 HydrophobicContact CG-CD1 3.56Å | ||
| 1015 | A | 93.7 | Very high | 88 | Confident | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | trans | -79.2 | 43.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S989 V990 V993 S1013 K1017 V1018 V1107 | S989-A1015 PolarHBondContact O-N 3.3Å; S989-A1015 VanDerWaalsContact O-N 3.12Å; V990-A1015 HydrophobicContact CG2-CB 4.06Å; V993-A1015 HydrophobicContact CG2-CB 4.21Å; S1013-A1015 PolarHBondContact O-N 3.39Å; A1015-K1017 PolarHBondContact O-N 2.97Å; A1015-V1018 HydrophobicContact CB-CG2 4.36Å; A1015-V1107 HydrophobicContact CB-CG1 3.91Å | ||
| 1016 | F | 93.8 | Very high | 87.8 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -61.1 | -28.9 | -177 | -68.9 | -52.7 | 0 | 0 | 0 | 113.9 | V993 A996 P1014 S1082 I1085 I1086 P1111 Q1112 F1115 | V993-F1016 HydrophobicContact CG2-CD1 4.01Å; V993-F1016 HydrophobicContact CG2-CE1 4.31Å; A996-F1016 HydrophobicContact CB-CZ 4.44Å; P1014-F1016 HydrophobicContact CB-CD2 3.84Å; P1014-F1016 HydrophobicContact CB-CE2 3.62Å; P1014-F1016 HydrophobicContact CB-CG 4.39Å; P1014-F1016 HydrophobicContact CB-CZ 3.99Å; P1014-F1016 HydrophobicContact CG-CE2 4.11Å; P1014-F1016 PolarHBondContact O-N 3.35Å; F1016-S1082 WeakPolarHBondContact CA-OG 3.25Å; F1016-S1082 WeakPolarHBondContact O-CB 3.45Å; F1016-S1082 PolarHBondContact O-OG 2.64Å; F1016-I1085 HydrophobicContact CE1-CG2 4.19Å; F1016-I1086 HydrophobicContact CB-CD1 3.54Å; F1016-I1086 HydrophobicContact CB-CG1 4.35Å; F1016-I1086 HydrophobicContact CD1-CD1 4.16Å; F1016-I1086 HydrophobicContact CD1-CG1 4.08Å; F1016-I1086 HydrophobicContact CD2-CD1 4.21Å; F1016-I1086 HydrophobicContact CD2-CG1 4.25Å; F1016-I1086 HydrophobicContact CE1-CG1 4.44Å; F1016-I1086 HydrophobicContact CG-CD1 3.74Å; F1016-I1086 HydrophobicContact CG-CG1 3.99Å; F1016-P1111 HydrophobicContact CB-CB 4.08Å; F1016-Q1112 HydrophobicContact CD2-CG 4.05Å; F1016-F1115 HydrophobicContact CD2-CB 4.29Å; F1016-F1115 HydrophobicContact CE1-CD2 4.31Å; F1016-F1115 HydrophobicContact CE2-CB 3.63Å; F1016-F1115 AromaticContact CE2-CD1 3.78Å; F1016-F1115 HydrophobicContact CE2-CD1 3.78Å; F1016-F1115 HydrophobicContact CE2-CD2 4Å; F1016-F1115 HydrophobicContact CE2-CE1 4.43Å; F1016-F1115 AromaticContact CE2-CG 3.52Å; F1016-F1115 HydrophobicContact CE2-CG 3.52Å; F1016-F1115 HydrophobicContact CZ-CB 4.12Å; F1016-F1115 AromaticContact CZ-CD1 3.86Å; F1016-F1115 HydrophobicContact CZ-CD1 3.86Å; F1016-F1115 AromaticContact CZ-CD2 3.56Å; F1016-F1115 HydrophobicContact CZ-CD2 3.56Å; F1016-F1115 HydrophobicContact CZ-CE1 4.12Å; F1016-F1115 AromaticContact CZ-CE2 3.86Å; F1016-F1115 HydrophobicContact CZ-CE2 3.86Å; F1016-F1115 AromaticContact CZ-CG 3.56Å; F1016-F1115 HydrophobicContact CZ-CG 3.56Å; F1016-F1115 HydrophobicContact CZ-CZ 4.12Å |
| 1017 | K | 91.7 | Very high | 87.4 | Confident | 92 Ų | 92 | 44.3 Ų | 44.3 | 40% | 0.4 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -148.9 | 103 | 174.2 | -167.5 | -177.8 | 178.2 | 175.4 | 0 | 110.4 | A1015 Y1079 V1107 H1108 P1111 | A1015-K1017 PolarHBondContact O-N 2.97Å; K1017-Y1079 HydrophobicContact CG-CE1 4.07Å; K1017-V1107 CarbonylContact O-C 3.59Å; K1017-V1107 WeakPolarHBondContact O-CA 3.4Å; K1017-H1108 HydrophobicContact CB-CB 4.36Å; K1017-H1108 HydrophobicContact CD-CB 4.38Å; K1017-H1108 PolarHBondContact O-CD2 3.03Å; K1017-H1108 PolarHBondContact O-N 3.09Å; K1017-P1111 HydrophobicContact CB-CB 4.38Å; K1017-P1111 HydrophobicContact CB-CG 3.81Å; K1017-P1111 HydrophobicContact CD-CG 4.02Å |
| 1018 | V | 87.1 | Confident | 87 | Confident | 23 Ų | 23 | 45.3 Ų | 45.3 | 14% | 0.139 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -72.7 | 141.6 | 175.4 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | A1015 L1020 Y1079 V1106 V1107 | A1015-V1018 HydrophobicContact CB-CG2 4.36Å; V1018-L1020 PolarHBondContact O-N 2.61Å; V1018-L1020 VanDerWaalsContact O-N 3.12Å; V1018-Y1079 WeakPolarHBondContact CB-OH 3.24Å; V1018-Y1079 PolarHBondContact O-OH 3.17Å; V1018-V1106 CarbonylContact C-O 3.44Å; V1018-V1106 WeakPolarHBondContact CA-O 3.33Å; V1018-V1106 HydrophobicContact CG1-CG1 4.38Å; V1018-V1106 WeakPolarHBondContact CG1-O 3.27Å; V1018-V1107 HydrophobicContact CG2-CG1 4.31Å |
| 1019 | K | 84.8 | Confident | 86.9 | Confident | 56 Ų | 56 | 46.9 Ų | 46.9 | 24% | 0.243 | 25% | 0.25 | C | C | . | . | trans | -77.2 | 84 | -179.1 | -75.1 | 177.9 | 172.3 | 177.5 | 0 | 111.7 | Y1021 Y1044 D1104 Y1105 V1106 V1107 | K1019-Y1021 WeakPolarHBondContact O-CD2 3.49Å; K1019-Y1021 PolarHBondContact O-N 3.18Å; K1019-Y1044 PolarHBondContact O-OH 3.05Å; K1019-D1104 PolarHBondContact NZ-O 2.93Å; K1019-Y1105 WeakPolarHBondContact CD-O 3.32Å; K1019-V1106 WeakPolarHBondContact CB-O 3.49Å; K1019-V1106 PolarHBondContact N-O 2.92Å; K1019-V1107 VanDerWaalsContact CE-O 3.29Å; K1019-V1107 WeakPolarHBondContact CE-O 3.27Å | ||
| 1020 | L | 77.5 | Confident | 86.4 | Confident | 58 Ų | 58 | 48.4 Ų | 48.4 | 30% | 0.304 | 26% | 0.262 | S | S | . | . | trans | -77.9 | 109.1 | 170.7 | -68.5 | 168.4 | 0 | 0 | 0 | 110.1 | V1018 V1022 A1025 R1026 Y1079 | V1018-L1020 PolarHBondContact O-N 2.61Å; V1018-L1020 VanDerWaalsContact O-N 3.12Å; L1020-V1022 PolarHBondContact O-N 3.34Å; L1020-A1025 HydrophobicContact CB-CB 4.35Å; L1020-A1025 HydrophobicContact CD1-CB 4.25Å; L1020-R1026 HydrophobicContact CD1-CG 3.7Å; L1020-Y1079 HydrophobicContact CD1-CE2 3.85Å; L1020-Y1079 WeakPolarHBondContact CD1-OH 3.35Å; L1020-Y1079 VanDerWaalsContact CG-OH 3.27Å; L1020-Y1079 WeakPolarHBondContact CG-OH 3.14Å | ||
| 1021 | Y | 72.5 | Confident | 85.9 | Confident | 149 Ų | 149 | 52.9 Ų | 52.9 | 58% | 0.584 | 29% | 0.285 | S | S | * | . | trans | -70.9 | -15 | -177.8 | -64.9 | -80.2 | 0 | 0 | 0 | 114.4 | K1019 P1023 Y1044 Y1105 | K1019-Y1021 WeakPolarHBondContact O-CD2 3.49Å; K1019-Y1021 PolarHBondContact O-N 3.18Å; Y1021-P1023 WeakPolarHBondContact O-CD 3.28Å; Y1021-Y1044 HydrophobicContact CD2-CE2 4.19Å; Y1021-Y1044 HydrophobicContact CE2-CD2 4.49Å; Y1021-Y1044 AromaticContact CE2-CE2 3.75Å; Y1021-Y1044 HydrophobicContact CE2-CE2 3.75Å; Y1021-Y1105 PolarHBondContact OH-O 2.84Å | ||
| 1022 | V | 73.3 | Confident | 85.4 | Confident | 101 Ų | 101 | 58.7 Ų | 58.7 | 61% | 0.612 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -89.4 | 117 | 178.6 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | L1020 A1025 | L1020-V1022 PolarHBondContact O-N 3.34Å; V1022-A1025 HydrophobicContact CB-CB 4.06Å; V1022-A1025 HydrophobicContact CG1-CB 4.31Å; V1022-A1025 WeakPolarHBondContact O-CB 3.48Å; V1022-A1025 PolarHBondContact O-N 3.25Å |
| 1023 | P | 71 | Confident | 85.2 | Confident | 114 Ų | 114 | 61.6 Ų | 61.6 | 74% | 0.74 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 143.2 | 174 | -21.2 | 31.7 | 0 | 0 | 0 | 110.6 | Y1021 A1025 | Y1021-P1023 WeakPolarHBondContact O-CD 3.28Å; P1023-A1025 PolarHBondContact O-N 2.86Å; P1023-A1025 VanDerWaalsContact O-N 3.08Å |
| 1024 | L | 77.5 | Confident | 84.8 | Confident | 141 Ų | 141 | 71.8 Ų | 71.8 | 74% | 0.738 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 14.2 | -179.6 | -53.5 | 172.1 | 0 | 0 | 0 | 115.2 | R1026 P1027 A1028 | L1024-R1026 PolarHBondContact O-N 3.01Å; L1024-P1027 HydrophobicContact CB-CG 4.09Å; L1024-P1027 HydrophobicContact CD2-CG 4.2Å; L1024-P1027 WeakPolarHBondContact O-CD 3.5Å; L1024-P1027 VanDerWaalsContact O-CG 3.25Å; L1024-P1027 WeakPolarHBondContact O-CG 3.38Å; L1024-A1028 WeakPolarHBondContact O-CB 3.26Å; L1024-A1028 PolarHBondContact O-N 3.27Å |
| 1025 | A | 81.8 | Confident | 84.1 | Confident | 17 Ų | 17 | 78 Ų | 78 | 14% | 0.14 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1020 V1022 P1023 A1028 L1029 | L1020-A1025 HydrophobicContact CB-CB 4.35Å; L1020-A1025 HydrophobicContact CD1-CB 4.25Å; V1022-A1025 HydrophobicContact CB-CB 4.06Å; V1022-A1025 HydrophobicContact CG1-CB 4.31Å; V1022-A1025 WeakPolarHBondContact O-CB 3.48Å; V1022-A1025 PolarHBondContact O-N 3.25Å; P1023-A1025 PolarHBondContact O-N 2.86Å; P1023-A1025 VanDerWaalsContact O-N 3.08Å; A1025-A1028 PolarHBondContact O-N 3.15Å; A1025-L1029 WeakPolarHBondContact O-CB 3.45Å; A1025-L1029 VanDerWaalsContact O-CG 3.25Å; A1025-L1029 WeakPolarHBondContact O-CG 3.09Å; A1025-L1029 PolarHBondContact O-N 3.12Å |
| 1026 | R | 83.7 | Confident | 83.7 | Confident | 76 Ų | 76 | 86.9 Ų | 86.9 | 29% | 0.287 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -57.8 | -54.6 | 178.9 | -71.7 | 176.8 | 62.6 | -170.8 | -1.9 | 113 | L1020 L1024 A1028 L1029 A1030 Y1079 E1083 | L1020-R1026 HydrophobicContact CD1-CG 3.7Å; L1024-R1026 PolarHBondContact O-N 3.01Å; R1026-A1028 VanDerWaalsContact C-N 3.31Å; R1026-A1028 PolarHBondContact O-N 3.47Å; R1026-L1029 PolarHBondContact O-N 3.04Å; R1026-A1030 WeakPolarHBondContact O-CB 3.4Å; R1026-A1030 PolarHBondContact O-N 2.97Å; R1026-Y1079 HydrophobicContact CG-CD2 4.38Å; R1026-Y1079 HydrophobicContact CG-CE2 4.24Å; R1026-E1083 IonicContact CZ-OE1 2.97Å; R1026-E1083 VanDerWaalsContact CZ-OE1 3.3Å; R1026-E1083 IonicContact NH1-OE1 3.27Å; R1026-E1083 PolarHBondContact NH1-OE1 3.37Å; R1026-E1083 IonicContact NH2-OE1 3.61Å; R1026-E1083 PolarHBondContact NH2-OE1 2.87Å; R1026-E1083 IonicContact NH2-OE2 2.65Å |
| 1027 | P | 83.2 | Confident | 83.4 | Confident | 76 Ų | 76 | 88.2 Ų | 88.2 | 49% | 0.494 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.2 | -35.1 | 177.9 | 20.8 | -30.1 | 0 | 0 | 0 | 112.6 | L1024 A1030 L1031 | L1024-P1027 HydrophobicContact CB-CG 4.09Å; L1024-P1027 HydrophobicContact CD2-CG 4.2Å; L1024-P1027 WeakPolarHBondContact O-CD 3.5Å; L1024-P1027 VanDerWaalsContact O-CG 3.25Å; L1024-P1027 WeakPolarHBondContact O-CG 3.38Å; P1027-A1030 PolarHBondContact O-N 2.89Å; P1027-L1031 WeakPolarHBondContact O-CB 3.44Å; P1027-L1031 PolarHBondContact O-N 2.88Å |
| 1028 | A | 84.6 | Confident | 83.3 | Confident | 42 Ų | 42 | 87.8 Ų | 87.8 | 35% | 0.347 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.3 | -53.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1024 A1025 R1026 A1030 L1031 W1032 | L1024-A1028 WeakPolarHBondContact O-CB 3.26Å; L1024-A1028 PolarHBondContact O-N 3.27Å; A1025-A1028 PolarHBondContact O-N 3.15Å; R1026-A1028 VanDerWaalsContact C-N 3.31Å; R1026-A1028 PolarHBondContact O-N 3.47Å; A1028-A1030 VanDerWaalsContact C-N 3.28Å; A1028-A1030 PolarHBondContact O-N 2.85Å; A1028-L1031 WeakPolarHBondContact O-CB 3.34Å; A1028-L1031 PolarHBondContact O-N 2.84Å; A1028-W1032 PolarHBondContact O-N 3.15Å |
| 1029 | L | 89.9 | Confident | 83.5 | Confident | 34 Ų | 34 | 89.2 Ų | 89.2 | 18% | 0.178 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -58.5 | -38.7 | 178.6 | -69.1 | 178.5 | 0 | 0 | 0 | 112.8 | A1025 R1026 W1032 H1033 F1039 I1041 V1072 L1075 L1076 | A1025-L1029 WeakPolarHBondContact O-CB 3.45Å; A1025-L1029 VanDerWaalsContact O-CG 3.25Å; A1025-L1029 WeakPolarHBondContact O-CG 3.09Å; A1025-L1029 PolarHBondContact O-N 3.12Å; R1026-L1029 PolarHBondContact O-N 3.04Å; L1029-W1032 PolarHBondContact O-N 3.36Å; L1029-H1033 VanDerWaalsContact O-CB 3.3Å; L1029-H1033 WeakPolarHBondContact O-CB 3.33Å; L1029-H1033 PolarHBondContact O-N 3.42Å; L1029-F1039 HydrophobicContact CD2-CE2 4.17Å; L1029-F1039 HydrophobicContact CD2-CZ 3.98Å; L1029-I1041 HydrophobicContact CD1-CD1 3.56Å; L1029-I1041 HydrophobicContact CD2-CD1 3.43Å; L1029-I1041 VanDerWaalsContact CD2-CD1 3.43Å; L1029-I1041 HydrophobicContact CD2-CG1 4.45Å; L1029-I1041 HydrophobicContact CG-CD1 4.1Å; L1029-V1072 HydrophobicContact CB-CG2 4.09Å; L1029-L1075 HydrophobicContact CD1-CD2 3.91Å; L1029-L1076 HydrophobicContact CB-CD2 4.34Å |
| 1030 | A | 86.5 | Confident | 83.8 | Confident | 32 Ų | 32 | 90.9 Ų | 90.9 | 26% | 0.264 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1026 P1027 A1028 R1034 L1076 | R1026-A1030 WeakPolarHBondContact O-CB 3.4Å; R1026-A1030 PolarHBondContact O-N 2.97Å; P1027-A1030 PolarHBondContact O-N 2.89Å; A1028-A1030 VanDerWaalsContact C-N 3.28Å; A1028-A1030 PolarHBondContact O-N 2.85Å; A1030-R1034 WeakPolarHBondContact O-CG 3.38Å; A1030-R1034 PolarHBondContact O-N 3.4Å; A1030-R1034 VanDerWaalsContact O-N 3.14Å; A1030-L1076 HydrophobicContact CB-CD1 4.09Å; A1030-L1076 HydrophobicContact CB-CD2 4.23Å |
| 1031 | L | 86.3 | Confident | 84.3 | Confident | 93 Ų | 93 | 90.4 Ų | 90.4 | 49% | 0.487 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 174.6 | 179.2 | 63.1 | 0 | 0 | 0 | 111.1 | P1027 A1028 H1033 R1034 L1035 | P1027-L1031 WeakPolarHBondContact O-CB 3.44Å; P1027-L1031 PolarHBondContact O-N 2.88Å; A1028-L1031 WeakPolarHBondContact O-CB 3.34Å; A1028-L1031 PolarHBondContact O-N 2.84Å; L1031-H1033 PolarHBondContact O-N 2.92Å; L1031-R1034 WeakPolarHBondContact O-CB 3.18Å; L1031-R1034 PolarHBondContact O-N 3.39Å; L1031-L1035 HydrophobicContact CD1-CD1 4.05Å; L1031-L1035 HydrophobicContact CD1-CG 4.31Å; L1031-L1035 HydrophobicContact CG-CD1 3.93Å; L1031-L1035 WeakPolarHBondContact O-CG 3.43Å; L1031-L1035 PolarHBondContact O-N 3.45Å |
| 1032 | W | 87.4 | Confident | 84.9 | Confident | 122 Ų | 122 | 89.1 Ų | 89.1 | 46% | 0.462 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 179.4 | -77.5 | 64.2 | 0 | 0 | 0 | 112.2 | A1028 L1029 R1034 L1035 R1036 F1039 | A1028-W1032 PolarHBondContact O-N 3.15Å; L1029-W1032 PolarHBondContact O-N 3.36Å; W1032-R1034 VanDerWaalsContact C-N 3.34Å; W1032-L1035 PolarHBondContact O-N 3.26Å; W1032-R1036 WeakPolarHBondContact O-CB 3.37Å; W1032-R1036 PolarHBondContact O-N 3.18Å; W1032-F1039 HydrophobicContact CB-CE1 4.01Å; W1032-F1039 HydrophobicContact CB-CZ 4.08Å |
| 1033 | H | 91.4 | Very high | 85.3 | Confident | 62 Ų | 62 | 85.7 Ų | 85.7 | 29% | 0.287 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 172.6 | 178.2 | -125.3 | 0 | 0 | 0 | 111.7 | L1029 L1031 L1035 G1037 F1039 V1072 L1076 | L1029-H1033 VanDerWaalsContact O-CB 3.3Å; L1029-H1033 WeakPolarHBondContact O-CB 3.33Å; L1029-H1033 PolarHBondContact O-N 3.42Å; L1031-H1033 PolarHBondContact O-N 2.92Å; H1033-L1035 VanDerWaalsContact C-N 3.34Å; H1033-L1035 PolarHBondContact O-N 2.89Å; H1033-G1037 PolarHBondContact CD2-O 3.23Å; H1033-G1037 VanDerWaalsContact CD2-O 3.28Å; H1033-G1037 VanDerWaalsContact O-CA 3.26Å; H1033-G1037 WeakPolarHBondContact O-CA 3.35Å; H1033-G1037 PolarHBondContact O-N 2.73Å; H1033-F1039 HydrophobicContact CB-CE1 4.43Å; H1033-V1072 HydrophobicContact CB-CG1 3.99Å; H1033-V1072 HydrophobicContact CB-CG2 4.3Å; H1033-V1072 VanDerWaalsContact CD2-CG1 3.45Å; H1033-V1072 WeakPolarHBondContact CD2-CG1 3.37Å; H1033-L1076 HydrophobicContact CB-CD1 4.31Å |
| 1034 | R | 86.5 | Confident | 85.7 | Confident | 214 Ų | 214 | 84.3 Ų | 84.3 | 81% | 0.808 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66 | -33.9 | 174.3 | -74.1 | 178 | -178.2 | 174.3 | 1.1 | 113.1 | A1030 L1031 W1032 | A1030-R1034 WeakPolarHBondContact O-CG 3.38Å; A1030-R1034 PolarHBondContact O-N 3.4Å; A1030-R1034 VanDerWaalsContact O-N 3.14Å; L1031-R1034 WeakPolarHBondContact O-CB 3.18Å; L1031-R1034 PolarHBondContact O-N 3.39Å; W1032-R1034 VanDerWaalsContact C-N 3.34Å |
| 1035 | L | 82.8 | Confident | 85.9 | Confident | 131 Ų | 131 | 78.3 Ų | 78.3 | 69% | 0.686 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -87.4 | -38.4 | -176.4 | -67.9 | 174.1 | 0 | 0 | 0 | 113.7 | L1031 W1032 H1033 | L1031-L1035 HydrophobicContact CD1-CD1 4.05Å; L1031-L1035 HydrophobicContact CD1-CG 4.31Å; L1031-L1035 HydrophobicContact CG-CD1 3.93Å; L1031-L1035 WeakPolarHBondContact O-CG 3.43Å; L1031-L1035 PolarHBondContact O-N 3.45Å; W1032-L1035 PolarHBondContact O-N 3.26Å; H1033-L1035 VanDerWaalsContact C-N 3.34Å; H1033-L1035 PolarHBondContact O-N 2.89Å |
| 1036 | R | 85.6 | Confident | 86 | Confident | 187 Ų | 187 | 82.8 Ų | 82.8 | 71% | 0.706 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -108 | -7.1 | -174.4 | -71.6 | -167.9 | 166.8 | -171.4 | -5.6 | 114.6 | W1032 | W1032-R1036 WeakPolarHBondContact O-CB 3.37Å; W1032-R1036 PolarHBondContact O-N 3.18Å |
| 1037 | G | 86.3 | Confident | 86 | Confident | 32 Ų | 32 | 79.2 Ų | 79.2 | 33% | 0.33 | 39% | 0.387 | S | S | . | . | trans | 73.2 | -153.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H1033 F1039 | H1033-G1037 PolarHBondContact CD2-O 3.23Å; H1033-G1037 VanDerWaalsContact CD2-O 3.28Å; H1033-G1037 VanDerWaalsContact O-CA 3.26Å; H1033-G1037 WeakPolarHBondContact O-CA 3.35Å; H1033-G1037 PolarHBondContact O-N 2.73Å; G1037-F1039 WeakPolarHBondContact O-CD1 3.5Å | ||
| 1038 | L | 89.1 | Confident | 86.2 | Confident | 83 Ų | 83 | 83.1 Ų | 83.1 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -69.6 | 128.4 | -175.9 | -173.1 | 70.7 | 0 | 0 | 0 | 111.7 | Y954 A1071 N1073 | Y954-L1038 HydrophobicContact CD2-CD1 4.27Å; Y954-L1038 HydrophobicContact CD2-CD2 3.84Å; Y954-L1038 HydrophobicContact CE2-CD1 4.02Å; Y954-L1038 HydrophobicContact CE2-CD2 3.47Å; Y954-L1038 VanDerWaalsContact CE2-CD2 3.47Å; Y954-L1038 HydrophobicContact CE2-CG 4.41Å; L1038-A1071 HydrophobicContact CD1-CB 4.19Å; L1038-N1073 HydrophobicContact CD1-CB 4.22Å; L1038-N1073 VanDerWaalsContact CD1-OD1 3.31Å; L1038-N1073 WeakPolarHBondContact CD1-OD1 3.4Å |
| 1039 | F | 91.9 | Very high | 86.3 | Confident | 53 Ų | 53 | 84.8 Ų | 84.8 | 23% | 0.232 | 39% | 0.39 | C | S | . | . | trans | -144.3 | 168.8 | 169.6 | 65.9 | -88 | 0 | 0 | 0 | 110.6 | L1029 W1032 H1033 G1037 I1041 V1072 | L1029-F1039 HydrophobicContact CD2-CE2 4.17Å; L1029-F1039 HydrophobicContact CD2-CZ 3.98Å; W1032-F1039 HydrophobicContact CB-CE1 4.01Å; W1032-F1039 HydrophobicContact CB-CZ 4.08Å; H1033-F1039 HydrophobicContact CB-CE1 4.43Å; G1037-F1039 WeakPolarHBondContact O-CD1 3.5Å; F1039-I1041 HydrophobicContact CD2-CG1 4.14Å; F1039-I1041 HydrophobicContact CE2-CD1 4Å; F1039-I1041 HydrophobicContact CE2-CG1 3.72Å; F1039-V1072 HydrophobicContact CD1-CB 4.37Å; F1039-V1072 HydrophobicContact CD1-CG1 3.83Å; F1039-V1072 HydrophobicContact CD2-CB 4.4Å; F1039-V1072 HydrophobicContact CE1-CB 4.07Å; F1039-V1072 HydrophobicContact CE1-CG1 3.78Å; F1039-V1072 HydrophobicContact CE1-CG2 3.99Å; F1039-V1072 HydrophobicContact CE2-CB 4.11Å; F1039-V1072 HydrophobicContact CE2-CG2 4.15Å; F1039-V1072 HydrophobicContact CG-CG1 4.27Å; F1039-V1072 HydrophobicContact CZ-CB 3.94Å; F1039-V1072 HydrophobicContact CZ-CG1 4.19Å; F1039-V1072 HydrophobicContact CZ-CG2 3.65Å; F1039-V1072 WeakPolarHBondContact O-CG1 2.93Å; F1039-V1072 PolarHBondContact O-N 3.47Å | ||
| 1040 | F | 91.3 | Very high | 86.4 | Confident | 92 Ų | 92 | 83.5 Ų | 83.5 | 40% | 0.404 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 144.2 | -176.2 | -66.6 | -97.7 | 0 | 0 | 0 | 111.3 | R952 A1069 I1070 A1071 | R952-F1040 WeakPolarHBondContact O-CE1 3.46Å; F1040-A1069 HydrophobicContact CB-CB 4.31Å; F1040-A1069 HydrophobicContact CD1-CB 4.2Å; F1040-I1070 WeakPolarHBondContact CA-O 3.23Å; F1040-A1071 HydrophobicContact CD1-CB 4.05Å; F1040-A1071 HydrophobicContact CE1-CB 3.77Å; F1040-A1071 HydrophobicContact CZ-CB 4.31Å |
| 1041 | I | 87.2 | Confident | 86.6 | Confident | 47 Ų | 47 | 82.3 Ų | 82.3 | 24% | 0.241 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131.2 | 175.9 | -56 | 167.2 | 0 | 0 | 0 | 107.2 | L1029 F1039 A1069 I1070 V1072 L1075 | L1029-I1041 HydrophobicContact CD1-CD1 3.56Å; L1029-I1041 HydrophobicContact CD2-CD1 3.43Å; L1029-I1041 VanDerWaalsContact CD2-CD1 3.43Å; L1029-I1041 HydrophobicContact CD2-CG1 4.45Å; L1029-I1041 HydrophobicContact CG-CD1 4.1Å; F1039-I1041 HydrophobicContact CD2-CG1 4.14Å; F1039-I1041 HydrophobicContact CE2-CD1 4Å; F1039-I1041 HydrophobicContact CE2-CG1 3.72Å; I1041-A1069 WeakPolarHBondContact O-CA 3.41Å; I1041-I1070 HydrophobicContact CB-CG2 4.46Å; I1041-I1070 PolarHBondContact N-O 3.22Å; I1041-I1070 PolarHBondContact O-N 3.23Å; I1041-V1072 HydrophobicContact CD1-CB 4.48Å; I1041-V1072 HydrophobicContact CD1-CG2 4.26Å; I1041-L1075 HydrophobicContact CD1-CD2 4.08Å |
| 1042 | N | 86.1 | Confident | 87 | Confident | 122 Ų | 122 | 81.3 Ų | 81.3 | 65% | 0.652 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 130.9 | 172.8 | -76.4 | -32 | 0 | 0 | 0 | 110.3 | ||
| 1043 | S | 81 | Confident | 87.2 | Confident | 29 Ų | 29 | 76.5 Ų | 76.5 | 20% | 0.203 | 35% | 0.349 | C | S | . | . | trans | -65.1 | 137.3 | 175.8 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | H917 V1045 R1068 | H917-S1043 VanDerWaalsContact NE2-CB 3.25Å; H917-S1043 WeakPolarHBondContact NE2-CB 3.38Å; H917-S1043 PolarHBondContact NE2-OG 3.26Å; H917-S1043 VanDerWaalsContact NE2-OG 3.15Å; S1043-V1045 WeakPolarHBondContact OG-CB 3.34Å; S1043-V1045 WeakPolarHBondContact OG-CG2 3.3Å; S1043-V1045 PolarHBondContact OG-N 2.78Å; S1043-R1068 WeakPolarHBondContact CB-O 3.45Å; S1043-R1068 PolarHBondContact N-O 3.04Å | ||
| 1044 | Y | 80.1 | Confident | 87.2 | Confident | 85 Ų | 85 | 84.4 Ų | 84.4 | 33% | 0.333 | 38% | 0.376 | S | S | . | . | trans | -81 | -5.1 | 173.7 | 62.3 | -92 | 0 | 0 | 0 | 112.5 | K1019 Y1021 K1046 | K1019-Y1044 PolarHBondContact O-OH 3.05Å; Y1021-Y1044 HydrophobicContact CD2-CE2 4.19Å; Y1021-Y1044 HydrophobicContact CE2-CD2 4.49Å; Y1021-Y1044 AromaticContact CE2-CE2 3.75Å; Y1021-Y1044 HydrophobicContact CE2-CE2 3.75Å; Y1044-K1046 PolarHBondContact O-N 3.49Å | ||
| 1045 | V | 81.4 | Confident | 87.3 | Confident | 16 Ų | 16 | 82 Ų | 82 | 10% | 0.097 | 37% | 0.374 | C | S | . | . | trans | -69 | 123.5 | -178.2 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | S1043 L1050 V1106 | S1043-V1045 WeakPolarHBondContact OG-CB 3.34Å; S1043-V1045 WeakPolarHBondContact OG-CG2 3.3Å; S1043-V1045 PolarHBondContact OG-N 2.78Å; V1045-L1050 HydrophobicContact CG1-CD1 4.01Å; V1045-L1050 HydrophobicContact CG1-CD2 3.44Å; V1045-L1050 VanDerWaalsContact CG1-CD2 3.44Å; V1045-L1050 HydrophobicContact CG1-CG 3.71Å; V1045-V1106 HydrophobicContact CG1-CG2 4.27Å; V1045-V1106 HydrophobicContact CG2-CG1 4.1Å; V1045-V1106 HydrophobicContact CG2-CG2 4.21Å | ||
| 1046 | K | 83.6 | Confident | 87.6 | Confident | 111 Ų | 111 | 77.3 Ų | 77.3 | 48% | 0.483 | 35% | 0.347 | S | S | . | . | trans | -120.1 | 157.8 | 177.1 | -64.2 | -173.7 | 179.2 | -173.9 | 0 | 108.6 | Y1044 R1048 Y1049 | Y1044-K1046 PolarHBondContact O-N 3.49Å; K1046-R1048 HydrophobicContact CB-CG 4.25Å; K1046-R1048 PolarHBondContact O-N 3.4Å; K1046-Y1049 HydrophobicContact CB-CD2 4.11Å; K1046-Y1049 HydrophobicContact CB-CE2 4.4Å; K1046-Y1049 PolarHBondContact O-N 2.94Å | ||
| 1047 | G | 84.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -49.6 | -36.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y1049 L1050 T1051 N1061 | G1047-Y1049 PolarHBondContact O-N 3.27Å; G1047-Y1049 VanDerWaalsContact O-N 3.17Å; G1047-L1050 WeakPolarHBondContact O-CB 3.33Å; G1047-L1050 PolarHBondContact O-N 2.81Å; G1047-T1051 PolarHBondContact O-N 3.41Å; G1047-N1061 PolarHBondContact N-OD1 2.94Å |
| 1048 | R | 87.4 | Confident | 88 | Confident | 159 Ų | 159 | 69.3 Ų | 69.3 | 60% | 0.6 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -63.6 | -16.9 | 177.9 | 72.6 | 178.7 | -178.6 | -171.9 | 2.6 | 116 | K1046 | K1046-R1048 HydrophobicContact CB-CG 4.25Å; K1046-R1048 PolarHBondContact O-N 3.4Å |
| 1049 | Y | 87.1 | Confident | 88 | Confident | 77 Ų | 77 | 68 Ų | 68 | 30% | 0.302 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -100.5 | -7.3 | 176.4 | -60.2 | -58.4 | 0 | 0 | 0 | 112.2 | K1046 G1047 Y1105 | K1046-Y1049 HydrophobicContact CB-CD2 4.11Å; K1046-Y1049 HydrophobicContact CB-CE2 4.4Å; K1046-Y1049 PolarHBondContact O-N 2.94Å; G1047-Y1049 PolarHBondContact O-N 3.27Å; G1047-Y1049 VanDerWaalsContact O-N 3.17Å; Y1049-Y1105 HydrophobicContact CD1-CG 4.36Å |
| 1050 | L | 90.9 | Very high | 88 | Confident | 6 Ų | 6 | 65.9 Ų | 65.9 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -41.2 | -176 | -69.1 | -180 | 0 | 0 | 0 | 111.3 | V1045 G1047 F1060 V1106 Y1133 H1134 D1135 | V1045-L1050 HydrophobicContact CG1-CD1 4.01Å; V1045-L1050 HydrophobicContact CG1-CD2 3.44Å; V1045-L1050 VanDerWaalsContact CG1-CD2 3.44Å; V1045-L1050 HydrophobicContact CG1-CG 3.71Å; G1047-L1050 WeakPolarHBondContact O-CB 3.33Å; G1047-L1050 PolarHBondContact O-N 2.81Å; L1050-F1060 HydrophobicContact CD1-CD1 3.82Å; L1050-F1060 HydrophobicContact CD1-CD2 3.63Å; L1050-F1060 HydrophobicContact CD1-CE1 3.78Å; L1050-F1060 HydrophobicContact CD1-CE2 3.57Å; L1050-F1060 HydrophobicContact CD1-CG 3.76Å; L1050-F1060 HydrophobicContact CD1-CZ 3.65Å; L1050-V1106 HydrophobicContact CD2-CG2 4.19Å; L1050-Y1133 CarbonylContact O-C 3.58Å; L1050-Y1133 WeakPolarHBondContact O-CB 3.21Å; L1050-H1134 HydrophobicContact CD2-CB 4.05Å; L1050-H1134 PolarHBondContact O-N 3.48Å; L1050-D1135 HydrophobicContact CB-CB 4.32Å; L1050-D1135 WeakPolarHBondContact O-CA 3.31Å; L1050-D1135 WeakPolarHBondContact O-CB 3.42Å; L1050-D1135 PolarHBondContact O-N 3.29Å |
| 1051 | T | 92.3 | Very high | 88 | Confident | 8 Ų | 8 | 64.4 Ų | 64.4 | 5% | 0.049 | 30% | 0.303 | C | S | . | . | trans | -153.4 | 151.3 | -172.1 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | G1047 D1053 R1056 G1138 E1139 | G1047-T1051 PolarHBondContact O-N 3.41Å; T1051-D1053 VanDerWaalsContact C-N 3.27Å; T1051-D1053 HydrophobicContact CG2-CB 4.25Å; T1051-D1053 WeakPolarHBondContact CG2-O 3.48Å; T1051-D1053 VanDerWaalsContact OG1-CB 3.28Å; T1051-D1053 WeakPolarHBondContact OG1-CB 3.48Å; T1051-D1053 PolarHBondContact OG1-N 3.47Å; T1051-R1056 HydrophobicContact CG2-CB 4.08Å; T1051-R1056 HydrophobicContact CG2-CG 4.46Å; T1051-G1138 PolarHBondContact OG1-O 2.93Å; T1051-E1139 VanDerWaalsContact CA-OE2 3.29Å; T1051-E1139 WeakPolarHBondContact CA-OE2 3.16Å; T1051-E1139 WeakPolarHBondContact OG1-CA 3.07Å | ||
| 1052 | H | 94.2 | Very high | 88.2 | Confident | 71 Ų | 71 | 68.5 Ų | 68.5 | 33% | 0.329 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -75.5 | -19.6 | 166.2 | -59.8 | 83.3 | 0 | 0 | 0 | 112.1 | R1054 G1131 Y1133 E1139 E1140 | H1052-R1054 PolarHBondContact O-N 2.96Å; H1052-G1131 PolarHBondContact CE1-O 2.85Å; H1052-Y1133 AromaticContact CD2-CE2 3.97Å; H1052-Y1133 AromaticContact CD2-CZ 3.8Å; H1052-Y1133 AromaticContact CE1-CD1 3.24Å; H1052-Y1133 WeakPolarHBondContact CE1-CD1 3.31Å; H1052-Y1133 AromaticContact CE1-CD2 3.84Å; H1052-Y1133 AromaticContact CE1-CE1 3.02Å; H1052-Y1133 WeakPolarHBondContact CE1-CE1 3.41Å; H1052-Y1133 AromaticContact CE1-CE2 3.7Å; H1052-Y1133 AromaticContact CE1-CG 3.63Å; H1052-Y1133 AromaticContact CE1-CZ 3.28Å; H1052-Y1133 AromaticContact ND1-CD1 3.96Å; H1052-Y1133 AromaticContact ND1-CD2 3.96Å; H1052-Y1133 AromaticContact ND1-CG 3.9Å; H1052-Y1133 AromaticContact NE2-CD1 3.91Å; H1052-Y1133 AromaticContact NE2-CE1 3.19Å; H1052-Y1133 WeakPolarHBondContact NE2-CE1 3.21Å; H1052-Y1133 AromaticContact NE2-CE2 3.63Å; H1052-Y1133 AromaticContact NE2-CZ 3.03Å; H1052-Y1133 PolarHBondContact NE2-OH 3.34Å; H1052-Y1133 VanDerWaalsContact NE2-OH 3.16Å; H1052-E1139 WeakPolarHBondContact CB-OE1 3.39Å; H1052-E1139 IonicContact CG-OE1 2.8Å; H1052-E1139 PolarHBondContact N-OE1 3.38Å; H1052-E1139 PolarHBondContact N-OE2 2.9Å; H1052-E1139 IonicContact ND1-OE1 3.3Å; H1052-E1139 PolarHBondContact ND1-OE1 2.96Å; H1052-E1139 IonicContact ND1-OE2 2.8Å; H1052-E1140 HydrophobicContact CB-CB 4.13Å |
| 1053 | D | 92.1 | Very high | 88.5 | Confident | 21 Ų | 21 | 64.2 Ų | 64.2 | 11% | 0.112 | 30% | 0.303 | C | S | . | . | trans | -63.7 | 102.9 | 176.3 | -176.3 | -28.1 | 0 | 0 | 0 | 109.9 | T1051 Q1055 R1056 G1057 E1140 R1142 | T1051-D1053 VanDerWaalsContact C-N 3.27Å; T1051-D1053 HydrophobicContact CG2-CB 4.25Å; T1051-D1053 WeakPolarHBondContact CG2-O 3.48Å; T1051-D1053 VanDerWaalsContact OG1-CB 3.28Å; T1051-D1053 WeakPolarHBondContact OG1-CB 3.48Å; T1051-D1053 PolarHBondContact OG1-N 3.47Å; D1053-Q1055 VanDerWaalsContact C-N 3.25Å; D1053-Q1055 PolarHBondContact O-N 3.34Å; D1053-Q1055 WeakPolarHBondContact OD1-CB 3.39Å; D1053-Q1055 PolarHBondContact OD1-N 3.19Å; D1053-R1056 HydrophobicContact CB-CB 3.94Å; D1053-R1056 PolarHBondContact O-N 3.29Å; D1053-R1056 PolarHBondContact OD1-N 2.98Å; D1053-G1057 PolarHBondContact O-N 3.03Å; D1053-E1140 HydrophobicContact CB-CB 4.35Å; D1053-R1142 IonicContact OD2-CZ 3.82Å; D1053-R1142 IonicContact OD2-NH1 3.14Å; D1053-R1142 PolarHBondContact OD2-NH1 2.9Å; D1053-R1142 IonicContact OD2-NH2 3.82Å; D1053-R1142 PolarHBondContact OD2-NH2 3.12Å | ||
| 1054 | R | 89.8 | Confident | 89 | Confident | 228 Ų | 228 | 68.7 Ų | 68.7 | 86% | 0.86 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.9 | -35 | -176.2 | -64.9 | -175.1 | -178.5 | -178.6 | 1.8 | 112.3 | H1052 A1058 | H1052-R1054 PolarHBondContact O-N 2.96Å; R1054-A1058 WeakPolarHBondContact O-CB 3.41Å; R1054-A1058 PolarHBondContact O-N 2.87Å |
| 1055 | Q | 88.7 | Confident | 89.6 | Confident | 164 Ų | 164 | 67.3 Ų | 67.3 | 77% | 0.766 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -70.1 | -45.6 | -179.6 | -66.4 | -175.9 | -7.2 | 0 | 0 | 110.3 | D1053 G1057 A1058 S1059 | D1053-Q1055 VanDerWaalsContact C-N 3.25Å; D1053-Q1055 PolarHBondContact O-N 3.34Å; D1053-Q1055 WeakPolarHBondContact OD1-CB 3.39Å; D1053-Q1055 PolarHBondContact OD1-N 3.19Å; Q1055-G1057 VanDerWaalsContact C-N 3.35Å; Q1055-A1058 PolarHBondContact O-N 2.84Å; Q1055-S1059 WeakPolarHBondContact O-CB 3.47Å; Q1055-S1059 PolarHBondContact O-N 2.97Å |
| 1056 | R | 90 | Very high | 90.1 | Very high | 32 Ų | 32 | 67.4 Ų | 67.4 | 12% | 0.121 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 178.3 | -162.4 | -179.6 | -172.1 | 89.1 | 15 | 111.9 | R922 H925 T1051 D1053 S1059 F1060 D1135 G1138 | R922-R1056 PolarHBondContact O-NH2 3.46Å; H925-R1056 PolarHBondContact CD2-NH1 3.31Å; H925-R1056 VanDerWaalsContact CD2-NH1 3.32Å; H925-R1056 PolarHBondContact CE1-NH1 2.93Å; H925-R1056 PolarHBondContact CE1-NH2 2.87Å; H925-R1056 VanDerWaalsContact CG-NH1 3.31Å; H925-R1056 PolarHBondContact ND1-NH1 2.59Å; H925-R1056 VanDerWaalsContact ND1-NH1 3.18Å; H925-R1056 PolarHBondContact ND1-NH2 2.88Å; H925-R1056 VanDerWaalsContact ND1-NH2 3.15Å; H925-R1056 PolarHBondContact NE2-NH1 3.15Å; H925-R1056 VanDerWaalsContact NE2-NH1 3.2Å; H925-R1056 PolarHBondContact NE2-NH2 2.84Å; T1051-R1056 HydrophobicContact CG2-CB 4.08Å; T1051-R1056 HydrophobicContact CG2-CG 4.46Å; D1053-R1056 HydrophobicContact CB-CB 3.94Å; D1053-R1056 PolarHBondContact O-N 3.29Å; D1053-R1056 PolarHBondContact OD1-N 2.98Å; R1056-S1059 PolarHBondContact O-N 3.2Å; R1056-F1060 PolarHBondContact O-N 2.92Å; R1056-D1135 WeakPolarHBondContact CD-OD2 3.44Å; R1056-D1135 IonicContact CZ-OD2 3.44Å; R1056-D1135 IonicContact NE-OD2 2.79Å; R1056-D1135 PolarHBondContact NE-OD2 3.38Å; R1056-G1138 WeakPolarHBondContact CD-O 3.26Å; R1056-G1138 VanDerWaalsContact NE-CA 3.3Å |
| 1057 | G | 89.8 | Confident | 90.5 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1053 Q1055 N1061 | D1053-G1057 PolarHBondContact O-N 3.03Å; Q1055-G1057 VanDerWaalsContact C-N 3.35Å; G1057-N1061 VanDerWaalsContact O-CG 3.29Å; G1057-N1061 PolarHBondContact O-N 3.22Å; G1057-N1061 PolarHBondContact O-ND2 3.1Å |
| 1058 | A | 89.2 | Confident | 90.6 | Very high | 44 Ų | 44 | 68.6 Ų | 68.6 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.5 | -44.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | R1054 Q1055 F1060 N1061 N1062 | R1054-A1058 WeakPolarHBondContact O-CB 3.41Å; R1054-A1058 PolarHBondContact O-N 2.87Å; Q1055-A1058 PolarHBondContact O-N 2.84Å; A1058-F1060 VanDerWaalsContact C-N 3.35Å; A1058-F1060 PolarHBondContact O-N 3.26Å; A1058-N1061 PolarHBondContact O-N 3.36Å; A1058-N1061 VanDerWaalsContact O-N 3.1Å; A1058-N1062 PolarHBondContact O-N 3.01Å; A1058-N1062 VanDerWaalsContact O-N 3.13Å; A1058-N1062 PolarHBondContact O-ND2 3.41Å |
| 1059 | S | 90.7 | Very high | 90.6 | Very high | 56 Ų | 56 | 62.1 Ų | 62.1 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -54.7 | -48.9 | 174.7 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | R922 Q1055 R1056 N1061 N1062 D1063 | R922-S1059 PolarHBondContact NH1-OG 3.17Å; Q1055-S1059 WeakPolarHBondContact O-CB 3.47Å; Q1055-S1059 PolarHBondContact O-N 2.97Å; R1056-S1059 PolarHBondContact O-N 3.2Å; S1059-N1061 VanDerWaalsContact C-N 3.27Å; S1059-N1061 PolarHBondContact O-N 3.49Å; S1059-N1062 PolarHBondContact O-N 3.32Å; S1059-D1063 WeakPolarHBondContact O-CB 3.17Å; S1059-D1063 PolarHBondContact O-N 3.18Å |
| 1060 | F | 91.5 | Very high | 90.8 | Very high | 9 Ų | 9 | 59.8 Ų | 59.8 | 4% | 0.039 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.7 | -38.8 | 177 | 179.1 | -89.8 | 0 | 0 | 0 | 112.8 | E918 L1050 R1056 A1058 N1062 I1066 | E918-F1060 HydrophobicContact CG-CD2 4.39Å; E918-F1060 HydrophobicContact CG-CE2 4Å; E918-F1060 WeakPolarHBondContact OE1-CD2 3.27Å; L1050-F1060 HydrophobicContact CD1-CD1 3.82Å; L1050-F1060 HydrophobicContact CD1-CD2 3.63Å; L1050-F1060 HydrophobicContact CD1-CE1 3.78Å; L1050-F1060 HydrophobicContact CD1-CE2 3.57Å; L1050-F1060 HydrophobicContact CD1-CG 3.76Å; L1050-F1060 HydrophobicContact CD1-CZ 3.65Å; R1056-F1060 PolarHBondContact O-N 2.92Å; A1058-F1060 VanDerWaalsContact C-N 3.35Å; A1058-F1060 PolarHBondContact O-N 3.26Å; F1060-N1062 VanDerWaalsContact C-N 3.33Å; F1060-I1066 HydrophobicContact CD2-CD1 3.81Å; F1060-I1066 HydrophobicContact CD2-CG1 4.27Å; F1060-I1066 HydrophobicContact CE1-CG2 4.4Å; F1060-I1066 HydrophobicContact CE2-CD1 3.77Å; F1060-I1066 HydrophobicContact CE2-CG1 4.35Å; F1060-I1066 HydrophobicContact CE2-CG2 4.06Å; F1060-I1066 HydrophobicContact CZ-CG2 3.9Å |
| 1061 | N | 90 | Very high | 90.8 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 33% | 0.326 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -73.2 | -27.3 | -178 | -66.8 | -34.8 | 0 | 0 | 0 | 112.9 | G1047 G1057 A1058 S1059 R1068 | G1047-N1061 PolarHBondContact N-OD1 2.94Å; G1057-N1061 VanDerWaalsContact O-CG 3.29Å; G1057-N1061 PolarHBondContact O-N 3.22Å; G1057-N1061 PolarHBondContact O-ND2 3.1Å; A1058-N1061 PolarHBondContact O-N 3.36Å; A1058-N1061 VanDerWaalsContact O-N 3.1Å; S1059-N1061 VanDerWaalsContact C-N 3.27Å; S1059-N1061 PolarHBondContact O-N 3.49Å; N1061-R1068 PolarHBondContact O-NH2 3.4Å; N1061-R1068 VanDerWaalsContact O-NH2 3.1Å |
| 1062 | N | 91.4 | Very high | 90.8 | Very high | 133 Ų | 133 | 59.1 Ų | 59.1 | 71% | 0.711 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -104.2 | -9.2 | -172.2 | -66 | -18 | 0 | 0 | 0 | 114.1 | A1058 S1059 F1060 P1064 | A1058-N1062 PolarHBondContact O-N 3.01Å; A1058-N1062 VanDerWaalsContact O-N 3.13Å; A1058-N1062 PolarHBondContact O-ND2 3.41Å; S1059-N1062 PolarHBondContact O-N 3.32Å; F1060-N1062 VanDerWaalsContact C-N 3.33Å; N1062-P1064 WeakPolarHBondContact O-CD 3.49Å |
| 1063 | D | 92.2 | Very high | 90.7 | Very high | 31 Ų | 31 | 56.5 Ų | 56.5 | 17% | 0.166 | 29% | 0.289 | C | S | . | . | trans | -74.6 | 117.1 | -178.5 | 179 | -10.9 | 0 | 0 | 0 | 111.3 | H919 R922 S1059 L1065 I1066 | H919-D1063 IonicContact CD2-OD2 3.31Å; H919-D1063 IonicContact NE2-OD1 3.19Å; H919-D1063 IonicContact NE2-OD2 2.86Å; H919-D1063 PolarHBondContact NE2-OD2 3.24Å; H919-D1063 VanDerWaalsContact NE2-OD2 3.08Å; R922-D1063 WeakPolarHBondContact CD-OD2 3.32Å; R922-D1063 IonicContact CZ-OD2 3.23Å; R922-D1063 IonicContact NH1-OD2 3.36Å; R922-D1063 PolarHBondContact NH1-OD2 3.45Å; S1059-D1063 WeakPolarHBondContact O-CB 3.17Å; S1059-D1063 PolarHBondContact O-N 3.18Å; D1063-L1065 PolarHBondContact O-N 3.4Å; D1063-L1065 WeakPolarHBondContact OD1-CB 3.42Å; D1063-L1065 PolarHBondContact OD1-N 3Å; D1063-I1066 HydrophobicContact CB-CG1 3.72Å; D1063-I1066 WeakPolarHBondContact O-CB 3.35Å; D1063-I1066 PolarHBondContact O-N 2.94Å | ||
| 1064 | P | 91.6 | Very high | 90.7 | Very high | 123 Ų | 123 | 56.4 Ų | 56.4 | 80% | 0.799 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -16.2 | -175.1 | 30.1 | -35.9 | 0 | 0 | 0 | 113.3 | N1062 I1066 | N1062-P1064 WeakPolarHBondContact O-CD 3.49Å; P1064-I1066 VanDerWaalsContact C-N 3.29Å |
| 1065 | L | 93.6 | Very high | 90.7 | Very high | 57 Ų | 57 | 46.4 Ų | 46.4 | 30% | 0.298 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -8.3 | 177.7 | -62.1 | 179.7 | 0 | 0 | 0 | 112.3 | H919 D1063 T1067 | H919-L1065 VanDerWaalsContact CD2-CB 3.41Å; H919-L1065 WeakPolarHBondContact CD2-CB 3.19Å; D1063-L1065 PolarHBondContact O-N 3.4Å; D1063-L1065 WeakPolarHBondContact OD1-CB 3.42Å; D1063-L1065 PolarHBondContact OD1-N 3Å; L1065-T1067 PolarHBondContact O-N 3.39Å |
| 1066 | I | 92.1 | Very high | 90.9 | Very high | 18 Ų | 18 | 39.4 Ų | 39.4 | 9% | 0.092 | 22% | 0.22 | C | C | . | . | trans | -69.1 | 121.1 | 174.9 | -65.5 | -62.8 | 0 | 0 | 0 | 111 | H917 E918 F1060 D1063 P1064 R1068 | H917-I1066 WeakPolarHBondContact O-CA 3.32Å; E918-I1066 HydrophobicContact CB-CD1 4.25Å; E918-I1066 HydrophobicContact CG-CD1 3.87Å; F1060-I1066 HydrophobicContact CD2-CD1 3.81Å; F1060-I1066 HydrophobicContact CD2-CG1 4.27Å; F1060-I1066 HydrophobicContact CE1-CG2 4.4Å; F1060-I1066 HydrophobicContact CE2-CD1 3.77Å; F1060-I1066 HydrophobicContact CE2-CG1 4.35Å; F1060-I1066 HydrophobicContact CE2-CG2 4.06Å; F1060-I1066 HydrophobicContact CZ-CG2 3.9Å; D1063-I1066 HydrophobicContact CB-CG1 3.72Å; D1063-I1066 WeakPolarHBondContact O-CB 3.35Å; D1063-I1066 PolarHBondContact O-N 2.94Å; P1064-I1066 VanDerWaalsContact C-N 3.29Å; I1066-R1068 HydrophobicContact CG2-CG 4.17Å; I1066-R1068 PolarHBondContact O-N 3.44Å | ||
| 1067 | T | 90.9 | Very high | 90.9 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 6% | 0.055 | 22% | 0.224 | C | C | . | . | trans | -100 | 88.3 | -175.8 | -65.8 | 0 | 0 | 0 | 0 | 111 | H917 R952 L1065 A1069 | H917-T1067 WeakPolarHBondContact CB-O 3.34Å; H917-T1067 VanDerWaalsContact CG-O 3.28Å; H917-T1067 PolarHBondContact ND1-O 3.4Å; H917-T1067 PolarHBondContact O-N 3.27Å; R952-T1067 HydrophobicContact CB-CG2 3.62Å; R952-T1067 HydrophobicContact CG-CG2 4.49Å; L1065-T1067 PolarHBondContact O-N 3.39Å; T1067-A1069 VanDerWaalsContact C-N 3.32Å; T1067-A1069 PolarHBondContact O-N 3.24Å | ||
| 1068 | R | 87.6 | Confident | 91 | Very high | 127 Ų | 127 | 39.7 Ų | 39.7 | 48% | 0.479 | 22% | 0.222 | S | C | . | . | trans | -68.6 | -26.5 | -175.5 | -63.6 | -173.7 | -177.2 | 173.2 | 4.4 | 114.6 | S1043 N1061 I1066 | S1043-R1068 WeakPolarHBondContact CB-O 3.45Å; S1043-R1068 PolarHBondContact N-O 3.04Å; N1061-R1068 PolarHBondContact O-NH2 3.4Å; N1061-R1068 VanDerWaalsContact O-NH2 3.1Å; I1066-R1068 HydrophobicContact CG2-CG 4.17Å; I1066-R1068 PolarHBondContact O-N 3.44Å | ||
| 1069 | A | 87.2 | Confident | 91.1 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 139.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | G953 F1040 I1041 T1067 | G953-A1069 WeakPolarHBondContact CA-O 3.38Å; F1040-A1069 HydrophobicContact CB-CB 4.31Å; F1040-A1069 HydrophobicContact CD1-CB 4.2Å; I1041-A1069 WeakPolarHBondContact O-CA 3.41Å; T1067-A1069 VanDerWaalsContact C-N 3.32Å; T1067-A1069 PolarHBondContact O-N 3.24Å |
| 1070 | I | 90.3 | Very high | 91.1 | Very high | 29 Ų | 29 | 40.8 Ų | 40.8 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.8 | 167.4 | -171.6 | 167.7 | 0 | 0 | 0 | 109 | F1040 I1041 I1074 L1075 | F1040-I1070 WeakPolarHBondContact CA-O 3.23Å; I1041-I1070 HydrophobicContact CB-CG2 4.46Å; I1041-I1070 PolarHBondContact N-O 3.22Å; I1041-I1070 PolarHBondContact O-N 3.23Å; I1070-I1074 HydrophobicContact CD1-CG2 4.32Å; I1070-I1074 HydrophobicContact CG1-CB 4.47Å; I1070-I1074 HydrophobicContact CG1-CG2 4.41Å; I1070-L1075 HydrophobicContact CD1-CB 4.12Å; I1070-L1075 HydrophobicContact CD1-CD1 4.35Å; I1070-L1075 HydrophobicContact CG1-CB 4.4Å |
| 1071 | A | 92.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 137.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | G953 Y954 L1038 F1040 N1073 I1074 L1075 | G953-A1071 WeakPolarHBondContact O-CB 3.17Å; G953-A1071 PolarHBondContact O-N 2.77Å; Y954-A1071 HydrophobicContact CD2-CB 3.8Å; L1038-A1071 HydrophobicContact CD1-CB 4.19Å; F1040-A1071 HydrophobicContact CD1-CB 4.05Å; F1040-A1071 HydrophobicContact CE1-CB 3.77Å; F1040-A1071 HydrophobicContact CZ-CB 4.31Å; A1071-N1073 WeakPolarHBondContact CB-OD1 3.34Å; A1071-N1073 PolarHBondContact O-N 3.4Å; A1071-I1074 HydrophobicContact CB-CG1 4.44Å; A1071-I1074 PolarHBondContact O-N 3.43Å; A1071-I1074 VanDerWaalsContact O-N 3.16Å; A1071-L1075 PolarHBondContact O-N 2.93Å; A1071-L1075 VanDerWaalsContact O-N 3.13Å |
| 1072 | V | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.8 | -31.7 | -174.7 | 68.9 | 0 | 0 | 0 | 0 | 113.1 | L1029 H1033 F1039 I1041 L1076 | L1029-V1072 HydrophobicContact CB-CG2 4.09Å; H1033-V1072 HydrophobicContact CB-CG1 3.99Å; H1033-V1072 HydrophobicContact CB-CG2 4.3Å; H1033-V1072 VanDerWaalsContact CD2-CG1 3.45Å; H1033-V1072 WeakPolarHBondContact CD2-CG1 3.37Å; F1039-V1072 HydrophobicContact CD1-CB 4.37Å; F1039-V1072 HydrophobicContact CD1-CG1 3.83Å; F1039-V1072 HydrophobicContact CD2-CB 4.4Å; F1039-V1072 HydrophobicContact CE1-CB 4.07Å; F1039-V1072 HydrophobicContact CE1-CG1 3.78Å; F1039-V1072 HydrophobicContact CE1-CG2 3.99Å; F1039-V1072 HydrophobicContact CE2-CB 4.11Å; F1039-V1072 HydrophobicContact CE2-CG2 4.15Å; F1039-V1072 HydrophobicContact CG-CG1 4.27Å; F1039-V1072 HydrophobicContact CZ-CB 3.94Å; F1039-V1072 HydrophobicContact CZ-CG1 4.19Å; F1039-V1072 HydrophobicContact CZ-CG2 3.65Å; F1039-V1072 WeakPolarHBondContact O-CG1 2.93Å; F1039-V1072 PolarHBondContact O-N 3.47Å; I1041-V1072 HydrophobicContact CD1-CB 4.48Å; I1041-V1072 HydrophobicContact CD1-CG2 4.26Å; V1072-L1076 HydrophobicContact CG2-CD1 4.04Å; V1072-L1076 HydrophobicContact CG2-CG 4.37Å; V1072-L1076 WeakPolarHBondContact O-CB 3.25Å; V1072-L1076 VanDerWaalsContact O-CG 3.28Å; V1072-L1076 WeakPolarHBondContact O-CG 3.26Å; V1072-L1076 PolarHBondContact O-N 3.44Å |
| 1073 | N | 92.1 | Very high | 91.3 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 8% | 0.08 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.3 | -48.6 | 175.8 | 65 | -38.1 | 0 | 0 | 0 | 111.2 | S955 P956 L1038 A1071 L1075 L1076 D1077 | S955-N1073 PolarHBondContact O-ND2 3.21Å; S955-N1073 VanDerWaalsContact O-ND2 3.08Å; P956-N1073 PolarHBondContact O-ND2 3.33Å; L1038-N1073 HydrophobicContact CD1-CB 4.22Å; L1038-N1073 VanDerWaalsContact CD1-OD1 3.31Å; L1038-N1073 WeakPolarHBondContact CD1-OD1 3.4Å; A1071-N1073 WeakPolarHBondContact CB-OD1 3.34Å; A1071-N1073 PolarHBondContact O-N 3.4Å; N1073-L1075 PolarHBondContact O-N 2.85Å; N1073-L1076 PolarHBondContact O-N 3.4Å; N1073-D1077 WeakPolarHBondContact O-CB 3.3Å; N1073-D1077 VanDerWaalsContact O-CG 3.26Å; N1073-D1077 PolarHBondContact O-N 3.25Å |
| 1074 | I | 92 | Very high | 91.3 | Very high | 20 Ų | 20 | 34.4 Ų | 34.4 | 10% | 0.103 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 179.1 | -62.4 | -53 | 0 | 0 | 0 | 111.6 | S955 L958 I1070 A1071 D1077 L1078 | S955-I1074 WeakPolarHBondContact O-CD1 3.48Å; L958-I1074 HydrophobicContact CD1-CG2 4.45Å; I1070-I1074 HydrophobicContact CD1-CG2 4.32Å; I1070-I1074 HydrophobicContact CG1-CB 4.47Å; I1070-I1074 HydrophobicContact CG1-CG2 4.41Å; A1071-I1074 HydrophobicContact CB-CG1 4.44Å; A1071-I1074 PolarHBondContact O-N 3.43Å; A1071-I1074 VanDerWaalsContact O-N 3.16Å; I1074-D1077 PolarHBondContact O-N 3.35Å; I1074-L1078 VanDerWaalsContact O-CB 3.29Å; I1074-L1078 WeakPolarHBondContact O-CB 3.32Å; I1074-L1078 PolarHBondContact O-N 2.97Å |
| 1075 | L | 90.4 | Very high | 91.4 | Very high | 18 Ų | 18 | 28.6 Ų | 28.6 | 9% | 0.094 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62 | -46 | 176 | -179.3 | 62.7 | 0 | 0 | 0 | 111.8 | L1029 I1041 I1070 A1071 N1073 Y1079 | L1029-L1075 HydrophobicContact CD1-CD2 3.91Å; I1041-L1075 HydrophobicContact CD1-CD2 4.08Å; I1070-L1075 HydrophobicContact CD1-CB 4.12Å; I1070-L1075 HydrophobicContact CD1-CD1 4.35Å; I1070-L1075 HydrophobicContact CG1-CB 4.4Å; A1071-L1075 PolarHBondContact O-N 2.93Å; A1071-L1075 VanDerWaalsContact O-N 3.13Å; N1073-L1075 PolarHBondContact O-N 2.85Å; L1075-Y1079 HydrophobicContact CD1-CD2 4.46Å; L1075-Y1079 HydrophobicContact CD1-CE2 3.96Å; L1075-Y1079 HydrophobicContact CG-CE2 4.36Å; L1075-Y1079 VanDerWaalsContact O-CD2 3.26Å; L1075-Y1079 WeakPolarHBondContact O-CD2 3.44Å; L1075-Y1079 PolarHBondContact O-N 3.31Å |
| 1076 | L | 91.1 | Very high | 91.4 | Very high | 17 Ų | 17 | 26.8 Ų | 26.8 | 9% | 0.089 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.2 | -37.6 | 180 | -70.6 | 172.6 | 0 | 0 | 0 | 112.2 | L1029 A1030 H1033 V1072 N1073 K1080 | L1029-L1076 HydrophobicContact CB-CD2 4.34Å; A1030-L1076 HydrophobicContact CB-CD1 4.09Å; A1030-L1076 HydrophobicContact CB-CD2 4.23Å; H1033-L1076 HydrophobicContact CB-CD1 4.31Å; V1072-L1076 HydrophobicContact CG2-CD1 4.04Å; V1072-L1076 HydrophobicContact CG2-CG 4.37Å; V1072-L1076 WeakPolarHBondContact O-CB 3.25Å; V1072-L1076 VanDerWaalsContact O-CG 3.28Å; V1072-L1076 WeakPolarHBondContact O-CG 3.26Å; V1072-L1076 PolarHBondContact O-N 3.44Å; N1073-L1076 PolarHBondContact O-N 3.4Å; L1076-K1080 WeakPolarHBondContact O-CG 3.28Å; L1076-K1080 PolarHBondContact O-N 3.07Å |
| 1077 | D | 90.7 | Very high | 91.4 | Very high | 39 Ų | 39 | 34 Ų | 34 | 21% | 0.209 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72 | -38.1 | 178.6 | -70 | -14.2 | 0 | 0 | 0 | 111.6 | L958 N1073 I1074 Y1079 K1080 T1081 | L958-D1077 HydrophobicContact CB-CB 4Å; N1073-D1077 WeakPolarHBondContact O-CB 3.3Å; N1073-D1077 VanDerWaalsContact O-CG 3.26Å; N1073-D1077 PolarHBondContact O-N 3.25Å; I1074-D1077 PolarHBondContact O-N 3.35Å; D1077-Y1079 VanDerWaalsContact C-N 3.28Å; D1077-Y1079 PolarHBondContact O-N 2.92Å; D1077-K1080 PolarHBondContact O-N 3.05Å; D1077-K1080 VanDerWaalsContact O-N 3.11Å; D1077-K1080 IonicContact OD1-NZ 3.72Å; D1077-T1081 WeakPolarHBondContact O-CB 3.25Å; D1077-T1081 PolarHBondContact O-N 3.41Å; D1077-T1081 PolarHBondContact O-OG1 2.88Å |
| 1078 | L | 91.9 | Very high | 91.4 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -52 | -46.4 | 172.7 | -178 | 69.2 | 0 | 0 | 0 | 111.6 | L958 V990 V993 I1074 S1082 | L958-L1078 HydrophobicContact CD1-CD1 4.41Å; V990-L1078 HydrophobicContact CG1-CD1 4.22Å; V990-L1078 HydrophobicContact CG2-CD2 4.13Å; V993-L1078 HydrophobicContact CB-CD1 3.99Å; V993-L1078 HydrophobicContact CG1-CD1 3.73Å; V993-L1078 HydrophobicContact CG2-CD1 4.3Å; I1074-L1078 VanDerWaalsContact O-CB 3.29Å; I1074-L1078 WeakPolarHBondContact O-CB 3.32Å; I1074-L1078 PolarHBondContact O-N 2.97Å; L1078-S1082 VanDerWaalsContact O-CB 3.22Å; L1078-S1082 WeakPolarHBondContact O-CB 3.16Å; L1078-S1082 PolarHBondContact O-N 3.01Å; L1078-S1082 PolarHBondContact O-OG 3.3Å |
| 1079 | Y | 91.2 | Very high | 91.7 | Very high | 6 Ų | 6 | 29.3 Ų | 29.3 | 2% | 0.024 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.4 | -44 | 177.4 | -82.9 | -73.5 | 0 | 0 | 0 | 113.1 | K1017 V1018 L1020 R1026 L1075 D1077 S1082 E1083 | K1017-Y1079 HydrophobicContact CG-CE1 4.07Å; V1018-Y1079 WeakPolarHBondContact CB-OH 3.24Å; V1018-Y1079 PolarHBondContact O-OH 3.17Å; L1020-Y1079 HydrophobicContact CD1-CE2 3.85Å; L1020-Y1079 WeakPolarHBondContact CD1-OH 3.35Å; L1020-Y1079 VanDerWaalsContact CG-OH 3.27Å; L1020-Y1079 WeakPolarHBondContact CG-OH 3.14Å; R1026-Y1079 HydrophobicContact CG-CD2 4.38Å; R1026-Y1079 HydrophobicContact CG-CE2 4.24Å; L1075-Y1079 HydrophobicContact CD1-CD2 4.46Å; L1075-Y1079 HydrophobicContact CD1-CE2 3.96Å; L1075-Y1079 HydrophobicContact CG-CE2 4.36Å; L1075-Y1079 VanDerWaalsContact O-CD2 3.26Å; L1075-Y1079 WeakPolarHBondContact O-CD2 3.44Å; L1075-Y1079 PolarHBondContact O-N 3.31Å; D1077-Y1079 VanDerWaalsContact C-N 3.28Å; D1077-Y1079 PolarHBondContact O-N 2.92Å; Y1079-S1082 PolarHBondContact O-N 2.96Å; Y1079-E1083 WeakPolarHBondContact O-CG 3.13Å; Y1079-E1083 PolarHBondContact O-N 3.48Å |
| 1080 | K | 90.2 | Very high | 92 | Very high | 117 Ų | 117 | 29.4 Ų | 29.4 | 51% | 0.509 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -65.5 | -46.5 | -178.9 | -69.9 | 173.4 | -168.3 | 159.2 | 0 | 111.2 | L1076 D1077 S1082 E1083 R1084 | L1076-K1080 WeakPolarHBondContact O-CG 3.28Å; L1076-K1080 PolarHBondContact O-N 3.07Å; D1077-K1080 PolarHBondContact O-N 3.05Å; D1077-K1080 VanDerWaalsContact O-N 3.11Å; D1077-K1080 IonicContact OD1-NZ 3.72Å; K1080-S1082 VanDerWaalsContact C-N 3.34Å; K1080-E1083 PolarHBondContact O-N 3.31Å; K1080-R1084 PolarHBondContact O-N 2.85Å |
| 1081 | T | 92.3 | Very high | 92.1 | Very high | 12 Ų | 12 | 28.9 Ų | 28.9 | 7% | 0.074 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.3 | -41.2 | 177.8 | -59.1 | 0 | 0 | 0 | 0 | 110.7 | L958 T997 D1077 E1083 R1084 I1085 | L958-T1081 VanDerWaalsContact CD2-CB 3.49Å; L958-T1081 HydrophobicContact CD2-CG2 3.76Å; L958-T1081 WeakPolarHBondContact CD2-OG1 3.3Å; T997-T1081 HydrophobicContact CG2-CG2 3.53Å; T997-T1081 VanDerWaalsContact OG1-CG2 3.3Å; T997-T1081 WeakPolarHBondContact OG1-CG2 3.24Å; D1077-T1081 WeakPolarHBondContact O-CB 3.25Å; D1077-T1081 PolarHBondContact O-N 3.41Å; D1077-T1081 PolarHBondContact O-OG1 2.88Å; T1081-E1083 PolarHBondContact O-N 2.63Å; T1081-R1084 WeakPolarHBondContact O-CB 3.33Å; T1081-R1084 PolarHBondContact O-N 3.25Å; T1081-R1084 VanDerWaalsContact O-N 3.13Å; T1081-I1085 HydrophobicContact CG2-CG1 4.04Å; T1081-I1085 VanDerWaalsContact O-CG1 3.3Å; T1081-I1085 WeakPolarHBondContact O-CG1 3.46Å; T1081-I1085 PolarHBondContact O-N 2.74Å |
| 1082 | S | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61 | -44 | 176 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | F1016 L1078 Y1079 K1080 R1084 I1085 I1086 | F1016-S1082 WeakPolarHBondContact CA-OG 3.25Å; F1016-S1082 WeakPolarHBondContact O-CB 3.45Å; F1016-S1082 PolarHBondContact O-OG 2.64Å; L1078-S1082 VanDerWaalsContact O-CB 3.22Å; L1078-S1082 WeakPolarHBondContact O-CB 3.16Å; L1078-S1082 PolarHBondContact O-N 3.01Å; L1078-S1082 PolarHBondContact O-OG 3.3Å; Y1079-S1082 PolarHBondContact O-N 2.96Å; K1080-S1082 VanDerWaalsContact C-N 3.34Å; S1082-R1084 VanDerWaalsContact C-N 3.29Å; S1082-R1084 PolarHBondContact O-N 2.7Å; S1082-I1085 PolarHBondContact O-N 3.15Å; S1082-I1086 WeakPolarHBondContact O-CD1 3.32Å; S1082-I1086 VanDerWaalsContact O-CG1 3.28Å; S1082-I1086 WeakPolarHBondContact O-CG1 3.28Å; S1082-I1086 PolarHBondContact O-N 3.44Å |
| 1083 | E | 91.8 | Very high | 92.1 | Very high | 77 Ų | 77 | 29.7 Ų | 29.7 | 36% | 0.36 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62 | -36.2 | 174.9 | -74.6 | 172.2 | -165.7 | 0 | 0 | 112 | R1026 Y1079 K1080 T1081 R1087 | R1026-E1083 IonicContact CZ-OE1 2.97Å; R1026-E1083 VanDerWaalsContact CZ-OE1 3.3Å; R1026-E1083 IonicContact NH1-OE1 3.27Å; R1026-E1083 PolarHBondContact NH1-OE1 3.37Å; R1026-E1083 IonicContact NH2-OE1 3.61Å; R1026-E1083 PolarHBondContact NH2-OE1 2.87Å; R1026-E1083 IonicContact NH2-OE2 2.65Å; Y1079-E1083 WeakPolarHBondContact O-CG 3.13Å; Y1079-E1083 PolarHBondContact O-N 3.48Å; K1080-E1083 PolarHBondContact O-N 3.31Å; T1081-E1083 PolarHBondContact O-N 2.63Å; E1083-R1087 WeakPolarHBondContact O-CB 3.42Å; E1083-R1087 WeakPolarHBondContact O-CD 3.38Å; E1083-R1087 WeakPolarHBondContact O-CG 3.47Å; E1083-R1087 PolarHBondContact O-N 3.19Å |
| 1084 | R | 92.4 | Very high | 92.1 | Very high | 11 Ų | 11 | 30.1 Ų | 30.1 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.4 | -57.1 | 173.2 | 178.9 | -176.1 | 84.8 | -165 | 10.9 | 111.3 | T997 D1001 K1080 T1081 S1082 I1086 R1087 D1088 W1397 W1446 G1447 | T997-R1084 VanDerWaalsContact CG2-NH2 3.3Å; D1001-R1084 IonicContact OD1-CZ 3.66Å; D1001-R1084 IonicContact OD1-NH2 2.83Å; D1001-R1084 PolarHBondContact OD1-NH2 3.36Å; D1001-R1084 IonicContact OD2-CZ 3Å; D1001-R1084 IonicContact OD2-NH2 3.65Å; D1001-R1084 PolarHBondContact OD2-NH2 2.91Å; K1080-R1084 PolarHBondContact O-N 2.85Å; T1081-R1084 WeakPolarHBondContact O-CB 3.33Å; T1081-R1084 PolarHBondContact O-N 3.25Å; T1081-R1084 VanDerWaalsContact O-N 3.13Å; S1082-R1084 VanDerWaalsContact C-N 3.29Å; S1082-R1084 PolarHBondContact O-N 2.7Å; R1084-I1086 VanDerWaalsContact C-N 3.33Å; R1084-I1086 PolarHBondContact O-N 3.22Å; R1084-R1087 WeakPolarHBondContact O-CB 3.46Å; R1084-R1087 PolarHBondContact O-N 3.18Å; R1084-D1088 PolarHBondContact O-N 3.5Å; R1084-W1397 HydrophobicContact CB-CZ2 4.24Å; R1084-W1397 HydrophobicContact CG-CD2 3.64Å; R1084-W1397 HydrophobicContact CG-CE3 4.1Å; R1084-W1397 HydrophobicContact CG-CG 3.96Å; R1084-W1397 HydrophobicContact CG-CH2 4.24Å; R1084-W1397 HydrophobicContact CG-CZ2 3.86Å; R1084-W1397 HydrophobicContact CG-CZ3 4.37Å; R1084-W1446 PolarHBondContact NH1-O 3.47Å; R1084-G1447 VanDerWaalsContact NH1-N 3.18Å |
| 1085 | I | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63 | -37.7 | -174.1 | -64.1 | -55.7 | 0 | 0 | 0 | 111.9 | A996 T997 H1000 F1016 T1081 S1082 D1088 A1089 F1115 | A996-I1085 HydrophobicContact CB-CG2 4.24Å; T997-I1085 HydrophobicContact CG2-CD1 4.18Å; T997-I1085 HydrophobicContact CG2-CG1 4.34Å; H1000-I1085 HydrophobicContact CB-CD1 3.54Å; H1000-I1085 VanDerWaalsContact CG-CD1 3.42Å; F1016-I1085 HydrophobicContact CE1-CG2 4.19Å; T1081-I1085 HydrophobicContact CG2-CG1 4.04Å; T1081-I1085 VanDerWaalsContact O-CG1 3.3Å; T1081-I1085 WeakPolarHBondContact O-CG1 3.46Å; T1081-I1085 PolarHBondContact O-N 2.74Å; S1082-I1085 PolarHBondContact O-N 3.15Å; I1085-D1088 CarbonylContact O-C 3.59Å; I1085-A1089 VanDerWaalsContact O-CA 3.3Å; I1085-A1089 WeakPolarHBondContact O-CA 3.46Å; I1085-A1089 WeakPolarHBondContact O-CB 3.46Å; I1085-A1089 PolarHBondContact O-N 2.84Å; I1085-F1115 HydrophobicContact CG2-CD2 4.17Å; I1085-F1115 HydrophobicContact CG2-CE2 3.66Å |
| 1086 | I | 94.3 | Very high | 92.5 | Very high | 19 Ų | 19 | 28.8 Ų | 28.8 | 10% | 0.097 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66 | -42.4 | 173.6 | -66.6 | 162.6 | 0 | 0 | 0 | 111.1 | F1016 S1082 R1084 D1088 P1111 D1114 F1115 R1118 | F1016-I1086 HydrophobicContact CB-CD1 3.54Å; F1016-I1086 HydrophobicContact CB-CG1 4.35Å; F1016-I1086 HydrophobicContact CD1-CD1 4.16Å; F1016-I1086 HydrophobicContact CD1-CG1 4.08Å; F1016-I1086 HydrophobicContact CD2-CD1 4.21Å; F1016-I1086 HydrophobicContact CD2-CG1 4.25Å; F1016-I1086 HydrophobicContact CE1-CG1 4.44Å; F1016-I1086 HydrophobicContact CG-CD1 3.74Å; F1016-I1086 HydrophobicContact CG-CG1 3.99Å; S1082-I1086 WeakPolarHBondContact O-CD1 3.32Å; S1082-I1086 VanDerWaalsContact O-CG1 3.28Å; S1082-I1086 WeakPolarHBondContact O-CG1 3.28Å; S1082-I1086 PolarHBondContact O-N 3.44Å; R1084-I1086 VanDerWaalsContact C-N 3.33Å; R1084-I1086 PolarHBondContact O-N 3.22Å; I1086-D1088 PolarHBondContact O-N 2.81Å; I1086-P1111 HydrophobicContact CD1-CB 3.58Å; I1086-D1114 HydrophobicContact CG2-CB 3.88Å; I1086-F1115 HydrophobicContact CG1-CB 4.2Å; I1086-R1118 WeakPolarHBondContact O-CD 3.17Å |
| 1087 | R | 91.3 | Very high | 92.8 | Very high | 170 Ų | 170 | 28 Ų | 28 | 64% | 0.642 | 13% | 0.134 | S | C | * | . | H | α-helix | trans | -62.7 | -36.9 | -178.2 | -79.6 | 175.6 | -175.4 | -176.5 | 3.6 | 111.9 | E1083 R1084 R1118 | E1083-R1087 WeakPolarHBondContact O-CB 3.42Å; E1083-R1087 WeakPolarHBondContact O-CD 3.38Å; E1083-R1087 WeakPolarHBondContact O-CG 3.47Å; E1083-R1087 PolarHBondContact O-N 3.19Å; R1084-R1087 WeakPolarHBondContact O-CB 3.46Å; R1084-R1087 PolarHBondContact O-N 3.18Å; R1087-R1118 PolarHBondContact O-NH1 3.26Å |
| 1088 | D | 92.4 | Very high | 93.1 | Very high | 38 Ų | 38 | 26.1 Ų | 26.1 | 20% | 0.203 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 21.7 | -172.6 | -149 | 21.7 | 0 | 0 | 0 | 113.8 | H1000 R1084 I1085 I1086 A1090 A1091 | H1000-D1088 IonicContact CE1-OD2 3.37Å; H1000-D1088 IonicContact NE2-OD2 2.9Å; H1000-D1088 PolarHBondContact NE2-OD2 3.23Å; R1084-D1088 PolarHBondContact O-N 3.5Å; I1085-D1088 CarbonylContact O-C 3.59Å; I1086-D1088 PolarHBondContact O-N 2.81Å; D1088-A1090 PolarHBondContact O-N 2.8Å; D1088-A1091 WeakPolarHBondContact O-CB 3.18Å; D1088-A1091 PolarHBondContact O-N 3.28Å |
| 1089 | A | 93.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -59.3 | -16.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1085 A1091 I1092 F1115 R1118 L1119 | I1085-A1089 VanDerWaalsContact O-CA 3.3Å; I1085-A1089 WeakPolarHBondContact O-CA 3.46Å; I1085-A1089 WeakPolarHBondContact O-CB 3.46Å; I1085-A1089 PolarHBondContact O-N 2.84Å; A1089-A1091 PolarHBondContact O-N 3.05Å; A1089-I1092 PolarHBondContact O-N 2.95Å; A1089-F1115 HydrophobicContact CB-CD2 3.63Å; A1089-F1115 HydrophobicContact CB-CE2 3.86Å; A1089-F1115 HydrophobicContact CB-CG 4.45Å; A1089-R1118 HydrophobicContact CB-CB 3.79Å; A1089-L1119 HydrophobicContact CB-CD2 4.37Å |
| 1090 | A | 92.6 | Very high | 93.6 | Very high | 23 Ų | 23 | 25.6 Ų | 25.6 | 19% | 0.19 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -63.7 | -18.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1088 I1092 R1118 R1120 P1174 | D1088-A1090 PolarHBondContact O-N 2.8Å; A1090-I1092 PolarHBondContact O-N 3.02Å; A1090-R1118 WeakPolarHBondContact CA-O 3.43Å; A1090-R1118 PolarHBondContact N-O 3.17Å; A1090-R1120 HydrophobicContact CB-CG 4.05Å; A1090-R1120 WeakPolarHBondContact O-CB 3.36Å; A1090-R1120 WeakPolarHBondContact O-CD 3.38Å; A1090-P1174 HydrophobicContact CB-CB 4.37Å; A1090-P1174 HydrophobicContact CB-CG 4.03Å |
| 1091 | A | 91.5 | Very high | 93.8 | Very high | 19 Ų | 19 | 20 Ų | 20 | 16% | 0.157 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -70.2 | -16.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1088 A1089 | D1088-A1091 WeakPolarHBondContact O-CB 3.18Å; D1088-A1091 PolarHBondContact O-N 3.28Å; A1089-A1091 PolarHBondContact O-N 3.05Å |
| 1092 | I | 92.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | trans | -91.8 | 115.8 | 179.7 | -58.3 | 174.7 | 0 | 0 | 0 | 110 | I999 H1000 A1089 A1090 F1115 L1119 R1120 | I999-I1092 HydrophobicContact CG2-CB 4.4Å; I999-I1092 HydrophobicContact CG2-CG1 4.12Å; I999-I1092 HydrophobicContact CG2-CG2 3.71Å; H1000-I1092 HydrophobicContact CB-CD1 4.26Å; H1000-I1092 HydrophobicContact CB-CG1 4.18Å; A1089-I1092 PolarHBondContact O-N 2.95Å; A1090-I1092 PolarHBondContact O-N 3.02Å; I1092-F1115 HydrophobicContact CD1-CE2 3.75Å; I1092-F1115 HydrophobicContact CD1-CZ 3.73Å; I1092-L1119 HydrophobicContact CB-CD2 3.63Å; I1092-L1119 HydrophobicContact CD1-CD2 4.25Å; I1092-L1119 HydrophobicContact CG1-CD2 4.49Å; I1092-L1119 HydrophobicContact CG2-CD2 3.7Å; I1092-R1120 PolarHBondContact O-N 3.19Å | ||
| 1093 | T | 92.7 | Very high | 93.5 | Very high | 15 Ų | 15 | 24.4 Ų | 24.4 | 9% | 0.092 | 13% | 0.125 | C | C | . | . | trans | -115 | -10.4 | -174.6 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | R1120 S1121 F1164 Y1166 | T1093-R1120 HydrophobicContact CG2-CB 4.36Å; T1093-S1121 VanDerWaalsContact O-CA 3.25Å; T1093-S1121 WeakPolarHBondContact O-CA 3.27Å; T1093-S1121 VanDerWaalsContact O-CB 3.28Å; T1093-S1121 WeakPolarHBondContact O-CB 3.26Å; T1093-S1121 PolarHBondContact O-OG 2.81Å; T1093-S1121 VanDerWaalsContact O-OG 3.13Å; T1093-F1164 HydrophobicContact CG2-CB 4.32Å; T1093-F1164 HydrophobicContact CG2-CD1 3.72Å; T1093-F1164 HydrophobicContact CG2-CD2 3.72Å; T1093-F1164 HydrophobicContact CG2-CE1 3.87Å; T1093-F1164 HydrophobicContact CG2-CE2 3.87Å; T1093-F1164 HydrophobicContact CG2-CG 3.64Å; T1093-F1164 HydrophobicContact CG2-CZ 3.94Å; T1093-Y1166 HydrophobicContact CG2-CE1 4.21Å; T1093-Y1166 VanDerWaalsContact CG2-OH 3.32Å; T1093-Y1166 WeakPolarHBondContact CG2-OH 3.25Å; T1093-Y1166 PolarHBondContact OG1-OH 2.97Å | ||
| 1094 | L | 92.2 | Very high | 93.5 | Very high | 23 Ų | 23 | 21.2 Ų | 21.2 | 12% | 0.12 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -66.4 | 145.5 | -179.2 | -66.7 | 175.7 | 0 | 0 | 0 | 112.8 | I999 I1006 T1096 S1121 | I999-L1094 HydrophobicContact CD1-CD1 3.73Å; I999-L1094 HydrophobicContact CG1-CD1 4.31Å; I999-L1094 HydrophobicContact CG2-CD1 3.68Å; I999-L1094 HydrophobicContact CG2-CG 4.38Å; I1006-L1094 HydrophobicContact CD1-CD1 4.21Å; I1006-L1094 HydrophobicContact CG1-CD1 3.59Å; I1006-L1094 WeakPolarHBondContact O-CD2 3.25Å; L1094-T1096 PolarHBondContact O-N 2.69Å; L1094-T1096 VanDerWaalsContact O-N 3.15Å; L1094-T1096 PolarHBondContact O-OG1 3.28Å; L1094-S1121 WeakPolarHBondContact O-CB 3.35Å; L1094-S1121 PolarHBondContact O-OG 3.05Å |
| 1095 | P | 94.4 | Very high | 93.4 | Very high | 10 Ų | 10 | 25.4 Ų | 25.4 | 7% | 0.065 | 13% | 0.126 | C | C | . | . | trans | -49.3 | 121.4 | 172.3 | -28.1 | 35.9 | 0 | 0 | 0 | 112 | G1008 L1009 S1121 L1123 F1152 L1156 | G1008-P1095 WeakPolarHBondContact CA-O 3.34Å; L1009-P1095 PolarHBondContact N-O 3.41Å; P1095-S1121 WeakPolarHBondContact CA-OG 3.29Å; P1095-L1123 CarbonylContact C-O 3.53Å; P1095-L1123 WeakPolarHBondContact CA-O 3.3Å; P1095-L1123 HydrophobicContact CB-CB 4.18Å; P1095-L1123 HydrophobicContact CB-CD2 4.11Å; P1095-L1123 HydrophobicContact CB-CG 4.33Å; P1095-L1123 HydrophobicContact CG-CB 4.42Å; P1095-L1123 HydrophobicContact CG-CD2 4.45Å; P1095-F1152 HydrophobicContact CB-CZ 4.07Å; P1095-L1156 HydrophobicContact CB-CD2 3.57Å; P1095-L1156 HydrophobicContact CG-CD2 4.06Å | ||
| 1096 | T | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 123.7 | -170 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | L1009 L1011 L1094 L1119 L1123 K1124 E1125 | L1009-T1096 HydrophobicContact CB-CG2 4.47Å; L1009-T1096 HydrophobicContact CD2-CG2 4.12Å; L1009-T1096 HydrophobicContact CG-CG2 4.42Å; L1009-T1096 CarbonylContact O-C 3.11Å; L1009-T1096 WeakPolarHBondContact O-CA 3.31Å; L1011-T1096 HydrophobicContact CD1-CG2 4.5Å; L1094-T1096 PolarHBondContact O-N 2.69Å; L1094-T1096 VanDerWaalsContact O-N 3.15Å; L1094-T1096 PolarHBondContact O-OG1 3.28Å; T1096-L1119 HydrophobicContact CG2-CD1 3.9Å; T1096-L1123 PolarHBondContact N-O 3.29Å; T1096-K1124 CarbonylContact O-C 3.57Å; T1096-K1124 WeakPolarHBondContact O-CA 3.35Å; T1096-E1125 PolarHBondContact O-N 2.99Å |
| 1097 | Q | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 130 | 167.8 | -176.1 | 178.1 | 77.3 | 0 | 0 | 110.3 | L1009 V1010 L1011 L1099 E1125 H1127 K1148 F1152 | L1009-Q1097 PolarHBondContact O-N 2.74Å; V1010-Q1097 WeakPolarHBondContact CA-O 3.45Å; V1010-Q1097 HydrophobicContact CG2-CB 4.41Å; L1011-Q1097 PolarHBondContact N-O 2.99Å; Q1097-L1099 HydrophobicContact CG-CD2 4.06Å; Q1097-E1125 CarbonylContact C-O 3.53Å; Q1097-E1125 WeakPolarHBondContact CA-O 3.47Å; Q1097-E1125 HydrophobicContact CB-CB 4.46Å; Q1097-E1125 HydrophobicContact CG-CB 4.13Å; Q1097-E1125 PolarHBondContact NE2-OE2 3.15Å; Q1097-H1127 PolarHBondContact NE2-NE2 3.45Å; Q1097-K1148 PolarHBondContact NE2-O 3.12Å; Q1097-F1152 HydrophobicContact CB-CD1 3.74Å; Q1097-F1152 HydrophobicContact CB-CD2 4.26Å; Q1097-F1152 HydrophobicContact CB-CE1 3.82Å; Q1097-F1152 HydrophobicContact CB-CE2 4.34Å; Q1097-F1152 HydrophobicContact CB-CG 3.97Å; Q1097-F1152 HydrophobicContact CB-CZ 4.14Å; Q1097-F1152 VanDerWaalsContact NE2-CB 3.3Å |
| 1098 | L | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 118.3 | 177 | -173.2 | 67 | 0 | 0 | 0 | 110.6 | L1011 P1014 I1100 Q1112 Y1116 E1125 L1126 H1127 | L1011-L1098 HydrophobicContact CB-CD1 3.74Å; L1011-L1098 WeakPolarHBondContact O-CA 3.42Å; P1014-L1098 HydrophobicContact CG-CD1 3.56Å; L1098-I1100 HydrophobicContact CD2-CD1 4.02Å; L1098-I1100 HydrophobicContact CD2-CG1 4.15Å; L1098-I1100 HydrophobicContact CG-CD1 4.45Å; L1098-I1100 HydrophobicContact CG-CG1 4.03Å; L1098-Q1112 HydrophobicContact CD2-CB 4.35Å; L1098-Q1112 VanDerWaalsContact CD2-O 3.23Å; L1098-Q1112 WeakPolarHBondContact CD2-O 3.42Å; L1098-Y1116 HydrophobicContact CB-CD2 4.37Å; L1098-E1125 PolarHBondContact N-O 3.23Å; L1098-L1126 HydrophobicContact CB-CD1 4.06Å; L1098-L1126 HydrophobicContact CD2-CD1 3.71Å; L1098-L1126 HydrophobicContact CG-CD1 4.05Å; L1098-L1126 WeakPolarHBondContact O-CA 2.87Å; L1098-H1127 PolarHBondContact O-N 3.4Å |
| 1099 | L | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 117.3 | 176.2 | -51.9 | 177.8 | 0 | 0 | 0 | 109.1 | V1010 L1011 A1012 S1013 Q1097 H1127 L1129 T1136 L1137 A1145 K1148 M1149 | V1010-L1099 HydrophobicContact CG1-CD1 4.31Å; L1011-L1099 PolarHBondContact O-N 2.99Å; A1012-L1099 HydrophobicContact CB-CB 4.39Å; S1013-L1099 PolarHBondContact N-O 3.01Å; Q1097-L1099 HydrophobicContact CG-CD2 4.06Å; L1099-H1127 HydrophobicContact CD2-CB 3.8Å; L1099-L1129 HydrophobicContact CB-CD1 4.29Å; L1099-T1136 HydrophobicContact CB-CG2 4.09Å; L1099-L1137 HydrophobicContact CD1-CD2 4.05Å; L1099-A1145 HydrophobicContact CD1-CB 4.2Å; L1099-K1148 HydrophobicContact CD2-CB 4.34Å; L1099-M1149 HydrophobicContact CD1-CG 3.75Å; L1099-M1149 HydrophobicContact CD1-SD 3.95Å |
| 1100 | I | 96.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124 | -177.5 | -60.1 | -171.5 | 0 | 0 | 0 | 109.8 | L1098 R1109 Q1112 I1113 L1126 H1127 L1128 L1129 | L1098-I1100 HydrophobicContact CD2-CD1 4.02Å; L1098-I1100 HydrophobicContact CD2-CG1 4.15Å; L1098-I1100 HydrophobicContact CG-CD1 4.45Å; L1098-I1100 HydrophobicContact CG-CG1 4.03Å; I1100-R1109 HydrophobicContact CG2-CG 3.9Å; I1100-Q1112 HydrophobicContact CD1-CB 3.61Å; I1100-Q1112 HydrophobicContact CG1-CB 4.16Å; I1100-I1113 HydrophobicContact CD1-CG1 3.83Å; I1100-L1126 HydrophobicContact CD1-CD1 3.58Å; I1100-L1126 HydrophobicContact CG1-CD1 3.99Å; I1100-H1127 PolarHBondContact N-O 3.35Å; I1100-L1128 HydrophobicContact CB-CD1 4.02Å; I1100-L1128 HydrophobicContact CG2-CD1 3.65Å; I1100-L1129 PolarHBondContact O-N 3.28Å |
| 1101 | S | 94.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 126.9 | 170.7 | -72.7 | 0 | 0 | 0 | 0 | 112.3 | S1013 F1132 Y1133 T1136 | S1013-S1101 WeakPolarHBondContact OG-CB 3.37Å; S1013-S1101 PolarHBondContact OG-N 3.44Å; S1013-S1101 PolarHBondContact OG-OG 3.01Å; S1013-S1101 VanDerWaalsContact OG-OG 3.11Å; S1101-F1132 WeakPolarHBondContact CB-O 3.45Å; S1101-Y1133 WeakPolarHBondContact CB-O 3.26Å; S1101-Y1133 PolarHBondContact OG-O 3.14Å; S1101-T1136 PolarHBondContact OG-OG1 3.47Å |
| 1102 | G | 89.5 | Confident | 93.5 | Very high | 15 Ų | 15 | 28 Ų | 28 | 16% | 0.155 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -43.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1129 | G1102-L1129 WeakPolarHBondContact CA-O 3.43Å; G1102-L1129 PolarHBondContact N-O 2.89Å |
| 1103 | D | 91 | Very high | 93.6 | Very high | 89 Ų | 89 | 29.6 Ų | 29.6 | 48% | 0.476 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 41.4 | -173.9 | -65.4 | -37 | 0 | 0 | 0 | 111.6 | Y1105 G1131 F1132 Y1133 | D1103-Y1105 WeakPolarHBondContact O-CD2 3.2Å; D1103-Y1105 PolarHBondContact O-N 3.29Å; D1103-G1131 WeakPolarHBondContact OD2-CA 3.31Å; D1103-G1131 PolarHBondContact OD2-N 3.38Å; D1103-F1132 CarbonylContact C-O 3.4Å; D1103-F1132 PolarHBondContact N-O 3.34Å; D1103-Y1133 HydrophobicContact CB-CD1 4.28Å; D1103-Y1133 HydrophobicContact CB-CE1 4.3Å; D1103-Y1133 WeakPolarHBondContact O-CD1 3.23Å |
| 1104 | D | 91.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 31 Ų | 31 | 5% | 0.048 | 15% | 0.148 | C | C | . | . | trans | -68.1 | 118.4 | -177 | -165.7 | -42.4 | 0 | 0 | 0 | 112.4 | K1019 V1106 V1107 H1134 | K1019-D1104 PolarHBondContact NZ-O 2.93Å; D1104-V1106 WeakPolarHBondContact OD1-CA 3.39Å; D1104-V1106 WeakPolarHBondContact OD1-CB 3.36Å; D1104-V1106 PolarHBondContact OD1-N 2.85Å; D1104-V1107 HydrophobicContact CB-CG2 4.5Å; D1104-V1107 PolarHBondContact OD1-N 3.37Å; D1104-V1107 WeakPolarHBondContact OD2-CG2 3.49Å; D1104-H1134 IonicContact OD1-CG 2.72Å; D1104-H1134 IonicContact OD1-ND1 2.69Å; D1104-H1134 PolarHBondContact OD1-ND1 3.03Å; D1104-H1134 WeakPolarHBondContact OD2-CA 3.07Å; D1104-H1134 IonicContact OD2-CE1 2.77Å; D1104-H1134 IonicContact OD2-CG 3.13Å; D1104-H1134 IonicContact OD2-ND1 3.66Å; D1104-H1134 PolarHBondContact OD2-ND1 3.15Å | ||
| 1105 | Y | 90.3 | Very high | 93.8 | Very high | 99 Ų | 99 | 29.9 Ų | 29.9 | 39% | 0.388 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -83.9 | -11.7 | 176.8 | -72.6 | -83.4 | 0 | 0 | 0 | 114.5 | K1019 Y1021 Y1049 D1103 Y1133 | K1019-Y1105 WeakPolarHBondContact CD-O 3.32Å; Y1021-Y1105 PolarHBondContact OH-O 2.84Å; Y1049-Y1105 HydrophobicContact CD1-CG 4.36Å; D1103-Y1105 WeakPolarHBondContact O-CD2 3.2Å; D1103-Y1105 PolarHBondContact O-N 3.29Å; Y1105-Y1133 HydrophobicContact CD2-CD1 4.08Å; Y1105-Y1133 HydrophobicContact CD2-CE1 4.05Å; Y1105-Y1133 HydrophobicContact CD2-CE2 4.43Å; Y1105-Y1133 HydrophobicContact CD2-CG 4.35Å; Y1105-Y1133 AromaticContact CE2-CD1 3.93Å; Y1105-Y1133 HydrophobicContact CE2-CD1 3.93Å; Y1105-Y1133 AromaticContact CE2-CE1 3.44Å; Y1105-Y1133 HydrophobicContact CE2-CE1 3.44Å; Y1105-Y1133 VanDerWaalsContact CE2-CE1 3.44Å; Y1105-Y1133 HydrophobicContact CE2-CE2 4.15Å; Y1105-Y1133 AromaticContact CE2-CZ 3.56Å |
| 1106 | V | 90.1 | Very high | 93.9 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -100.5 | -42.2 | -171.9 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | V1018 K1019 V1045 L1050 D1104 H1134 | V1018-V1106 CarbonylContact C-O 3.44Å; V1018-V1106 WeakPolarHBondContact CA-O 3.33Å; V1018-V1106 HydrophobicContact CG1-CG1 4.38Å; V1018-V1106 WeakPolarHBondContact CG1-O 3.27Å; K1019-V1106 WeakPolarHBondContact CB-O 3.49Å; K1019-V1106 PolarHBondContact N-O 2.92Å; V1045-V1106 HydrophobicContact CG1-CG2 4.27Å; V1045-V1106 HydrophobicContact CG2-CG1 4.1Å; V1045-V1106 HydrophobicContact CG2-CG2 4.21Å; L1050-V1106 HydrophobicContact CD2-CG2 4.19Å; D1104-V1106 WeakPolarHBondContact OD1-CA 3.39Å; D1104-V1106 WeakPolarHBondContact OD1-CB 3.36Å; D1104-V1106 PolarHBondContact OD1-N 2.85Å; V1106-H1134 HydrophobicContact CB-CB 3.97Å; V1106-H1134 HydrophobicContact CG2-CB 3.64Å |
| 1107 | V | 92.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -124.2 | 155.1 | -174.7 | -56.9 | 0 | 0 | 0 | 0 | 112.5 | A1015 K1017 V1018 K1019 D1104 | A1015-V1107 HydrophobicContact CB-CG1 3.91Å; K1017-V1107 CarbonylContact O-C 3.59Å; K1017-V1107 WeakPolarHBondContact O-CA 3.4Å; V1018-V1107 HydrophobicContact CG2-CG1 4.31Å; K1019-V1107 VanDerWaalsContact CE-O 3.29Å; K1019-V1107 WeakPolarHBondContact CE-O 3.27Å; D1104-V1107 HydrophobicContact CB-CG2 4.5Å; D1104-V1107 PolarHBondContact OD1-N 3.37Å; D1104-V1107 WeakPolarHBondContact OD2-CG2 3.49Å |
| 1108 | H | 92 | Very high | 93.7 | Very high | 71 Ų | 71 | 43.4 Ų | 43.4 | 33% | 0.329 | 20% | 0.198 | S | C | . | . | trans | -79 | 140.7 | 174 | -69 | -89.3 | 0 | 0 | 0 | 110.9 | K1017 P1111 Q1112 | K1017-H1108 HydrophobicContact CB-CB 4.36Å; K1017-H1108 HydrophobicContact CD-CB 4.38Å; K1017-H1108 PolarHBondContact O-CD2 3.03Å; K1017-H1108 PolarHBondContact O-N 3.09Å; H1108-P1111 HydrophobicContact CB-CG 4.22Å; H1108-Q1112 PolarHBondContact O-NE2 3.27Å; H1108-Q1112 VanDerWaalsContact O-NE2 3.15Å | ||
| 1109 | R | 92.8 | Very high | 93.5 | Very high | 125 Ų | 125 | 43.6 Ų | 43.6 | 47% | 0.472 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -71.5 | -46.9 | 178.7 | -177 | 174.9 | 69.8 | -154.8 | 3.5 | 113.6 | I1100 Q1112 I1113 | I1100-R1109 HydrophobicContact CG2-CG 3.9Å; R1109-Q1112 WeakPolarHBondContact O-CB 3.47Å; R1109-Q1112 PolarHBondContact O-N 3.2Å; R1109-I1113 HydrophobicContact CG-CD1 3.87Å; R1109-I1113 HydrophobicContact CG-CG1 4.36Å; R1109-I1113 PolarHBondContact O-N 3.42Å |
| 1110 | Q | 94 | Very high | 93.2 | Very high | 103 Ų | 103 | 47.1 Ų | 47.1 | 48% | 0.481 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -53.3 | -45.6 | -171.7 | -170.1 | 62 | 42.7 | 0 | 0 | 113.9 | Q1112 I1113 D1114 | Q1110-Q1112 PolarHBondContact O-N 3.44Å; Q1110-I1113 WeakPolarHBondContact O-CB 3.41Å; Q1110-I1113 PolarHBondContact O-N 3.39Å; Q1110-D1114 PolarHBondContact NE2-OD1 3.19Å; Q1110-D1114 PolarHBondContact O-N 2.95Å |
| 1111 | P | 94 | Very high | 92.8 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.6 | -28.1 | 179.9 | -25.5 | 38.1 | 0 | 0 | 0 | 114.5 | F1016 K1017 I1086 H1108 F1115 | F1016-P1111 HydrophobicContact CB-CB 4.08Å; K1017-P1111 HydrophobicContact CB-CB 4.38Å; K1017-P1111 HydrophobicContact CB-CG 3.81Å; K1017-P1111 HydrophobicContact CD-CG 4.02Å; I1086-P1111 HydrophobicContact CD1-CB 3.58Å; H1108-P1111 HydrophobicContact CB-CG 4.22Å; P1111-F1115 WeakPolarHBondContact O-CB 3.47Å; P1111-F1115 PolarHBondContact O-N 3.12Å; P1111-F1115 VanDerWaalsContact O-N 3.08Å |
| 1112 | Q | 95.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.4 | -39.1 | 175.8 | -59.8 | 172.8 | 54.9 | 0 | 0 | 111.2 | F1016 L1098 I1100 H1108 R1109 Q1110 F1115 Y1116 | F1016-Q1112 HydrophobicContact CD2-CG 4.05Å; L1098-Q1112 HydrophobicContact CD2-CB 4.35Å; L1098-Q1112 VanDerWaalsContact CD2-O 3.23Å; L1098-Q1112 WeakPolarHBondContact CD2-O 3.42Å; I1100-Q1112 HydrophobicContact CD1-CB 3.61Å; I1100-Q1112 HydrophobicContact CG1-CB 4.16Å; H1108-Q1112 PolarHBondContact O-NE2 3.27Å; H1108-Q1112 VanDerWaalsContact O-NE2 3.15Å; R1109-Q1112 WeakPolarHBondContact O-CB 3.47Å; R1109-Q1112 PolarHBondContact O-N 3.2Å; Q1110-Q1112 PolarHBondContact O-N 3.44Å; Q1112-F1115 WeakPolarHBondContact O-CB 3.42Å; Q1112-F1115 PolarHBondContact O-N 3.29Å; Q1112-Y1116 PolarHBondContact O-N 3.12Å; Q1112-Y1116 VanDerWaalsContact O-N 3.12Å |
| 1113 | I | 94.6 | Very high | 92.2 | Very high | 34 Ų | 34 | 53.2 Ų | 53.2 | 17% | 0.174 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.4 | -44.6 | 173.8 | -63.9 | 174.4 | 0 | 0 | 0 | 110.1 | I1100 R1109 Q1110 F1115 Y1116 Q1117 | I1100-I1113 HydrophobicContact CD1-CG1 3.83Å; R1109-I1113 HydrophobicContact CG-CD1 3.87Å; R1109-I1113 HydrophobicContact CG-CG1 4.36Å; R1109-I1113 PolarHBondContact O-N 3.42Å; Q1110-I1113 WeakPolarHBondContact O-CB 3.41Å; Q1110-I1113 PolarHBondContact O-N 3.39Å; I1113-F1115 VanDerWaalsContact C-N 3.29Å; I1113-F1115 PolarHBondContact O-N 3.42Å; I1113-Y1116 PolarHBondContact O-N 3.29Å; I1113-Q1117 HydrophobicContact CG2-CG 4.26Å; I1113-Q1117 WeakPolarHBondContact O-CG 3.49Å; I1113-Q1117 PolarHBondContact O-N 3.47Å |
| 1114 | D | 94.9 | Very high | 92.2 | Very high | 44 Ų | 44 | 51.7 Ų | 51.7 | 24% | 0.235 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.5 | -41.2 | 178.1 | -61.7 | -21.3 | 0 | 0 | 0 | 111.2 | I1086 Q1110 R1118 | I1086-D1114 HydrophobicContact CG2-CB 3.88Å; Q1110-D1114 PolarHBondContact NE2-OD1 3.19Å; Q1110-D1114 PolarHBondContact O-N 2.95Å; D1114-R1118 WeakPolarHBondContact O-CB 3.39Å; D1114-R1118 WeakPolarHBondContact O-CD 3.27Å; D1114-R1118 VanDerWaalsContact O-CG 3.22Å; D1114-R1118 WeakPolarHBondContact O-CG 3.32Å; D1114-R1118 PolarHBondContact O-N 3.44Å |
| 1115 | F | 95.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.5 | -54.1 | 173.5 | 177.2 | -103 | 0 | 0 | 0 | 111.5 | A996 L1011 F1016 I1085 I1086 A1089 I1092 P1111 Q1112 I1113 Q1117 R1118 L1119 | A996-F1115 HydrophobicContact CB-CE2 4.44Å; A996-F1115 HydrophobicContact CB-CZ 4.09Å; L1011-F1115 HydrophobicContact CD1-CE1 3.84Å; L1011-F1115 HydrophobicContact CD1-CZ 4.28Å; F1016-F1115 HydrophobicContact CD2-CB 4.29Å; F1016-F1115 HydrophobicContact CE1-CD2 4.31Å; F1016-F1115 HydrophobicContact CE2-CB 3.63Å; F1016-F1115 AromaticContact CE2-CD1 3.78Å; F1016-F1115 HydrophobicContact CE2-CD1 3.78Å; F1016-F1115 HydrophobicContact CE2-CD2 4Å; F1016-F1115 HydrophobicContact CE2-CE1 4.43Å; F1016-F1115 AromaticContact CE2-CG 3.52Å; F1016-F1115 HydrophobicContact CE2-CG 3.52Å; F1016-F1115 HydrophobicContact CZ-CB 4.12Å; F1016-F1115 AromaticContact CZ-CD1 3.86Å; F1016-F1115 HydrophobicContact CZ-CD1 3.86Å; F1016-F1115 AromaticContact CZ-CD2 3.56Å; F1016-F1115 HydrophobicContact CZ-CD2 3.56Å; F1016-F1115 HydrophobicContact CZ-CE1 4.12Å; F1016-F1115 AromaticContact CZ-CE2 3.86Å; F1016-F1115 HydrophobicContact CZ-CE2 3.86Å; F1016-F1115 AromaticContact CZ-CG 3.56Å; F1016-F1115 HydrophobicContact CZ-CG 3.56Å; F1016-F1115 HydrophobicContact CZ-CZ 4.12Å; I1085-F1115 HydrophobicContact CG2-CD2 4.17Å; I1085-F1115 HydrophobicContact CG2-CE2 3.66Å; I1086-F1115 HydrophobicContact CG1-CB 4.2Å; A1089-F1115 HydrophobicContact CB-CD2 3.63Å; A1089-F1115 HydrophobicContact CB-CE2 3.86Å; A1089-F1115 HydrophobicContact CB-CG 4.45Å; I1092-F1115 HydrophobicContact CD1-CE2 3.75Å; I1092-F1115 HydrophobicContact CD1-CZ 3.73Å; P1111-F1115 WeakPolarHBondContact O-CB 3.47Å; P1111-F1115 PolarHBondContact O-N 3.12Å; P1111-F1115 VanDerWaalsContact O-N 3.08Å; Q1112-F1115 WeakPolarHBondContact O-CB 3.42Å; Q1112-F1115 PolarHBondContact O-N 3.29Å; I1113-F1115 VanDerWaalsContact C-N 3.29Å; I1113-F1115 PolarHBondContact O-N 3.42Å; F1115-Q1117 PolarHBondContact O-N 2.9Å; F1115-R1118 PolarHBondContact O-N 2.79Å; F1115-R1118 VanDerWaalsContact O-N 3.16Å; F1115-L1119 HydrophobicContact CD1-CD1 4.37Å; F1115-L1119 HydrophobicContact CD1-CG 4.47Å; F1115-L1119 HydrophobicContact CE1-CD1 4Å; F1115-L1119 HydrophobicContact CE1-CD2 3.95Å; F1115-L1119 HydrophobicContact CE1-CG 4.21Å; F1115-L1119 HydrophobicContact CE2-CD2 4.19Å; F1115-L1119 HydrophobicContact CZ-CD2 3.74Å; F1115-L1119 HydrophobicContact CZ-CG 4.46Å; F1115-L1119 PolarHBondContact O-N 3.35Å |
| 1116 | Y | 95 | Very high | 92.6 | Very high | 46 Ų | 46 | 51.1 Ų | 51.1 | 18% | 0.18 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.8 | -44.2 | -179 | 173.8 | -97.1 | 0 | 0 | 0 | 113.6 | L1098 Q1112 I1113 R1118 L1119 K1124 E1125 L1126 | L1098-Y1116 HydrophobicContact CB-CD2 4.37Å; Q1112-Y1116 PolarHBondContact O-N 3.12Å; Q1112-Y1116 VanDerWaalsContact O-N 3.12Å; I1113-Y1116 PolarHBondContact O-N 3.29Å; Y1116-R1118 PolarHBondContact O-N 3.29Å; Y1116-L1119 HydrophobicContact CD2-CD1 4.38Å; Y1116-L1119 PolarHBondContact O-N 2.94Å; Y1116-K1124 HydrophobicContact CD2-CD 4.41Å; Y1116-K1124 HydrophobicContact CE2-CB 3.82Å; Y1116-K1124 HydrophobicContact CE2-CD 3.92Å; Y1116-K1124 HydrophobicContact CE2-CG 3.78Å; Y1116-K1124 PolarHBondContact O-NZ 3.48Å; Y1116-K1124 PolarHBondContact OH-O 3.33Å; Y1116-E1125 WeakPolarHBondContact CE2-O 3.5Å; Y1116-L1126 HydrophobicContact CD1-CB 3.91Å; Y1116-L1126 HydrophobicContact CD1-CD1 4.35Å; Y1116-L1126 HydrophobicContact CD1-CD2 3.98Å; Y1116-L1126 HydrophobicContact CD1-CG 4.32Å; Y1116-L1126 HydrophobicContact CD2-CB 3.94Å; Y1116-L1126 HydrophobicContact CD2-CD1 4.29Å; Y1116-L1126 HydrophobicContact CE1-CB 3.68Å; Y1116-L1126 HydrophobicContact CE1-CD2 4.24Å; Y1116-L1126 HydrophobicContact CE1-CG 4.49Å; Y1116-L1126 HydrophobicContact CE2-CB 3.71Å; Y1116-L1126 HydrophobicContact CG-CB 4.02Å; Y1116-L1126 HydrophobicContact CG-CD1 4Å; Y1116-L1126 HydrophobicContact CG-CD2 4.47Å; Y1116-L1126 HydrophobicContact CG-CG 4.41Å |
| 1117 | Q | 94.5 | Very high | 92.9 | Very high | 128 Ų | 128 | 52.1 Ų | 52.1 | 60% | 0.598 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61 | -34.2 | -179.6 | -74.7 | 177.8 | -14.3 | 0 | 0 | 111.5 | I1113 F1115 | I1113-Q1117 HydrophobicContact CG2-CG 4.26Å; I1113-Q1117 WeakPolarHBondContact O-CG 3.49Å; I1113-Q1117 PolarHBondContact O-N 3.47Å; F1115-Q1117 PolarHBondContact O-N 2.9Å |
| 1118 | R | 94.4 | Very high | 93 | Very high | 119 Ų | 119 | 56.2 Ų | 56.2 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -85.6 | -16.1 | -178 | -68.7 | 171 | -172.9 | -133.5 | 1.4 | 114.5 | I1086 R1087 A1089 A1090 D1114 F1115 Y1116 | I1086-R1118 WeakPolarHBondContact O-CD 3.17Å; R1087-R1118 PolarHBondContact O-NH1 3.26Å; A1089-R1118 HydrophobicContact CB-CB 3.79Å; A1090-R1118 WeakPolarHBondContact CA-O 3.43Å; A1090-R1118 PolarHBondContact N-O 3.17Å; D1114-R1118 WeakPolarHBondContact O-CB 3.39Å; D1114-R1118 WeakPolarHBondContact O-CD 3.27Å; D1114-R1118 VanDerWaalsContact O-CG 3.22Å; D1114-R1118 WeakPolarHBondContact O-CG 3.32Å; D1114-R1118 PolarHBondContact O-N 3.44Å; F1115-R1118 PolarHBondContact O-N 2.79Å; F1115-R1118 VanDerWaalsContact O-N 3.16Å; Y1116-R1118 PolarHBondContact O-N 3.29Å |
| 1119 | L | 93 | Very high | 93.1 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | trans | -56.8 | 140.3 | 175 | -70.1 | 175.4 | 0 | 0 | 0 | 111.6 | A1089 I1092 T1096 F1115 Y1116 K1124 | A1089-L1119 HydrophobicContact CB-CD2 4.37Å; I1092-L1119 HydrophobicContact CB-CD2 3.63Å; I1092-L1119 HydrophobicContact CD1-CD2 4.25Å; I1092-L1119 HydrophobicContact CG1-CD2 4.49Å; I1092-L1119 HydrophobicContact CG2-CD2 3.7Å; T1096-L1119 HydrophobicContact CG2-CD1 3.9Å; F1115-L1119 HydrophobicContact CD1-CD1 4.37Å; F1115-L1119 HydrophobicContact CD1-CG 4.47Å; F1115-L1119 HydrophobicContact CE1-CD1 4Å; F1115-L1119 HydrophobicContact CE1-CD2 3.95Å; F1115-L1119 HydrophobicContact CE1-CG 4.21Å; F1115-L1119 HydrophobicContact CE2-CD2 4.19Å; F1115-L1119 HydrophobicContact CZ-CD2 3.74Å; F1115-L1119 HydrophobicContact CZ-CG 4.46Å; F1115-L1119 PolarHBondContact O-N 3.35Å; Y1116-L1119 HydrophobicContact CD2-CD1 4.38Å; Y1116-L1119 PolarHBondContact O-N 2.94Å; L1119-K1124 HydrophobicContact CB-CD 3.94Å; L1119-K1124 PolarHBondContact O-NZ 2.82Å | ||
| 1120 | R | 91.1 | Very high | 93 | Very high | 73 Ų | 73 | 52.4 Ų | 52.4 | 28% | 0.275 | 26% | 0.261 | S | S | . | . | trans | -101.1 | 7.1 | 175.8 | -79.2 | -175.4 | 65.6 | -151.5 | 8.6 | 114.5 | A1090 I1092 T1093 E1169 P1174 | A1090-R1120 HydrophobicContact CB-CG 4.05Å; A1090-R1120 WeakPolarHBondContact O-CB 3.36Å; A1090-R1120 WeakPolarHBondContact O-CD 3.38Å; I1092-R1120 PolarHBondContact O-N 3.19Å; T1093-R1120 HydrophobicContact CG2-CB 4.36Å; R1120-E1169 IonicContact CZ-OE1 3.13Å; R1120-E1169 IonicContact CZ-OE2 2.67Å; R1120-E1169 IonicContact NH1-OE1 3.99Å; R1120-E1169 PolarHBondContact NH1-OE1 2.94Å; R1120-E1169 IonicContact NH1-OE2 3.96Å; R1120-E1169 PolarHBondContact NH1-OE2 3.23Å; R1120-E1169 IonicContact NH2-OE1 2.87Å; R1120-E1169 PolarHBondContact NH2-OE1 2.76Å; R1120-E1169 IonicContact NH2-OE2 3.77Å; R1120-P1174 VanDerWaalsContact CD-CG 3.42Å; R1120-P1174 VanDerWaalsContact CZ-CD 3.43Å | ||
| 1121 | S | 88 | Confident | 92.8 | Very high | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | trans | -59.5 | 130.6 | 174.7 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | T1093 L1094 P1095 L1123 | T1093-S1121 VanDerWaalsContact O-CA 3.25Å; T1093-S1121 WeakPolarHBondContact O-CA 3.27Å; T1093-S1121 VanDerWaalsContact O-CB 3.28Å; T1093-S1121 WeakPolarHBondContact O-CB 3.26Å; T1093-S1121 PolarHBondContact O-OG 2.81Å; T1093-S1121 VanDerWaalsContact O-OG 3.13Å; L1094-S1121 WeakPolarHBondContact O-CB 3.35Å; L1094-S1121 PolarHBondContact O-OG 3.05Å; P1095-S1121 WeakPolarHBondContact CA-OG 3.29Å; S1121-L1123 PolarHBondContact O-N 3.44Å; S1121-L1123 PolarHBondContact OG-N 2.92Å; S1121-L1123 PolarHBondContact OG-O 3.47Å | ||
| 1122 | P | 82.4 | Confident | 92.9 | Very high | 95 Ų | 95 | 48.5 Ų | 48.5 | 62% | 0.617 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -67.8 | -25.4 | 174.6 | 27.6 | -33.8 | 0 | 0 | 0 | 112.2 | ||
| 1123 | L | 88.5 | Confident | 92.9 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 23% | 0.23 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -116.8 | 84.2 | 179.9 | -175.5 | 62.5 | 0 | 0 | 0 | 109.8 | P1095 T1096 S1121 F1152 L1156 | P1095-L1123 CarbonylContact C-O 3.53Å; P1095-L1123 WeakPolarHBondContact CA-O 3.3Å; P1095-L1123 HydrophobicContact CB-CB 4.18Å; P1095-L1123 HydrophobicContact CB-CD2 4.11Å; P1095-L1123 HydrophobicContact CB-CG 4.33Å; P1095-L1123 HydrophobicContact CG-CB 4.42Å; P1095-L1123 HydrophobicContact CG-CD2 4.45Å; T1096-L1123 PolarHBondContact N-O 3.29Å; S1121-L1123 PolarHBondContact O-N 3.44Å; S1121-L1123 PolarHBondContact OG-N 2.92Å; S1121-L1123 PolarHBondContact OG-O 3.47Å; L1123-F1152 HydrophobicContact CD2-CE2 4.47Å; L1123-F1152 HydrophobicContact CG-CE2 4.19Å; L1123-L1156 HydrophobicContact CD2-CD2 3.71Å |
| 1124 | K | 92.6 | Very high | 92.8 | Very high | 58 Ų | 58 | 49 Ų | 49 | 25% | 0.252 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.6 | 177.8 | 64.4 | 179.9 | -178.8 | 176.5 | 0 | 113 | T1096 Y1116 L1119 | T1096-K1124 CarbonylContact O-C 3.57Å; T1096-K1124 WeakPolarHBondContact O-CA 3.35Å; Y1116-K1124 HydrophobicContact CD2-CD 4.41Å; Y1116-K1124 HydrophobicContact CE2-CB 3.82Å; Y1116-K1124 HydrophobicContact CE2-CD 3.92Å; Y1116-K1124 HydrophobicContact CE2-CG 3.78Å; Y1116-K1124 PolarHBondContact O-NZ 3.48Å; Y1116-K1124 PolarHBondContact OH-O 3.33Å; L1119-K1124 HydrophobicContact CB-CD 3.94Å; L1119-K1124 PolarHBondContact O-NZ 2.82Å |
| 1125 | E | 94.7 | Very high | 92.8 | Very high | 34 Ų | 34 | 47 Ų | 47 | 16% | 0.159 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 140.5 | 178.9 | -62.6 | -170.9 | 171 | 0 | 0 | 112.2 | T1096 Q1097 L1098 Y1116 H1127 F1152 R1155 | T1096-E1125 PolarHBondContact O-N 2.99Å; Q1097-E1125 CarbonylContact C-O 3.53Å; Q1097-E1125 WeakPolarHBondContact CA-O 3.47Å; Q1097-E1125 HydrophobicContact CB-CB 4.46Å; Q1097-E1125 HydrophobicContact CG-CB 4.13Å; Q1097-E1125 PolarHBondContact NE2-OE2 3.15Å; L1098-E1125 PolarHBondContact N-O 3.23Å; Y1116-E1125 WeakPolarHBondContact CE2-O 3.5Å; E1125-H1127 IonicContact OE2-CE1 3.49Å; E1125-H1127 IonicContact OE2-NE2 3.42Å; E1125-H1127 PolarHBondContact OE2-NE2 3.38Å; E1125-F1152 HydrophobicContact CG-CD2 4.33Å; E1125-R1155 IonicContact OE1-CZ 2.63Å; E1125-R1155 IonicContact OE1-NH1 3.64Å; E1125-R1155 PolarHBondContact OE1-NH1 3.44Å; E1125-R1155 IonicContact OE1-NH2 3.68Å; E1125-R1155 PolarHBondContact OE1-NH2 3.18Å; E1125-R1155 IonicContact OE2-NH2 2.79Å |
| 1126 | L | 95.7 | Very high | 92.6 | Very high | 61 Ų | 61 | 46.9 Ų | 46.9 | 32% | 0.319 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 123.1 | 174.8 | -179.3 | 74.2 | 0 | 0 | 0 | 109.4 | L1098 I1100 Y1116 | L1098-L1126 HydrophobicContact CB-CD1 4.06Å; L1098-L1126 HydrophobicContact CD2-CD1 3.71Å; L1098-L1126 HydrophobicContact CG-CD1 4.05Å; L1098-L1126 WeakPolarHBondContact O-CA 2.87Å; I1100-L1126 HydrophobicContact CD1-CD1 3.58Å; I1100-L1126 HydrophobicContact CG1-CD1 3.99Å; Y1116-L1126 HydrophobicContact CD1-CB 3.91Å; Y1116-L1126 HydrophobicContact CD1-CD1 4.35Å; Y1116-L1126 HydrophobicContact CD1-CD2 3.98Å; Y1116-L1126 HydrophobicContact CD1-CG 4.32Å; Y1116-L1126 HydrophobicContact CD2-CB 3.94Å; Y1116-L1126 HydrophobicContact CD2-CD1 4.29Å; Y1116-L1126 HydrophobicContact CE1-CB 3.68Å; Y1116-L1126 HydrophobicContact CE1-CD2 4.24Å; Y1116-L1126 HydrophobicContact CE1-CG 4.49Å; Y1116-L1126 HydrophobicContact CE2-CB 3.71Å; Y1116-L1126 HydrophobicContact CG-CB 4.02Å; Y1116-L1126 HydrophobicContact CG-CD1 4Å; Y1116-L1126 HydrophobicContact CG-CD2 4.47Å; Y1116-L1126 HydrophobicContact CG-CG 4.41Å |
| 1127 | H | 96 | Very high | 92.6 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 15% | 0.148 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 110.3 | 174.6 | -58 | -72 | 0 | 0 | 0 | 109.5 | Q1097 L1098 L1099 I1100 E1125 K1148 | Q1097-H1127 PolarHBondContact NE2-NE2 3.45Å; L1098-H1127 PolarHBondContact O-N 3.4Å; L1099-H1127 HydrophobicContact CD2-CB 3.8Å; I1100-H1127 PolarHBondContact N-O 3.35Å; E1125-H1127 IonicContact OE2-CE1 3.49Å; E1125-H1127 IonicContact OE2-NE2 3.42Å; E1125-H1127 PolarHBondContact OE2-NE2 3.38Å; H1127-K1148 WeakPolarHBondContact ND1-CD 3.33Å; H1127-K1148 WeakPolarHBondContact ND1-CE 3.46Å |
| 1128 | L | 94.2 | Very high | 92.4 | Very high | 86 Ų | 86 | 38.7 Ų | 38.7 | 45% | 0.45 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 120.6 | 168.5 | -177.2 | 68.7 | 0 | 0 | 0 | 108.2 | I1100 P1130 | I1100-L1128 HydrophobicContact CB-CD1 4.02Å; I1100-L1128 HydrophobicContact CG2-CD1 3.65Å; L1128-P1130 WeakPolarHBondContact O-CD 3.4Å |
| 1129 | L | 94.8 | Very high | 92.4 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 99.2 | -174.9 | -62.2 | 168.7 | 0 | 0 | 0 | 109.4 | L1099 I1100 G1102 F1132 T1136 A1145 | L1099-L1129 HydrophobicContact CB-CD1 4.29Å; I1100-L1129 PolarHBondContact O-N 3.28Å; G1102-L1129 WeakPolarHBondContact CA-O 3.43Å; G1102-L1129 PolarHBondContact N-O 2.89Å; L1129-F1132 HydrophobicContact CB-CB 4.07Å; L1129-F1132 HydrophobicContact CB-CD1 3.98Å; L1129-F1132 HydrophobicContact CB-CD2 3.81Å; L1129-F1132 HydrophobicContact CB-CE1 4.37Å; L1129-F1132 HydrophobicContact CB-CE2 4.21Å; L1129-F1132 HydrophobicContact CB-CG 3.68Å; L1129-F1132 HydrophobicContact CB-CZ 4.45Å; L1129-F1132 HydrophobicContact CD1-CD1 3.88Å; L1129-F1132 HydrophobicContact CD1-CE1 3.89Å; L1129-F1132 HydrophobicContact CD1-CG 4.45Å; L1129-F1132 HydrophobicContact CD1-CZ 4.44Å; L1129-F1132 PolarHBondContact O-N 3.25Å; L1129-T1136 HydrophobicContact CD1-CG2 3.44Å; L1129-T1136 VanDerWaalsContact CD1-CG2 3.44Å; L1129-A1145 HydrophobicContact CD1-CB 3.94Å |
| 1130 | P | 90.6 | Very high | 92.2 | Very high | 108 Ų | 108 | 38.8 Ų | 38.8 | 70% | 0.701 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 142.3 | -175.9 | -18.8 | 33.2 | 0 | 0 | 0 | 111.3 | L1128 F1132 | L1128-P1130 WeakPolarHBondContact O-CD 3.4Å; P1130-F1132 PolarHBondContact O-N 2.84Å |
| 1131 | G | 90 | Very high | 92.2 | Very high | 31 Ų | 31 | 40.2 Ų | 40.2 | 32% | 0.32 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | -11.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | H1052 D1103 | H1052-G1131 PolarHBondContact CE1-O 2.85Å; D1103-G1131 WeakPolarHBondContact OD2-CA 3.31Å; D1103-G1131 PolarHBondContact OD2-N 3.38Å |
| 1132 | F | 95.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | trans | -74.7 | 139.2 | -177.7 | -83.2 | -132 | 0 | 0 | 0 | 111.8 | S1101 D1103 L1129 P1130 T1136 E1139 N1141 L1144 A1145 | S1101-F1132 WeakPolarHBondContact CB-O 3.45Å; D1103-F1132 CarbonylContact C-O 3.4Å; D1103-F1132 PolarHBondContact N-O 3.34Å; L1129-F1132 HydrophobicContact CB-CB 4.07Å; L1129-F1132 HydrophobicContact CB-CD1 3.98Å; L1129-F1132 HydrophobicContact CB-CD2 3.81Å; L1129-F1132 HydrophobicContact CB-CE1 4.37Å; L1129-F1132 HydrophobicContact CB-CE2 4.21Å; L1129-F1132 HydrophobicContact CB-CG 3.68Å; L1129-F1132 HydrophobicContact CB-CZ 4.45Å; L1129-F1132 HydrophobicContact CD1-CD1 3.88Å; L1129-F1132 HydrophobicContact CD1-CE1 3.89Å; L1129-F1132 HydrophobicContact CD1-CG 4.45Å; L1129-F1132 HydrophobicContact CD1-CZ 4.44Å; L1129-F1132 PolarHBondContact O-N 3.25Å; P1130-F1132 PolarHBondContact O-N 2.84Å; F1132-T1136 HydrophobicContact CD1-CG2 4.09Å; F1132-T1136 WeakPolarHBondContact CE1-O 3.42Å; F1132-E1139 HydrophobicContact CB-CG 4.3Å; F1132-E1139 HydrophobicContact CD1-CB 3.61Å; F1132-E1139 HydrophobicContact CD1-CG 3.69Å; F1132-E1139 HydrophobicContact CD2-CG 4.08Å; F1132-E1139 HydrophobicContact CE1-CB 3.69Å; F1132-E1139 HydrophobicContact CE1-CG 3.97Å; F1132-E1139 HydrophobicContact CE2-CG 4.34Å; F1132-E1139 HydrophobicContact CG-CB 4.22Å; F1132-E1139 HydrophobicContact CG-CG 3.76Å; F1132-E1139 HydrophobicContact CZ-CB 4.35Å; F1132-E1139 HydrophobicContact CZ-CG 4.3Å; F1132-N1141 HydrophobicContact CE2-CB 3.91Å; F1132-N1141 HydrophobicContact CZ-CB 4.13Å; F1132-N1141 WeakPolarHBondContact CZ-O 3.34Å; F1132-L1144 HydrophobicContact CE2-CD1 4.08Å; F1132-L1144 HydrophobicContact CZ-CB 4.14Å; F1132-L1144 HydrophobicContact CZ-CD1 4.37Å; F1132-A1145 HydrophobicContact CE1-CB 4.31Å | ||
| 1133 | Y | 94.9 | Very high | 92.9 | Very high | 41 Ų | 41 | 40.9 Ų | 40.9 | 16% | 0.161 | 23% | 0.225 | C | C | . | . | trans | -88 | -174.8 | 167.6 | -71.4 | 1.3 | 0 | 0 | 0 | 110.8 | L1050 H1052 S1101 D1103 Y1105 D1135 E1139 | L1050-Y1133 CarbonylContact O-C 3.58Å; L1050-Y1133 WeakPolarHBondContact O-CB 3.21Å; H1052-Y1133 AromaticContact CD2-CE2 3.97Å; H1052-Y1133 AromaticContact CD2-CZ 3.8Å; H1052-Y1133 AromaticContact CE1-CD1 3.24Å; H1052-Y1133 WeakPolarHBondContact CE1-CD1 3.31Å; H1052-Y1133 AromaticContact CE1-CD2 3.84Å; H1052-Y1133 AromaticContact CE1-CE1 3.02Å; H1052-Y1133 WeakPolarHBondContact CE1-CE1 3.41Å; H1052-Y1133 AromaticContact CE1-CE2 3.7Å; H1052-Y1133 AromaticContact CE1-CG 3.63Å; H1052-Y1133 AromaticContact CE1-CZ 3.28Å; H1052-Y1133 AromaticContact ND1-CD1 3.96Å; H1052-Y1133 AromaticContact ND1-CD2 3.96Å; H1052-Y1133 AromaticContact ND1-CG 3.9Å; H1052-Y1133 AromaticContact NE2-CD1 3.91Å; H1052-Y1133 AromaticContact NE2-CE1 3.19Å; H1052-Y1133 WeakPolarHBondContact NE2-CE1 3.21Å; H1052-Y1133 AromaticContact NE2-CE2 3.63Å; H1052-Y1133 AromaticContact NE2-CZ 3.03Å; H1052-Y1133 PolarHBondContact NE2-OH 3.34Å; H1052-Y1133 VanDerWaalsContact NE2-OH 3.16Å; S1101-Y1133 WeakPolarHBondContact CB-O 3.26Å; S1101-Y1133 PolarHBondContact OG-O 3.14Å; D1103-Y1133 HydrophobicContact CB-CD1 4.28Å; D1103-Y1133 HydrophobicContact CB-CE1 4.3Å; D1103-Y1133 WeakPolarHBondContact O-CD1 3.23Å; Y1105-Y1133 HydrophobicContact CD2-CD1 4.08Å; Y1105-Y1133 HydrophobicContact CD2-CE1 4.05Å; Y1105-Y1133 HydrophobicContact CD2-CE2 4.43Å; Y1105-Y1133 HydrophobicContact CD2-CG 4.35Å; Y1105-Y1133 AromaticContact CE2-CD1 3.93Å; Y1105-Y1133 HydrophobicContact CE2-CD1 3.93Å; Y1105-Y1133 AromaticContact CE2-CE1 3.44Å; Y1105-Y1133 HydrophobicContact CE2-CE1 3.44Å; Y1105-Y1133 VanDerWaalsContact CE2-CE1 3.44Å; Y1105-Y1133 HydrophobicContact CE2-CE2 4.15Å; Y1105-Y1133 AromaticContact CE2-CZ 3.56Å; Y1133-D1135 VanDerWaalsContact C-N 3.28Å; Y1133-D1135 PolarHBondContact O-N 3.03Å; Y1133-E1139 PolarHBondContact N-OE2 2.93Å | ||
| 1134 | H | 94.3 | Very high | 93 | Very high | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.023 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -62.2 | -28.8 | -169.7 | -171 | 57.3 | 0 | 0 | 0 | 115 | Q988 S989 L1050 D1104 V1106 T1136 | Q988-H1134 PolarHBondContact NE2-O 3.45Å; S989-H1134 VanDerWaalsContact CB-NE2 3.31Å; S989-H1134 WeakPolarHBondContact CB-NE2 3.4Å; S989-H1134 PolarHBondContact OG-CE1 3.02Å; S989-H1134 PolarHBondContact OG-NE2 3.01Å; L1050-H1134 HydrophobicContact CD2-CB 4.05Å; L1050-H1134 PolarHBondContact O-N 3.48Å; D1104-H1134 IonicContact OD1-CG 2.72Å; D1104-H1134 IonicContact OD1-ND1 2.69Å; D1104-H1134 PolarHBondContact OD1-ND1 3.03Å; D1104-H1134 WeakPolarHBondContact OD2-CA 3.07Å; D1104-H1134 IonicContact OD2-CE1 2.77Å; D1104-H1134 IonicContact OD2-CG 3.13Å; D1104-H1134 IonicContact OD2-ND1 3.66Å; D1104-H1134 PolarHBondContact OD2-ND1 3.15Å; V1106-H1134 HydrophobicContact CB-CB 3.97Å; V1106-H1134 HydrophobicContact CG2-CB 3.64Å; H1134-T1136 PolarHBondContact O-N 3.36Å |
| 1135 | D | 93.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | trans | -76.1 | 61.4 | 174.3 | -156.8 | -0.2 | 0 | 0 | 0 | 111.8 | R915 Q988 L1050 R1056 Y1133 L1137 G1138 E1139 | R915-D1135 IonicContact CZ-OD1 2.77Å; R915-D1135 IonicContact CZ-OD2 3.51Å; R915-D1135 VanDerWaalsContact CZ-OD2 3.23Å; R915-D1135 IonicContact NE-OD1 3.61Å; R915-D1135 IonicContact NH1-OD1 3.37Å; R915-D1135 PolarHBondContact NH1-OD1 3.08Å; R915-D1135 IonicContact NH1-OD2 2.61Å; R915-D1135 PolarHBondContact NH1-OD2 2.93Å; R915-D1135 IonicContact NH2-OD1 2.63Å; R915-D1135 PolarHBondContact NH2-OD1 2.84Å; R915-D1135 IonicContact NH2-OD2 2.71Å; R915-D1135 PolarHBondContact NH2-OD2 3.35Å; Q988-D1135 VanDerWaalsContact NE2-C 3.32Å; Q988-D1135 VanDerWaalsContact NE2-CA 3.31Å; Q988-D1135 PolarHBondContact NE2-OD1 3.01Å; L1050-D1135 HydrophobicContact CB-CB 4.32Å; L1050-D1135 WeakPolarHBondContact O-CA 3.31Å; L1050-D1135 WeakPolarHBondContact O-CB 3.42Å; L1050-D1135 PolarHBondContact O-N 3.29Å; R1056-D1135 WeakPolarHBondContact CD-OD2 3.44Å; R1056-D1135 IonicContact CZ-OD2 3.44Å; R1056-D1135 IonicContact NE-OD2 2.79Å; R1056-D1135 PolarHBondContact NE-OD2 3.38Å; Y1133-D1135 VanDerWaalsContact C-N 3.28Å; Y1133-D1135 PolarHBondContact O-N 3.03Å; D1135-L1137 PolarHBondContact O-N 3.26Å; D1135-L1137 VanDerWaalsContact O-N 3.09Å; D1135-G1138 VanDerWaalsContact CG-CA 3.44Å; D1135-G1138 CarbonylContact O-C 3.58Å; D1135-G1138 WeakPolarHBondContact O-CA 3.3Å; D1135-G1138 PolarHBondContact O-N 3.03Å; D1135-G1138 PolarHBondContact OD1-N 3.43Å; D1135-E1139 PolarHBondContact O-N 3.34Å | ||
| 1136 | T | 93 | Very high | 93.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -48.9 | -42.8 | -175.3 | -47.6 | 0 | 0 | 0 | 0 | 113.8 | A1012 S1013 L1099 S1101 L1129 F1132 H1134 G1138 A1145 | A1012-T1136 HydrophobicContact CB-CG2 4.46Å; S1013-T1136 WeakPolarHBondContact CB-OG1 3.16Å; S1013-T1136 PolarHBondContact OG-OG1 3.17Å; L1099-T1136 HydrophobicContact CB-CG2 4.09Å; S1101-T1136 PolarHBondContact OG-OG1 3.47Å; L1129-T1136 HydrophobicContact CD1-CG2 3.44Å; L1129-T1136 VanDerWaalsContact CD1-CG2 3.44Å; F1132-T1136 HydrophobicContact CD1-CG2 4.09Å; F1132-T1136 WeakPolarHBondContact CE1-O 3.42Å; H1134-T1136 PolarHBondContact O-N 3.36Å; T1136-G1138 VanDerWaalsContact C-N 3.34Å; T1136-A1145 HydrophobicContact CG2-CB 4.47Å |
| 1137 | L | 93.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -86.5 | -5.6 | -179.7 | -50.8 | -177.9 | 0 | 0 | 0 | 113 | H925 L926 I986 Q988 A1012 L1099 D1135 R1142 A1145 M1149 | H925-L1137 PolarHBondContact NE2-O 3.37Å; L926-L1137 HydrophobicContact CD1-CB 4.04Å; L926-L1137 HydrophobicContact CD1-CD1 4.47Å; L926-L1137 HydrophobicContact CD2-CD1 3.72Å; L926-L1137 HydrophobicContact CG-CD1 4.29Å; I986-L1137 HydrophobicContact CG2-CD1 4.07Å; Q988-L1137 HydrophobicContact CB-CD1 4.44Å; A1012-L1137 HydrophobicContact CB-CD1 4.06Å; A1012-L1137 HydrophobicContact CB-CD2 4.01Å; A1012-L1137 HydrophobicContact CB-CG 3.85Å; L1099-L1137 HydrophobicContact CD1-CD2 4.05Å; D1135-L1137 PolarHBondContact O-N 3.26Å; D1135-L1137 VanDerWaalsContact O-N 3.09Å; L1137-R1142 WeakPolarHBondContact O-CD 3.42Å; L1137-A1145 HydrophobicContact CD2-CB 4.37Å; L1137-M1149 HydrophobicContact CD2-CE 3.67Å; L1137-M1149 HydrophobicContact CD2-SD 3.68Å |
| 1138 | G | 91.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -121.5 | 19.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1051 R1056 D1135 T1136 R1142 | T1051-G1138 PolarHBondContact OG1-O 2.93Å; R1056-G1138 WeakPolarHBondContact CD-O 3.26Å; R1056-G1138 VanDerWaalsContact NE-CA 3.3Å; D1135-G1138 VanDerWaalsContact CG-CA 3.44Å; D1135-G1138 CarbonylContact O-C 3.58Å; D1135-G1138 WeakPolarHBondContact O-CA 3.3Å; D1135-G1138 PolarHBondContact O-N 3.03Å; D1135-G1138 PolarHBondContact OD1-N 3.43Å; T1136-G1138 VanDerWaalsContact C-N 3.34Å; G1138-R1142 VanDerWaalsContact C-NH1 3.31Å; G1138-R1142 PolarHBondContact O-NH1 3.18Å |
| 1139 | E | 93.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -75.1 | 158.1 | 179.9 | -169.6 | 42.4 | -119.2 | 0 | 0 | 111.4 | T1051 H1052 F1132 Y1133 D1135 N1141 R1142 | T1051-E1139 VanDerWaalsContact CA-OE2 3.29Å; T1051-E1139 WeakPolarHBondContact CA-OE2 3.16Å; T1051-E1139 WeakPolarHBondContact OG1-CA 3.07Å; H1052-E1139 WeakPolarHBondContact CB-OE1 3.39Å; H1052-E1139 IonicContact CG-OE1 2.8Å; H1052-E1139 PolarHBondContact N-OE1 3.38Å; H1052-E1139 PolarHBondContact N-OE2 2.9Å; H1052-E1139 IonicContact ND1-OE1 3.3Å; H1052-E1139 PolarHBondContact ND1-OE1 2.96Å; H1052-E1139 IonicContact ND1-OE2 2.8Å; F1132-E1139 HydrophobicContact CB-CG 4.3Å; F1132-E1139 HydrophobicContact CD1-CB 3.61Å; F1132-E1139 HydrophobicContact CD1-CG 3.69Å; F1132-E1139 HydrophobicContact CD2-CG 4.08Å; F1132-E1139 HydrophobicContact CE1-CB 3.69Å; F1132-E1139 HydrophobicContact CE1-CG 3.97Å; F1132-E1139 HydrophobicContact CE2-CG 4.34Å; F1132-E1139 HydrophobicContact CG-CB 4.22Å; F1132-E1139 HydrophobicContact CG-CG 3.76Å; F1132-E1139 HydrophobicContact CZ-CB 4.35Å; F1132-E1139 HydrophobicContact CZ-CG 4.3Å; Y1133-E1139 PolarHBondContact N-OE2 2.93Å; D1135-E1139 PolarHBondContact O-N 3.34Å; E1139-N1141 PolarHBondContact O-N 2.98Å; E1139-R1142 HydrophobicContact CB-CB 4.43Å; E1139-R1142 WeakPolarHBondContact O-CB 3.36Å; E1139-R1142 WeakPolarHBondContact O-CD 3.39Å; E1139-R1142 WeakPolarHBondContact O-CG 3.38Å; E1139-R1142 PolarHBondContact O-N 3.49Å; E1139-R1142 VanDerWaalsContact O-N 3.11Å; E1139-R1142 PolarHBondContact O-NH1 3.37Å |
| 1140 | E | 90.2 | Very high | 92.6 | Very high | 125 Ų | 125 | 43.3 Ų | 43.3 | 58% | 0.584 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -40.2 | 176.3 | -173.1 | 170.1 | -158.8 | 0 | 0 | 111.2 | H1052 D1053 R1142 | H1052-E1140 HydrophobicContact CB-CB 4.13Å; D1053-E1140 HydrophobicContact CB-CB 4.35Å; E1140-R1142 PolarHBondContact O-N 3.3Å |
| 1141 | N | 91.1 | Very high | 92.7 | Very high | 103 Ų | 103 | 41.2 Ų | 41.2 | 55% | 0.551 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 22.6 | 177 | -67.1 | -38.7 | 0 | 0 | 0 | 113.9 | F1132 E1139 A1143 L1144 | F1132-N1141 HydrophobicContact CE2-CB 3.91Å; F1132-N1141 HydrophobicContact CZ-CB 4.13Å; F1132-N1141 WeakPolarHBondContact CZ-O 3.34Å; E1139-N1141 PolarHBondContact O-N 2.98Å; N1141-A1143 PolarHBondContact O-N 3.39Å; N1141-L1144 HydrophobicContact CB-CD1 4.4Å; N1141-L1144 PolarHBondContact O-N 3.47Å; N1141-L1144 VanDerWaalsContact O-N 3.15Å |
| 1142 | R | 93 | Very high | 92.9 | Very high | 44 Ų | 44 | 39.8 Ų | 39.8 | 17% | 0.166 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -24 | -173.4 | 58.4 | -170.3 | 154.1 | -104.3 | 0.4 | 115.7 | E929 D1053 L1137 G1138 E1139 E1140 L1144 A1145 F1146 | E929-R1142 IonicContact OE1-NE 2.76Å; E929-R1142 PolarHBondContact OE1-NE 2.85Å; E929-R1142 IonicContact OE2-NE 3.3Å; D1053-R1142 IonicContact OD2-CZ 3.82Å; D1053-R1142 IonicContact OD2-NH1 3.14Å; D1053-R1142 PolarHBondContact OD2-NH1 2.9Å; D1053-R1142 IonicContact OD2-NH2 3.82Å; D1053-R1142 PolarHBondContact OD2-NH2 3.12Å; L1137-R1142 WeakPolarHBondContact O-CD 3.42Å; G1138-R1142 VanDerWaalsContact C-NH1 3.31Å; G1138-R1142 PolarHBondContact O-NH1 3.18Å; E1139-R1142 HydrophobicContact CB-CB 4.43Å; E1139-R1142 WeakPolarHBondContact O-CB 3.36Å; E1139-R1142 WeakPolarHBondContact O-CD 3.39Å; E1139-R1142 WeakPolarHBondContact O-CG 3.38Å; E1139-R1142 PolarHBondContact O-N 3.49Å; E1139-R1142 VanDerWaalsContact O-N 3.11Å; E1139-R1142 PolarHBondContact O-NH1 3.37Å; E1140-R1142 PolarHBondContact O-N 3.3Å; R1142-L1144 PolarHBondContact O-N 3.1Å; R1142-L1144 VanDerWaalsContact O-N 3.07Å; R1142-A1145 WeakPolarHBondContact O-CA 3.36Å; R1142-A1145 WeakPolarHBondContact O-CB 3.18Å; R1142-A1145 PolarHBondContact O-N 3.25Å; R1142-F1146 HydrophobicContact CB-CD2 4.35Å; R1142-F1146 HydrophobicContact CB-CE2 4.32Å; R1142-F1146 HydrophobicContact CG-CE2 4.48Å; R1142-F1146 WeakPolarHBondContact O-CD2 3.22Å; R1142-F1146 PolarHBondContact O-N 2.91Å; R1142-F1146 VanDerWaalsContact O-N 3.14Å |
| 1143 | A | 90.9 | Very high | 92.8 | Very high | 70 Ų | 70 | 39.6 Ų | 39.6 | 58% | 0.579 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -48.8 | -36.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1141 A1145 F1146 E1147 | N1141-A1143 PolarHBondContact O-N 3.39Å; A1143-A1145 VanDerWaalsContact C-N 3.3Å; A1143-A1145 PolarHBondContact O-N 2.75Å; A1143-F1146 PolarHBondContact O-N 3.49Å; A1143-E1147 PolarHBondContact O-N 3.3Å |
| 1144 | L | 91.9 | Very high | 92.5 | Very high | 90 Ų | 90 | 41 Ų | 41 | 47% | 0.471 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.7 | -35.8 | 175.7 | -66.4 | 170.7 | 0 | 0 | 0 | 112.8 | F1132 N1141 R1142 K1148 | F1132-L1144 HydrophobicContact CE2-CD1 4.08Å; F1132-L1144 HydrophobicContact CZ-CB 4.14Å; F1132-L1144 HydrophobicContact CZ-CD1 4.37Å; N1141-L1144 HydrophobicContact CB-CD1 4.4Å; N1141-L1144 PolarHBondContact O-N 3.47Å; N1141-L1144 VanDerWaalsContact O-N 3.15Å; R1142-L1144 PolarHBondContact O-N 3.1Å; R1142-L1144 VanDerWaalsContact O-N 3.07Å; L1144-K1148 VanDerWaalsContact O-CG 3.27Å; L1144-K1148 WeakPolarHBondContact O-CG 3.45Å |
| 1145 | A | 93.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -73.4 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1099 L1129 F1132 T1136 L1137 R1142 A1143 K1148 M1149 | L1099-A1145 HydrophobicContact CD1-CB 4.2Å; L1129-A1145 HydrophobicContact CD1-CB 3.94Å; F1132-A1145 HydrophobicContact CE1-CB 4.31Å; T1136-A1145 HydrophobicContact CG2-CB 4.47Å; L1137-A1145 HydrophobicContact CD2-CB 4.37Å; R1142-A1145 WeakPolarHBondContact O-CA 3.36Å; R1142-A1145 WeakPolarHBondContact O-CB 3.18Å; R1142-A1145 PolarHBondContact O-N 3.25Å; A1143-A1145 VanDerWaalsContact C-N 3.3Å; A1143-A1145 PolarHBondContact O-N 2.75Å; A1145-K1148 WeakPolarHBondContact O-CB 3.47Å; A1145-K1148 PolarHBondContact O-N 3.07Å; A1145-M1149 WeakPolarHBondContact O-CG 3.47Å; A1145-M1149 PolarHBondContact O-N 3.19Å |
| 1146 | F | 94.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.4 | -41.2 | -179.6 | -83.9 | -104.7 | 0 | 0 | 0 | 113.3 | L926 E929 L930 R1142 A1143 K1148 M1149 Q1150 | L926-F1146 HydrophobicContact CB-CE1 4.48Å; L926-F1146 HydrophobicContact CB-CZ 4.36Å; L926-F1146 HydrophobicContact CD1-CZ 4.12Å; L926-F1146 HydrophobicContact CG-CE1 4.46Å; L926-F1146 HydrophobicContact CG-CZ 3.96Å; E929-F1146 HydrophobicContact CB-CD1 3.64Å; E929-F1146 HydrophobicContact CB-CE1 3.3Å; E929-F1146 HydrophobicContact CB-CG 4.41Å; E929-F1146 HydrophobicContact CB-CZ 3.82Å; E929-F1146 HydrophobicContact CG-CE1 4.46Å; L930-F1146 HydrophobicContact CD2-CD1 4.01Å; L930-F1146 HydrophobicContact CD2-CE1 4.34Å; L930-F1146 HydrophobicContact CG-CD1 4.06Å; L930-F1146 HydrophobicContact CG-CE1 3.94Å; R1142-F1146 HydrophobicContact CB-CD2 4.35Å; R1142-F1146 HydrophobicContact CB-CE2 4.32Å; R1142-F1146 HydrophobicContact CG-CE2 4.48Å; R1142-F1146 WeakPolarHBondContact O-CD2 3.22Å; R1142-F1146 PolarHBondContact O-N 2.91Å; R1142-F1146 VanDerWaalsContact O-N 3.14Å; A1143-F1146 PolarHBondContact O-N 3.49Å; F1146-K1148 VanDerWaalsContact C-N 3.29Å; F1146-K1148 PolarHBondContact O-N 3.13Å; F1146-M1149 HydrophobicContact CB-CE 4.3Å; F1146-M1149 HydrophobicContact CD1-CE 3.84Å; F1146-M1149 HydrophobicContact CD2-CE 3.78Å; F1146-M1149 HydrophobicContact CE1-CE 4.04Å; F1146-M1149 HydrophobicContact CE2-CE 4.01Å; F1146-M1149 HydrophobicContact CG-CE 3.71Å; F1146-M1149 HydrophobicContact CZ-CE 4.14Å; F1146-M1149 PolarHBondContact O-N 3.01Å; F1146-M1149 VanDerWaalsContact O-N 3.16Å; F1146-Q1150 WeakPolarHBondContact O-CG 3.34Å; F1146-Q1150 PolarHBondContact O-N 3.25Å |
| 1147 | E | 91.3 | Very high | 92 | Very high | 130 Ų | 130 | 46.8 Ų | 46.8 | 61% | 0.607 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -57 | -43.7 | 175.6 | -172.3 | -169.8 | 162.1 | 0 | 0 | 111.4 | A1143 S1151 | A1143-E1147 PolarHBondContact O-N 3.3Å; E1147-S1151 WeakPolarHBondContact O-CB 3.47Å; E1147-S1151 PolarHBondContact O-N 3.19Å; E1147-S1151 VanDerWaalsContact O-N 3.12Å |
| 1148 | K | 93.9 | Very high | 91.5 | Very high | 85 Ų | 85 | 50.6 Ų | 50.6 | 37% | 0.37 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 176.4 | -59.2 | -69.9 | -166.7 | -179.4 | 0 | 111.7 | Q1097 L1099 H1127 L1144 A1145 F1146 F1152 | Q1097-K1148 PolarHBondContact NE2-O 3.12Å; L1099-K1148 HydrophobicContact CD2-CB 4.34Å; H1127-K1148 WeakPolarHBondContact ND1-CD 3.33Å; H1127-K1148 WeakPolarHBondContact ND1-CE 3.46Å; L1144-K1148 VanDerWaalsContact O-CG 3.27Å; L1144-K1148 WeakPolarHBondContact O-CG 3.45Å; A1145-K1148 WeakPolarHBondContact O-CB 3.47Å; A1145-K1148 PolarHBondContact O-N 3.07Å; F1146-K1148 VanDerWaalsContact C-N 3.29Å; F1146-K1148 PolarHBondContact O-N 3.13Å; K1148-F1152 WeakPolarHBondContact O-CB 3.17Å; K1148-F1152 PolarHBondContact O-N 3.29Å; K1148-F1152 VanDerWaalsContact O-N 3.14Å |
| 1149 | M | 95 | Very high | 91 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.3 | -50.1 | 179.8 | -69.2 | -170.4 | -61.4 | 0 | 0 | 111.5 | L930 I986 V1010 L1099 L1137 A1145 F1146 S1151 F1152 I1153 | L930-M1149 HydrophobicContact CD2-CB 4.29Å; L930-M1149 HydrophobicContact CD2-CE 4.28Å; I986-M1149 HydrophobicContact CG2-SD 4.37Å; V1010-M1149 HydrophobicContact CG1-CG 3.8Å; V1010-M1149 HydrophobicContact CG1-SD 3.78Å; L1099-M1149 HydrophobicContact CD1-CG 3.75Å; L1099-M1149 HydrophobicContact CD1-SD 3.95Å; L1137-M1149 HydrophobicContact CD2-CE 3.67Å; L1137-M1149 HydrophobicContact CD2-SD 3.68Å; A1145-M1149 WeakPolarHBondContact O-CG 3.47Å; A1145-M1149 PolarHBondContact O-N 3.19Å; F1146-M1149 HydrophobicContact CB-CE 4.3Å; F1146-M1149 HydrophobicContact CD1-CE 3.84Å; F1146-M1149 HydrophobicContact CD2-CE 3.78Å; F1146-M1149 HydrophobicContact CE1-CE 4.04Å; F1146-M1149 HydrophobicContact CE2-CE 4.01Å; F1146-M1149 HydrophobicContact CG-CE 3.71Å; F1146-M1149 HydrophobicContact CZ-CE 4.14Å; F1146-M1149 PolarHBondContact O-N 3.01Å; F1146-M1149 VanDerWaalsContact O-N 3.16Å; M1149-S1151 VanDerWaalsContact C-N 3.35Å; M1149-S1151 PolarHBondContact O-N 3.45Å; M1149-F1152 PolarHBondContact O-N 3.1Å; M1149-F1152 VanDerWaalsContact O-N 3.17Å; M1149-I1153 WeakPolarHBondContact O-CB 3.39Å; M1149-I1153 VanDerWaalsContact O-CG1 3.27Å; M1149-I1153 WeakPolarHBondContact O-CG1 3.45Å; M1149-I1153 PolarHBondContact O-N 2.91Å |
| 1150 | Q | 91.1 | Very high | 90 | Very high | 64 Ų | 64 | 63.7 Ų | 63.7 | 30% | 0.299 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.1 | -48 | 178.5 | -74.2 | 173.3 | -13.2 | 0 | 0 | 111.1 | E929 L930 F1146 F1152 I1153 S1154 | E929-Q1150 PolarHBondContact O-NE2 3.3Å; L930-Q1150 HydrophobicContact CD2-CG 3.96Å; L930-Q1150 PolarHBondContact O-NE2 2.85Å; F1146-Q1150 WeakPolarHBondContact O-CG 3.34Å; F1146-Q1150 PolarHBondContact O-N 3.25Å; Q1150-F1152 VanDerWaalsContact C-N 3.29Å; Q1150-F1152 PolarHBondContact O-N 3.5Å; Q1150-I1153 PolarHBondContact O-N 2.86Å; Q1150-S1154 VanDerWaalsContact O-CB 3.3Å; Q1150-S1154 WeakPolarHBondContact O-CB 3.47Å; Q1150-S1154 PolarHBondContact O-N 2.99Å; Q1150-S1154 PolarHBondContact O-OG 3.01Å |
| 1151 | S | 92.2 | Very high | 89.2 | Confident | 64 Ų | 64 | 59.8 Ų | 59.8 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.8 | -38.2 | 177.9 | 176.6 | 0 | 0 | 0 | 0 | 113.3 | E1147 M1149 R1155 | E1147-S1151 WeakPolarHBondContact O-CB 3.47Å; E1147-S1151 PolarHBondContact O-N 3.19Å; E1147-S1151 VanDerWaalsContact O-N 3.12Å; M1149-S1151 VanDerWaalsContact C-N 3.35Å; M1149-S1151 PolarHBondContact O-N 3.45Å; S1151-R1155 WeakPolarHBondContact O-CG 3.17Å; S1151-R1155 PolarHBondContact O-N 2.95Å; S1151-R1155 PolarHBondContact O-NE 2.99Å |
| 1152 | F | 94.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.4 | -50.4 | 176.8 | -179.1 | -105.7 | 0 | 0 | 0 | 112 | V1010 P1095 Q1097 L1123 E1125 K1148 M1149 Q1150 S1154 R1155 L1156 | V1010-F1152 HydrophobicContact CG2-CD1 4.02Å; V1010-F1152 HydrophobicContact CG2-CE1 4.29Å; P1095-F1152 HydrophobicContact CB-CZ 4.07Å; Q1097-F1152 HydrophobicContact CB-CD1 3.74Å; Q1097-F1152 HydrophobicContact CB-CD2 4.26Å; Q1097-F1152 HydrophobicContact CB-CE1 3.82Å; Q1097-F1152 HydrophobicContact CB-CE2 4.34Å; Q1097-F1152 HydrophobicContact CB-CG 3.97Å; Q1097-F1152 HydrophobicContact CB-CZ 4.14Å; Q1097-F1152 VanDerWaalsContact NE2-CB 3.3Å; L1123-F1152 HydrophobicContact CD2-CE2 4.47Å; L1123-F1152 HydrophobicContact CG-CE2 4.19Å; E1125-F1152 HydrophobicContact CG-CD2 4.33Å; K1148-F1152 WeakPolarHBondContact O-CB 3.17Å; K1148-F1152 PolarHBondContact O-N 3.29Å; K1148-F1152 VanDerWaalsContact O-N 3.14Å; M1149-F1152 PolarHBondContact O-N 3.1Å; M1149-F1152 VanDerWaalsContact O-N 3.17Å; Q1150-F1152 VanDerWaalsContact C-N 3.29Å; Q1150-F1152 PolarHBondContact O-N 3.5Å; F1152-S1154 PolarHBondContact O-N 2.93Å; F1152-R1155 WeakPolarHBondContact O-CB 3.39Å; F1152-R1155 PolarHBondContact O-N 2.91Å; F1152-R1155 VanDerWaalsContact O-N 3.17Å; F1152-L1156 HydrophobicContact CD1-CD1 3.96Å; F1152-L1156 HydrophobicContact CD1-CG 4.42Å; F1152-L1156 HydrophobicContact CE1-CD1 3.51Å; F1152-L1156 HydrophobicContact CE1-CG 4.16Å; F1152-L1156 HydrophobicContact CZ-CD1 3.96Å; F1152-L1156 HydrophobicContact CZ-CD2 4.22Å; F1152-L1156 HydrophobicContact CZ-CG 4.27Å; F1152-L1156 WeakPolarHBondContact O-CG 3.41Å; F1152-L1156 PolarHBondContact O-N 3.43Å |
| 1153 | I | 93.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | -178.7 | -64.5 | 171.9 | 0 | 0 | 0 | 111.2 | I910 M932 V984 I986 V1010 M1149 Q1150 R1155 L1156 Y1157 | I910-I1153 HydrophobicContact CD1-CD1 4.34Å; I910-I1153 HydrophobicContact CD1-CG2 4.29Å; M932-I1153 HydrophobicContact CE-CG2 3.8Å; M932-I1153 HydrophobicContact SD-CG2 3.97Å; V984-I1153 HydrophobicContact CG1-CD1 4.38Å; V984-I1153 HydrophobicContact CG1-CG1 4.2Å; I986-I1153 HydrophobicContact CD1-CD1 3.91Å; V1010-I1153 HydrophobicContact CG2-CD1 4.39Å; V1010-I1153 HydrophobicContact CG2-CG1 4.33Å; M1149-I1153 WeakPolarHBondContact O-CB 3.39Å; M1149-I1153 VanDerWaalsContact O-CG1 3.27Å; M1149-I1153 WeakPolarHBondContact O-CG1 3.45Å; M1149-I1153 PolarHBondContact O-N 2.91Å; Q1150-I1153 PolarHBondContact O-N 2.86Å; I1153-R1155 VanDerWaalsContact C-N 3.33Å; I1153-R1155 PolarHBondContact O-N 3Å; I1153-L1156 WeakPolarHBondContact O-CB 3.25Å; I1153-L1156 PolarHBondContact O-N 2.81Å; I1153-L1156 VanDerWaalsContact O-N 3.15Å; I1153-Y1157 HydrophobicContact CG2-CD2 3.77Å; I1153-Y1157 HydrophobicContact CG2-CE2 3.79Å; I1153-Y1157 WeakPolarHBondContact O-CD2 3.49Å; I1153-Y1157 PolarHBondContact O-N 2.85Å |
| 1154 | S | 88.4 | Confident | 87.1 | Confident | 69 Ų | 69 | 66 Ų | 66 | 48% | 0.483 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 175.6 | -62.4 | 0 | 0 | 0 | 0 | 112.2 | Q1150 F1152 L1156 Y1157 A1158 | Q1150-S1154 VanDerWaalsContact O-CB 3.3Å; Q1150-S1154 WeakPolarHBondContact O-CB 3.47Å; Q1150-S1154 PolarHBondContact O-N 2.99Å; Q1150-S1154 PolarHBondContact O-OG 3.01Å; F1152-S1154 PolarHBondContact O-N 2.93Å; S1154-L1156 VanDerWaalsContact C-N 3.35Å; S1154-Y1157 PolarHBondContact O-N 3.3Å; S1154-A1158 VanDerWaalsContact O-CB 3.22Å; S1154-A1158 WeakPolarHBondContact O-CB 3.32Å; S1154-A1158 PolarHBondContact O-N 3.05Å |
| 1155 | R | 90.7 | Very high | 86.8 | Confident | 88 Ų | 88 | 66.3 Ų | 66.3 | 33% | 0.332 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66 | -36.1 | 173.7 | -82.6 | -178 | -68.4 | 151.6 | 0.7 | 112.5 | E1125 S1151 F1152 I1153 N1159 | E1125-R1155 IonicContact OE1-CZ 2.63Å; E1125-R1155 IonicContact OE1-NH1 3.64Å; E1125-R1155 PolarHBondContact OE1-NH1 3.44Å; E1125-R1155 IonicContact OE1-NH2 3.68Å; E1125-R1155 PolarHBondContact OE1-NH2 3.18Å; E1125-R1155 IonicContact OE2-NH2 2.79Å; S1151-R1155 WeakPolarHBondContact O-CG 3.17Å; S1151-R1155 PolarHBondContact O-N 2.95Å; S1151-R1155 PolarHBondContact O-NE 2.99Å; F1152-R1155 WeakPolarHBondContact O-CB 3.39Å; F1152-R1155 PolarHBondContact O-N 2.91Å; F1152-R1155 VanDerWaalsContact O-N 3.17Å; I1153-R1155 VanDerWaalsContact C-N 3.33Å; I1153-R1155 PolarHBondContact O-N 3Å; R1155-N1159 PolarHBondContact O-N 2.7Å; R1155-N1159 PolarHBondContact O-ND2 3.31Å |
| 1156 | L | 91.1 | Very high | 86.6 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64 | -46.8 | 175.7 | -69 | -178.6 | 0 | 0 | 0 | 111.5 | V984 R1007 P1095 L1123 F1152 I1153 S1154 | V984-L1156 HydrophobicContact CG2-CD1 4.27Å; R1007-L1156 HydrophobicContact CG-CB 4.11Å; R1007-L1156 VanDerWaalsContact CZ-O 3.26Å; R1007-L1156 PolarHBondContact NE-O 3.41Å; R1007-L1156 PolarHBondContact NH2-O 2.99Å; P1095-L1156 HydrophobicContact CB-CD2 3.57Å; P1095-L1156 HydrophobicContact CG-CD2 4.06Å; L1123-L1156 HydrophobicContact CD2-CD2 3.71Å; F1152-L1156 HydrophobicContact CD1-CD1 3.96Å; F1152-L1156 HydrophobicContact CD1-CG 4.42Å; F1152-L1156 HydrophobicContact CE1-CD1 3.51Å; F1152-L1156 HydrophobicContact CE1-CG 4.16Å; F1152-L1156 HydrophobicContact CZ-CD1 3.96Å; F1152-L1156 HydrophobicContact CZ-CD2 4.22Å; F1152-L1156 HydrophobicContact CZ-CG 4.27Å; F1152-L1156 WeakPolarHBondContact O-CG 3.41Å; F1152-L1156 PolarHBondContact O-N 3.43Å; I1153-L1156 WeakPolarHBondContact O-CB 3.25Å; I1153-L1156 PolarHBondContact O-N 2.81Å; I1153-L1156 VanDerWaalsContact O-N 3.15Å; S1154-L1156 VanDerWaalsContact C-N 3.35Å |
| 1157 | Y | 88.1 | Confident | 85.9 | Confident | 31 Ų | 31 | 71.7 Ų | 71.7 | 12% | 0.122 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -74.2 | -24.8 | 179.1 | -76.9 | -65 | 0 | 0 | 0 | 113.7 | K908 V909 M932 E982 V984 R1007 I1153 S1154 | K908-Y1157 HydrophobicContact CB-CD1 4.45Å; K908-Y1157 HydrophobicContact CB-CE1 3.96Å; K908-Y1157 HydrophobicContact CB-CE2 4.06Å; K908-Y1157 HydrophobicContact CD-CD1 4.43Å; K908-Y1157 HydrophobicContact CD-CD2 4.04Å; K908-Y1157 HydrophobicContact CD-CE2 4.31Å; K908-Y1157 HydrophobicContact CD-CG 4.1Å; K908-Y1157 HydrophobicContact CG-CD1 3.84Å; K908-Y1157 HydrophobicContact CG-CD2 4.18Å; K908-Y1157 HydrophobicContact CG-CE1 3.85Å; K908-Y1157 HydrophobicContact CG-CE2 4.17Å; K908-Y1157 HydrophobicContact CG-CG 4.02Å; V909-Y1157 PolarHBondContact N-OH 2.81Å; V909-Y1157 PolarHBondContact O-OH 3.23Å; M932-Y1157 HydrophobicContact CE-CD2 4.46Å; E982-Y1157 WeakPolarHBondContact O-CE1 3.26Å; E982-Y1157 PolarHBondContact O-OH 3Å; V984-Y1157 HydrophobicContact CG2-CE2 3.75Å; R1007-Y1157 HydrophobicContact CG-CE1 4.47Å; R1007-Y1157 PolarHBondContact NH2-O 2.91Å; I1153-Y1157 HydrophobicContact CG2-CD2 3.77Å; I1153-Y1157 HydrophobicContact CG2-CE2 3.79Å; I1153-Y1157 WeakPolarHBondContact O-CD2 3.49Å; I1153-Y1157 PolarHBondContact O-N 2.85Å; S1154-Y1157 PolarHBondContact O-N 3.3Å |
| 1158 | A | 83.8 | Confident | 85.7 | Confident | 81 Ų | 81 | 70.4 Ų | 70.4 | 67% | 0.669 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -74.2 | -26.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | S1154 | S1154-A1158 VanDerWaalsContact O-CB 3.22Å; S1154-A1158 WeakPolarHBondContact O-CB 3.32Å; S1154-A1158 PolarHBondContact O-N 3.05Å |
| 1159 | N | 79 | Confident | 85.5 | Confident | 88 Ų | 88 | 66.7 Ų | 66.7 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -106.1 | 144.7 | -178.3 | -65.9 | -54.7 | 0 | 0 | 0 | 111.1 | R1007 R1155 | R1007-N1159 PolarHBondContact NH2-O 3.19Å; R1155-N1159 PolarHBondContact O-N 2.7Å; R1155-N1159 PolarHBondContact O-ND2 3.31Å |
| 1160 | K | 72.8 | Confident | 85.2 | Confident | 189 Ų | 189 | 68.3 Ų | 68.3 | 82% | 0.822 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 140.9 | 175.4 | -154 | 172.6 | -173.4 | 175.1 | 0 | 110.8 | Q1162 | K1160-Q1162 PolarHBondContact O-N 3.48Š|
| 1161 | S | 73.4 | Confident | 85.1 | Confident | 43 Ų | 43 | 68.3 Ų | 68.3 | 30% | 0.301 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 124 | 179.6 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1162 | Q | 69.1 | Low | 84.9 | Confident | 109 Ų | 109 | 70 Ų | 70 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 124.5 | -175.9 | -68.1 | -175.5 | -7.1 | 0 | 0 | 110.4 | K1160 | K1160-Q1162 PolarHBondContact O-N 3.48Š|
| 1163 | K | 76.5 | Confident | 84.5 | Confident | 188 Ų | 188 | 70 Ų | 70 | 82% | 0.817 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -93.1 | 135.2 | 171.3 | -64.6 | -176.2 | -179.4 | -178.5 | 0 | 109.6 | ||
| 1164 | F | 85.6 | Confident | 84.2 | Confident | 52 Ų | 52 | 72.5 Ų | 72.5 | 23% | 0.228 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 136.2 | 173.6 | -170.2 | -90.4 | 0 | 0 | 0 | 110 | T1093 Y1166 | T1093-F1164 HydrophobicContact CG2-CB 4.32Å; T1093-F1164 HydrophobicContact CG2-CD1 3.72Å; T1093-F1164 HydrophobicContact CG2-CD2 3.72Å; T1093-F1164 HydrophobicContact CG2-CE1 3.87Å; T1093-F1164 HydrophobicContact CG2-CE2 3.87Å; T1093-F1164 HydrophobicContact CG2-CG 3.64Å; T1093-F1164 HydrophobicContact CG2-CZ 3.94Å; F1164-Y1166 HydrophobicContact CB-CD2 4.47Å; F1164-Y1166 HydrophobicContact CB-CE2 3.89Å; F1164-Y1166 AromaticContact CD1-CD1 3.92Å; F1164-Y1166 HydrophobicContact CD1-CD1 3.92Å; F1164-Y1166 AromaticContact CD1-CD2 3.91Å; F1164-Y1166 HydrophobicContact CD1-CD2 3.91Å; F1164-Y1166 AromaticContact CD1-CE1 3.74Å; F1164-Y1166 HydrophobicContact CD1-CE1 3.74Å; F1164-Y1166 AromaticContact CD1-CE2 3.72Å; F1164-Y1166 HydrophobicContact CD1-CE2 3.72Å; F1164-Y1166 HydrophobicContact CD1-CG 4.01Å; F1164-Y1166 AromaticContact CD1-CZ 3.64Å; F1164-Y1166 HydrophobicContact CE1-CD1 4.16Å; F1164-Y1166 HydrophobicContact CE1-CE1 4.08Å; F1164-Y1166 HydrophobicContact CG-CE2 4.25Å; F1164-Y1166 WeakPolarHBondContact O-CD2 3.36Å |
| 1165 | D | 86.4 | Confident | 84.2 | Confident | 96 Ų | 96 | 70 Ų | 70 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | trans | -84.3 | 114.1 | 177.2 | 179.3 | 12.6 | 0 | 0 | 0 | 110.7 | Q1167 | D1165-Q1167 VanDerWaalsContact OD1-CB 3.24Å; D1165-Q1167 WeakPolarHBondContact OD1-CB 3.27Å; D1165-Q1167 WeakPolarHBondContact OD1-CG 3.47Å; D1165-Q1167 PolarHBondContact OD1-N 2.84Å | ||
| 1166 | Y | 88 | Confident | 84.2 | Confident | 25 Ų | 25 | 65.9 Ų | 65.9 | 10% | 0.098 | 35% | 0.345 | C | S | . | . | trans | -100.2 | 1.8 | 178.4 | -69.4 | -83.7 | 0 | 0 | 0 | 113.6 | T1093 F1164 H1168 E1169 E1426 | T1093-Y1166 HydrophobicContact CG2-CE1 4.21Å; T1093-Y1166 VanDerWaalsContact CG2-OH 3.32Å; T1093-Y1166 WeakPolarHBondContact CG2-OH 3.25Å; T1093-Y1166 PolarHBondContact OG1-OH 2.97Å; F1164-Y1166 HydrophobicContact CB-CD2 4.47Å; F1164-Y1166 HydrophobicContact CB-CE2 3.89Å; F1164-Y1166 AromaticContact CD1-CD1 3.92Å; F1164-Y1166 HydrophobicContact CD1-CD1 3.92Å; F1164-Y1166 AromaticContact CD1-CD2 3.91Å; F1164-Y1166 HydrophobicContact CD1-CD2 3.91Å; F1164-Y1166 AromaticContact CD1-CE1 3.74Å; F1164-Y1166 HydrophobicContact CD1-CE1 3.74Å; F1164-Y1166 AromaticContact CD1-CE2 3.72Å; F1164-Y1166 HydrophobicContact CD1-CE2 3.72Å; F1164-Y1166 HydrophobicContact CD1-CG 4.01Å; F1164-Y1166 AromaticContact CD1-CZ 3.64Å; F1164-Y1166 HydrophobicContact CE1-CD1 4.16Å; F1164-Y1166 HydrophobicContact CE1-CE1 4.08Å; F1164-Y1166 HydrophobicContact CG-CE2 4.25Å; F1164-Y1166 WeakPolarHBondContact O-CD2 3.36Å; Y1166-H1168 PolarHBondContact O-N 3.11Å; Y1166-E1169 HydrophobicContact CD1-CG 3.84Å; Y1166-E1169 PolarHBondContact O-N 3.37Å; Y1166-E1426 HydrophobicContact CD1-CB 3.85Å; Y1166-E1426 HydrophobicContact CE1-CB 4.49Å; Y1166-E1426 HydrophobicContact CG-CB 4.4Å | ||
| 1167 | Q | 80.2 | Confident | 84.1 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.5 | -167.6 | -75.4 | -177 | -2.2 | 0 | 0 | 114.4 | D1165 | D1165-Q1167 VanDerWaalsContact OD1-CB 3.24Å; D1165-Q1167 WeakPolarHBondContact OD1-CB 3.27Å; D1165-Q1167 WeakPolarHBondContact OD1-CG 3.47Å; D1165-Q1167 PolarHBondContact OD1-N 2.84Å |
| 1168 | H | 86.4 | Confident | 84.1 | Confident | 103 Ų | 103 | 72.5 Ų | 72.5 | 48% | 0.477 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 22.2 | -171.7 | -55.5 | 94.3 | 0 | 0 | 0 | 113.4 | Y1166 D1170 C1171 T1172 | Y1166-H1168 PolarHBondContact O-N 3.11Å; H1168-D1170 VanDerWaalsContact C-N 3.26Å; H1168-D1170 PolarHBondContact O-N 3.07Å; H1168-C1171 PolarHBondContact O-N 3.38Å; H1168-C1171 VanDerWaalsContact O-N 3.08Å; H1168-T1172 PolarHBondContact O-N 3.48Å; H1168-T1172 PolarHBondContact O-OG1 3.05Å |
| 1169 | E | 89.6 | Confident | 84.4 | Confident | 7 Ų | 7 | 72.2 Ų | 72.2 | 3% | 0.033 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.9 | -28.9 | -179.5 | -80.2 | -62.2 | 136.2 | 0 | 0 | 114 | R1120 Y1166 C1171 G1173 A1176 E1426 | R1120-E1169 IonicContact CZ-OE1 3.13Å; R1120-E1169 IonicContact CZ-OE2 2.67Å; R1120-E1169 IonicContact NH1-OE1 3.99Å; R1120-E1169 PolarHBondContact NH1-OE1 2.94Å; R1120-E1169 IonicContact NH1-OE2 3.96Å; R1120-E1169 PolarHBondContact NH1-OE2 3.23Å; R1120-E1169 IonicContact NH2-OE1 2.87Å; R1120-E1169 PolarHBondContact NH2-OE1 2.76Å; R1120-E1169 IonicContact NH2-OE2 3.77Å; Y1166-E1169 HydrophobicContact CD1-CG 3.84Å; Y1166-E1169 PolarHBondContact O-N 3.37Å; E1169-C1171 VanDerWaalsContact C-N 3.28Å; E1169-G1173 VanDerWaalsContact O-CA 3.29Å; E1169-G1173 WeakPolarHBondContact O-CA 3.29Å; E1169-G1173 PolarHBondContact O-N 3.04Å; E1169-G1173 VanDerWaalsContact OE2-CA 3.24Å; E1169-G1173 WeakPolarHBondContact OE2-CA 3.5Å; E1169-A1176 WeakPolarHBondContact O-CB 3.29Å; E1169-E1426 VanDerWaalsContact CB-CD 3.46Å; E1169-E1426 HydrophobicContact CB-CG 4.06Å; E1169-E1426 WeakPolarHBondContact CB-OE1 3.24Å; E1169-E1426 HydrophobicContact CG-CG 4.29Å |
| 1170 | D | 90 | Very high | 84.9 | Confident | 34 Ų | 34 | 73.5 Ų | 73.5 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.3 | -22.6 | 174 | 62.2 | -33.2 | 0 | 0 | 0 | 113.2 | H1168 A1176 N1370 | H1168-D1170 VanDerWaalsContact C-N 3.26Å; H1168-D1170 PolarHBondContact O-N 3.07Å; D1170-A1176 WeakPolarHBondContact O-CB 3.48Å; D1170-N1370 HydrophobicContact CB-CB 4.28Å; D1170-N1370 PolarHBondContact OD1-ND2 3.49Å; D1170-N1370 PolarHBondContact OD2-N 2.81Å |
| 1171 | C | 88.6 | Confident | 85.6 | Confident | 64 Ų | 64 | 70.4 Ų | 70.4 | 43% | 0.432 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -100.2 | -36.3 | 177.5 | -58.3 | 0 | 0 | 0 | 0 | 113.4 | H1168 E1169 R1180 | H1168-C1171 PolarHBondContact O-N 3.38Å; H1168-C1171 VanDerWaalsContact O-N 3.08Å; E1169-C1171 VanDerWaalsContact C-N 3.28Å; C1171-R1180 PolarHBondContact O-NH1 3.38Å; C1171-R1180 PolarHBondContact O-NH2 3.25Å |
| 1172 | T | 86.5 | Confident | 86.3 | Confident | 99 Ų | 99 | 69.2 Ų | 69.2 | 61% | 0.607 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -130.9 | -2.6 | -167.3 | 60.4 | 0 | 0 | 0 | 0 | 114 | H1168 | H1168-T1172 PolarHBondContact O-N 3.48Å; H1168-T1172 PolarHBondContact O-OG1 3.05Å |
| 1173 | G | 86.3 | Confident | 87.1 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -78.9 | 161.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | E1169 S1175 A1176 D1177 | E1169-G1173 VanDerWaalsContact O-CA 3.29Å; E1169-G1173 WeakPolarHBondContact O-CA 3.29Å; E1169-G1173 PolarHBondContact O-N 3.04Å; E1169-G1173 VanDerWaalsContact OE2-CA 3.24Å; E1169-G1173 WeakPolarHBondContact OE2-CA 3.5Å; G1173-S1175 PolarHBondContact O-N 3.08Å; G1173-A1176 WeakPolarHBondContact O-CB 3.49Å; G1173-A1176 PolarHBondContact O-N 3.49Å; G1173-D1177 PolarHBondContact O-N 2.93Å |
| 1174 | P | 87.4 | Confident | 87.3 | Confident | 53 Ų | 53 | 61.2 Ų | 61.2 | 34% | 0.344 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.9 | -31.9 | 172.8 | -19.8 | 28.8 | 0 | 0 | 0 | 113.2 | A1090 R1120 D1177 R1178 | A1090-P1174 HydrophobicContact CB-CB 4.37Å; A1090-P1174 HydrophobicContact CB-CG 4.03Å; R1120-P1174 VanDerWaalsContact CD-CG 3.42Å; R1120-P1174 VanDerWaalsContact CZ-CD 3.43Å; P1174-D1177 PolarHBondContact O-N 3.06Å; P1174-R1178 VanDerWaalsContact O-CB 3.27Å; P1174-R1178 WeakPolarHBondContact O-CB 3.29Å; P1174-R1178 PolarHBondContact O-N 3.23Å |
| 1175 | S | 88.7 | Confident | 86.9 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 12% | 0.119 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 175.4 | 61.1 | 0 | 0 | 0 | 0 | 111.3 | G1173 R1178 W1179 R1420 V1421 | G1173-S1175 PolarHBondContact O-N 3.08Å; S1175-R1178 PolarHBondContact O-N 3.45Å; S1175-W1179 WeakPolarHBondContact O-CB 3.38Å; S1175-W1179 PolarHBondContact O-N 3.21Å; S1175-R1420 PolarHBondContact OG-NH1 3.22Å; S1175-R1420 VanDerWaalsContact OG-NH1 3.12Å; S1175-V1421 WeakPolarHBondContact CB-O 3.38Å |
| 1176 | A | 90 | Very high | 86.6 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | E1169 D1170 G1173 R1178 W1179 R1180 | E1169-A1176 WeakPolarHBondContact O-CB 3.29Å; D1170-A1176 WeakPolarHBondContact O-CB 3.48Å; G1173-A1176 WeakPolarHBondContact O-CB 3.49Å; G1173-A1176 PolarHBondContact O-N 3.49Å; A1176-R1178 PolarHBondContact O-N 2.92Å; A1176-W1179 PolarHBondContact O-N 3.43Å; A1176-R1180 WeakPolarHBondContact O-CG 3.29Å; A1176-R1180 PolarHBondContact O-N 3.32Å |
| 1177 | D | 89.4 | Confident | 86.3 | Confident | 80 Ų | 80 | 62 Ų | 62 | 43% | 0.428 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 175.8 | -73.7 | -18.2 | 0 | 0 | 0 | 112 | G1173 P1174 W1179 R1180 L1181 | G1173-D1177 PolarHBondContact O-N 2.93Å; P1174-D1177 PolarHBondContact O-N 3.06Å; D1177-W1179 VanDerWaalsContact C-N 3.33Å; D1177-W1179 PolarHBondContact O-N 2.88Å; D1177-R1180 PolarHBondContact O-N 3.48Å; D1177-R1180 IonicContact OD1-CZ 3.9Å; D1177-R1180 IonicContact OD1-NH1 3.21Å; D1177-R1180 PolarHBondContact OD1-NH1 3.21Å; D1177-L1181 WeakPolarHBondContact O-CG 3.45Å; D1177-L1181 PolarHBondContact O-N 3.36Å |
| 1178 | R | 87.8 | Confident | 86.3 | Confident | 100 Ų | 100 | 62 Ų | 62 | 38% | 0.377 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 176.3 | -171.8 | 62.3 | 172.3 | 165.9 | 3.4 | 111.6 | P1174 S1175 A1176 L1181 L1182 E1402 | P1174-R1178 VanDerWaalsContact O-CB 3.27Å; P1174-R1178 WeakPolarHBondContact O-CB 3.29Å; P1174-R1178 PolarHBondContact O-N 3.23Å; S1175-R1178 PolarHBondContact O-N 3.45Å; A1176-R1178 PolarHBondContact O-N 2.92Å; R1178-L1181 PolarHBondContact O-N 3.13Å; R1178-L1182 HydrophobicContact CG-CD1 4.32Å; R1178-L1182 VanDerWaalsContact O-CG 3.31Å; R1178-L1182 WeakPolarHBondContact O-CG 3.42Å; R1178-L1182 PolarHBondContact O-N 3.28Å; R1178-E1402 IonicContact CZ-OE1 2.76Å; R1178-E1402 IonicContact NH1-OE1 3.83Å; R1178-E1402 IonicContact NH2-OE1 3.75Å; R1178-E1402 PolarHBondContact NH2-OE1 2.85Å |
| 1179 | W | 90.5 | Very high | 86.1 | Confident | 75 Ų | 75 | 63.2 Ų | 63.2 | 28% | 0.284 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 175.1 | 179 | 84.1 | 0 | 0 | 0 | 111.5 | S1175 A1176 D1177 L1181 L1182 S1183 P1368 V1418 R1420 | S1175-W1179 WeakPolarHBondContact O-CB 3.38Å; S1175-W1179 PolarHBondContact O-N 3.21Å; A1176-W1179 PolarHBondContact O-N 3.43Å; D1177-W1179 VanDerWaalsContact C-N 3.33Å; D1177-W1179 PolarHBondContact O-N 2.88Å; W1179-L1181 VanDerWaalsContact C-N 3.35Å; W1179-L1181 PolarHBondContact O-N 3.39Å; W1179-L1182 PolarHBondContact O-N 3.19Å; W1179-L1182 VanDerWaalsContact O-N 3.17Å; W1179-S1183 WeakPolarHBondContact O-CB 3.36Å; W1179-S1183 PolarHBondContact O-N 2.82Å; W1179-S1183 PolarHBondContact O-OG 3.27Å; W1179-S1183 VanDerWaalsContact O-OG 3.04Å; W1179-P1368 HydrophobicContact CD2-CB 4.44Å; W1179-P1368 HydrophobicContact CZ2-CB 4.37Å; W1179-P1368 HydrophobicContact CZ2-CG 3.99Å; W1179-V1418 HydrophobicContact CG-CG1 4.49Å; W1179-V1418 PolarHBondContact NE1-O 3.37Å; W1179-R1420 HydrophobicContact CB-CB 4Å; W1179-R1420 HydrophobicContact CB-CG 4.14Å; W1179-R1420 HydrophobicContact CG-CB 3.99Å |
| 1180 | R | 89.4 | Confident | 85.9 | Confident | 114 Ų | 114 | 64.1 Ų | 64.1 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.9 | -44.8 | 175.4 | -70.8 | 170.4 | -171.8 | 131.2 | 4.6 | 112.6 | C1171 A1176 D1177 L1182 S1183 G1184 | C1171-R1180 PolarHBondContact O-NH1 3.38Å; C1171-R1180 PolarHBondContact O-NH2 3.25Å; A1176-R1180 WeakPolarHBondContact O-CG 3.29Å; A1176-R1180 PolarHBondContact O-N 3.32Å; D1177-R1180 PolarHBondContact O-N 3.48Å; D1177-R1180 IonicContact OD1-CZ 3.9Å; D1177-R1180 IonicContact OD1-NH1 3.21Å; D1177-R1180 PolarHBondContact OD1-NH1 3.21Å; R1180-L1182 VanDerWaalsContact C-N 3.32Å; R1180-L1182 PolarHBondContact O-N 2.67Å; R1180-S1183 PolarHBondContact O-N 2.68Å; R1180-G1184 PolarHBondContact O-N 3.08Å |
| 1181 | L | 87.2 | Confident | 85.4 | Confident | 124 Ų | 124 | 67.7 Ų | 67.7 | 65% | 0.649 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.5 | -40.7 | 177.3 | -72.5 | 171.9 | 0 | 0 | 0 | 111.9 | D1177 R1178 W1179 | D1177-L1181 WeakPolarHBondContact O-CG 3.45Å; D1177-L1181 PolarHBondContact O-N 3.36Å; R1178-L1181 PolarHBondContact O-N 3.13Å; W1179-L1181 VanDerWaalsContact C-N 3.35Å; W1179-L1181 PolarHBondContact O-N 3.39Å |
| 1182 | L | 88 | Confident | 85.1 | Confident | 19 Ų | 19 | 67.9 Ų | 67.9 | 10% | 0.099 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -71.7 | -36.2 | 177.5 | -69.1 | 171.3 | 0 | 0 | 0 | 112.4 | R1178 W1179 R1180 G1184 G1185 L1401 E1402 A1405 V1418 | R1178-L1182 HydrophobicContact CG-CD1 4.32Å; R1178-L1182 VanDerWaalsContact O-CG 3.31Å; R1178-L1182 WeakPolarHBondContact O-CG 3.42Å; R1178-L1182 PolarHBondContact O-N 3.28Å; W1179-L1182 PolarHBondContact O-N 3.19Å; W1179-L1182 VanDerWaalsContact O-N 3.17Å; R1180-L1182 VanDerWaalsContact C-N 3.32Å; R1180-L1182 PolarHBondContact O-N 2.67Å; L1182-G1184 PolarHBondContact O-N 3.05Å; L1182-G1185 PolarHBondContact O-N 3.47Å; L1182-L1401 HydrophobicContact CD1-CB 4.08Å; L1182-E1402 HydrophobicContact CD2-CB 4.36Å; L1182-E1402 HydrophobicContact CD2-CG 3.84Å; L1182-A1405 HydrophobicContact CB-CB 4.22Å; L1182-A1405 HydrophobicContact CD2-CB 4.28Å; L1182-V1418 HydrophobicContact CB-CG1 3.72Å |
| 1183 | S | 85.8 | Confident | 85.2 | Confident | 60 Ų | 60 | 63.6 Ų | 63.6 | 42% | 0.42 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.4 | -27.6 | 176.8 | -67 | 0 | 0 | 0 | 0 | 113.1 | W1179 R1180 G1185 | W1179-S1183 WeakPolarHBondContact O-CB 3.36Å; W1179-S1183 PolarHBondContact O-N 2.82Å; W1179-S1183 PolarHBondContact O-OG 3.27Å; W1179-S1183 VanDerWaalsContact O-OG 3.04Å; R1180-S1183 PolarHBondContact O-N 2.68Å; S1183-G1185 PolarHBondContact O-N 3.47Å |
| 1184 | G | 81 | Confident | 85 | Confident | 68 Ų | 68 | 68 Ų | 68 | 70% | 0.701 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -13 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1180 L1182 | R1180-G1184 PolarHBondContact O-N 3.08Å; L1182-G1184 PolarHBondContact O-N 3.05Å |
| 1185 | G | 78.6 | Confident | 84.9 | Confident | 42 Ų | 42 | 67.6 Ų | 67.6 | 43% | 0.433 | 40% | 0.398 | S | S | . | . | trans | 72.2 | 171.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | L1182 S1183 | L1182-G1185 PolarHBondContact O-N 3.47Å; S1183-G1185 PolarHBondContact O-N 3.47Å | ||
| 1186 | P | 80.1 | Confident | 84.9 | Confident | 39 Ų | 39 | 68.1 Ų | 68.1 | 25% | 0.253 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -67 | 149.8 | 173.2 | 31.5 | -36.8 | 0 | 0 | 0 | 110.6 | P1188 V1192 D1193 Y1196 | P1186-P1188 WeakPolarHBondContact O-CD 3.41Å; P1186-P1188 VanDerWaalsContact O-N 3.16Å; P1186-V1192 HydrophobicContact CB-CG1 4.32Å; P1186-D1193 HydrophobicContact CB-CB 4.01Å; P1186-D1193 HydrophobicContact CG-CB 3.8Å; P1186-Y1196 HydrophobicContact CG-CD2 4.12Å |
| 1187 | V | 80.9 | Confident | 84.7 | Confident | 108 Ų | 108 | 73.4 Ų | 73.4 | 66% | 0.655 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 123.4 | 174.6 | 179.2 | 0 | 0 | 0 | 0 | 109.2 | L1189 S1190 D1193 | V1187-L1189 PolarHBondContact O-N 2.96Å; V1187-S1190 WeakPolarHBondContact O-CB 3.48Å; V1187-S1190 PolarHBondContact O-N 3.43Å; V1187-S1190 PolarHBondContact O-OG 3.17Å; V1187-D1193 WeakPolarHBondContact O-CB 3.21Å |
| 1188 | P | 80.7 | Confident | 84.6 | Confident | 96 Ų | 96 | 76.8 Ų | 76.8 | 62% | 0.623 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 136.7 | -177.6 | -27.4 | 34.1 | 0 | 0 | 0 | 111.8 | P1186 S1190 | P1186-P1188 WeakPolarHBondContact O-CD 3.41Å; P1186-P1188 VanDerWaalsContact O-N 3.16Å; P1188-S1190 PolarHBondContact O-N 2.95Å; P1188-S1190 VanDerWaalsContact O-N 3.16Å |
| 1189 | L | 81.2 | Confident | 84.5 | Confident | 128 Ų | 128 | 76.1 Ų | 76.1 | 67% | 0.67 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 6.2 | -178.6 | -55.8 | 167.5 | 0 | 0 | 0 | 115.6 | V1187 D1193 | V1187-L1189 PolarHBondContact O-N 2.96Å; L1189-D1193 PolarHBondContact N-OD2 2.81Å |
| 1190 | S | 85.9 | Confident | 84.3 | Confident | 25 Ų | 25 | 77 Ų | 77 | 18% | 0.175 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -64.3 | 156.7 | 168 | 66 | 0 | 0 | 0 | 0 | 111.1 | V1187 P1188 V1192 D1193 L1194 | V1187-S1190 WeakPolarHBondContact O-CB 3.48Å; V1187-S1190 PolarHBondContact O-N 3.43Å; V1187-S1190 PolarHBondContact O-OG 3.17Å; P1188-S1190 PolarHBondContact O-N 2.95Å; P1188-S1190 VanDerWaalsContact O-N 3.16Å; S1190-V1192 PolarHBondContact O-N 3.09Å; S1190-V1192 VanDerWaalsContact O-N 3.09Å; S1190-D1193 PolarHBondContact O-N 3.34Å; S1190-D1193 VanDerWaalsContact O-N 3.07Å; S1190-D1193 PolarHBondContact OG-N 2.79Å; S1190-D1193 VanDerWaalsContact OG-N 3.15Å; S1190-L1194 PolarHBondContact O-N 3.36Å |
| 1191 | P | 80.2 | Confident | 84 | Confident | 110 Ų | 110 | 79.4 Ų | 79.4 | 71% | 0.714 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -52.5 | -32.9 | 174.2 | -27.7 | 35.2 | 0 | 0 | 0 | 113.2 | A1195 | P1191-A1195 WeakPolarHBondContact O-CB 3.45Å; P1191-A1195 PolarHBondContact O-N 2.89Å |
| 1192 | V | 82.4 | Confident | 83.8 | Confident | 68 Ų | 68 | 74.5 Ų | 74.5 | 41% | 0.412 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -71.6 | -46.9 | 176.9 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | P1186 S1190 L1194 A1195 Y1196 | P1186-V1192 HydrophobicContact CB-CG1 4.32Å; S1190-V1192 PolarHBondContact O-N 3.09Å; S1190-V1192 VanDerWaalsContact O-N 3.09Å; V1192-L1194 VanDerWaalsContact C-N 3.35Å; V1192-L1194 PolarHBondContact O-N 3Å; V1192-A1195 PolarHBondContact O-N 2.89Å; V1192-Y1196 HydrophobicContact CG1-CD2 3.94Å; V1192-Y1196 HydrophobicContact CG1-CE1 4.26Å; V1192-Y1196 HydrophobicContact CG1-CE2 3.4Å; V1192-Y1196 PolarHBondContact O-N 3.44Å |
| 1193 | D | 86.8 | Confident | 83.6 | Confident | 9 Ų | 9 | 75.1 Ų | 75.1 | 5% | 0.048 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60 | -44.3 | 175.1 | 177.5 | 38.6 | 0 | 0 | 0 | 111.4 | P1186 V1187 L1189 S1190 A1195 Y1196 R1197 | P1186-D1193 HydrophobicContact CB-CB 4.01Å; P1186-D1193 HydrophobicContact CG-CB 3.8Å; V1187-D1193 WeakPolarHBondContact O-CB 3.21Å; L1189-D1193 PolarHBondContact N-OD2 2.81Å; S1190-D1193 PolarHBondContact O-N 3.34Å; S1190-D1193 VanDerWaalsContact O-N 3.07Å; S1190-D1193 PolarHBondContact OG-N 2.79Å; S1190-D1193 VanDerWaalsContact OG-N 3.15Å; D1193-A1195 PolarHBondContact O-N 3.21Å; D1193-Y1196 PolarHBondContact O-N 2.9Å; D1193-R1197 VanDerWaalsContact CG-NE 3.32Å; D1193-R1197 WeakPolarHBondContact O-CB 3.37Å; D1193-R1197 VanDerWaalsContact O-CG 3.31Å; D1193-R1197 WeakPolarHBondContact O-CG 3.26Å; D1193-R1197 PolarHBondContact O-N 3.37Å; D1193-R1197 IonicContact OD1-CZ 3.19Å; D1193-R1197 IonicContact OD1-NE 3.1Å; D1193-R1197 PolarHBondContact OD1-NE 2.93Å; D1193-R1197 VanDerWaalsContact OD1-NE 3.13Å; D1193-R1197 IonicContact OD1-NH2 2.86Å; D1193-R1197 IonicContact OD2-CZ 3.75Å; D1193-R1197 IonicContact OD2-NE 3.74Å; D1193-R1197 PolarHBondContact OD2-NE 3.46Å; D1193-R1197 IonicContact OD2-NH2 3.84Å; D1193-R1197 PolarHBondContact OD2-NH2 3.41Å |
| 1194 | L | 83.7 | Confident | 83.3 | Confident | 93 Ų | 93 | 80 Ų | 80 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 176.3 | -72.3 | 169.5 | 0 | 0 | 0 | 112 | S1190 V1192 R1197 F1198 | S1190-L1194 PolarHBondContact O-N 3.36Å; V1192-L1194 VanDerWaalsContact C-N 3.35Å; V1192-L1194 PolarHBondContact O-N 3Å; L1194-R1197 PolarHBondContact O-N 2.88Å; L1194-F1198 WeakPolarHBondContact O-CB 3.37Å; L1194-F1198 PolarHBondContact O-N 3.2Å |
| 1195 | A | 84.6 | Confident | 83.2 | Confident | 44 Ų | 44 | 82.4 Ų | 82.4 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P1191 V1192 D1193 F1198 M1199 | P1191-A1195 WeakPolarHBondContact O-CB 3.45Å; P1191-A1195 PolarHBondContact O-N 2.89Å; V1192-A1195 PolarHBondContact O-N 2.89Å; D1193-A1195 PolarHBondContact O-N 3.21Å; A1195-F1198 PolarHBondContact O-N 2.95Å; A1195-M1199 WeakPolarHBondContact O-CG 3.1Å; A1195-M1199 PolarHBondContact O-N 2.87Å |
| 1196 | Y | 87.6 | Confident | 83.2 | Confident | 27 Ų | 27 | 84.3 Ų | 84.3 | 11% | 0.106 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69 | -38.5 | 177.6 | -64.6 | -18.7 | 0 | 0 | 0 | 112.7 | P1186 V1192 D1193 F1198 M1199 R1200 E1402 M1403 V1407 | P1186-Y1196 HydrophobicContact CG-CD2 4.12Å; V1192-Y1196 HydrophobicContact CG1-CD2 3.94Å; V1192-Y1196 HydrophobicContact CG1-CE1 4.26Å; V1192-Y1196 HydrophobicContact CG1-CE2 3.4Å; V1192-Y1196 PolarHBondContact O-N 3.44Å; D1193-Y1196 PolarHBondContact O-N 2.9Å; Y1196-F1198 VanDerWaalsContact C-N 3.32Å; Y1196-F1198 PolarHBondContact O-N 3.38Å; Y1196-M1199 HydrophobicContact CD1-SD 4.36Å; Y1196-M1199 PolarHBondContact O-N 3.21Å; Y1196-R1200 WeakPolarHBondContact O-CG 3.23Å; Y1196-R1200 PolarHBondContact O-N 2.98Å; Y1196-E1402 WeakPolarHBondContact CE2-O 3.42Å; Y1196-E1402 WeakPolarHBondContact OH-CB 3.44Å; Y1196-M1403 HydrophobicContact CE1-CB 4.47Å; Y1196-V1407 HydrophobicContact CD1-CG2 3.75Å; Y1196-V1407 HydrophobicContact CE1-CG2 4.49Å; Y1196-V1407 HydrophobicContact CG-CG2 3.96Å |
| 1197 | R | 86.6 | Confident | 82.9 | Confident | 113 Ų | 113 | 82.4 Ų | 82.4 | 43% | 0.426 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 171.3 | -74.9 | 174.7 | -170.8 | -143 | 5.9 | 111.8 | D1193 L1194 R1200 K1201 | D1193-R1197 VanDerWaalsContact CG-NE 3.32Å; D1193-R1197 WeakPolarHBondContact O-CB 3.37Å; D1193-R1197 VanDerWaalsContact O-CG 3.31Å; D1193-R1197 WeakPolarHBondContact O-CG 3.26Å; D1193-R1197 PolarHBondContact O-N 3.37Å; D1193-R1197 IonicContact OD1-CZ 3.19Å; D1193-R1197 IonicContact OD1-NE 3.1Å; D1193-R1197 PolarHBondContact OD1-NE 2.93Å; D1193-R1197 VanDerWaalsContact OD1-NE 3.13Å; D1193-R1197 IonicContact OD1-NH2 2.86Å; D1193-R1197 IonicContact OD2-CZ 3.75Å; D1193-R1197 IonicContact OD2-NE 3.74Å; D1193-R1197 PolarHBondContact OD2-NE 3.46Å; D1193-R1197 IonicContact OD2-NH2 3.84Å; D1193-R1197 PolarHBondContact OD2-NH2 3.41Å; L1194-R1197 PolarHBondContact O-N 2.88Å; R1197-R1200 PolarHBondContact O-N 3.48Å; R1197-K1201 PolarHBondContact O-N 3.15Å |
| 1198 | F | 87.7 | Confident | 82.8 | Confident | 151 Ų | 151 | 81.8 Ų | 81.8 | 66% | 0.662 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.8 | -47.1 | 175.4 | 176.7 | -96.6 | 0 | 0 | 0 | 111.2 | L1194 A1195 Y1196 R1200 K1201 A1202 | L1194-F1198 WeakPolarHBondContact O-CB 3.37Å; L1194-F1198 PolarHBondContact O-N 3.2Å; A1195-F1198 PolarHBondContact O-N 2.95Å; Y1196-F1198 VanDerWaalsContact C-N 3.32Å; Y1196-F1198 PolarHBondContact O-N 3.38Å; F1198-R1200 PolarHBondContact O-N 3.42Å; F1198-K1201 PolarHBondContact O-N 2.86Å; F1198-A1202 WeakPolarHBondContact O-CB 3.09Å; F1198-A1202 PolarHBondContact O-N 3.47Å |
| 1199 | M | 86 | Confident | 82.9 | Confident | 85 Ų | 85 | 80.7 Ų | 80.7 | 42% | 0.419 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | 176 | -74.6 | -177.8 | -179.7 | 0 | 0 | 112.3 | A1195 Y1196 K1201 A1202 M1203 V1407 | A1195-M1199 WeakPolarHBondContact O-CG 3.1Å; A1195-M1199 PolarHBondContact O-N 2.87Å; Y1196-M1199 HydrophobicContact CD1-SD 4.36Å; Y1196-M1199 PolarHBondContact O-N 3.21Å; M1199-K1201 PolarHBondContact O-N 3.48Å; M1199-A1202 PolarHBondContact O-N 3.01Å; M1199-M1203 WeakPolarHBondContact O-CB 3.39Å; M1199-M1203 WeakPolarHBondContact O-CG 3.38Å; M1199-M1203 PolarHBondContact O-N 3.05Å; M1199-V1407 HydrophobicContact CB-CG1 3.98Å; M1199-V1407 HydrophobicContact CB-CG2 4Å; M1199-V1407 HydrophobicContact SD-CG2 4.12Å |
| 1200 | R | 86.2 | Confident | 83.1 | Confident | 95 Ų | 95 | 74.6 Ų | 74.6 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 175.7 | -71.1 | -171 | -59.4 | -92.3 | 9.8 | 112 | Y1196 R1197 F1198 M1203 K1204 G1406 V1407 | Y1196-R1200 WeakPolarHBondContact O-CG 3.23Å; Y1196-R1200 PolarHBondContact O-N 2.98Å; R1197-R1200 PolarHBondContact O-N 3.48Å; F1198-R1200 PolarHBondContact O-N 3.42Å; R1200-M1203 PolarHBondContact O-N 3.47Å; R1200-K1204 PolarHBondContact O-N 2.97Å; R1200-G1406 PolarHBondContact NH1-O 3.19Å; R1200-V1407 HydrophobicContact CG-CB 4.47Å; R1200-V1407 HydrophobicContact CG-CG1 4.11Å |
| 1201 | K | 82.7 | Confident | 83.1 | Confident | 163 Ų | 163 | 75.5 Ų | 75.5 | 71% | 0.709 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 174.3 | -85.6 | -173.2 | 174.7 | -177.2 | 0 | 112 | R1197 F1198 M1199 K1204 L1205 | R1197-K1201 PolarHBondContact O-N 3.15Å; F1198-K1201 PolarHBondContact O-N 2.86Å; M1199-K1201 PolarHBondContact O-N 3.48Å; K1201-K1204 PolarHBondContact O-N 3.17Å; K1201-L1205 WeakPolarHBondContact O-CB 3.45Å; K1201-L1205 PolarHBondContact O-N 3.21Å |
| 1202 | A | 82.3 | Confident | 83.3 | Confident | 21 Ų | 21 | 70.3 Ų | 70.3 | 17% | 0.174 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1198 M1199 K1204 L1205 F1206 | F1198-A1202 WeakPolarHBondContact O-CB 3.09Å; F1198-A1202 PolarHBondContact O-N 3.47Å; M1199-A1202 PolarHBondContact O-N 3.01Å; A1202-K1204 VanDerWaalsContact C-N 3.34Å; A1202-K1204 PolarHBondContact O-N 3.33Å; A1202-L1205 PolarHBondContact O-N 3.07Å; A1202-F1206 HydrophobicContact CB-CD2 4.1Å; A1202-F1206 HydrophobicContact CB-CE2 3.96Å; A1202-F1206 WeakPolarHBondContact O-CB 3.11Å; A1202-F1206 WeakPolarHBondContact O-CD2 3.44Å; A1202-F1206 WeakPolarHBondContact O-CG 3.18Å; A1202-F1206 PolarHBondContact O-N 3.36Å |
| 1203 | M | 84.1 | Confident | 83.5 | Confident | 33 Ų | 33 | 67.8 Ų | 67.8 | 16% | 0.163 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 175.1 | -75.4 | 178.1 | 69.2 | 0 | 0 | 112.2 | M1199 R1200 L1205 G1207 L1213 F1221 V1407 L1408 | M1199-M1203 WeakPolarHBondContact O-CB 3.39Å; M1199-M1203 WeakPolarHBondContact O-CG 3.38Å; M1199-M1203 PolarHBondContact O-N 3.05Å; R1200-M1203 PolarHBondContact O-N 3.47Å; M1203-L1205 VanDerWaalsContact C-N 3.32Å; M1203-L1205 PolarHBondContact O-N 3.48Å; M1203-G1207 VanDerWaalsContact O-CA 3.29Å; M1203-G1207 WeakPolarHBondContact O-CA 3.49Å; M1203-G1207 PolarHBondContact O-N 2.95Å; M1203-L1213 HydrophobicContact CE-CD2 3.66Å; M1203-F1221 HydrophobicContact CE-CE1 3.93Å; M1203-F1221 HydrophobicContact CE-CE2 3.87Å; M1203-F1221 HydrophobicContact CE-CZ 3.26Å; M1203-V1407 HydrophobicContact SD-CG1 3.36Å; M1203-V1407 WeakPolarHBondContact SD-CG1 3.28Å; M1203-L1408 HydrophobicContact CE-CD2 3.6Å; M1203-L1408 HydrophobicContact SD-CD2 4.13Å |
| 1204 | K | 80.4 | Confident | 83.5 | Confident | 162 Ų | 162 | 72.3 Ų | 72.3 | 70% | 0.704 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.4 | -36.9 | 175.5 | -166.1 | 173.5 | -175.4 | 174.9 | 0 | 112.5 | R1200 K1201 A1202 | R1200-K1204 PolarHBondContact O-N 2.97Å; K1201-K1204 PolarHBondContact O-N 3.17Å; A1202-K1204 VanDerWaalsContact C-N 3.34Å; A1202-K1204 PolarHBondContact O-N 3.33Å |
| 1205 | L | 77.5 | Confident | 83.6 | Confident | 118 Ų | 118 | 70 Ų | 70 | 62% | 0.618 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -73.3 | -46.1 | 179.2 | -168.6 | 77.7 | 0 | 0 | 0 | 112.3 | K1201 A1202 M1203 T1208 | K1201-L1205 WeakPolarHBondContact O-CB 3.45Å; K1201-L1205 PolarHBondContact O-N 3.21Å; A1202-L1205 PolarHBondContact O-N 3.07Å; M1203-L1205 VanDerWaalsContact C-N 3.32Å; M1203-L1205 PolarHBondContact O-N 3.48Å; L1205-T1208 PolarHBondContact O-OG1 3.47Å |
| 1206 | F | 78.8 | Confident | 83.5 | Confident | 82 Ų | 82 | 67.9 Ų | 67.9 | 36% | 0.36 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -87.3 | -20.3 | -175.6 | -59.4 | -52.2 | 0 | 0 | 0 | 113.5 | A1202 T1208 H1209 S1210 F1241 | A1202-F1206 HydrophobicContact CB-CD2 4.1Å; A1202-F1206 HydrophobicContact CB-CE2 3.96Å; A1202-F1206 WeakPolarHBondContact O-CB 3.11Å; A1202-F1206 WeakPolarHBondContact O-CD2 3.44Å; A1202-F1206 WeakPolarHBondContact O-CG 3.18Å; A1202-F1206 PolarHBondContact O-N 3.36Å; F1206-T1208 PolarHBondContact O-N 3.41Å; F1206-H1209 PolarHBondContact O-N 3.21Å; F1206-H1209 VanDerWaalsContact O-N 3.08Å; F1206-S1210 PolarHBondContact O-N 2.82Å; F1206-F1241 HydrophobicContact CB-CE1 4.35Å; F1206-F1241 AromaticContact CD1-CE1 3.59Å; F1206-F1241 HydrophobicContact CD1-CE1 3.59Å; F1206-F1241 AromaticContact CD1-CZ 3.6Å; F1206-F1241 HydrophobicContact CD1-CZ 3.6Å; F1206-F1241 HydrophobicContact CE1-CE1 4.22Å; F1206-F1241 AromaticContact CE1-CZ 3.84Å; F1206-F1241 HydrophobicContact CE1-CZ 3.84Å; F1206-F1241 HydrophobicContact CG-CE1 4.21Å; F1206-F1241 HydrophobicContact CG-CZ 4.21Å |
| 1207 | G | 73.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -19.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | M1203 H1209 S1210 H1214 | M1203-G1207 VanDerWaalsContact O-CA 3.29Å; M1203-G1207 WeakPolarHBondContact O-CA 3.49Å; M1203-G1207 PolarHBondContact O-N 2.95Å; G1207-H1209 PolarHBondContact O-N 2.84Å; G1207-S1210 PolarHBondContact O-N 2.85Å; G1207-H1214 WeakPolarHBondContact O-CB 3.25Å |
| 1208 | T | 79.1 | Confident | 83.1 | Confident | 95 Ų | 95 | 68 Ų | 68 | 58% | 0.583 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20.1 | 171.4 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | L1205 F1206 | L1205-T1208 PolarHBondContact O-OG1 3.47Å; F1206-T1208 PolarHBondContact O-N 3.41Å |
| 1209 | H | 83.9 | Confident | 82.8 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 33% | 0.333 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -17.7 | 177.2 | -65.3 | -71.9 | 0 | 0 | 0 | 113.4 | F1206 G1207 G1237 S1238 N1239 F1241 G1242 | F1206-H1209 PolarHBondContact O-N 3.21Å; F1206-H1209 VanDerWaalsContact O-N 3.08Å; G1207-H1209 PolarHBondContact O-N 2.84Å; H1209-G1237 CarbonylContact O-C 3.56Å; H1209-G1237 VanDerWaalsContact O-CA 3.27Å; H1209-G1237 WeakPolarHBondContact O-CA 3.48Å; H1209-S1238 PolarHBondContact O-N 3.15Å; H1209-S1238 PolarHBondContact O-OG 3.06Å; H1209-N1239 PolarHBondContact ND1-ND2 3.17Å; H1209-F1241 HydrophobicContact CB-CD1 4.45Å; H1209-G1242 WeakPolarHBondContact O-CA 3.44Å |
| 1210 | S | 85.7 | Confident | 82.7 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | trans | -108.5 | 113.5 | -175.2 | 159.4 | 0 | 0 | 0 | 0 | 109.8 | F1206 G1207 G1212 L1213 H1214 D1246 | F1206-S1210 PolarHBondContact O-N 2.82Å; G1207-S1210 PolarHBondContact O-N 2.85Å; S1210-G1212 VanDerWaalsContact C-N 3.26Å; S1210-G1212 PolarHBondContact O-N 3.19Å; S1210-L1213 PolarHBondContact O-N 3.18Å; S1210-L1213 WeakPolarHBondContact OG-CB 3.31Å; S1210-L1213 WeakPolarHBondContact OG-CG 3.31Å; S1210-L1213 PolarHBondContact OG-N 3.43Å; S1210-L1213 VanDerWaalsContact OG-N 3.16Å; S1210-H1214 WeakPolarHBondContact O-CB 3.46Å; S1210-H1214 PolarHBondContact O-N 3.27Å; S1210-D1246 WeakPolarHBondContact CA-OD1 3.43Å; S1210-D1246 VanDerWaalsContact CB-OD1 3.3Å; S1210-D1246 WeakPolarHBondContact CB-OD1 3.18Å; S1210-D1246 PolarHBondContact OG-OD1 3.13Å | ||
| 1211 | S | 85.7 | Confident | 82.7 | Confident | 44 Ų | 44 | 54.5 Ų | 54.5 | 31% | 0.308 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.7 | -36.3 | -178.5 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | L1215 Q1236 D1246 | S1211-L1215 VanDerWaalsContact O-CB 3.29Å; S1211-L1215 WeakPolarHBondContact O-CB 3.41Å; S1211-L1215 PolarHBondContact O-N 3.05Å; S1211-Q1236 PolarHBondContact OG-O 3.39Å; S1211-D1246 PolarHBondContact N-OD1 3.04Å |
| 1212 | G | 84.3 | Confident | 82.7 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.6 | -45.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1210 G1216 Y1229 D1246 | S1210-G1212 VanDerWaalsContact C-N 3.26Å; S1210-G1212 PolarHBondContact O-N 3.19Å; G1212-G1216 PolarHBondContact O-N 3.15Å; G1212-G1216 VanDerWaalsContact O-N 3.13Å; G1212-Y1229 VanDerWaalsContact CA-CE1 3.43Å; G1212-D1246 PolarHBondContact N-OD1 3.21Å; G1212-D1246 VanDerWaalsContact N-OD1 3.13Å |
| 1213 | L | 85.4 | Confident | 82.7 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.2 | -39.5 | 176.7 | -73.7 | 178.1 | 0 | 0 | 0 | 111.9 | M1203 S1210 G1216 M1217 F1221 V1245 Y1249 | M1203-L1213 HydrophobicContact CE-CD2 3.66Å; S1210-L1213 PolarHBondContact O-N 3.18Å; S1210-L1213 WeakPolarHBondContact OG-CB 3.31Å; S1210-L1213 WeakPolarHBondContact OG-CG 3.31Å; S1210-L1213 PolarHBondContact OG-N 3.43Å; S1210-L1213 VanDerWaalsContact OG-N 3.16Å; L1213-G1216 PolarHBondContact O-N 3.29Å; L1213-M1217 WeakPolarHBondContact O-CB 3.39Å; L1213-M1217 WeakPolarHBondContact O-CG 3.38Å; L1213-M1217 PolarHBondContact O-N 3.39Å; L1213-F1221 HydrophobicContact CD2-CE1 4.16Å; L1213-F1221 HydrophobicContact CD2-CZ 4.33Å; L1213-V1245 HydrophobicContact CD1-CG1 3.42Å; L1213-V1245 VanDerWaalsContact CD1-CG1 3.42Å; L1213-V1245 HydrophobicContact CG-CG1 4.32Å; L1213-Y1249 HydrophobicContact CD2-CD2 3.87Å; L1213-Y1249 HydrophobicContact CD2-CE2 4.23Å; L1213-Y1249 HydrophobicContact CD2-CG 4.5Å |
| 1214 | H | 87.4 | Confident | 82.5 | Confident | 104 Ų | 104 | 45.7 Ų | 45.7 | 48% | 0.481 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.9 | -50.2 | 175.6 | -173.3 | -83.3 | 0 | 0 | 0 | 110.8 | G1207 S1210 G1216 M1217 S1218 | G1207-H1214 WeakPolarHBondContact O-CB 3.25Å; S1210-H1214 WeakPolarHBondContact O-CB 3.46Å; S1210-H1214 PolarHBondContact O-N 3.27Å; H1214-G1216 PolarHBondContact O-N 3.44Å; H1214-M1217 PolarHBondContact O-N 2.92Å; H1214-S1218 WeakPolarHBondContact O-CB 3.13Å; H1214-S1218 PolarHBondContact O-N 3.12Å; H1214-S1218 PolarHBondContact O-OG 2.86Å; H1214-S1218 VanDerWaalsContact O-OG 3.13Å |
| 1215 | L | 85.3 | Confident | 82.6 | Confident | 44 Ų | 44 | 38.3 Ų | 38.3 | 23% | 0.23 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | -179.5 | -173 | 63.4 | 0 | 0 | 0 | 112.1 | S1211 M1217 S1218 T1219 S1225 Y1229 | S1211-L1215 VanDerWaalsContact O-CB 3.29Å; S1211-L1215 WeakPolarHBondContact O-CB 3.41Å; S1211-L1215 PolarHBondContact O-N 3.05Å; L1215-M1217 PolarHBondContact O-N 3.23Å; L1215-S1218 PolarHBondContact O-N 3.42Å; L1215-S1218 PolarHBondContact O-OG 3.34Å; L1215-S1218 VanDerWaalsContact O-OG 3.14Å; L1215-T1219 HydrophobicContact CD1-CG2 4.08Å; L1215-T1219 PolarHBondContact O-N 3.02Å; L1215-T1219 PolarHBondContact O-OG1 3.11Å; L1215-S1225 WeakPolarHBondContact CD2-O 3.09Å; L1215-Y1229 HydrophobicContact CD2-CG 4.4Å |
| 1216 | G | 83.4 | Confident | 83 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -35.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1212 L1213 H1214 G1220 F1221 S1226 | G1212-G1216 PolarHBondContact O-N 3.15Å; G1212-G1216 VanDerWaalsContact O-N 3.13Å; L1213-G1216 PolarHBondContact O-N 3.29Å; H1214-G1216 PolarHBondContact O-N 3.44Å; G1216-G1220 CarbonylContact O-C 3.59Å; G1216-G1220 WeakPolarHBondContact O-CA 2.96Å; G1216-G1220 PolarHBondContact O-N 3.19Å; G1216-F1221 VanDerWaalsContact C-CE2 3.5Å; G1216-F1221 WeakPolarHBondContact O-CD2 3.13Å; G1216-F1221 PolarHBondContact O-N 2.99Å; G1216-S1226 WeakPolarHBondContact CA-OG 3.42Å |
| 1217 | M | 82.8 | Confident | 83.4 | Confident | 67 Ų | 67 | 30.4 Ų | 30.4 | 33% | 0.33 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -75.2 | -32.5 | 175.1 | -71.8 | -172.4 | -60 | 0 | 0 | 113.1 | L1213 H1214 L1215 F1221 | L1213-M1217 WeakPolarHBondContact O-CB 3.39Å; L1213-M1217 WeakPolarHBondContact O-CG 3.38Å; L1213-M1217 PolarHBondContact O-N 3.39Å; H1214-M1217 PolarHBondContact O-N 2.92Å; L1215-M1217 PolarHBondContact O-N 3.23Å; M1217-F1221 HydrophobicContact CG-CE2 4.13Å; M1217-F1221 HydrophobicContact CG-CZ 4.08Å |
| 1218 | S | 82.5 | Confident | 83.9 | Confident | 77 Ų | 77 | 30.9 Ų | 30.9 | 54% | 0.538 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -83.2 | -34 | -177.9 | 63.1 | 0 | 0 | 0 | 0 | 113.1 | H1214 L1215 | H1214-S1218 WeakPolarHBondContact O-CB 3.13Å; H1214-S1218 PolarHBondContact O-N 3.12Å; H1214-S1218 PolarHBondContact O-OG 2.86Å; H1214-S1218 VanDerWaalsContact O-OG 3.13Å; L1215-S1218 PolarHBondContact O-N 3.42Å; L1215-S1218 PolarHBondContact O-OG 3.34Å; L1215-S1218 VanDerWaalsContact O-OG 3.14Å |
| 1219 | T | 81.5 | Confident | 84.4 | Confident | 40 Ų | 40 | 26.8 Ų | 26.8 | 25% | 0.245 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -114.5 | -11 | -174.9 | 66 | 0 | 0 | 0 | 0 | 114.2 | L1215 S1223 H1411 | L1215-T1219 HydrophobicContact CD1-CG2 4.08Å; L1215-T1219 PolarHBondContact O-N 3.02Å; L1215-T1219 PolarHBondContact O-OG1 3.11Å; T1219-S1223 WeakPolarHBondContact O-CB 3.4Å; T1219-S1223 PolarHBondContact OG1-OG 3.48Å; T1219-H1411 WeakPolarHBondContact O-CA 3.27Å; T1219-H1411 WeakPolarHBondContact O-CB 3.31Å |
| 1220 | G | 83.8 | Confident | 84.8 | Confident | 4 Ų | 4 | 23.4 Ų | 23.4 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | trans | 97.5 | 144.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G1216 D1222 S1223 S1226 | G1216-G1220 CarbonylContact O-C 3.59Å; G1216-G1220 WeakPolarHBondContact O-CA 2.96Å; G1216-G1220 PolarHBondContact O-N 3.19Å; G1220-D1222 VanDerWaalsContact C-N 3.3Å; G1220-S1223 WeakPolarHBondContact O-CB 3.49Å; G1220-S1223 PolarHBondContact O-N 3.23Å; G1220-S1223 PolarHBondContact O-OG 3.29Å; G1220-S1226 WeakPolarHBondContact O-CB 3.29Å; G1220-S1226 PolarHBondContact O-OG 3.25Å | ||
| 1221 | F | 87 | Confident | 85 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.009 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -21.2 | -179.7 | -75 | -87.7 | 0 | 0 | 0 | 112.6 | M1203 L1213 G1216 M1217 Y1249 W1255 L1408 T1409 W1417 | M1203-F1221 HydrophobicContact CE-CE1 3.93Å; M1203-F1221 HydrophobicContact CE-CE2 3.87Å; M1203-F1221 HydrophobicContact CE-CZ 3.26Å; L1213-F1221 HydrophobicContact CD2-CE1 4.16Å; L1213-F1221 HydrophobicContact CD2-CZ 4.33Å; G1216-F1221 VanDerWaalsContact C-CE2 3.5Å; G1216-F1221 WeakPolarHBondContact O-CD2 3.13Å; G1216-F1221 PolarHBondContact O-N 2.99Å; M1217-F1221 HydrophobicContact CG-CE2 4.13Å; M1217-F1221 HydrophobicContact CG-CZ 4.08Å; F1221-Y1249 HydrophobicContact CD1-CE2 4.01Å; F1221-Y1249 AromaticContact CE1-CE2 3.83Å; F1221-Y1249 HydrophobicContact CE1-CE2 3.83Å; F1221-W1255 HydrophobicContact CB-CH2 4.3Å; F1221-W1255 HydrophobicContact CB-CZ2 4.4Å; F1221-W1255 HydrophobicContact CD1-CZ2 4.13Å; F1221-W1255 VanDerWaalsContact O-CH2 3.26Å; F1221-W1255 WeakPolarHBondContact O-CH2 3.39Å; F1221-L1408 HydrophobicContact CB-CB 4.43Å; F1221-L1408 HydrophobicContact CB-CD1 4.47Å; F1221-L1408 HydrophobicContact CD1-CD2 4.32Å; F1221-L1408 HydrophobicContact CD2-CB 4Å; F1221-L1408 HydrophobicContact CD2-CD2 4.13Å; F1221-L1408 HydrophobicContact CE1-CD2 4.33Å; F1221-L1408 HydrophobicContact CE2-CD2 4.14Å; F1221-L1408 HydrophobicContact CG-CB 4.27Å; F1221-L1408 HydrophobicContact CG-CD1 4.45Å; F1221-L1408 HydrophobicContact CG-CD2 4.22Å; F1221-L1408 HydrophobicContact CZ-CD2 4.25Å; F1221-T1409 PolarHBondContact N-O 3.2Å; F1221-W1417 HydrophobicContact CB-CE3 4.07Å; F1221-W1417 HydrophobicContact CB-CZ3 4.06Å |
| 1222 | D | 82.2 | Confident | 85.1 | Confident | 12 Ų | 12 | 25.5 Ų | 25.5 | 6% | 0.064 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 7.6 | 175.5 | 61.7 | -9.9 | 0 | 0 | 0 | 113.2 | G1220 L1366 S1410 H1411 W1417 | G1220-D1222 VanDerWaalsContact C-N 3.3Å; D1222-L1366 HydrophobicContact CB-CD2 3.81Å; D1222-S1410 VanDerWaalsContact OD1-CA 3.28Å; D1222-S1410 WeakPolarHBondContact OD1-CA 3.21Å; D1222-S1410 WeakPolarHBondContact OD2-CB 3.2Å; D1222-S1410 PolarHBondContact OD2-OG 3.09Å; D1222-H1411 IonicContact OD1-CG 2.67Å; D1222-H1411 PolarHBondContact OD1-N 3.14Å; D1222-H1411 IonicContact OD1-ND1 3.17Å; D1222-H1411 PolarHBondContact OD1-ND1 3.35Å; D1222-H1411 IonicContact OD2-CE1 3.77Å; D1222-H1411 PolarHBondContact OD2-CE1 2.87Å; D1222-H1411 IonicContact OD2-ND1 2.79Å; D1222-H1411 PolarHBondContact OD2-ND1 3.04Å; D1222-W1417 HydrophobicContact CB-CD2 4.3Å; D1222-W1417 HydrophobicContact CB-CH2 4.45Å; D1222-W1417 HydrophobicContact CB-CZ2 3.93Å |
| 1223 | S | 83.2 | Confident | 85.5 | Confident | 11 Ų | 11 | 29.2 Ų | 29.2 | 8% | 0.077 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -74.1 | 154.1 | -179.9 | 77.7 | 0 | 0 | 0 | 0 | 112.8 | T1219 G1220 S1225 S1226 L1227 | T1219-S1223 WeakPolarHBondContact O-CB 3.4Å; T1219-S1223 PolarHBondContact OG1-OG 3.48Å; G1220-S1223 WeakPolarHBondContact O-CB 3.49Å; G1220-S1223 PolarHBondContact O-N 3.23Å; G1220-S1223 PolarHBondContact O-OG 3.29Å; S1223-S1225 PolarHBondContact O-N 3.11Å; S1223-S1226 PolarHBondContact O-N 3.16Å; S1223-S1226 WeakPolarHBondContact OG-CB 3.46Å; S1223-S1226 PolarHBondContact OG-N 3.48Å; S1223-S1226 VanDerWaalsContact OG-N 3.12Å; S1223-S1226 PolarHBondContact OG-OG 3.24Å; S1223-L1227 WeakPolarHBondContact O-CG 3.39Å; S1223-L1227 PolarHBondContact O-N 3.49Å |
| 1224 | G | 79.3 | Confident | 85.7 | Confident | 10 Ų | 10 | 34.6 Ų | 34.6 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.6 | -39.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1227 D1228 | G1224-L1227 PolarHBondContact O-N 3.32Å; G1224-D1228 PolarHBondContact O-N 3.4Å |
| 1225 | S | 83 | Confident | 85.8 | Confident | 7 Ų | 7 | 32.1 Ų | 32.1 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.1 | -43.2 | 178 | -47.8 | 0 | 0 | 0 | 0 | 113.5 | L1215 S1223 L1227 D1228 Y1229 H1292 | L1215-S1225 WeakPolarHBondContact CD2-O 3.09Å; S1223-S1225 PolarHBondContact O-N 3.11Å; S1225-L1227 VanDerWaalsContact C-N 3.31Å; S1225-L1227 PolarHBondContact O-N 2.89Å; S1225-D1228 PolarHBondContact O-N 2.76Å; S1225-Y1229 PolarHBondContact O-N 3.3Å; S1225-Y1229 VanDerWaalsContact O-N 3.1Å; S1225-H1292 VanDerWaalsContact CA-CE1 3.45Å; S1225-H1292 WeakPolarHBondContact CA-CE1 3.23Å; S1225-H1292 WeakPolarHBondContact CA-NE2 3.5Å; S1225-H1292 PolarHBondContact N-NE2 2.86Å; S1225-H1292 PolarHBondContact OG-NE2 2.69Å; S1225-H1292 VanDerWaalsContact OG-NE2 3.17Å |
| 1226 | S | 85.5 | Confident | 86 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 174.8 | -70.7 | 0 | 0 | 0 | 0 | 111.9 | G1216 G1220 S1223 Y1229 V1230 | G1216-S1226 WeakPolarHBondContact CA-OG 3.42Å; G1220-S1226 WeakPolarHBondContact O-CB 3.29Å; G1220-S1226 PolarHBondContact O-OG 3.25Å; S1223-S1226 PolarHBondContact O-N 3.16Å; S1223-S1226 WeakPolarHBondContact OG-CB 3.46Å; S1223-S1226 PolarHBondContact OG-N 3.48Å; S1223-S1226 VanDerWaalsContact OG-N 3.12Å; S1223-S1226 PolarHBondContact OG-OG 3.24Å; S1226-Y1229 PolarHBondContact O-N 3.35Å; S1226-V1230 WeakPolarHBondContact O-CG2 3.26Å; S1226-V1230 PolarHBondContact O-N 3.17Å; S1226-V1230 VanDerWaalsContact O-N 3.15Å |
| 1227 | L | 85.9 | Confident | 86 | Confident | 33 Ų | 33 | 34.2 Ų | 34.2 | 17% | 0.173 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.9 | -41.2 | 175.9 | -70.1 | 171.9 | 0 | 0 | 0 | 112.1 | S1223 G1224 S1225 Y1229 V1230 Y1231 W1255 I1258 | S1223-L1227 WeakPolarHBondContact O-CG 3.39Å; S1223-L1227 PolarHBondContact O-N 3.49Å; G1224-L1227 PolarHBondContact O-N 3.32Å; S1225-L1227 VanDerWaalsContact C-N 3.31Å; S1225-L1227 PolarHBondContact O-N 2.89Å; L1227-Y1229 VanDerWaalsContact C-N 3.34Å; L1227-Y1229 PolarHBondContact O-N 3.08Å; L1227-V1230 WeakPolarHBondContact O-CB 3.47Å; L1227-V1230 PolarHBondContact O-N 2.99Å; L1227-V1230 VanDerWaalsContact O-N 3.13Å; L1227-Y1231 HydrophobicContact CB-CE2 4.33Å; L1227-Y1231 VanDerWaalsContact O-CD2 3.32Å; L1227-Y1231 WeakPolarHBondContact O-CD2 3.09Å; L1227-Y1231 PolarHBondContact O-N 3.28Å; L1227-W1255 HydrophobicContact CD2-CZ3 4.22Å; L1227-I1258 HydrophobicContact CD2-CD1 3.85Å; L1227-I1258 HydrophobicContact CD2-CG2 4.01Å |
| 1228 | D | 85.9 | Confident | 86.1 | Confident | 10 Ų | 10 | 35.1 Ų | 35.1 | 5% | 0.053 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 176.1 | -167.8 | 69.3 | 0 | 0 | 0 | 111.8 | G1224 S1225 V1230 Y1231 Q1232 H1292 R1294 | G1224-D1228 PolarHBondContact O-N 3.4Å; S1225-D1228 PolarHBondContact O-N 2.76Å; D1228-V1230 VanDerWaalsContact C-N 3.28Å; D1228-V1230 PolarHBondContact O-N 3.12Å; D1228-Y1231 PolarHBondContact O-N 3.15Å; D1228-Y1231 VanDerWaalsContact O-N 3.09Å; D1228-Q1232 WeakPolarHBondContact O-CG 3.44Å; D1228-Q1232 PolarHBondContact O-N 3.31Å; D1228-Q1232 PolarHBondContact OD2-NE2 2.91Å; D1228-H1292 HydrophobicContact CB-CB 4.39Å; D1228-H1292 VanDerWaalsContact CB-ND1 3.26Å; D1228-H1292 WeakPolarHBondContact CB-ND1 3.35Å; D1228-H1292 IonicContact OD1-ND1 3.99Å; D1228-H1292 IonicContact OD2-ND1 3.3Å; D1228-R1294 WeakPolarHBondContact OD1-CB 3.36Å; D1228-R1294 IonicContact OD1-CZ 2.61Å; D1228-R1294 IonicContact OD1-NE 2.57Å; D1228-R1294 PolarHBondContact OD1-NE 3.22Å; D1228-R1294 IonicContact OD1-NH2 3.86Å; D1228-R1294 PolarHBondContact OD1-NH2 3.3Å; D1228-R1294 IonicContact OD2-CZ 3.36Å; D1228-R1294 IonicContact OD2-NE 3.45Å; D1228-R1294 PolarHBondContact OD2-NE 2.6Å; D1228-R1294 IonicContact OD2-NH2 3.35Å; D1228-R1294 PolarHBondContact OD2-NH2 3.05Å |
| 1229 | Y | 89.4 | Confident | 86.2 | Confident | 9 Ų | 9 | 34.3 Ų | 34.3 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.1 | -42.1 | 173.5 | -179.1 | -90.6 | 0 | 0 | 0 | 111.9 | G1212 L1215 S1225 S1226 L1227 Q1232 N1233 Q1234 Q1236 D1246 Y1249 L1250 | G1212-Y1229 VanDerWaalsContact CA-CE1 3.43Å; L1215-Y1229 HydrophobicContact CD2-CG 4.4Å; S1225-Y1229 PolarHBondContact O-N 3.3Å; S1225-Y1229 VanDerWaalsContact O-N 3.1Å; S1226-Y1229 PolarHBondContact O-N 3.35Å; L1227-Y1229 VanDerWaalsContact C-N 3.34Å; L1227-Y1229 PolarHBondContact O-N 3.08Å; Y1229-Q1232 PolarHBondContact O-N 3.44Å; Y1229-N1233 PolarHBondContact O-N 3.44Å; Y1229-Q1234 PolarHBondContact OH-O 2.87Å; Y1229-Q1236 HydrophobicContact CE2-CB 4.09Å; Y1229-Q1236 HydrophobicContact CE2-CG 4.21Å; Y1229-Q1236 PolarHBondContact OH-N 2.73Å; Y1229-D1246 WeakPolarHBondContact OH-CB 3.44Å; Y1229-D1246 PolarHBondContact OH-OD1 3.07Å; Y1229-D1246 PolarHBondContact OH-OD2 3.49Å; Y1229-Y1249 HydrophobicContact CD1-CE1 4.2Å; Y1229-Y1249 HydrophobicContact CE1-CD1 4.28Å; Y1229-Y1249 HydrophobicContact CE1-CE1 4.2Å; Y1229-L1250 HydrophobicContact CD1-CD2 4Å; Y1229-L1250 HydrophobicContact CE1-CD1 4.17Å; Y1229-L1250 HydrophobicContact CE1-CD2 3.75Å; Y1229-L1250 HydrophobicContact CE1-CG 4.04Å |
| 1230 | V | 90.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.4 | -38.6 | 175.6 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | S1226 L1227 D1228 N1233 Y1249 L1250 W1255 I1258 R1259 | S1226-V1230 WeakPolarHBondContact O-CG2 3.26Å; S1226-V1230 PolarHBondContact O-N 3.17Å; S1226-V1230 VanDerWaalsContact O-N 3.15Å; L1227-V1230 WeakPolarHBondContact O-CB 3.47Å; L1227-V1230 PolarHBondContact O-N 2.99Å; L1227-V1230 VanDerWaalsContact O-N 3.13Å; D1228-V1230 VanDerWaalsContact C-N 3.28Å; D1228-V1230 PolarHBondContact O-N 3.12Å; V1230-N1233 PolarHBondContact O-N 2.7Å; V1230-Y1249 HydrophobicContact CG2-CE1 4.31Å; V1230-L1250 HydrophobicContact CG2-CD2 4.29Å; V1230-W1255 HydrophobicContact CB-CE3 4.22Å; V1230-W1255 HydrophobicContact CG1-CB 3.89Å; V1230-W1255 HydrophobicContact CG1-CD2 4.45Å; V1230-W1255 HydrophobicContact CG1-CE3 3.99Å; V1230-W1255 HydrophobicContact CG1-CG 4.44Å; V1230-W1255 HydrophobicContact CG2-CB 4.37Å; V1230-W1255 HydrophobicContact CG2-CD2 3.72Å; V1230-W1255 HydrophobicContact CG2-CE3 3.45Å; V1230-W1255 VanDerWaalsContact CG2-CE3 3.45Å; V1230-W1255 HydrophobicContact CG2-CG 4.1Å; V1230-W1255 HydrophobicContact CG2-CZ3 4.03Å; V1230-I1258 HydrophobicContact CG1-CB 4.36Å; V1230-I1258 HydrophobicContact CG1-CG2 4Å; V1230-R1259 HydrophobicContact CG1-CG 4.04Å; V1230-R1259 VanDerWaalsContact O-CD 3.28Å; V1230-R1259 WeakPolarHBondContact O-CD 3.27Å; V1230-R1259 WeakPolarHBondContact O-CG 3.29Å |
| 1231 | Y | 89.9 | Confident | 86.3 | Confident | 23 Ų | 23 | 40 Ų | 40 | 9% | 0.09 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.7 | -31.2 | 176.7 | -67.7 | -37.7 | 0 | 0 | 0 | 113.6 | L1227 D1228 N1233 I1258 R1261 K1262 Y1295 | L1227-Y1231 HydrophobicContact CB-CE2 4.33Å; L1227-Y1231 VanDerWaalsContact O-CD2 3.32Å; L1227-Y1231 WeakPolarHBondContact O-CD2 3.09Å; L1227-Y1231 PolarHBondContact O-N 3.28Å; D1228-Y1231 PolarHBondContact O-N 3.15Å; D1228-Y1231 VanDerWaalsContact O-N 3.09Å; Y1231-N1233 VanDerWaalsContact C-N 3.3Å; Y1231-I1258 HydrophobicContact CD1-CG2 4.16Å; Y1231-I1258 HydrophobicContact CE1-CG2 3.45Å; Y1231-I1258 VanDerWaalsContact CE1-CG2 3.45Å; Y1231-R1261 PolarHBondContact OH-NH2 2.91Å; Y1231-K1262 HydrophobicContact CD1-CB 3.83Å; Y1231-K1262 HydrophobicContact CD1-CD 3.61Å; Y1231-K1262 HydrophobicContact CD1-CG 4.29Å; Y1231-K1262 HydrophobicContact CE1-CB 3.62Å; Y1231-K1262 HydrophobicContact CE1-CD 4.21Å; Y1231-K1262 HydrophobicContact CE1-CG 4.42Å; Y1231-K1262 HydrophobicContact CG-CD 3.9Å; Y1231-Y1295 AromaticContact CE2-CD1 3.91Å; Y1231-Y1295 HydrophobicContact CE2-CD1 3.91Å |
| 1232 | Q | 88.8 | Confident | 86.2 | Confident | 67 Ų | 67 | 40 Ų | 40 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.7 | -33.7 | 173.1 | -69.4 | 176.2 | 36.6 | 0 | 0 | 111.8 | D1228 Y1229 Q1234 | D1228-Q1232 WeakPolarHBondContact O-CG 3.44Å; D1228-Q1232 PolarHBondContact O-N 3.31Å; D1228-Q1232 PolarHBondContact OD2-NE2 2.91Å; Y1229-Q1232 PolarHBondContact O-N 3.44Å; Q1232-Q1234 VanDerWaalsContact C-N 3.27Å; Q1232-Q1234 PolarHBondContact O-N 2.7Å |
| 1233 | N | 91.8 | Very high | 86.5 | Confident | 78 Ų | 78 | 45.7 Ų | 45.7 | 42% | 0.417 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 35.3 | 175.9 | -166.1 | 41 | 0 | 0 | 0 | 114.1 | Y1229 V1230 Y1231 R1259 | Y1229-N1233 PolarHBondContact O-N 3.44Å; V1230-N1233 PolarHBondContact O-N 2.7Å; Y1231-N1233 VanDerWaalsContact C-N 3.3Å; N1233-R1259 VanDerWaalsContact OD1-CZ 3.22Å; N1233-R1259 PolarHBondContact OD1-NE 2.97Å |
| 1234 | Q | 90.2 | Very high | 86.5 | Confident | 128 Ų | 128 | 49.7 Ų | 49.7 | 60% | 0.598 | 26% | 0.263 | S | S | * | . | trans | -120.6 | 124.3 | 177.5 | -65.5 | -164.8 | 6.7 | 0 | 0 | 110.9 | Y1229 Q1232 Q1236 | Y1229-Q1234 PolarHBondContact OH-O 2.87Å; Q1232-Q1234 VanDerWaalsContact C-N 3.27Å; Q1232-Q1234 PolarHBondContact O-N 2.7Å; Q1234-Q1236 WeakPolarHBondContact O-CG 3.47Å; Q1234-Q1236 PolarHBondContact O-N 3.35Å | ||
| 1235 | P | 89.9 | Confident | 86.8 | Confident | 51 Ų | 51 | 50.3 Ų | 50.3 | 33% | 0.331 | 27% | 0.265 | S | S | . | . | trans | -67 | 121 | 172.8 | -19.8 | 32.1 | 0 | 0 | 0 | 111.9 | R1243 D1246 K1247 L1250 | P1235-R1243 HydrophobicContact CB-CB 4.23Å; P1235-R1243 HydrophobicContact CB-CG 4.5Å; P1235-R1243 WeakPolarHBondContact CB-O 3.3Å; P1235-D1246 HydrophobicContact CB-CB 3.74Å; P1235-K1247 HydrophobicContact CG-CB 4.06Å; P1235-L1250 HydrophobicContact CG-CD1 4.28Å | ||
| 1236 | Q | 89.1 | Confident | 87.2 | Confident | 84 Ų | 84 | 50 Ų | 50 | 39% | 0.393 | 26% | 0.262 | S | S | . | . | trans | -121.2 | 14.2 | -171 | -66.5 | 172.1 | 20.6 | 0 | 0 | 113.6 | S1211 Y1229 Q1234 D1246 | S1211-Q1236 PolarHBondContact OG-O 3.39Å; Y1229-Q1236 HydrophobicContact CE2-CB 4.09Å; Y1229-Q1236 HydrophobicContact CE2-CG 4.21Å; Y1229-Q1236 PolarHBondContact OH-N 2.73Å; Q1234-Q1236 WeakPolarHBondContact O-CG 3.47Å; Q1234-Q1236 PolarHBondContact O-N 3.35Å; Q1236-D1246 PolarHBondContact N-OD2 2.78Å | ||
| 1237 | G | 84 | Confident | 87.3 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | trans | -58.6 | 151.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1209 N1239 D1246 | H1209-G1237 CarbonylContact O-C 3.56Å; H1209-G1237 VanDerWaalsContact O-CA 3.27Å; H1209-G1237 WeakPolarHBondContact O-CA 3.48Å; G1237-N1239 PolarHBondContact O-N 3.25Å; G1237-N1239 VanDerWaalsContact O-N 3.13Å; G1237-D1246 WeakPolarHBondContact CA-OD2 3.16Å; G1237-D1246 PolarHBondContact N-OD2 3.03Å | ||
| 1238 | S | 84.2 | Confident | 87.3 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 61% | 0.608 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -66.3 | -17.4 | -170.7 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | H1209 | H1209-S1238 PolarHBondContact O-N 3.15Å; H1209-S1238 PolarHBondContact O-OG 3.06Å |
| 1239 | N | 85.5 | Confident | 87.3 | Confident | 60 Ų | 60 | 60.1 Ų | 60.1 | 32% | 0.321 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -146.1 | 179 | 175.9 | 62.9 | 28.8 | 0 | 0 | 0 | 111.8 | H1209 G1237 F1241 G1242 R1243 | H1209-N1239 PolarHBondContact ND1-ND2 3.17Å; G1237-N1239 PolarHBondContact O-N 3.25Å; G1237-N1239 VanDerWaalsContact O-N 3.13Å; N1239-F1241 VanDerWaalsContact C-N 3.28Å; N1239-F1241 PolarHBondContact O-N 3.47Å; N1239-F1241 WeakPolarHBondContact OD1-CB 3.47Å; N1239-F1241 PolarHBondContact OD1-N 3.3Å; N1239-G1242 PolarHBondContact O-N 3.27Å; N1239-G1242 VanDerWaalsContact O-N 3.15Å; N1239-G1242 PolarHBondContact OD1-N 3.49Å; N1239-R1243 PolarHBondContact O-N 2.86Å |
| 1240 | A | 81.9 | Confident | 87.3 | Confident | 71 Ų | 71 | 59.8 Ų | 59.8 | 59% | 0.587 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.7 | -37.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1244 | A1240-L1244 PolarHBondContact O-N 3.23Å |
| 1241 | F | 84.1 | Confident | 87.3 | Confident | 93 Ų | 93 | 63.8 Ų | 63.8 | 41% | 0.408 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 174.5 | 176.5 | -97.7 | 0 | 0 | 0 | 111.4 | F1206 H1209 N1239 R1243 L1244 V1245 | F1206-F1241 HydrophobicContact CB-CE1 4.35Å; F1206-F1241 AromaticContact CD1-CE1 3.59Å; F1206-F1241 HydrophobicContact CD1-CE1 3.59Å; F1206-F1241 AromaticContact CD1-CZ 3.6Å; F1206-F1241 HydrophobicContact CD1-CZ 3.6Å; F1206-F1241 HydrophobicContact CE1-CE1 4.22Å; F1206-F1241 AromaticContact CE1-CZ 3.84Å; F1206-F1241 HydrophobicContact CE1-CZ 3.84Å; F1206-F1241 HydrophobicContact CG-CE1 4.21Å; F1206-F1241 HydrophobicContact CG-CZ 4.21Å; H1209-F1241 HydrophobicContact CB-CD1 4.45Å; N1239-F1241 VanDerWaalsContact C-N 3.28Å; N1239-F1241 PolarHBondContact O-N 3.47Å; N1239-F1241 WeakPolarHBondContact OD1-CB 3.47Å; N1239-F1241 PolarHBondContact OD1-N 3.3Å; F1241-R1243 PolarHBondContact O-N 3.29Å; F1241-L1244 WeakPolarHBondContact O-CA 3.41Å; F1241-L1244 WeakPolarHBondContact O-CB 3.4Å; F1241-L1244 PolarHBondContact O-N 3.04Å; F1241-L1244 VanDerWaalsContact O-N 3.09Å; F1241-V1245 HydrophobicContact CD1-CG2 4.17Å; F1241-V1245 HydrophobicContact CE1-CG2 3.74Å; F1241-V1245 HydrophobicContact CE2-CG2 4.3Å; F1241-V1245 HydrophobicContact CZ-CG2 3.81Å; F1241-V1245 WeakPolarHBondContact O-CG2 3.17Å; F1241-V1245 PolarHBondContact O-N 2.85Å |
| 1242 | G | 85.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.5 | -44.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | H1209 N1239 L1244 V1245 D1246 | H1209-G1242 WeakPolarHBondContact O-CA 3.44Å; N1239-G1242 PolarHBondContact O-N 3.27Å; N1239-G1242 VanDerWaalsContact O-N 3.15Å; N1239-G1242 PolarHBondContact OD1-N 3.49Å; G1242-L1244 VanDerWaalsContact C-N 3.32Å; G1242-L1244 PolarHBondContact O-N 2.76Å; G1242-V1245 PolarHBondContact O-N 2.82Å; G1242-D1246 WeakPolarHBondContact O-CB 3.31Å; G1242-D1246 PolarHBondContact O-N 2.9Å |
| 1243 | R | 87.8 | Confident | 87.2 | Confident | 133 Ų | 133 | 62.8 Ų | 62.8 | 50% | 0.502 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.1 | -34.8 | 173.7 | -71.9 | -168.6 | -72.3 | -110.8 | 4.7 | 112.7 | P1235 N1239 F1241 K1247 | P1235-R1243 HydrophobicContact CB-CB 4.23Å; P1235-R1243 HydrophobicContact CB-CG 4.5Å; P1235-R1243 WeakPolarHBondContact CB-O 3.3Å; N1239-R1243 PolarHBondContact O-N 2.86Å; F1241-R1243 PolarHBondContact O-N 3.29Å; R1243-K1247 VanDerWaalsContact O-CB 3.3Å; R1243-K1247 WeakPolarHBondContact O-CB 3.16Å; R1243-K1247 PolarHBondContact O-N 2.72Å |
| 1244 | L | 85 | Confident | 86.9 | Confident | 94 Ų | 94 | 59.5 Ų | 59.5 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 173.4 | 178.2 | 65.2 | 0 | 0 | 0 | 111.3 | A1240 F1241 G1242 K1247 I1248 | A1240-L1244 PolarHBondContact O-N 3.23Å; F1241-L1244 WeakPolarHBondContact O-CA 3.41Å; F1241-L1244 WeakPolarHBondContact O-CB 3.4Å; F1241-L1244 PolarHBondContact O-N 3.04Å; F1241-L1244 VanDerWaalsContact O-N 3.09Å; G1242-L1244 VanDerWaalsContact C-N 3.32Å; G1242-L1244 PolarHBondContact O-N 2.76Å; L1244-K1247 WeakPolarHBondContact O-CB 3.26Å; L1244-K1247 PolarHBondContact O-N 2.72Å; L1244-I1248 HydrophobicContact CG-CD1 4.3Å; L1244-I1248 WeakPolarHBondContact O-CG1 3.3Å; L1244-I1248 PolarHBondContact O-N 2.84Å |
| 1245 | V | 85.6 | Confident | 87 | Confident | 23 Ų | 23 | 54 Ų | 54 | 14% | 0.139 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 176.6 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | L1213 F1241 G1242 K1247 I1248 Y1249 | L1213-V1245 HydrophobicContact CD1-CG1 3.42Å; L1213-V1245 VanDerWaalsContact CD1-CG1 3.42Å; L1213-V1245 HydrophobicContact CG-CG1 4.32Å; F1241-V1245 HydrophobicContact CD1-CG2 4.17Å; F1241-V1245 HydrophobicContact CE1-CG2 3.74Å; F1241-V1245 HydrophobicContact CE2-CG2 4.3Å; F1241-V1245 HydrophobicContact CZ-CG2 3.81Å; F1241-V1245 WeakPolarHBondContact O-CG2 3.17Å; F1241-V1245 PolarHBondContact O-N 2.85Å; G1242-V1245 PolarHBondContact O-N 2.82Å; V1245-K1247 VanDerWaalsContact C-N 3.28Å; V1245-K1247 PolarHBondContact O-N 3.11Å; V1245-I1248 PolarHBondContact O-N 3.41Å; V1245-I1248 VanDerWaalsContact O-N 3.13Å; V1245-Y1249 WeakPolarHBondContact O-CB 3.32Å; V1245-Y1249 PolarHBondContact O-N 2.85Å |
| 1246 | D | 89.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.8 | -40.8 | 173.1 | -80.3 | -8.6 | 0 | 0 | 0 | 111.6 | S1210 S1211 G1212 Y1229 P1235 Q1236 G1237 G1242 I1248 Y1249 L1250 | S1210-D1246 WeakPolarHBondContact CA-OD1 3.43Å; S1210-D1246 VanDerWaalsContact CB-OD1 3.3Å; S1210-D1246 WeakPolarHBondContact CB-OD1 3.18Å; S1210-D1246 PolarHBondContact OG-OD1 3.13Å; S1211-D1246 PolarHBondContact N-OD1 3.04Å; G1212-D1246 PolarHBondContact N-OD1 3.21Å; G1212-D1246 VanDerWaalsContact N-OD1 3.13Å; Y1229-D1246 WeakPolarHBondContact OH-CB 3.44Å; Y1229-D1246 PolarHBondContact OH-OD1 3.07Å; Y1229-D1246 PolarHBondContact OH-OD2 3.49Å; P1235-D1246 HydrophobicContact CB-CB 3.74Å; Q1236-D1246 PolarHBondContact N-OD2 2.78Å; G1237-D1246 WeakPolarHBondContact CA-OD2 3.16Å; G1237-D1246 PolarHBondContact N-OD2 3.03Å; G1242-D1246 WeakPolarHBondContact O-CB 3.31Å; G1242-D1246 PolarHBondContact O-N 2.9Å; D1246-I1248 PolarHBondContact O-N 3.03Å; D1246-Y1249 PolarHBondContact O-N 2.82Å; D1246-L1250 VanDerWaalsContact O-CB 3.31Å; D1246-L1250 WeakPolarHBondContact O-CB 3.16Å; D1246-L1250 VanDerWaalsContact O-CG 3.29Å; D1246-L1250 WeakPolarHBondContact O-CG 3.37Å; D1246-L1250 PolarHBondContact O-N 3.18Å |
| 1247 | K | 88.5 | Confident | 87.1 | Confident | 119 Ų | 119 | 52.6 Ų | 52.6 | 52% | 0.517 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 176.5 | -173.9 | 176.4 | -177.7 | 176.8 | 0 | 111.8 | P1235 R1243 L1244 V1245 N1251 | P1235-K1247 HydrophobicContact CG-CB 4.06Å; R1243-K1247 VanDerWaalsContact O-CB 3.3Å; R1243-K1247 WeakPolarHBondContact O-CB 3.16Å; R1243-K1247 PolarHBondContact O-N 2.72Å; L1244-K1247 WeakPolarHBondContact O-CB 3.26Å; L1244-K1247 PolarHBondContact O-N 2.72Å; V1245-K1247 VanDerWaalsContact C-N 3.28Å; V1245-K1247 PolarHBondContact O-N 3.11Å; K1247-N1251 VanDerWaalsContact O-CB 3.28Å; K1247-N1251 WeakPolarHBondContact O-CB 3.32Å; K1247-N1251 PolarHBondContact O-N 3.09Å; K1247-N1251 VanDerWaalsContact O-N 3.16Å; K1247-N1251 PolarHBondContact O-ND2 3.42Å |
| 1248 | I | 85.8 | Confident | 87.5 | Confident | 117 Ų | 117 | 52.9 Ų | 52.9 | 60% | 0.6 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -67.4 | -46.2 | 175.5 | -68.3 | 167.1 | 0 | 0 | 0 | 110.1 | L1244 V1245 D1246 N1251 S1252 | L1244-I1248 HydrophobicContact CG-CD1 4.3Å; L1244-I1248 WeakPolarHBondContact O-CG1 3.3Å; L1244-I1248 PolarHBondContact O-N 2.84Å; V1245-I1248 PolarHBondContact O-N 3.41Å; V1245-I1248 VanDerWaalsContact O-N 3.13Å; D1246-I1248 PolarHBondContact O-N 3.03Å; I1248-N1251 PolarHBondContact O-N 2.87Å; I1248-S1252 PolarHBondContact O-N 3.2Å |
| 1249 | Y | 87.1 | Confident | 87.9 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 9% | 0.086 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.9 | -62.6 | 175.3 | 172.3 | -105.5 | 0 | 0 | 0 | 110.1 | L1213 F1221 Y1229 V1230 V1245 D1246 N1251 S1252 W1255 | L1213-Y1249 HydrophobicContact CD2-CD2 3.87Å; L1213-Y1249 HydrophobicContact CD2-CE2 4.23Å; L1213-Y1249 HydrophobicContact CD2-CG 4.5Å; F1221-Y1249 HydrophobicContact CD1-CE2 4.01Å; F1221-Y1249 AromaticContact CE1-CE2 3.83Å; F1221-Y1249 HydrophobicContact CE1-CE2 3.83Å; Y1229-Y1249 HydrophobicContact CD1-CE1 4.2Å; Y1229-Y1249 HydrophobicContact CE1-CD1 4.28Å; Y1229-Y1249 HydrophobicContact CE1-CE1 4.2Å; V1230-Y1249 HydrophobicContact CG2-CE1 4.31Å; V1245-Y1249 WeakPolarHBondContact O-CB 3.32Å; V1245-Y1249 PolarHBondContact O-N 2.85Å; D1246-Y1249 PolarHBondContact O-N 2.82Å; Y1249-N1251 PolarHBondContact O-N 2.81Å; Y1249-S1252 WeakPolarHBondContact O-CB 3.39Å; Y1249-S1252 PolarHBondContact O-N 3.2Å; Y1249-W1255 AromaticContact CD2-NE1 3.53Å; Y1249-W1255 AromaticContact CE2-CD1 3.93Å; Y1249-W1255 AromaticContact CE2-CE2 3.61Å; Y1249-W1255 AromaticContact CE2-CZ2 3.86Å; Y1249-W1255 HydrophobicContact CE2-CZ2 3.86Å; Y1249-W1255 AromaticContact CE2-NE1 3.04Å; Y1249-W1255 AromaticContact CZ-CE2 3.57Å; Y1249-W1255 AromaticContact CZ-CZ2 3.79Å; Y1249-W1255 AromaticContact CZ-NE1 3.37Å; Y1249-W1255 WeakPolarHBondContact OH-CZ2 3.34Å |
| 1250 | L | 89.2 | Confident | 88.2 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.2 | -29.9 | -178.9 | -71.4 | 171.1 | 0 | 0 | 0 | 113.4 | Y1229 V1230 P1235 D1246 R1259 | Y1229-L1250 HydrophobicContact CD1-CD2 4Å; Y1229-L1250 HydrophobicContact CE1-CD1 4.17Å; Y1229-L1250 HydrophobicContact CE1-CD2 3.75Å; Y1229-L1250 HydrophobicContact CE1-CG 4.04Å; V1230-L1250 HydrophobicContact CG2-CD2 4.29Å; P1235-L1250 HydrophobicContact CG-CD1 4.28Å; D1246-L1250 VanDerWaalsContact O-CB 3.31Å; D1246-L1250 WeakPolarHBondContact O-CB 3.16Å; D1246-L1250 VanDerWaalsContact O-CG 3.29Å; D1246-L1250 WeakPolarHBondContact O-CG 3.37Å; D1246-L1250 PolarHBondContact O-N 3.18Å; L1250-R1259 PolarHBondContact O-NH1 2.82Å; L1250-R1259 PolarHBondContact O-NH2 2.9Å |
| 1251 | N | 89.4 | Confident | 88.7 | Confident | 85 Ų | 85 | 47.3 Ų | 47.3 | 46% | 0.455 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 4.4 | 179.3 | -73.5 | -55.9 | 0 | 0 | 0 | 114.8 | K1247 I1248 Y1249 R1256 | K1247-N1251 VanDerWaalsContact O-CB 3.28Å; K1247-N1251 WeakPolarHBondContact O-CB 3.32Å; K1247-N1251 PolarHBondContact O-N 3.09Å; K1247-N1251 VanDerWaalsContact O-N 3.16Å; K1247-N1251 PolarHBondContact O-ND2 3.42Å; I1248-N1251 PolarHBondContact O-N 2.87Å; Y1249-N1251 PolarHBondContact O-N 2.81Å; N1251-R1256 WeakPolarHBondContact O-CD 3.37Å |
| 1252 | S | 89 | Confident | 89.2 | Confident | 34 Ų | 34 | 44 Ų | 44 | 24% | 0.238 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -62.1 | 153.2 | 170.5 | 94.7 | 0 | 0 | 0 | 0 | 111 | I1248 Y1249 G1254 W1255 R1256 | I1248-S1252 PolarHBondContact O-N 3.2Å; Y1249-S1252 WeakPolarHBondContact O-CB 3.39Å; Y1249-S1252 PolarHBondContact O-N 3.2Å; S1252-G1254 VanDerWaalsContact C-N 3.35Å; S1252-G1254 PolarHBondContact O-N 2.98Å; S1252-W1255 PolarHBondContact O-N 3.3Å; S1252-R1256 WeakPolarHBondContact O-CG 3.48Å; S1252-R1256 PolarHBondContact O-N 2.93Å |
| 1253 | V | 88 | Confident | 89.6 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 21% | 0.212 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -38.5 | -172.8 | 67.3 | 0 | 0 | 0 | 0 | 112.7 | R1256 G1257 P1399 Q1400 W1446 I1448 | V1253-R1256 PolarHBondContact O-N 2.92Å; V1253-G1257 PolarHBondContact O-N 2.77Å; V1253-P1399 HydrophobicContact CG1-CG 3.82Å; V1253-Q1400 HydrophobicContact CG1-CG 4.15Å; V1253-W1446 HydrophobicContact CG2-CB 4.31Å; V1253-W1446 HydrophobicContact CG2-CD2 3.96Å; V1253-W1446 HydrophobicContact CG2-CG 3.75Å; V1253-I1448 HydrophobicContact CG2-CD1 3.87Å |
| 1254 | G | 86.7 | Confident | 89.9 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 8% | 0.082 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1252 G1257 I1258 | S1252-G1254 VanDerWaalsContact C-N 3.35Å; S1252-G1254 PolarHBondContact O-N 2.98Å; G1254-G1257 PolarHBondContact O-N 3.41Å; G1254-I1258 PolarHBondContact O-N 2.91Å |
| 1255 | W | 91.2 | Very high | 90.3 | Very high | 14 Ų | 14 | 37 Ų | 37 | 5% | 0.053 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.5 | -32.4 | 179.8 | -57.3 | 128 | 0 | 0 | 0 | 113.2 | F1221 L1227 V1230 Y1249 S1252 I1258 R1259 W1417 | F1221-W1255 HydrophobicContact CB-CH2 4.3Å; F1221-W1255 HydrophobicContact CB-CZ2 4.4Å; F1221-W1255 HydrophobicContact CD1-CZ2 4.13Å; F1221-W1255 VanDerWaalsContact O-CH2 3.26Å; F1221-W1255 WeakPolarHBondContact O-CH2 3.39Å; L1227-W1255 HydrophobicContact CD2-CZ3 4.22Å; V1230-W1255 HydrophobicContact CB-CE3 4.22Å; V1230-W1255 HydrophobicContact CG1-CB 3.89Å; V1230-W1255 HydrophobicContact CG1-CD2 4.45Å; V1230-W1255 HydrophobicContact CG1-CE3 3.99Å; V1230-W1255 HydrophobicContact CG1-CG 4.44Å; V1230-W1255 HydrophobicContact CG2-CB 4.37Å; V1230-W1255 HydrophobicContact CG2-CD2 3.72Å; V1230-W1255 HydrophobicContact CG2-CE3 3.45Å; V1230-W1255 VanDerWaalsContact CG2-CE3 3.45Å; V1230-W1255 HydrophobicContact CG2-CG 4.1Å; V1230-W1255 HydrophobicContact CG2-CZ3 4.03Å; Y1249-W1255 AromaticContact CD2-NE1 3.53Å; Y1249-W1255 AromaticContact CE2-CD1 3.93Å; Y1249-W1255 AromaticContact CE2-CE2 3.61Å; Y1249-W1255 AromaticContact CE2-CZ2 3.86Å; Y1249-W1255 HydrophobicContact CE2-CZ2 3.86Å; Y1249-W1255 AromaticContact CE2-NE1 3.04Å; Y1249-W1255 AromaticContact CZ-CE2 3.57Å; Y1249-W1255 AromaticContact CZ-CZ2 3.79Å; Y1249-W1255 AromaticContact CZ-NE1 3.37Å; Y1249-W1255 WeakPolarHBondContact OH-CZ2 3.34Å; S1252-W1255 PolarHBondContact O-N 3.3Å; W1255-I1258 HydrophobicContact CE3-CD1 3.4Å; W1255-I1258 HydrophobicContact CZ3-CD1 3.45Å; W1255-I1258 VanDerWaalsContact CZ3-CD1 3.45Å; W1255-I1258 PolarHBondContact O-N 3.32Å; W1255-R1259 PolarHBondContact O-N 3.39Å; W1255-R1259 VanDerWaalsContact O-N 3.09Å; W1255-R1259 PolarHBondContact O-NH1 3.47Å; W1255-W1417 HydrophobicContact CH2-CH2 4.39Å; W1255-W1417 HydrophobicContact CH2-CZ3 4.23Å |
| 1256 | R | 92.2 | Very high | 90.7 | Very high | 105 Ų | 105 | 38.2 Ų | 38.2 | 40% | 0.396 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 168.4 | -74.5 | 178 | 61 | 175.8 | 5.6 | 111.8 | N1251 S1252 V1253 R1259 Q1260 W1446 | N1251-R1256 WeakPolarHBondContact O-CD 3.37Å; S1252-R1256 WeakPolarHBondContact O-CG 3.48Å; S1252-R1256 PolarHBondContact O-N 2.93Å; V1253-R1256 PolarHBondContact O-N 2.92Å; R1256-R1259 PolarHBondContact O-N 2.9Å; R1256-Q1260 PolarHBondContact O-N 2.8Å; R1256-W1446 HydrophobicContact CB-CH2 4.08Å; R1256-W1446 HydrophobicContact CB-CZ3 4.01Å; R1256-W1446 VanDerWaalsContact CZ-CZ2 3.42Å |
| 1257 | G | 90 | Very high | 90.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.3 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | V1253 G1254 R1259 Q1260 R1261 F1449 | V1253-G1257 PolarHBondContact O-N 2.77Å; G1254-G1257 PolarHBondContact O-N 3.41Å; G1257-R1259 VanDerWaalsContact C-N 3.35Å; G1257-R1259 PolarHBondContact O-N 2.96Å; G1257-Q1260 WeakPolarHBondContact O-CB 3.39Å; G1257-Q1260 PolarHBondContact O-N 3.36Å; G1257-Q1260 VanDerWaalsContact O-N 3.12Å; G1257-R1261 PolarHBondContact O-N 3.39Å; G1257-F1449 VanDerWaalsContact C-CD2 3.46Å |
| 1258 | I | 90.7 | Very high | 91.2 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 5% | 0.046 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.1 | -40.9 | 176.9 | -74.4 | 165.2 | 0 | 0 | 0 | 111.8 | L1227 V1230 Y1231 G1254 W1255 R1261 K1262 F1449 | L1227-I1258 HydrophobicContact CD2-CD1 3.85Å; L1227-I1258 HydrophobicContact CD2-CG2 4.01Å; V1230-I1258 HydrophobicContact CG1-CB 4.36Å; V1230-I1258 HydrophobicContact CG1-CG2 4Å; Y1231-I1258 HydrophobicContact CD1-CG2 4.16Å; Y1231-I1258 HydrophobicContact CE1-CG2 3.45Å; Y1231-I1258 VanDerWaalsContact CE1-CG2 3.45Å; G1254-I1258 PolarHBondContact O-N 2.91Å; W1255-I1258 HydrophobicContact CE3-CD1 3.4Å; W1255-I1258 HydrophobicContact CZ3-CD1 3.45Å; W1255-I1258 VanDerWaalsContact CZ3-CD1 3.45Å; W1255-I1258 PolarHBondContact O-N 3.32Å; I1258-R1261 WeakPolarHBondContact O-CB 3.14Å; I1258-R1261 PolarHBondContact O-N 2.94Å; I1258-K1262 PolarHBondContact O-N 3.48Å; I1258-F1449 HydrophobicContact CD1-CZ 4.14Å; I1258-F1449 HydrophobicContact CG1-CD2 4.5Å; I1258-F1449 HydrophobicContact CG1-CE1 4.39Å; I1258-F1449 HydrophobicContact CG1-CE2 3.6Å; I1258-F1449 HydrophobicContact CG1-CZ 3.53Å |
| 1259 | R | 93.1 | Very high | 91.7 | Very high | 35 Ų | 35 | 30.7 Ų | 30.7 | 13% | 0.132 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.3 | -38.1 | 174 | -71.5 | -167.8 | -62.2 | -82.9 | 5.6 | 112.6 | V1230 N1233 L1250 W1255 R1256 G1257 K1262 T1263 | V1230-R1259 HydrophobicContact CG1-CG 4.04Å; V1230-R1259 VanDerWaalsContact O-CD 3.28Å; V1230-R1259 WeakPolarHBondContact O-CD 3.27Å; V1230-R1259 WeakPolarHBondContact O-CG 3.29Å; N1233-R1259 VanDerWaalsContact OD1-CZ 3.22Å; N1233-R1259 PolarHBondContact OD1-NE 2.97Å; L1250-R1259 PolarHBondContact O-NH1 2.82Å; L1250-R1259 PolarHBondContact O-NH2 2.9Å; W1255-R1259 PolarHBondContact O-N 3.39Å; W1255-R1259 VanDerWaalsContact O-N 3.09Å; W1255-R1259 PolarHBondContact O-NH1 3.47Å; R1256-R1259 PolarHBondContact O-N 2.9Å; G1257-R1259 VanDerWaalsContact C-N 3.35Å; G1257-R1259 PolarHBondContact O-N 2.96Å; R1259-K1262 WeakPolarHBondContact O-CB 3.4Å; R1259-K1262 PolarHBondContact O-N 3.12Å; R1259-T1263 PolarHBondContact O-N 3.13Å; R1259-T1263 PolarHBondContact O-OG1 3.49Å |
| 1260 | Q | 91.6 | Very high | 92 | Very high | 61 Ų | 61 | 34.8 Ų | 34.8 | 29% | 0.285 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66 | -39.5 | 174.4 | -169.8 | 64.8 | 28.6 | 0 | 0 | 111.6 | R1256 G1257 K1262 T1263 H1264 D1444 | R1256-Q1260 PolarHBondContact O-N 2.8Å; G1257-Q1260 WeakPolarHBondContact O-CB 3.39Å; G1257-Q1260 PolarHBondContact O-N 3.36Å; G1257-Q1260 VanDerWaalsContact O-N 3.12Å; Q1260-K1262 VanDerWaalsContact C-N 3.31Å; Q1260-K1262 PolarHBondContact O-N 3.49Å; Q1260-T1263 WeakPolarHBondContact O-CB 3.26Å; Q1260-T1263 PolarHBondContact O-N 3.3Å; Q1260-T1263 VanDerWaalsContact O-N 3.11Å; Q1260-H1264 PolarHBondContact NE2-NE2 2.9Å; Q1260-H1264 PolarHBondContact O-N 2.77Å; Q1260-D1444 HydrophobicContact CB-CB 4.04Å; Q1260-D1444 HydrophobicContact CG-CB 3.71Å |
| 1261 | R | 93.5 | Very high | 92.2 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 2% | 0.023 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.5 | -45.5 | 172.6 | -175.7 | -176.1 | 70 | -177.4 | 0.6 | 111 | Y1231 G1257 I1258 T1263 H1264 L1265 E1365 T1393 F1449 V1451 | Y1231-R1261 PolarHBondContact OH-NH2 2.91Å; G1257-R1261 PolarHBondContact O-N 3.39Å; I1258-R1261 WeakPolarHBondContact O-CB 3.14Å; I1258-R1261 PolarHBondContact O-N 2.94Å; R1261-T1263 PolarHBondContact O-N 3.33Å; R1261-H1264 PolarHBondContact O-N 2.87Å; R1261-L1265 HydrophobicContact CG-CD1 4.18Å; R1261-L1265 WeakPolarHBondContact O-CG 3.43Å; R1261-L1265 PolarHBondContact O-N 3.39Å; R1261-E1365 IonicContact NH1-OE1 3.34Å; R1261-E1365 IonicContact NH1-OE2 3.01Å; R1261-E1365 PolarHBondContact NH1-OE2 2.7Å; R1261-T1393 HydrophobicContact CG-CG2 4.1Å; R1261-F1449 HydrophobicContact CB-CB 4.09Å; R1261-F1449 HydrophobicContact CB-CG 4.35Å; R1261-F1449 HydrophobicContact CG-CB 4.24Å; R1261-V1451 HydrophobicContact CG-CG2 3.94Å |
| 1262 | K | 93.5 | Very high | 92.4 | Very high | 23 Ų | 23 | 33.8 Ų | 33.8 | 10% | 0.1 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.5 | -47.9 | 173 | 169.8 | 177.5 | 179.5 | -176 | 0 | 112 | Y1231 I1258 R1259 Q1260 H1264 L1265 Q1266 D1298 | Y1231-K1262 HydrophobicContact CD1-CB 3.83Å; Y1231-K1262 HydrophobicContact CD1-CD 3.61Å; Y1231-K1262 HydrophobicContact CD1-CG 4.29Å; Y1231-K1262 HydrophobicContact CE1-CB 3.62Å; Y1231-K1262 HydrophobicContact CE1-CD 4.21Å; Y1231-K1262 HydrophobicContact CE1-CG 4.42Å; Y1231-K1262 HydrophobicContact CG-CD 3.9Å; I1258-K1262 PolarHBondContact O-N 3.48Å; R1259-K1262 WeakPolarHBondContact O-CB 3.4Å; R1259-K1262 PolarHBondContact O-N 3.12Å; Q1260-K1262 VanDerWaalsContact C-N 3.31Å; Q1260-K1262 PolarHBondContact O-N 3.49Å; K1262-H1264 VanDerWaalsContact C-N 3.34Å; K1262-H1264 PolarHBondContact O-N 3.35Å; K1262-L1265 PolarHBondContact O-N 2.91Å; K1262-Q1266 WeakPolarHBondContact O-CG 3.3Å; K1262-Q1266 PolarHBondContact O-N 3.03Å; K1262-D1298 VanDerWaalsContact CE-OD2 3.23Å; K1262-D1298 WeakPolarHBondContact CE-OD2 3.38Å; K1262-D1298 IonicContact NZ-OD2 3.63Å; K1262-D1298 PolarHBondContact NZ-OD2 2.98Å |
| 1263 | T | 93.5 | Very high | 92.6 | Very high | 60 Ų | 60 | 32.5 Ų | 32.5 | 37% | 0.368 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 178.1 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | R1259 Q1260 R1261 Q1266 I1267 | R1259-T1263 PolarHBondContact O-N 3.13Å; R1259-T1263 PolarHBondContact O-OG1 3.49Å; Q1260-T1263 WeakPolarHBondContact O-CB 3.26Å; Q1260-T1263 PolarHBondContact O-N 3.3Å; Q1260-T1263 VanDerWaalsContact O-N 3.11Å; R1261-T1263 PolarHBondContact O-N 3.33Å; T1263-Q1266 PolarHBondContact O-N 2.88Å; T1263-I1267 HydrophobicContact CG2-CD1 4.29Å; T1263-I1267 WeakPolarHBondContact O-CG1 3.49Å; T1263-I1267 PolarHBondContact O-N 2.9Å |
| 1264 | H | 94.3 | Very high | 92.8 | Very high | 19 Ų | 19 | 33.5 Ų | 33.5 | 9% | 0.088 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.2 | -39.7 | 176.9 | -68.7 | 167.5 | 0 | 0 | 0 | 113 | Q1260 R1261 K1262 I1267 L1268 R1442 I1443 V1451 | Q1260-H1264 PolarHBondContact NE2-NE2 2.9Å; Q1260-H1264 PolarHBondContact O-N 2.77Å; R1261-H1264 PolarHBondContact O-N 2.87Å; K1262-H1264 VanDerWaalsContact C-N 3.34Å; K1262-H1264 PolarHBondContact O-N 3.35Å; H1264-I1267 PolarHBondContact O-N 3.35Å; H1264-L1268 PolarHBondContact O-N 3.47Å; H1264-R1442 HydrophobicContact CB-CB 3.99Å; H1264-I1443 VanDerWaalsContact CE1-C 3.42Å; H1264-I1443 PolarHBondContact CE1-O 3.25Å; H1264-V1451 HydrophobicContact CB-CB 4.06Å; H1264-V1451 HydrophobicContact CB-CG2 3.57Å |
| 1265 | L | 94 | Very high | 93 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.1 | -48.4 | 171.7 | -79 | 162.6 | 0 | 0 | 0 | 110.9 | R1261 K1262 I1267 L1268 I1269 Y1295 I1359 S1361 I1391 T1393 V1451 | R1261-L1265 HydrophobicContact CG-CD1 4.18Å; R1261-L1265 WeakPolarHBondContact O-CG 3.43Å; R1261-L1265 PolarHBondContact O-N 3.39Å; K1262-L1265 PolarHBondContact O-N 2.91Å; L1265-I1267 VanDerWaalsContact C-N 3.29Å; L1265-I1267 PolarHBondContact O-N 3.34Å; L1265-L1268 PolarHBondContact O-N 3.35Å; L1265-I1269 HydrophobicContact CB-CD1 4.38Å; L1265-I1269 WeakPolarHBondContact O-CB 3.27Å; L1265-I1269 WeakPolarHBondContact O-CD1 3.4Å; L1265-I1269 WeakPolarHBondContact O-CG1 3.42Å; L1265-I1269 PolarHBondContact O-N 2.78Å; L1265-Y1295 HydrophobicContact CD1-CD2 4.04Å; L1265-Y1295 HydrophobicContact CD1-CE2 4.29Å; L1265-Y1295 HydrophobicContact CD1-CG 4.48Å; L1265-I1359 HydrophobicContact CD2-CG2 4.4Å; L1265-S1361 VanDerWaalsContact CD1-OG 3.29Å; L1265-S1361 WeakPolarHBondContact CD1-OG 3.37Å; L1265-I1391 HydrophobicContact CD2-CG2 3.75Å; L1265-T1393 HydrophobicContact CD1-CG2 4.2Å; L1265-T1393 HydrophobicContact CD2-CG2 3.89Å; L1265-T1393 HydrophobicContact CG-CG2 4.23Å; L1265-V1451 HydrophobicContact CD2-CG1 3.59Å; L1265-V1451 HydrophobicContact CG-CG1 3.9Å; L1265-V1451 HydrophobicContact CG-CG2 4.22Å |
| 1266 | Q | 94.3 | Very high | 93 | Very high | 49 Ų | 49 | 35.1 Ų | 35.1 | 23% | 0.229 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.1 | -38.6 | 178.5 | -68.7 | 175.6 | -51.6 | 0 | 0 | 112.9 | K1262 T1263 K1270 D1298 A1299 | K1262-Q1266 WeakPolarHBondContact O-CG 3.3Å; K1262-Q1266 PolarHBondContact O-N 3.03Å; T1263-Q1266 PolarHBondContact O-N 2.88Å; Q1266-K1270 WeakPolarHBondContact O-CG 3.5Å; Q1266-K1270 PolarHBondContact O-N 2.97Å; Q1266-D1298 VanDerWaalsContact NE2-CB 3.28Å; Q1266-A1299 HydrophobicContact CB-CB 4.37Å; Q1266-A1299 HydrophobicContact CG-CB 4.04Å |
| 1267 | I | 93.8 | Very high | 92.8 | Very high | 79 Ų | 79 | 36.6 Ų | 36.6 | 41% | 0.405 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.8 | -47.6 | 177.7 | -68.3 | 165.8 | 0 | 0 | 0 | 110.9 | T1263 H1264 L1265 K1270 Q1271 | T1263-I1267 HydrophobicContact CG2-CD1 4.29Å; T1263-I1267 WeakPolarHBondContact O-CG1 3.49Å; T1263-I1267 PolarHBondContact O-N 2.9Å; H1264-I1267 PolarHBondContact O-N 3.35Å; L1265-I1267 VanDerWaalsContact C-N 3.29Å; L1265-I1267 PolarHBondContact O-N 3.34Å; I1267-K1270 PolarHBondContact O-N 2.81Å; I1267-Q1271 PolarHBondContact O-N 3.02Å; I1267-Q1271 VanDerWaalsContact O-N 3.1Å |
| 1268 | L | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -74.7 | -32.4 | -177.2 | -70 | -179.5 | 0 | 0 | 0 | 112.9 | H1264 L1265 K1270 Q1271 A1272 I1391 T1440 R1442 V1451 | H1264-L1268 PolarHBondContact O-N 3.47Å; L1265-L1268 PolarHBondContact O-N 3.35Å; L1268-K1270 VanDerWaalsContact C-N 3.34Å; L1268-K1270 PolarHBondContact O-N 3.19Å; L1268-Q1271 PolarHBondContact O-N 2.87Å; L1268-A1272 WeakPolarHBondContact O-CB 3.27Å; L1268-A1272 PolarHBondContact O-N 3.5Å; L1268-I1391 HydrophobicContact CB-CD1 4.24Å; L1268-T1440 HydrophobicContact CD2-CG2 3.89Å; L1268-R1442 HydrophobicContact CD1-CG 4.07Å; L1268-R1442 HydrophobicContact CD2-CG 4.28Å; L1268-R1442 HydrophobicContact CG-CG 4.16Å; L1268-V1451 HydrophobicContact CD1-CB 4.01Å; L1268-V1451 HydrophobicContact CD1-CG1 3.71Å; L1268-V1451 VanDerWaalsContact CD1-O 3.28Å; L1268-V1451 WeakPolarHBondContact CD1-O 3.44Å |
| 1269 | I | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.7 | -48 | 171.6 | -71.1 | 164.8 | 0 | 0 | 0 | 109.7 | L1265 Q1271 A1272 V1273 A1299 L1300 I1359 I1391 | L1265-I1269 HydrophobicContact CB-CD1 4.38Å; L1265-I1269 WeakPolarHBondContact O-CB 3.27Å; L1265-I1269 WeakPolarHBondContact O-CD1 3.4Å; L1265-I1269 WeakPolarHBondContact O-CG1 3.42Å; L1265-I1269 PolarHBondContact O-N 2.78Å; I1269-Q1271 VanDerWaalsContact C-N 3.34Å; I1269-Q1271 PolarHBondContact O-N 2.96Å; I1269-A1272 PolarHBondContact O-N 3.18Å; I1269-V1273 VanDerWaalsContact O-CG2 3.25Å; I1269-V1273 WeakPolarHBondContact O-CG2 3.29Å; I1269-V1273 PolarHBondContact O-N 2.67Å; I1269-A1299 HydrophobicContact CB-CB 4.36Å; I1269-A1299 HydrophobicContact CD1-CB 4.1Å; I1269-A1299 HydrophobicContact CG2-CB 4.03Å; I1269-L1300 HydrophobicContact CG2-CD1 4.48Å; I1269-L1300 HydrophobicContact CG2-CD2 3.53Å; I1269-L1300 HydrophobicContact CG2-CG 4.06Å; I1269-I1359 HydrophobicContact CD1-CD1 3.75Å; I1269-I1359 HydrophobicContact CG1-CD1 3.82Å; I1269-I1359 HydrophobicContact CG1-CG1 4.5Å; I1269-I1391 HydrophobicContact CB-CD1 4.28Å; I1269-I1391 HydrophobicContact CG1-CD1 3.73Å |
| 1270 | K | 93.5 | Very high | 91.8 | Very high | 107 Ų | 107 | 46.5 Ų | 46.5 | 47% | 0.465 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 177.8 | -74.2 | -176 | 171.3 | -163.8 | 0 | 113 | Q1266 I1267 L1268 A1274 E1303 | Q1266-K1270 WeakPolarHBondContact O-CG 3.5Å; Q1266-K1270 PolarHBondContact O-N 2.97Å; I1267-K1270 PolarHBondContact O-N 2.81Å; L1268-K1270 VanDerWaalsContact C-N 3.34Å; L1268-K1270 PolarHBondContact O-N 3.19Å; K1270-A1274 PolarHBondContact O-N 2.85Å; K1270-E1303 IonicContact NZ-OE1 3.18Å |
| 1271 | Q | 93.6 | Very high | 91.4 | Very high | 66 Ų | 66 | 45.7 Ų | 45.7 | 31% | 0.308 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 174.9 | -174.1 | 175.6 | -16.8 | 0 | 0 | 111.2 | I1267 L1268 I1269 V1273 A1274 D1275 | I1267-Q1271 PolarHBondContact O-N 3.02Å; I1267-Q1271 VanDerWaalsContact O-N 3.1Å; L1268-Q1271 PolarHBondContact O-N 2.87Å; I1269-Q1271 VanDerWaalsContact C-N 3.34Å; I1269-Q1271 PolarHBondContact O-N 2.96Å; Q1271-V1273 VanDerWaalsContact C-N 3.33Å; Q1271-V1273 PolarHBondContact O-N 2.95Å; Q1271-A1274 WeakPolarHBondContact O-CB 3.5Å; Q1271-A1274 PolarHBondContact O-N 3.23Å; Q1271-A1274 VanDerWaalsContact O-N 3.12Å; Q1271-D1275 VanDerWaalsContact O-CG 3.29Å; Q1271-D1275 PolarHBondContact O-N 3.23Å |
| 1272 | A | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1268 I1269 A1274 D1275 L1276 L1357 I1389 I1391 M1453 | L1268-A1272 WeakPolarHBondContact O-CB 3.27Å; L1268-A1272 PolarHBondContact O-N 3.5Å; I1269-A1272 PolarHBondContact O-N 3.18Å; A1272-A1274 VanDerWaalsContact C-N 3.34Å; A1272-A1274 PolarHBondContact O-N 2.76Å; A1272-D1275 PolarHBondContact O-N 3.29Å; A1272-L1276 WeakPolarHBondContact O-CB 3.31Å; A1272-L1276 VanDerWaalsContact O-CG 3.32Å; A1272-L1276 WeakPolarHBondContact O-CG 3.47Å; A1272-L1276 PolarHBondContact O-N 2.76Å; A1272-L1357 HydrophobicContact CB-CD1 3.76Å; A1272-L1357 HydrophobicContact CB-CD2 4.08Å; A1272-I1389 HydrophobicContact CB-CD1 4.06Å; A1272-I1389 HydrophobicContact CB-CG2 4.04Å; A1272-I1391 HydrophobicContact CB-CD1 4.02Å; A1272-M1453 HydrophobicContact CB-SD 3.85Å |
| 1273 | V | 94 | Very high | 91.1 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -44 | 173.6 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | I1269 Q1271 H1277 V1283 L1300 A1305 V1306 L1357 | I1269-V1273 VanDerWaalsContact O-CG2 3.25Å; I1269-V1273 WeakPolarHBondContact O-CG2 3.29Å; I1269-V1273 PolarHBondContact O-N 2.67Å; Q1271-V1273 VanDerWaalsContact C-N 3.33Å; Q1271-V1273 PolarHBondContact O-N 2.95Å; V1273-H1277 WeakPolarHBondContact O-CB 3.35Å; V1273-H1277 PolarHBondContact O-N 2.85Å; V1273-V1283 HydrophobicContact CG1-CG1 4.43Å; V1273-V1283 HydrophobicContact CG1-CG2 4.5Å; V1273-V1283 HydrophobicContact CG2-CG1 4.08Å; V1273-L1300 HydrophobicContact CG2-CD2 4.09Å; V1273-A1305 HydrophobicContact CG1-CB 4.12Å; V1273-V1306 HydrophobicContact CG1-CG2 4.36Å; V1273-V1306 HydrophobicContact CG2-CG2 4.15Å; V1273-L1357 HydrophobicContact CG2-CD2 4.35Å |
| 1274 | A | 91.9 | Very high | 91.2 | Very high | 55 Ų | 55 | 46.3 Ų | 46.3 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1270 Q1271 A1272 H1277 A1278 | K1270-A1274 PolarHBondContact O-N 2.85Å; Q1271-A1274 WeakPolarHBondContact O-CB 3.5Å; Q1271-A1274 PolarHBondContact O-N 3.23Å; Q1271-A1274 VanDerWaalsContact O-N 3.12Å; A1272-A1274 VanDerWaalsContact C-N 3.34Å; A1272-A1274 PolarHBondContact O-N 2.76Å; A1274-H1277 PolarHBondContact O-N 2.69Å; A1274-A1278 WeakPolarHBondContact O-CB 3.31Å; A1274-A1278 PolarHBondContact O-N 2.55Å |
| 1275 | D | 90 | Very high | 91.3 | Very high | 56 Ų | 56 | 45.6 Ų | 45.6 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 179.7 | -66.9 | -14.9 | 0 | 0 | 0 | 111.3 | Q1271 A1272 A1278 K1279 I1389 M1453 | Q1271-D1275 VanDerWaalsContact O-CG 3.29Å; Q1271-D1275 PolarHBondContact O-N 3.23Å; A1272-D1275 PolarHBondContact O-N 3.29Å; D1275-A1278 PolarHBondContact O-N 3.28Å; D1275-K1279 VanDerWaalsContact O-CG 3.28Å; D1275-K1279 WeakPolarHBondContact O-CG 3.44Å; D1275-K1279 PolarHBondContact O-N 3.13Å; D1275-I1389 HydrophobicContact CB-CD1 3.96Å; D1275-M1453 WeakPolarHBondContact OD2-CE 3.15Å |
| 1276 | L | 91.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65 | -40.3 | 175 | -74.2 | 170 | 0 | 0 | 0 | 112.5 | A1272 K1279 G1280 L1281 V1283 T1356 L1357 I1389 | A1272-L1276 WeakPolarHBondContact O-CB 3.31Å; A1272-L1276 VanDerWaalsContact O-CG 3.32Å; A1272-L1276 WeakPolarHBondContact O-CG 3.47Å; A1272-L1276 PolarHBondContact O-N 2.76Å; L1276-K1279 CarbonylContact O-C 3.58Å; L1276-K1279 PolarHBondContact O-N 3.17Å; L1276-G1280 PolarHBondContact O-N 3.19Å; L1276-L1281 HydrophobicContact CD2-CB 4.25Å; L1276-L1281 HydrophobicContact CD2-CD1 3.87Å; L1276-L1281 PolarHBondContact O-N 2.94Å; L1276-V1283 HydrophobicContact CB-CG2 3.98Å; L1276-V1283 HydrophobicContact CD1-CG1 4.28Å; L1276-T1356 WeakPolarHBondContact CD1-O 3.41Å; L1276-L1357 HydrophobicContact CD1-CB 3.79Å; L1276-I1389 HydrophobicContact CD1-CD1 4.47Å; L1276-I1389 HydrophobicContact CD1-CG1 4.45Å; L1276-I1389 HydrophobicContact CD2-CD1 4.15Å; L1276-I1389 HydrophobicContact CD2-CG1 3.89Å; L1276-I1389 HydrophobicContact CG-CD1 3.82Å; L1276-I1389 HydrophobicContact CG-CG1 4.01Å |
| 1277 | H | 88.5 | Confident | 91.4 | Very high | 136 Ų | 136 | 43.3 Ų | 43.3 | 63% | 0.63 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65.3 | -40.4 | 176.3 | -173.7 | -129.5 | 0 | 0 | 0 | 111.6 | V1273 A1274 K1279 G1280 | V1273-H1277 WeakPolarHBondContact O-CB 3.35Å; V1273-H1277 PolarHBondContact O-N 2.85Å; A1274-H1277 PolarHBondContact O-N 2.69Å; H1277-K1279 VanDerWaalsContact C-N 3.3Å; H1277-K1279 PolarHBondContact O-N 3.01Å; H1277-G1280 PolarHBondContact O-N 3.11Å; H1277-G1280 VanDerWaalsContact O-N 3.1Å |
| 1278 | A | 84.7 | Confident | 91.5 | Very high | 90 Ų | 90 | 39.7 Ų | 39.7 | 74% | 0.744 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -65.8 | -30.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | A1274 D1275 G1280 | A1274-A1278 WeakPolarHBondContact O-CB 3.31Å; A1274-A1278 PolarHBondContact O-N 2.55Å; D1275-A1278 PolarHBondContact O-N 3.28Å; A1278-G1280 PolarHBondContact O-N 3.17Å |
| 1279 | K | 83.8 | Confident | 91.3 | Very high | 93 Ų | 93 | 40.5 Ų | 40.5 | 40% | 0.404 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -4.6 | 172.4 | -70.9 | 171.1 | -179.9 | 178.8 | 0 | 113.6 | D1275 L1276 H1277 L1281 G1387 D1455 | D1275-K1279 VanDerWaalsContact O-CG 3.28Å; D1275-K1279 WeakPolarHBondContact O-CG 3.44Å; D1275-K1279 PolarHBondContact O-N 3.13Å; L1276-K1279 CarbonylContact O-C 3.58Å; L1276-K1279 PolarHBondContact O-N 3.17Å; H1277-K1279 VanDerWaalsContact C-N 3.3Å; H1277-K1279 PolarHBondContact O-N 3.01Å; K1279-L1281 VanDerWaalsContact C-N 3.29Å; K1279-L1281 HydrophobicContact CB-CD1 4.41Å; K1279-L1281 HydrophobicContact CB-CG 4.38Å; K1279-L1281 PolarHBondContact O-N 3.42Å; K1279-G1387 PolarHBondContact NZ-O 3.42Å; K1279-D1455 VanDerWaalsContact NZ-CG 3.31Å; K1279-D1455 IonicContact NZ-OD1 3.34Å; K1279-D1455 PolarHBondContact NZ-OD1 3.45Å; K1279-D1455 IonicContact NZ-OD2 3.35Å; K1279-D1455 PolarHBondContact NZ-OD2 3.07Å |
| 1280 | G | 83.4 | Confident | 91.1 | Very high | 69 Ų | 69 | 40.7 Ų | 40.7 | 71% | 0.711 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 16.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1276 H1277 A1278 | L1276-G1280 PolarHBondContact O-N 3.19Å; H1277-G1280 PolarHBondContact O-N 3.11Å; H1277-G1280 VanDerWaalsContact O-N 3.1Å; A1278-G1280 PolarHBondContact O-N 3.17Å |
| 1281 | L | 83.9 | Confident | 90.8 | Very high | 44 Ų | 44 | 36.1 Ų | 36.1 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | trans | -92.2 | 137.1 | 179 | -67.4 | 174.7 | 0 | 0 | 0 | 111 | L1276 K1279 V1283 T1356 | L1276-L1281 HydrophobicContact CD2-CB 4.25Å; L1276-L1281 HydrophobicContact CD2-CD1 3.87Å; L1276-L1281 PolarHBondContact O-N 2.94Å; K1279-L1281 VanDerWaalsContact C-N 3.29Å; K1279-L1281 HydrophobicContact CB-CD1 4.41Å; K1279-L1281 HydrophobicContact CB-CG 4.38Å; K1279-L1281 PolarHBondContact O-N 3.42Å; L1281-V1283 PolarHBondContact O-N 3.2Å; L1281-T1356 HydrophobicContact CB-CG2 4.41Å | ||
| 1282 | A | 88 | Confident | 90.5 | Very high | 57 Ų | 57 | 33.4 Ų | 33.4 | 47% | 0.471 | 22% | 0.216 | S | C | . | . | trans | -64.4 | 128.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | R1284 T1356 | A1282-R1284 PolarHBondContact O-N 2.93Å; A1282-T1356 WeakPolarHBondContact O-CB 3.29Å; A1282-T1356 WeakPolarHBondContact O-CG2 3.37Å; A1282-T1356 PolarHBondContact O-OG1 3.46Å | ||
| 1283 | V | 93.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 102 | -173.5 | -170.9 | 0 | 0 | 0 | 0 | 110.9 | V1273 L1276 L1281 V1285 A1305 V1306 S1307 T1356 | V1273-V1283 HydrophobicContact CG1-CG1 4.43Å; V1273-V1283 HydrophobicContact CG1-CG2 4.5Å; V1273-V1283 HydrophobicContact CG2-CG1 4.08Å; L1276-V1283 HydrophobicContact CB-CG2 3.98Å; L1276-V1283 HydrophobicContact CD1-CG1 4.28Å; L1281-V1283 PolarHBondContact O-N 3.2Å; V1283-V1285 HydrophobicContact CG1-CG2 4.18Å; V1283-A1305 WeakPolarHBondContact CB-O 3.41Å; V1283-V1306 HydrophobicContact CB-CG2 4.43Å; V1283-V1306 HydrophobicContact CG1-CG2 3.92Å; V1283-V1306 WeakPolarHBondContact O-CA 3.34Å; V1283-S1307 PolarHBondContact O-N 2.61Å; V1283-S1307 PolarHBondContact O-OG 2.92Å; V1283-T1356 WeakPolarHBondContact CA-OG1 3.37Å |
| 1284 | R | 94.7 | Very high | 90.1 | Very high | 43 Ų | 43 | 35.7 Ų | 35.7 | 16% | 0.162 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 115.9 | 177.4 | -70.7 | 167.7 | -73.1 | -173.8 | -0.3 | 108.8 | A1282 S1307 D1308 P1353 R1354 P1355 T1356 L1357 E1385 | A1282-R1284 PolarHBondContact O-N 2.93Å; R1284-S1307 VanDerWaalsContact CG-OG 3.26Å; R1284-S1307 WeakPolarHBondContact CG-OG 3.41Å; R1284-D1308 HydrophobicContact CG-CB 4.18Å; R1284-P1353 HydrophobicContact CG-CG 4.35Å; R1284-R1354 WeakPolarHBondContact CD-O 3.43Å; R1284-R1354 VanDerWaalsContact CZ-O 3.24Å; R1284-R1354 PolarHBondContact NE-O 3.47Å; R1284-R1354 VanDerWaalsContact NE-O 3.17Å; R1284-P1355 WeakPolarHBondContact O-CA 3.29Å; R1284-T1356 PolarHBondContact N-OG1 3.28Å; R1284-T1356 PolarHBondContact O-N 2.77Å; R1284-L1357 PolarHBondContact O-N 2.89Å; R1284-E1385 IonicContact CZ-OE1 3.9Å; R1284-E1385 VanDerWaalsContact CZ-OE1 3.26Å; R1284-E1385 IonicContact CZ-OE2 3.15Å; R1284-E1385 IonicContact NH1-OE1 3.97Å; R1284-E1385 PolarHBondContact NH1-OE1 3.38Å; R1284-E1385 VanDerWaalsContact NH1-OE1 3.15Å; R1284-E1385 IonicContact NH2-OE1 2.85Å; R1284-E1385 PolarHBondContact NH2-OE1 3.18Å; R1284-E1385 IonicContact NH2-OE2 3.73Å; R1284-E1385 PolarHBondContact NH2-OE2 3.08Å |
| 1285 | V | 95.9 | Very high | 90 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.6 | -170 | -173.4 | 0 | 0 | 0 | 0 | 110.1 | V1283 L1300 V1306 D1308 I1309 L1310 L1357 I1359 | V1283-V1285 HydrophobicContact CG1-CG2 4.18Å; V1285-L1300 HydrophobicContact CB-CD1 4.25Å; V1285-L1300 HydrophobicContact CG1-CD1 4.12Å; V1285-L1300 HydrophobicContact CG2-CD1 3.89Å; V1285-V1306 HydrophobicContact CG2-CG1 3.78Å; V1285-V1306 HydrophobicContact CG2-CG2 4.5Å; V1285-D1308 PolarHBondContact N-O 2.96Å; V1285-I1309 HydrophobicContact CB-CG1 4.36Å; V1285-I1309 CarbonylContact O-C 3.47Å; V1285-I1309 WeakPolarHBondContact O-CA 3.41Å; V1285-L1310 PolarHBondContact O-N 3.36Å; V1285-L1357 CarbonylContact C-O 3.45Å; V1285-L1357 VanDerWaalsContact CA-O 3.29Å; V1285-L1357 WeakPolarHBondContact CA-O 3.49Å; V1285-L1357 HydrophobicContact CG1-CD2 4.3Å; V1285-L1357 HydrophobicContact CG1-CG 4.31Å; V1285-L1357 HydrophobicContact CG2-CB 4.23Å; V1285-L1357 HydrophobicContact CG2-CD2 4Å; V1285-L1357 HydrophobicContact CG2-CG 4.43Å; V1285-I1359 HydrophobicContact CG1-CD1 3.64Å; V1285-I1359 HydrophobicContact CG1-CG1 4.32Å |
| 1286 | V | 96.3 | Very high | 90.1 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 138.9 | 166.1 | 69.6 | 0 | 0 | 0 | 0 | 110.8 | I1288 L1310 L1351 P1355 L1357 A1358 I1359 | V1286-I1288 HydrophobicContact CG2-CG2 4.16Å; V1286-L1310 CarbonylContact C-O 3.52Å; V1286-L1310 VanDerWaalsContact CA-O 3.27Å; V1286-L1310 WeakPolarHBondContact CA-O 3.47Å; V1286-L1310 HydrophobicContact CG2-CB 4.18Å; V1286-L1310 HydrophobicContact CG2-CD2 4.11Å; V1286-L1310 HydrophobicContact CG2-CG 4.15Å; V1286-L1351 HydrophobicContact CG2-CD1 4.1Å; V1286-P1355 HydrophobicContact CB-CB 4.01Å; V1286-P1355 HydrophobicContact CB-CG 4.37Å; V1286-P1355 HydrophobicContact CG1-CB 3.57Å; V1286-P1355 HydrophobicContact CG1-CG 3.69Å; V1286-L1357 PolarHBondContact N-O 3.39Å; V1286-A1358 HydrophobicContact CG1-CB 3.72Å; V1286-A1358 CarbonylContact O-C 3.37Å; V1286-A1358 WeakPolarHBondContact O-CA 3.38Å; V1286-I1359 PolarHBondContact O-N 3.43Å |
| 1287 | D | 95.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 115.6 | 163.3 | -167.7 | -40.7 | 0 | 0 | 0 | 108.7 | A1289 A1290 Y1295 V1296 L1310 L1311 R1312 I1359 | D1287-A1289 VanDerWaalsContact C-N 3.32Å; D1287-A1289 PolarHBondContact O-N 3.18Å; D1287-A1289 VanDerWaalsContact OD1-C 3.29Å; D1287-A1289 PolarHBondContact OD1-N 3.15Å; D1287-A1289 VanDerWaalsContact OD1-N 3.09Å; D1287-A1290 HydrophobicContact CB-CB 4.06Å; D1287-A1290 WeakPolarHBondContact OD1-CA 3.47Å; D1287-A1290 PolarHBondContact OD1-N 2.95Å; D1287-Y1295 VanDerWaalsContact CG-OH 3.3Å; D1287-Y1295 PolarHBondContact OD1-OH 3.38Å; D1287-Y1295 VanDerWaalsContact OD2-CE2 3.23Å; D1287-Y1295 WeakPolarHBondContact OD2-CE2 3.4Å; D1287-Y1295 PolarHBondContact OD2-OH 3.23Å; D1287-V1296 HydrophobicContact CB-CG2 4.24Å; D1287-V1296 WeakPolarHBondContact OD2-CG2 3.35Å; D1287-L1310 PolarHBondContact N-O 3.49Å; D1287-L1311 HydrophobicContact CB-CD2 3.8Å; D1287-L1311 CarbonylContact O-C 3.58Å; D1287-R1312 PolarHBondContact O-N 2.92Å; D1287-I1359 WeakPolarHBondContact CA-O 3.36Å; D1287-I1359 HydrophobicContact CB-CB 4.2Å; D1287-I1359 WeakPolarHBondContact OD2-CG2 3.4Å |
| 1288 | I | 94.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -11.1 | -171.2 | 63.9 | 170.1 | 0 | 0 | 0 | 113.6 | V1286 R1312 A1342 L1348 I1359 V1360 L1363 S1376 L1380 | V1286-I1288 HydrophobicContact CG2-CG2 4.16Å; I1288-R1312 CarbonylContact C-O 3.56Å; I1288-A1342 HydrophobicContact CB-CB 4.29Å; I1288-A1342 HydrophobicContact CD1-CB 4.04Å; I1288-A1342 HydrophobicContact CG1-CB 4.18Å; I1288-A1342 WeakPolarHBondContact O-CB 3.42Å; I1288-L1348 HydrophobicContact CB-CD2 4.13Å; I1288-L1348 HydrophobicContact CG2-CD2 3.57Å; I1288-I1359 PolarHBondContact N-O 3.48Å; I1288-V1360 HydrophobicContact CD1-CG1 4.39Å; I1288-V1360 HydrophobicContact CD1-CG2 3.79Å; I1288-V1360 HydrophobicContact CG1-CG1 4.49Å; I1288-V1360 HydrophobicContact CG1-CG2 3.97Å; I1288-L1363 HydrophobicContact CD1-CD2 4.04Å; I1288-L1363 HydrophobicContact CG1-CD2 4.32Å; I1288-S1376 WeakPolarHBondContact CD1-OG 3.43Å; I1288-L1380 HydrophobicContact CD1-CD1 3.85Å; I1288-L1380 HydrophobicContact CD1-CG 4.27Å; I1288-L1380 HydrophobicContact CG2-CD2 3.78Å |
| 1289 | A | 90.9 | Very high | 90.5 | Very high | 18 Ų | 18 | 22.8 Ų | 22.8 | 15% | 0.149 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -151.8 | 63.7 | -178 | 0 | 0 | 0 | 0 | 0 | 110.3 | D1287 G1291 R1312 A1342 L1363 | D1287-A1289 VanDerWaalsContact C-N 3.32Å; D1287-A1289 PolarHBondContact O-N 3.18Å; D1287-A1289 VanDerWaalsContact OD1-C 3.29Å; D1287-A1289 PolarHBondContact OD1-N 3.15Å; D1287-A1289 VanDerWaalsContact OD1-N 3.09Å; A1289-G1291 VanDerWaalsContact C-N 3.34Å; A1289-G1291 PolarHBondContact O-N 3.3Å; A1289-R1312 CarbonylContact C-O 3.55Å; A1289-R1312 WeakPolarHBondContact CA-O 3.27Å; A1289-R1312 PolarHBondContact N-O 2.92Å; A1289-A1342 HydrophobicContact CB-CB 4.49Å; A1289-L1363 HydrophobicContact CB-CB 3.9Å; A1289-L1363 HydrophobicContact CB-CD1 3.78Å; A1289-L1363 HydrophobicContact CB-CD2 3.91Å; A1289-L1363 HydrophobicContact CB-CG 4.06Å |
| 1290 | A | 90.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 3% | 0.025 | 12% | 0.121 | C | C | . | . | trans | -76.3 | -14.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1287 H1292 G1293 L1311 R1312 F1337 | D1287-A1290 HydrophobicContact CB-CB 4.06Å; D1287-A1290 WeakPolarHBondContact OD1-CA 3.47Å; D1287-A1290 PolarHBondContact OD1-N 2.95Å; A1290-H1292 PolarHBondContact O-N 3.33Å; A1290-G1293 WeakPolarHBondContact O-CA 3.4Å; A1290-G1293 PolarHBondContact O-N 3.29Å; A1290-L1311 HydrophobicContact CB-CB 3.94Å; A1290-L1311 HydrophobicContact CB-CD2 4.07Å; A1290-L1311 HydrophobicContact CB-CG 4.46Å; A1290-R1312 PolarHBondContact N-O 2.67Å; A1290-F1337 HydrophobicContact CB-CE2 4.47Å; A1290-F1337 HydrophobicContact CB-CZ 3.88Å | ||
| 1291 | G | 87.3 | Confident | 91 | Very high | 11 Ų | 11 | 16.4 Ų | 16.4 | 11% | 0.113 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | -120.3 | -166.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | A1289 D1313 N1318 F1337 | A1289-G1291 VanDerWaalsContact C-N 3.34Å; A1289-G1291 PolarHBondContact O-N 3.3Å; G1291-D1313 WeakPolarHBondContact CA-OD2 3.45Å; G1291-D1313 PolarHBondContact N-OD2 3.34Å; G1291-N1318 WeakPolarHBondContact O-CB 3.18Å; G1291-F1337 WeakPolarHBondContact O-CZ 3.39Å |
| 1292 | H | 88.4 | Confident | 90.9 | Very high | 10 Ų | 10 | 21.5 Ų | 21.5 | 5% | 0.046 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -4.2 | 168.7 | -60.9 | 178.2 | 0 | 0 | 0 | 113.4 | S1225 D1228 A1290 R1294 N1318 Q1321 M1325 | S1225-H1292 VanDerWaalsContact CA-CE1 3.45Å; S1225-H1292 WeakPolarHBondContact CA-CE1 3.23Å; S1225-H1292 WeakPolarHBondContact CA-NE2 3.5Å; S1225-H1292 PolarHBondContact N-NE2 2.86Å; S1225-H1292 PolarHBondContact OG-NE2 2.69Å; S1225-H1292 VanDerWaalsContact OG-NE2 3.17Å; D1228-H1292 HydrophobicContact CB-CB 4.39Å; D1228-H1292 VanDerWaalsContact CB-ND1 3.26Å; D1228-H1292 WeakPolarHBondContact CB-ND1 3.35Å; D1228-H1292 IonicContact OD1-ND1 3.99Å; D1228-H1292 IonicContact OD2-ND1 3.3Å; A1290-H1292 PolarHBondContact O-N 3.33Å; H1292-R1294 VanDerWaalsContact C-N 3.31Å; H1292-R1294 PolarHBondContact O-N 3.23Å; H1292-N1318 PolarHBondContact CD2-OD1 2.89Å; H1292-N1318 PolarHBondContact NE2-OD1 3.15Å; H1292-Q1321 PolarHBondContact CE1-OE1 2.68Å; H1292-Q1321 PolarHBondContact NE2-OE1 2.89Å; H1292-M1325 HydrophobicContact CB-CE 4.09Å |
| 1293 | G | 88.5 | Confident | 90.9 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | trans | 76.6 | 4.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | A1290 Y1295 V1296 L1297 | A1290-G1293 WeakPolarHBondContact O-CA 3.4Å; A1290-G1293 PolarHBondContact O-N 3.29Å; G1293-Y1295 VanDerWaalsContact C-N 3.29Å; G1293-Y1295 PolarHBondContact O-N 3.11Å; G1293-Y1295 VanDerWaalsContact O-N 3.13Å; G1293-V1296 PolarHBondContact O-N 3.39Å; G1293-V1296 VanDerWaalsContact O-N 3.13Å; G1293-L1297 WeakPolarHBondContact O-CG 3.23Å; G1293-L1297 PolarHBondContact O-N 3.39Å | ||
| 1294 | R | 90.9 | Very high | 90.3 | Very high | 54 Ų | 54 | 27 Ų | 27 | 20% | 0.204 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -53 | -39.5 | -172.6 | -173.7 | -180 | -63.4 | -95.8 | 1.4 | 114.2 | D1228 H1292 D1298 M1325 | D1228-R1294 WeakPolarHBondContact OD1-CB 3.36Å; D1228-R1294 IonicContact OD1-CZ 2.61Å; D1228-R1294 IonicContact OD1-NE 2.57Å; D1228-R1294 PolarHBondContact OD1-NE 3.22Å; D1228-R1294 IonicContact OD1-NH2 3.86Å; D1228-R1294 PolarHBondContact OD1-NH2 3.3Å; D1228-R1294 IonicContact OD2-CZ 3.36Å; D1228-R1294 IonicContact OD2-NE 3.45Å; D1228-R1294 PolarHBondContact OD2-NE 2.6Å; D1228-R1294 IonicContact OD2-NH2 3.35Å; D1228-R1294 PolarHBondContact OD2-NH2 3.05Å; H1292-R1294 VanDerWaalsContact C-N 3.31Å; H1292-R1294 PolarHBondContact O-N 3.23Å; R1294-D1298 VanDerWaalsContact O-CB 3.26Å; R1294-D1298 WeakPolarHBondContact O-CB 3.36Å; R1294-D1298 PolarHBondContact O-N 2.89Å; R1294-M1325 HydrophobicContact CB-CE 4.14Å; R1294-M1325 HydrophobicContact CB-SD 3.95Å; R1294-M1325 HydrophobicContact CG-SD 4.04Å |
| 1295 | Y | 90.1 | Very high | 89.7 | Confident | 6 Ų | 6 | 26.8 Ų | 26.8 | 2% | 0.024 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.1 | -35 | -177.4 | 59.1 | -90.2 | 0 | 0 | 0 | 113.3 | Y1231 L1265 D1287 G1293 A1299 I1359 S1361 | Y1231-Y1295 AromaticContact CE2-CD1 3.91Å; Y1231-Y1295 HydrophobicContact CE2-CD1 3.91Å; L1265-Y1295 HydrophobicContact CD1-CD2 4.04Å; L1265-Y1295 HydrophobicContact CD1-CE2 4.29Å; L1265-Y1295 HydrophobicContact CD1-CG 4.48Å; D1287-Y1295 VanDerWaalsContact CG-OH 3.3Å; D1287-Y1295 PolarHBondContact OD1-OH 3.38Å; D1287-Y1295 VanDerWaalsContact OD2-CE2 3.23Å; D1287-Y1295 WeakPolarHBondContact OD2-CE2 3.4Å; D1287-Y1295 PolarHBondContact OD2-OH 3.23Å; G1293-Y1295 VanDerWaalsContact C-N 3.29Å; G1293-Y1295 PolarHBondContact O-N 3.11Å; G1293-Y1295 VanDerWaalsContact O-N 3.13Å; Y1295-A1299 WeakPolarHBondContact O-CB 3.48Å; Y1295-A1299 PolarHBondContact O-N 3.07Å; Y1295-A1299 VanDerWaalsContact O-N 3.11Å; Y1295-I1359 HydrophobicContact CE2-CG2 4.25Å; Y1295-S1361 WeakPolarHBondContact OH-CB 3.45Å |
| 1296 | V | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.3 | -46.9 | 172.8 | -177 | 0 | 0 | 0 | 0 | 109.7 | D1287 G1293 D1298 A1299 L1300 I1309 L1311 I1359 | D1287-V1296 HydrophobicContact CB-CG2 4.24Å; D1287-V1296 WeakPolarHBondContact OD2-CG2 3.35Å; G1293-V1296 PolarHBondContact O-N 3.39Å; G1293-V1296 VanDerWaalsContact O-N 3.13Å; V1296-D1298 VanDerWaalsContact C-N 3.34Å; V1296-D1298 PolarHBondContact O-N 3.39Å; V1296-A1299 PolarHBondContact O-N 3.31Å; V1296-A1299 VanDerWaalsContact O-N 3.09Å; V1296-L1300 HydrophobicContact CG1-CD1 3.74Å; V1296-L1300 HydrophobicContact CG1-CG 4.39Å; V1296-L1300 PolarHBondContact O-N 3.48Å; V1296-I1309 HydrophobicContact CG1-CG2 4.13Å; V1296-L1311 HydrophobicContact CB-CD2 4.07Å; V1296-L1311 HydrophobicContact CG1-CD2 4.01Å; V1296-L1311 HydrophobicContact CG2-CD2 4.16Å; V1296-I1359 HydrophobicContact CG1-CD1 4.44Å; V1296-I1359 HydrophobicContact CG2-CD1 4.09Å |
| 1297 | L | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | 178 | -64.7 | 175.1 | 0 | 0 | 0 | 112.1 | G1293 A1299 A1301 L1311 M1325 I1326 M1331 V1335 | G1293-L1297 WeakPolarHBondContact O-CG 3.23Å; G1293-L1297 PolarHBondContact O-N 3.39Å; L1297-A1299 VanDerWaalsContact C-N 3.32Å; L1297-A1301 VanDerWaalsContact O-CB 3.29Å; L1297-A1301 WeakPolarHBondContact O-CB 3.27Å; L1297-A1301 PolarHBondContact O-N 3.46Å; L1297-A1301 VanDerWaalsContact O-N 3.11Å; L1297-L1311 HydrophobicContact CD2-CD1 4.31Å; L1297-L1311 HydrophobicContact CG-CD1 4.36Å; L1297-M1325 HydrophobicContact CD1-CB 4.38Å; L1297-M1325 HydrophobicContact CD1-CG 4.05Å; L1297-M1325 HydrophobicContact CD1-SD 3.83Å; L1297-I1326 HydrophobicContact CD1-CG1 4.08Å; L1297-I1326 HydrophobicContact CD2-CG1 4.05Å; L1297-M1331 HydrophobicContact CD2-CE 4.03Å; L1297-M1331 HydrophobicContact CD2-SD 4.13Å; L1297-V1335 HydrophobicContact CD2-CG1 4.17Å; L1297-V1335 HydrophobicContact CD2-CG2 4.13Å |
| 1298 | D | 90.3 | Very high | 88.7 | Confident | 55 Ų | 55 | 32.6 Ų | 32.6 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68 | -30.4 | 175.5 | -69.2 | -10.9 | 0 | 0 | 0 | 112.3 | K1262 Q1266 R1294 V1296 R1329 | K1262-D1298 VanDerWaalsContact CE-OD2 3.23Å; K1262-D1298 WeakPolarHBondContact CE-OD2 3.38Å; K1262-D1298 IonicContact NZ-OD2 3.63Å; K1262-D1298 PolarHBondContact NZ-OD2 2.98Å; Q1266-D1298 VanDerWaalsContact NE2-CB 3.28Å; R1294-D1298 VanDerWaalsContact O-CB 3.26Å; R1294-D1298 WeakPolarHBondContact O-CB 3.36Å; R1294-D1298 PolarHBondContact O-N 2.89Å; V1296-D1298 VanDerWaalsContact C-N 3.34Å; V1296-D1298 PolarHBondContact O-N 3.39Å; D1298-R1329 IonicContact OD1-CZ 2.9Å; D1298-R1329 IonicContact OD1-NH1 2.71Å; D1298-R1329 PolarHBondContact OD1-NH1 3.4Å; D1298-R1329 IonicContact OD1-NH2 2.81Å; D1298-R1329 PolarHBondContact OD1-NH2 2.95Å |
| 1299 | A | 90.9 | Very high | 88.7 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.033 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -75.7 | -41.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1266 I1269 Y1295 V1296 L1297 | Q1266-A1299 HydrophobicContact CB-CB 4.37Å; Q1266-A1299 HydrophobicContact CG-CB 4.04Å; I1269-A1299 HydrophobicContact CB-CB 4.36Å; I1269-A1299 HydrophobicContact CD1-CB 4.1Å; I1269-A1299 HydrophobicContact CG2-CB 4.03Å; Y1295-A1299 WeakPolarHBondContact O-CB 3.48Å; Y1295-A1299 PolarHBondContact O-N 3.07Å; Y1295-A1299 VanDerWaalsContact O-N 3.11Å; V1296-A1299 PolarHBondContact O-N 3.31Å; V1296-A1299 VanDerWaalsContact O-N 3.09Å; L1297-A1299 VanDerWaalsContact C-N 3.32Å |
| 1300 | L | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -105.4 | -1.9 | -167.1 | -60.3 | -178.7 | 0 | 0 | 0 | 114.5 | I1269 V1273 V1285 V1296 N1302 E1303 V1306 I1309 R1334 | I1269-L1300 HydrophobicContact CG2-CD1 4.48Å; I1269-L1300 HydrophobicContact CG2-CD2 3.53Å; I1269-L1300 HydrophobicContact CG2-CG 4.06Å; V1273-L1300 HydrophobicContact CG2-CD2 4.09Å; V1285-L1300 HydrophobicContact CB-CD1 4.25Å; V1285-L1300 HydrophobicContact CG1-CD1 4.12Å; V1285-L1300 HydrophobicContact CG2-CD1 3.89Å; V1296-L1300 HydrophobicContact CG1-CD1 3.74Å; V1296-L1300 HydrophobicContact CG1-CG 4.39Å; V1296-L1300 PolarHBondContact O-N 3.48Å; L1300-N1302 PolarHBondContact O-N 3.28Å; L1300-E1303 HydrophobicContact CD2-CB 4.37Å; L1300-E1303 HydrophobicContact CD2-CG 4.17Å; L1300-E1303 PolarHBondContact O-N 2.99Å; L1300-V1306 HydrophobicContact CD2-CG2 4.06Å; L1300-I1309 HydrophobicContact CB-CD1 3.86Å; L1300-I1309 HydrophobicContact CD1-CD1 3.65Å; L1300-I1309 HydrophobicContact CD1-CG1 4.05Å; L1300-I1309 HydrophobicContact CG-CD1 4.42Å; L1300-R1334 PolarHBondContact O-NH1 3.1Å |
| 1301 | A | 84.4 | Confident | 89.2 | Confident | 29 Ų | 29 | 32.2 Ų | 32.2 | 24% | 0.24 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -33 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1297 M1331 R1334 | L1297-A1301 VanDerWaalsContact O-CB 3.29Å; L1297-A1301 WeakPolarHBondContact O-CB 3.27Å; L1297-A1301 PolarHBondContact O-N 3.46Å; L1297-A1301 VanDerWaalsContact O-N 3.11Å; A1301-M1331 HydrophobicContact CB-SD 4.37Å; A1301-R1334 PolarHBondContact O-NH1 2.76Å; A1301-R1334 PolarHBondContact O-NH2 3.22Å |
| 1302 | N | 82.7 | Confident | 89.5 | Confident | 151 Ų | 151 | 32.5 Ų | 32.5 | 81% | 0.807 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.7 | 20.8 | -175.9 | -60.9 | -28.4 | 0 | 0 | 0 | 113.4 | L1300 P1304 | L1300-N1302 PolarHBondContact O-N 3.28Å; N1302-P1304 WeakPolarHBondContact O-CD 3.34Å |
| 1303 | E | 86.8 | Confident | 89.7 | Confident | 49 Ų | 49 | 32.6 Ų | 32.6 | 23% | 0.229 | 19% | 0.189 | C | C | . | . | trans | -97.7 | 109.1 | -179.3 | -67.1 | -60.5 | 162.7 | 0 | 0 | 111.4 | K1270 L1300 A1305 V1306 | K1270-E1303 IonicContact NZ-OE1 3.18Å; L1300-E1303 HydrophobicContact CD2-CB 4.37Å; L1300-E1303 HydrophobicContact CD2-CG 4.17Å; L1300-E1303 PolarHBondContact O-N 2.99Å; E1303-A1305 VanDerWaalsContact C-N 3.34Å; E1303-V1306 HydrophobicContact CB-CG2 4.16Å | ||
| 1304 | P | 82 | Confident | 89.7 | Confident | 125 Ų | 125 | 38.9 Ų | 38.9 | 81% | 0.812 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -18.9 | -175.9 | 30.9 | -35.2 | 0 | 0 | 0 | 113.6 | N1302 V1306 | N1302-P1304 WeakPolarHBondContact O-CD 3.34Å; P1304-V1306 PolarHBondContact O-N 3.35Å |
| 1305 | A | 82.1 | Confident | 89.4 | Confident | 39 Ų | 39 | 37.7 Ų | 37.7 | 32% | 0.322 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -13.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1273 V1283 E1303 | V1273-A1305 HydrophobicContact CG1-CB 4.12Å; V1283-A1305 WeakPolarHBondContact CB-O 3.41Å; E1303-A1305 VanDerWaalsContact C-N 3.34Å |
| 1306 | V | 88.5 | Confident | 89.3 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 117.2 | -177.2 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | V1273 V1283 V1285 L1300 E1303 P1304 I1309 | V1273-V1306 HydrophobicContact CG1-CG2 4.36Å; V1273-V1306 HydrophobicContact CG2-CG2 4.15Å; V1283-V1306 HydrophobicContact CB-CG2 4.43Å; V1283-V1306 HydrophobicContact CG1-CG2 3.92Å; V1283-V1306 WeakPolarHBondContact O-CA 3.34Å; V1285-V1306 HydrophobicContact CG2-CG1 3.78Å; V1285-V1306 HydrophobicContact CG2-CG2 4.5Å; L1300-V1306 HydrophobicContact CD2-CG2 4.06Å; E1303-V1306 HydrophobicContact CB-CG2 4.16Å; P1304-V1306 PolarHBondContact O-N 3.35Å; V1306-I1309 HydrophobicContact CG1-CD1 4.05Å; V1306-I1309 HydrophobicContact CG1-CG1 3.59Å |
| 1307 | S | 86.8 | Confident | 89 | Confident | 59 Ų | 59 | 48.5 Ų | 48.5 | 41% | 0.413 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -43.8 | -178.9 | 69.9 | 0 | 0 | 0 | 0 | 112.6 | V1283 R1284 | V1283-S1307 PolarHBondContact O-N 2.61Å; V1283-S1307 PolarHBondContact O-OG 2.92Å; R1284-S1307 VanDerWaalsContact CG-OG 3.26Å; R1284-S1307 WeakPolarHBondContact CG-OG 3.41Å |
| 1308 | D | 91.2 | Very high | 88.8 | Confident | 58 Ų | 58 | 49 Ų | 49 | 31% | 0.31 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 138.7 | -172.9 | -60.6 | -97.5 | 0 | 0 | 0 | 110.9 | R1284 V1285 P1353 | R1284-D1308 HydrophobicContact CG-CB 4.18Å; V1285-D1308 PolarHBondContact N-O 2.96Å; D1308-P1353 HydrophobicContact CB-CG 4.17Å |
| 1309 | I | 94.6 | Very high | 88.8 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 119.2 | 173.3 | -55.9 | 170.5 | 0 | 0 | 0 | 108.5 | V1285 V1296 L1300 V1306 L1311 M1331 R1334 V1335 R1336 | V1285-I1309 HydrophobicContact CB-CG1 4.36Å; V1285-I1309 CarbonylContact O-C 3.47Å; V1285-I1309 WeakPolarHBondContact O-CA 3.41Å; V1296-I1309 HydrophobicContact CG1-CG2 4.13Å; L1300-I1309 HydrophobicContact CB-CD1 3.86Å; L1300-I1309 HydrophobicContact CD1-CD1 3.65Å; L1300-I1309 HydrophobicContact CD1-CG1 4.05Å; L1300-I1309 HydrophobicContact CG-CD1 4.42Å; V1306-I1309 HydrophobicContact CG1-CD1 4.05Å; V1306-I1309 HydrophobicContact CG1-CG1 3.59Å; I1309-L1311 HydrophobicContact CG2-CD2 4.06Å; I1309-L1311 HydrophobicContact CG2-CG 4.26Å; I1309-M1331 HydrophobicContact CD1-CE 4.29Å; I1309-R1334 PolarHBondContact N-O 2.88Å; I1309-V1335 HydrophobicContact CB-CB 4.39Å; I1309-V1335 HydrophobicContact CB-CG1 4.17Å; I1309-V1335 HydrophobicContact CB-CG2 4.06Å; I1309-V1335 HydrophobicContact CD1-CG2 4.02Å; I1309-V1335 HydrophobicContact CG2-CG1 4Å; I1309-V1335 HydrophobicContact CG2-CG2 4.46Å; I1309-V1335 CarbonylContact O-C 3.44Å; I1309-V1335 VanDerWaalsContact O-CA 3.29Å; I1309-V1335 WeakPolarHBondContact O-CA 3.45Å; I1309-R1336 PolarHBondContact O-N 3.45Å |
| 1310 | L | 95.5 | Very high | 88.8 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 117.3 | 174 | 177.4 | 60.9 | 0 | 0 | 0 | 109.8 | V1285 V1286 D1287 R1312 R1336 E1338 L1351 | V1285-L1310 PolarHBondContact O-N 3.36Å; V1286-L1310 CarbonylContact C-O 3.52Å; V1286-L1310 VanDerWaalsContact CA-O 3.27Å; V1286-L1310 WeakPolarHBondContact CA-O 3.47Å; V1286-L1310 HydrophobicContact CG2-CB 4.18Å; V1286-L1310 HydrophobicContact CG2-CD2 4.11Å; V1286-L1310 HydrophobicContact CG2-CG 4.15Å; D1287-L1310 PolarHBondContact N-O 3.49Å; L1310-R1312 HydrophobicContact CD1-CG 4.41Å; L1310-R1312 HydrophobicContact CG-CG 4.22Å; L1310-R1336 HydrophobicContact CD1-CB 3.98Å; L1310-E1338 HydrophobicContact CD1-CB 4.37Å; L1310-E1338 HydrophobicContact CD1-CG 4.03Å; L1310-L1351 HydrophobicContact CD2-CD2 3.67Å |
| 1311 | L | 95.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 137.2 | 172.8 | -56.1 | 179 | 0 | 0 | 0 | 108.9 | D1287 A1290 V1296 L1297 I1309 I1326 V1335 R1336 F1337 E1338 | D1287-L1311 HydrophobicContact CB-CD2 3.8Å; D1287-L1311 CarbonylContact O-C 3.58Å; A1290-L1311 HydrophobicContact CB-CB 3.94Å; A1290-L1311 HydrophobicContact CB-CD2 4.07Å; A1290-L1311 HydrophobicContact CB-CG 4.46Å; V1296-L1311 HydrophobicContact CB-CD2 4.07Å; V1296-L1311 HydrophobicContact CG1-CD2 4.01Å; V1296-L1311 HydrophobicContact CG2-CD2 4.16Å; L1297-L1311 HydrophobicContact CD2-CD1 4.31Å; L1297-L1311 HydrophobicContact CG-CD1 4.36Å; I1309-L1311 HydrophobicContact CG2-CD2 4.06Å; I1309-L1311 HydrophobicContact CG2-CG 4.26Å; L1311-I1326 HydrophobicContact CD1-CD1 4.37Å; L1311-V1335 HydrophobicContact CD1-CG1 3.94Å; L1311-V1335 HydrophobicContact CG-CG1 4.12Å; L1311-R1336 PolarHBondContact N-O 2.94Å; L1311-F1337 HydrophobicContact CB-CB 4.38Å; L1311-F1337 HydrophobicContact CB-CD1 3.95Å; L1311-F1337 HydrophobicContact CB-CD2 3.77Å; L1311-F1337 HydrophobicContact CB-CE1 4.03Å; L1311-F1337 HydrophobicContact CB-CE2 3.86Å; L1311-F1337 HydrophobicContact CB-CG 3.79Å; L1311-F1337 HydrophobicContact CB-CZ 3.96Å; L1311-F1337 HydrophobicContact CD1-CD2 3.85Å; L1311-F1337 HydrophobicContact CD1-CE2 3.95Å; L1311-F1337 HydrophobicContact CG-CD2 4.46Å; L1311-F1337 CarbonylContact O-C 3.55Å; L1311-F1337 VanDerWaalsContact O-CA 3.28Å; L1311-F1337 WeakPolarHBondContact O-CA 3.43Å; L1311-F1337 VanDerWaalsContact O-CD1 3.3Å; L1311-F1337 WeakPolarHBondContact O-CD1 3.48Å; L1311-E1338 PolarHBondContact O-N 3.35Å |
| 1312 | R | 94.7 | Very high | 88.9 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 6% | 0.064 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149.2 | 176 | -59.2 | -177.5 | 77.6 | -160 | 2.6 | 111.6 | D1287 I1288 A1289 A1290 L1310 E1338 E1347 | D1287-R1312 PolarHBondContact O-N 2.92Å; I1288-R1312 CarbonylContact C-O 3.56Å; A1289-R1312 CarbonylContact C-O 3.55Å; A1289-R1312 WeakPolarHBondContact CA-O 3.27Å; A1289-R1312 PolarHBondContact N-O 2.92Å; A1290-R1312 PolarHBondContact N-O 2.67Å; L1310-R1312 HydrophobicContact CD1-CG 4.41Å; L1310-R1312 HydrophobicContact CG-CG 4.22Å; R1312-E1338 VanDerWaalsContact CA-O 3.27Å; R1312-E1338 WeakPolarHBondContact CA-O 3.12Å; R1312-E1347 IonicContact CZ-OE2 3.44Å; R1312-E1347 IonicContact NH2-OE2 2.68Å; R1312-E1347 PolarHBondContact NH2-OE2 2.95Å |
| 1313 | D | 91.6 | Very high | 89.3 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 6% | 0.064 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 148.6 | 169.4 | -160.8 | -80 | 0 | 0 | 0 | 108.9 | G1291 S1315 N1318 V1319 F1337 E1338 Q1339 G1340 | G1291-D1313 WeakPolarHBondContact CA-OD2 3.45Å; G1291-D1313 PolarHBondContact N-OD2 3.34Å; D1313-S1315 VanDerWaalsContact C-N 3.29Å; D1313-S1315 VanDerWaalsContact OD1-CB 3.27Å; D1313-S1315 WeakPolarHBondContact OD1-CB 3.49Å; D1313-S1315 PolarHBondContact OD1-N 3.14Å; D1313-N1318 HydrophobicContact CB-CB 4.08Å; D1313-N1318 VanDerWaalsContact CG-ND2 3.34Å; D1313-N1318 PolarHBondContact OD1-ND2 3.25Å; D1313-N1318 PolarHBondContact OD2-ND2 2.88Å; D1313-V1319 HydrophobicContact CB-CG2 4.16Å; D1313-F1337 HydrophobicContact CB-CE1 3.92Å; D1313-F1337 HydrophobicContact CB-CZ 4.29Å; D1313-E1338 PolarHBondContact N-O 3.41Å; D1313-Q1339 VanDerWaalsContact O-CA 3.3Å; D1313-Q1339 WeakPolarHBondContact O-CA 3.39Å; D1313-G1340 CarbonylContact C-O 3.59Å; D1313-G1340 PolarHBondContact O-N 3.39Å; D1313-G1340 VanDerWaalsContact O-N 3.08Å |
| 1314 | Y | 88.4 | Confident | 89.5 | Confident | 133 Ų | 133 | 52.2 Ų | 52.2 | 52% | 0.522 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -75.4 | -23.6 | 178.9 | 84.4 | -82.7 | 0 | 0 | 0 | 111.8 | Q1339 G1340 H1411 | Y1314-Q1339 PolarHBondContact O-NE2 2.86Å; Y1314-G1340 WeakPolarHBondContact CA-O 3.33Å; Y1314-G1340 PolarHBondContact N-O 3.36Å; Y1314-H1411 PolarHBondContact OH-CD2 2.98Å |
| 1315 | S | 86.4 | Confident | 89.9 | Confident | 29 Ų | 29 | 46.9 Ų | 46.9 | 20% | 0.203 | 25% | 0.246 | C | C | . | . | trans | -87.5 | 119.3 | -177.3 | -177 | 0 | 0 | 0 | 0 | 111.8 | D1313 L1317 N1318 V1319 | D1313-S1315 VanDerWaalsContact C-N 3.29Å; D1313-S1315 VanDerWaalsContact OD1-CB 3.27Å; D1313-S1315 WeakPolarHBondContact OD1-CB 3.49Å; D1313-S1315 PolarHBondContact OD1-N 3.14Å; S1315-L1317 PolarHBondContact O-N 3.34Å; S1315-N1318 PolarHBondContact O-N 3.37Å; S1315-N1318 VanDerWaalsContact O-N 3.11Å; S1315-V1319 WeakPolarHBondContact O-CG2 3.41Å; S1315-V1319 PolarHBondContact O-N 2.92Å; S1315-V1319 VanDerWaalsContact O-N 3.14Å | ||
| 1316 | E | 87.1 | Confident | 90.3 | Very high | 147 Ų | 147 | 45.3 Ų | 45.3 | 69% | 0.687 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -55.8 | -35.1 | 175.5 | -168.2 | 180 | -179.1 | 0 | 0 | 112.6 | V1319 A1320 | E1316-V1319 PolarHBondContact O-N 2.96Å; E1316-A1320 WeakPolarHBondContact O-CB 3.36Å; E1316-A1320 PolarHBondContact O-N 2.73Å |
| 1317 | L | 86 | Confident | 90.4 | Very high | 86 Ų | 86 | 47.6 Ų | 47.6 | 45% | 0.45 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 177 | -179.5 | 68 | 0 | 0 | 0 | 112.2 | S1315 A1320 Q1321 | S1315-L1317 PolarHBondContact O-N 3.34Å; L1317-A1320 PolarHBondContact O-N 3.02Å; L1317-Q1321 WeakPolarHBondContact O-CG 3.38Å; L1317-Q1321 PolarHBondContact O-N 3.12Å; L1317-Q1321 VanDerWaalsContact O-N 3.09Å |
| 1318 | N | 87 | Confident | 90.5 | Very high | 11 Ų | 11 | 51.7 Ų | 51.7 | 6% | 0.059 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 179.6 | -74.5 | -21.9 | 0 | 0 | 0 | 110.8 | G1291 H1292 D1313 S1315 Q1321 G1322 | G1291-N1318 WeakPolarHBondContact O-CB 3.18Å; H1292-N1318 PolarHBondContact CD2-OD1 2.89Å; H1292-N1318 PolarHBondContact NE2-OD1 3.15Å; D1313-N1318 HydrophobicContact CB-CB 4.08Å; D1313-N1318 VanDerWaalsContact CG-ND2 3.34Å; D1313-N1318 PolarHBondContact OD1-ND2 3.25Å; D1313-N1318 PolarHBondContact OD2-ND2 2.88Å; S1315-N1318 PolarHBondContact O-N 3.37Å; S1315-N1318 VanDerWaalsContact O-N 3.11Å; N1318-Q1321 PolarHBondContact O-N 3.12Å; N1318-G1322 PolarHBondContact O-N 3.24Å |
| 1319 | V | 91.1 | Very high | 90.4 | Very high | 12 Ų | 12 | 52.8 Ų | 52.8 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.1 | -49.6 | 175.8 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | D1313 S1315 E1316 Q1321 G1322 Q1323 F1337 Q1339 | D1313-V1319 HydrophobicContact CB-CG2 4.16Å; S1315-V1319 WeakPolarHBondContact O-CG2 3.41Å; S1315-V1319 PolarHBondContact O-N 2.92Å; S1315-V1319 VanDerWaalsContact O-N 3.14Å; E1316-V1319 PolarHBondContact O-N 2.96Å; V1319-Q1321 PolarHBondContact O-N 2.91Å; V1319-G1322 PolarHBondContact O-N 3.02Å; V1319-Q1323 HydrophobicContact CG1-CG 4.4Å; V1319-Q1323 VanDerWaalsContact O-CG 3.31Å; V1319-Q1323 WeakPolarHBondContact O-CG 3.31Å; V1319-Q1323 PolarHBondContact O-N 2.96Å; V1319-F1337 HydrophobicContact CB-CD1 4.15Å; V1319-F1337 HydrophobicContact CB-CE1 4.39Å; V1319-F1337 HydrophobicContact CG1-CD1 3.97Å; V1319-F1337 HydrophobicContact CG1-CG 4.4Å; V1319-F1337 HydrophobicContact CG2-CD1 3.89Å; V1319-F1337 HydrophobicContact CG2-CE1 3.86Å; V1319-Q1339 HydrophobicContact CG2-CB 4.44Å |
| 1320 | A | 90.2 | Very high | 90 | Very high | 51 Ų | 51 | 56 Ų | 56 | 42% | 0.421 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1316 L1317 Q1323 E1324 | E1316-A1320 WeakPolarHBondContact O-CB 3.36Å; E1316-A1320 PolarHBondContact O-N 2.73Å; L1317-A1320 PolarHBondContact O-N 3.02Å; A1320-Q1323 PolarHBondContact O-N 3.07Å; A1320-E1324 PolarHBondContact O-N 3.2Å; A1320-E1324 VanDerWaalsContact O-N 3.08Å |
| 1321 | Q | 88.5 | Confident | 89.7 | Confident | 72 Ų | 72 | 55.7 Ų | 55.7 | 34% | 0.336 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.9 | -34.2 | 177.8 | -67.7 | -174.2 | 13.5 | 0 | 0 | 112.4 | H1292 L1317 N1318 V1319 E1324 M1325 | H1292-Q1321 PolarHBondContact CE1-OE1 2.68Å; H1292-Q1321 PolarHBondContact NE2-OE1 2.89Å; L1317-Q1321 WeakPolarHBondContact O-CG 3.38Å; L1317-Q1321 PolarHBondContact O-N 3.12Å; L1317-Q1321 VanDerWaalsContact O-N 3.09Å; N1318-Q1321 PolarHBondContact O-N 3.12Å; V1319-Q1321 PolarHBondContact O-N 2.91Å; Q1321-E1324 PolarHBondContact O-N 2.68Å; Q1321-M1325 PolarHBondContact O-N 3.06Å |
| 1322 | G | 89.8 | Confident | 89.3 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1318 V1319 E1324 M1325 I1326 | N1318-G1322 PolarHBondContact O-N 3.24Å; V1319-G1322 PolarHBondContact O-N 3.02Å; G1322-E1324 VanDerWaalsContact C-N 3.34Å; G1322-E1324 PolarHBondContact O-N 2.82Å; G1322-M1325 PolarHBondContact O-N 3.3Å; G1322-I1326 WeakPolarHBondContact O-CD1 3.47Å; G1322-I1326 VanDerWaalsContact O-CG1 3.27Å; G1322-I1326 WeakPolarHBondContact O-CG1 3.43Å; G1322-I1326 PolarHBondContact O-N 3.14Å |
| 1323 | Q | 92.7 | Very high | 88.8 | Confident | 101 Ų | 101 | 62.9 Ų | 62.9 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 175 | -71.9 | 175.8 | -8.7 | 0 | 0 | 112 | V1319 A1320 M1325 I1326 A1327 F1337 | V1319-Q1323 HydrophobicContact CG1-CG 4.4Å; V1319-Q1323 VanDerWaalsContact O-CG 3.31Å; V1319-Q1323 WeakPolarHBondContact O-CG 3.31Å; V1319-Q1323 PolarHBondContact O-N 2.96Å; A1320-Q1323 PolarHBondContact O-N 3.07Å; Q1323-M1325 PolarHBondContact O-N 2.84Å; Q1323-I1326 PolarHBondContact O-N 2.99Å; Q1323-A1327 WeakPolarHBondContact O-CB 3.43Å; Q1323-A1327 PolarHBondContact O-N 3.3Å; Q1323-F1337 HydrophobicContact CG-CB 3.88Å; Q1323-F1337 PolarHBondContact NE2-O 2.79Å |
| 1324 | E | 90.1 | Very high | 88.6 | Confident | 119 Ų | 119 | 65.8 Ų | 65.8 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.6 | -43 | 174.3 | -168.5 | -179.7 | 179.1 | 0 | 0 | 111.5 | A1320 Q1321 G1322 I1326 A1327 Q1328 | A1320-E1324 PolarHBondContact O-N 3.2Å; A1320-E1324 VanDerWaalsContact O-N 3.08Å; Q1321-E1324 PolarHBondContact O-N 2.68Å; G1322-E1324 VanDerWaalsContact C-N 3.34Å; G1322-E1324 PolarHBondContact O-N 2.82Å; E1324-I1326 PolarHBondContact O-N 2.91Å; E1324-A1327 PolarHBondContact O-N 3.1Å; E1324-Q1328 WeakPolarHBondContact O-CB 3.38Å; E1324-Q1328 VanDerWaalsContact O-CG 3.29Å; E1324-Q1328 WeakPolarHBondContact O-CG 3.42Å; E1324-Q1328 PolarHBondContact O-N 3.08Å; E1324-Q1328 PolarHBondContact OE1-NE2 2.95Å |
| 1325 | M | 90 | Very high | 88.8 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 6% | 0.064 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 176.9 | -166.7 | -178.5 | -46.5 | 0 | 0 | 112.7 | H1292 R1294 L1297 Q1321 G1322 Q1323 R1329 | H1292-M1325 HydrophobicContact CB-CE 4.09Å; R1294-M1325 HydrophobicContact CB-CE 4.14Å; R1294-M1325 HydrophobicContact CB-SD 3.95Å; R1294-M1325 HydrophobicContact CG-SD 4.04Å; L1297-M1325 HydrophobicContact CD1-CB 4.38Å; L1297-M1325 HydrophobicContact CD1-CG 4.05Å; L1297-M1325 HydrophobicContact CD1-SD 3.83Å; Q1321-M1325 PolarHBondContact O-N 3.06Å; G1322-M1325 PolarHBondContact O-N 3.3Å; Q1323-M1325 PolarHBondContact O-N 2.84Å; M1325-R1329 VanDerWaalsContact O-CG 3.3Å; M1325-R1329 WeakPolarHBondContact O-CG 3.44Å; M1325-R1329 PolarHBondContact O-N 2.81Å |
| 1326 | I | 91.8 | Very high | 89.2 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63 | -45 | 175.1 | -69.7 | 161.3 | 0 | 0 | 0 | 110.4 | L1297 L1311 G1322 Q1323 E1324 R1329 G1330 M1331 V1335 F1337 | L1297-I1326 HydrophobicContact CD1-CG1 4.08Å; L1297-I1326 HydrophobicContact CD2-CG1 4.05Å; L1311-I1326 HydrophobicContact CD1-CD1 4.37Å; G1322-I1326 WeakPolarHBondContact O-CD1 3.47Å; G1322-I1326 VanDerWaalsContact O-CG1 3.27Å; G1322-I1326 WeakPolarHBondContact O-CG1 3.43Å; G1322-I1326 PolarHBondContact O-N 3.14Å; Q1323-I1326 PolarHBondContact O-N 2.99Å; E1324-I1326 PolarHBondContact O-N 2.91Å; I1326-R1329 PolarHBondContact O-N 2.81Å; I1326-G1330 PolarHBondContact O-N 2.83Å; I1326-M1331 HydrophobicContact CG2-CB 4.07Å; I1326-M1331 PolarHBondContact O-N 3.35Å; I1326-V1335 HydrophobicContact CD1-CB 4.11Å; I1326-V1335 HydrophobicContact CD1-CG1 3.51Å; I1326-V1335 HydrophobicContact CG1-CB 4.23Å; I1326-V1335 HydrophobicContact CG1-CG1 3.92Å; I1326-V1335 HydrophobicContact CG2-CB 4.02Å; I1326-F1337 HydrophobicContact CD1-CB 3.89Å; I1326-F1337 HydrophobicContact CD1-CD2 4.07Å |
| 1327 | A | 90 | Very high | 89.5 | Confident | 60 Ų | 60 | 56.5 Ų | 56.5 | 50% | 0.496 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q1323 E1324 R1329 G1330 | Q1323-A1327 WeakPolarHBondContact O-CB 3.43Å; Q1323-A1327 PolarHBondContact O-N 3.3Å; E1324-A1327 PolarHBondContact O-N 3.1Å; A1327-R1329 PolarHBondContact O-N 2.79Å; A1327-G1330 PolarHBondContact O-N 2.95Å; A1327-G1330 VanDerWaalsContact O-N 3.07Å |
| 1328 | Q | 88.9 | Confident | 89.9 | Confident | 144 Ų | 144 | 55.9 Ų | 55.9 | 67% | 0.673 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.8 | -25.8 | 176.4 | -72.6 | 174.2 | 7.9 | 0 | 0 | 113.3 | E1324 | E1324-Q1328 WeakPolarHBondContact O-CB 3.38Å; E1324-Q1328 VanDerWaalsContact O-CG 3.29Å; E1324-Q1328 WeakPolarHBondContact O-CG 3.42Å; E1324-Q1328 PolarHBondContact O-N 3.08Å; E1324-Q1328 PolarHBondContact OE1-NE2 2.95Å |
| 1329 | R | 89 | Confident | 90.2 | Very high | 82 Ų | 82 | 61.1 Ų | 61.1 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -0.7 | 177.8 | -67.6 | 176.6 | -173.4 | -133.8 | 3.7 | 114.1 | D1298 M1325 I1326 A1327 M1331 | D1298-R1329 IonicContact OD1-CZ 2.9Å; D1298-R1329 IonicContact OD1-NH1 2.71Å; D1298-R1329 PolarHBondContact OD1-NH1 3.4Å; D1298-R1329 IonicContact OD1-NH2 2.81Å; D1298-R1329 PolarHBondContact OD1-NH2 2.95Å; M1325-R1329 VanDerWaalsContact O-CG 3.3Å; M1325-R1329 WeakPolarHBondContact O-CG 3.44Å; M1325-R1329 PolarHBondContact O-N 2.81Å; I1326-R1329 PolarHBondContact O-N 2.81Å; A1327-R1329 PolarHBondContact O-N 2.79Å; R1329-M1331 VanDerWaalsContact C-N 3.28Å; R1329-M1331 HydrophobicContact CB-CG 3.98Å; R1329-M1331 HydrophobicContact CB-SD 4.15Å; R1329-M1331 PolarHBondContact O-N 2.94Å |
| 1330 | G | 86.8 | Confident | 90.2 | Very high | 71 Ų | 71 | 61 Ų | 61 | 73% | 0.732 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 29.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I1326 A1327 | I1326-G1330 PolarHBondContact O-N 2.83Å; A1327-G1330 PolarHBondContact O-N 2.95Å; A1327-G1330 VanDerWaalsContact O-N 3.07Å |
| 1331 | M | 88.3 | Confident | 90.2 | Very high | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.02 | 35% | 0.346 | C | S | . | . | trans | -101.6 | 3.7 | -174.4 | -70.2 | -175.1 | 67.4 | 0 | 0 | 114.2 | L1297 A1301 I1309 I1326 R1329 G1333 R1334 V1335 | L1297-M1331 HydrophobicContact CD2-CE 4.03Å; L1297-M1331 HydrophobicContact CD2-SD 4.13Å; A1301-M1331 HydrophobicContact CB-SD 4.37Å; I1309-M1331 HydrophobicContact CD1-CE 4.29Å; I1326-M1331 HydrophobicContact CG2-CB 4.07Å; I1326-M1331 PolarHBondContact O-N 3.35Å; R1329-M1331 VanDerWaalsContact C-N 3.28Å; R1329-M1331 HydrophobicContact CB-CG 3.98Å; R1329-M1331 HydrophobicContact CB-SD 4.15Å; R1329-M1331 PolarHBondContact O-N 2.94Å; M1331-G1333 PolarHBondContact O-N 3.16Å; M1331-R1334 WeakPolarHBondContact O-CG 3.29Å; M1331-R1334 PolarHBondContact O-N 3.48Å; M1331-R1334 VanDerWaalsContact O-N 3.08Å; M1331-R1334 PolarHBondContact SD-NH2 3.34Å; M1331-V1335 HydrophobicContact CB-CG2 3.84Å; M1331-V1335 HydrophobicContact CE-CG2 3.61Å; M1331-V1335 PolarHBondContact O-N 3.22Å | ||
| 1332 | S | 87.5 | Confident | 90.4 | Very high | 80 Ų | 80 | 58.9 Ų | 58.9 | 56% | 0.559 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -18.9 | -174.6 | -53 | 0 | 0 | 0 | 0 | 115 | ||
| 1333 | G | 84.2 | Confident | 90.6 | Very high | 88 Ų | 88 | 60.2 Ų | 60.2 | 91% | 0.907 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -13.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | M1331 | M1331-G1333 PolarHBondContact O-N 3.16Š|
| 1334 | R | 87.8 | Confident | 90.5 | Very high | 74 Ų | 74 | 57.6 Ų | 57.6 | 28% | 0.279 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.3 | -14.9 | -177 | 66 | 177.6 | 170.9 | 169.6 | -6.4 | 114.6 | L1300 A1301 I1309 M1331 | L1300-R1334 PolarHBondContact O-NH1 3.1Å; A1301-R1334 PolarHBondContact O-NH1 2.76Å; A1301-R1334 PolarHBondContact O-NH2 3.22Å; I1309-R1334 PolarHBondContact N-O 2.88Å; M1331-R1334 WeakPolarHBondContact O-CG 3.29Å; M1331-R1334 PolarHBondContact O-N 3.48Å; M1331-R1334 VanDerWaalsContact O-N 3.08Å; M1331-R1334 PolarHBondContact SD-NH2 3.34Å |
| 1335 | V | 92.7 | Very high | 90.4 | Very high | 8 Ų | 8 | 54.1 Ų | 54.1 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 125.3 | -179.3 | -168.4 | 0 | 0 | 0 | 0 | 110.4 | L1297 I1309 L1311 I1326 M1331 | L1297-V1335 HydrophobicContact CD2-CG1 4.17Å; L1297-V1335 HydrophobicContact CD2-CG2 4.13Å; I1309-V1335 HydrophobicContact CB-CB 4.39Å; I1309-V1335 HydrophobicContact CB-CG1 4.17Å; I1309-V1335 HydrophobicContact CB-CG2 4.06Å; I1309-V1335 HydrophobicContact CD1-CG2 4.02Å; I1309-V1335 HydrophobicContact CG2-CG1 4Å; I1309-V1335 HydrophobicContact CG2-CG2 4.46Å; I1309-V1335 CarbonylContact O-C 3.44Å; I1309-V1335 VanDerWaalsContact O-CA 3.29Å; I1309-V1335 WeakPolarHBondContact O-CA 3.45Å; L1311-V1335 HydrophobicContact CD1-CG1 3.94Å; L1311-V1335 HydrophobicContact CG-CG1 4.12Å; I1326-V1335 HydrophobicContact CD1-CB 4.11Å; I1326-V1335 HydrophobicContact CD1-CG1 3.51Å; I1326-V1335 HydrophobicContact CG1-CB 4.23Å; I1326-V1335 HydrophobicContact CG1-CG1 3.92Å; I1326-V1335 HydrophobicContact CG2-CB 4.02Å; M1331-V1335 HydrophobicContact CB-CG2 3.84Å; M1331-V1335 HydrophobicContact CE-CG2 3.61Å; M1331-V1335 PolarHBondContact O-N 3.22Å |
| 1336 | R | 93.5 | Very high | 90.4 | Very high | 97 Ų | 97 | 60.7 Ų | 60.7 | 37% | 0.366 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 143.5 | 168 | -69.3 | -175.1 | -71.8 | 147.1 | -8.2 | 110 | I1309 L1310 L1311 E1338 T1352 P1353 | I1309-R1336 PolarHBondContact O-N 3.45Å; L1310-R1336 HydrophobicContact CD1-CB 3.98Å; L1311-R1336 PolarHBondContact N-O 2.94Å; R1336-E1338 IonicContact CZ-OE1 2.71Å; R1336-E1338 IonicContact NH1-OE1 3.22Å; R1336-E1338 PolarHBondContact NH1-OE1 3.39Å; R1336-T1352 PolarHBondContact NH2-O 2.79Å; R1336-P1353 VanDerWaalsContact NH2-CD 3.26Å |
| 1337 | F | 94.1 | Very high | 90.3 | Very high | 9 Ų | 9 | 64 Ų | 64 | 4% | 0.039 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 113.5 | 172.2 | -151.6 | -35.6 | 0 | 0 | 0 | 108.9 | A1290 G1291 L1311 D1313 V1319 Q1323 I1326 | A1290-F1337 HydrophobicContact CB-CE2 4.47Å; A1290-F1337 HydrophobicContact CB-CZ 3.88Å; G1291-F1337 WeakPolarHBondContact O-CZ 3.39Å; L1311-F1337 HydrophobicContact CB-CB 4.38Å; L1311-F1337 HydrophobicContact CB-CD1 3.95Å; L1311-F1337 HydrophobicContact CB-CD2 3.77Å; L1311-F1337 HydrophobicContact CB-CE1 4.03Å; L1311-F1337 HydrophobicContact CB-CE2 3.86Å; L1311-F1337 HydrophobicContact CB-CG 3.79Å; L1311-F1337 HydrophobicContact CB-CZ 3.96Å; L1311-F1337 HydrophobicContact CD1-CD2 3.85Å; L1311-F1337 HydrophobicContact CD1-CE2 3.95Å; L1311-F1337 HydrophobicContact CG-CD2 4.46Å; L1311-F1337 CarbonylContact O-C 3.55Å; L1311-F1337 VanDerWaalsContact O-CA 3.28Å; L1311-F1337 WeakPolarHBondContact O-CA 3.43Å; L1311-F1337 VanDerWaalsContact O-CD1 3.3Å; L1311-F1337 WeakPolarHBondContact O-CD1 3.48Å; D1313-F1337 HydrophobicContact CB-CE1 3.92Å; D1313-F1337 HydrophobicContact CB-CZ 4.29Å; V1319-F1337 HydrophobicContact CB-CD1 4.15Å; V1319-F1337 HydrophobicContact CB-CE1 4.39Å; V1319-F1337 HydrophobicContact CG1-CD1 3.97Å; V1319-F1337 HydrophobicContact CG1-CG 4.4Å; V1319-F1337 HydrophobicContact CG2-CD1 3.89Å; V1319-F1337 HydrophobicContact CG2-CE1 3.86Å; Q1323-F1337 HydrophobicContact CG-CB 3.88Å; Q1323-F1337 PolarHBondContact NE2-O 2.79Å; I1326-F1337 HydrophobicContact CD1-CB 3.89Å; I1326-F1337 HydrophobicContact CD1-CD2 4.07Å |
| 1338 | E | 93.4 | Very high | 90.4 | Very high | 73 Ų | 73 | 61.1 Ų | 61.1 | 34% | 0.341 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 153.5 | -173.1 | -64 | 174.1 | -170.4 | 0 | 0 | 111.5 | L1310 L1311 R1312 D1313 R1336 | L1310-E1338 HydrophobicContact CD1-CB 4.37Å; L1310-E1338 HydrophobicContact CD1-CG 4.03Å; L1311-E1338 PolarHBondContact O-N 3.35Å; R1312-E1338 VanDerWaalsContact CA-O 3.27Å; R1312-E1338 WeakPolarHBondContact CA-O 3.12Å; D1313-E1338 PolarHBondContact N-O 3.41Å; R1336-E1338 IonicContact CZ-OE1 2.71Å; R1336-E1338 IonicContact NH1-OE1 3.22Å; R1336-E1338 PolarHBondContact NH1-OE1 3.39Å |
| 1339 | Q | 93.3 | Very high | 90.4 | Very high | 120 Ų | 120 | 56.7 Ų | 56.7 | 56% | 0.561 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 140.8 | 171 | -167.5 | 176.9 | 10.1 | 0 | 0 | 110 | D1313 Y1314 V1319 | D1313-Q1339 VanDerWaalsContact O-CA 3.3Å; D1313-Q1339 WeakPolarHBondContact O-CA 3.39Å; Y1314-Q1339 PolarHBondContact O-NE2 2.86Å; V1319-Q1339 HydrophobicContact CG2-CB 4.44Å |
| 1340 | G | 91.1 | Very high | 90.5 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 9% | 0.093 | 33% | 0.334 | C | S | . | . | trans | -170.3 | 151.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | D1313 Y1314 | D1313-G1340 CarbonylContact C-O 3.59Å; D1313-G1340 PolarHBondContact O-N 3.39Å; D1313-G1340 VanDerWaalsContact O-N 3.08Å; Y1314-G1340 WeakPolarHBondContact CA-O 3.33Å; Y1314-G1340 PolarHBondContact N-O 3.36Å | ||
| 1341 | D | 91.7 | Very high | 90.7 | Very high | 71 Ų | 71 | 53.1 Ų | 53.1 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | trans | -92.3 | 116.1 | 172.8 | -171.4 | -6.3 | 0 | 0 | 0 | 111.3 | F1343 N1344 E1347 | D1341-F1343 PolarHBondContact O-N 3.42Å; D1341-F1343 PolarHBondContact OD1-N 3.13Å; D1341-N1344 HydrophobicContact CB-CB 3.98Å; D1341-N1344 PolarHBondContact O-N 3.32Å; D1341-E1347 PolarHBondContact N-OE2 3.21Å; D1341-E1347 VanDerWaalsContact N-OE2 3.14Å | ||
| 1342 | A | 92.1 | Very high | 90.7 | Very high | 8 Ų | 8 | 57.6 Ų | 57.6 | 7% | 0.066 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -8.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1288 A1289 L1348 L1363 S1376 | I1288-A1342 HydrophobicContact CB-CB 4.29Å; I1288-A1342 HydrophobicContact CD1-CB 4.04Å; I1288-A1342 HydrophobicContact CG1-CB 4.18Å; I1288-A1342 WeakPolarHBondContact O-CB 3.42Å; A1289-A1342 HydrophobicContact CB-CB 4.49Å; A1342-L1348 WeakPolarHBondContact O-CD1 3.32Å; A1342-L1363 HydrophobicContact CB-CD1 4.4Å; A1342-L1363 HydrophobicContact CB-CD2 3.51Å; A1342-S1376 WeakPolarHBondContact O-CB 3.38Å; A1342-S1376 PolarHBondContact O-OG 2.88Å |
| 1343 | F | 93 | Very high | 90.8 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -3.8 | 178 | -61.1 | -66.2 | 0 | 0 | 0 | 113.6 | D1341 P1345 L1363 F1367 Q1372 | D1341-F1343 PolarHBondContact O-N 3.42Å; D1341-F1343 PolarHBondContact OD1-N 3.13Å; F1343-P1345 VanDerWaalsContact O-CD 3.24Å; F1343-P1345 WeakPolarHBondContact O-CD 3.48Å; F1343-L1363 HydrophobicContact CE1-CD2 4.31Å; F1343-L1363 HydrophobicContact CE1-CG 4.41Å; F1343-L1363 HydrophobicContact CE2-CD1 3.89Å; F1343-L1363 HydrophobicContact CE2-CG 4.41Å; F1343-L1363 HydrophobicContact CZ-CD1 3.73Å; F1343-L1363 HydrophobicContact CZ-CD2 4.04Å; F1343-L1363 HydrophobicContact CZ-CG 3.79Å; F1343-F1367 HydrophobicContact CD2-CZ 4.43Å; F1343-F1367 HydrophobicContact CE1-CD2 4.41Å; F1343-F1367 HydrophobicContact CE2-CD1 4.15Å; F1343-F1367 AromaticContact CE2-CD2 3.69Å; F1343-F1367 HydrophobicContact CE2-CD2 3.69Å; F1343-F1367 AromaticContact CE2-CE1 3.83Å; F1343-F1367 HydrophobicContact CE2-CE1 3.83Å; F1343-F1367 AromaticContact CE2-CE2 3.37Å; F1343-F1367 HydrophobicContact CE2-CE2 3.37Å; F1343-F1367 HydrophobicContact CE2-CG 4.06Å; F1343-F1367 AromaticContact CE2-CZ 3.43Å; F1343-F1367 HydrophobicContact CE2-CZ 3.43Å; F1343-F1367 VanDerWaalsContact CE2-CZ 3.43Å; F1343-F1367 HydrophobicContact CZ-CB 4.41Å; F1343-F1367 HydrophobicContact CZ-CD1 4.24Å; F1343-F1367 AromaticContact CZ-CD2 3.3Å; F1343-F1367 HydrophobicContact CZ-CD2 3.3Å; F1343-F1367 HydrophobicContact CZ-CE1 4.34Å; F1343-F1367 AromaticContact CZ-CE2 3.47Å; F1343-F1367 HydrophobicContact CZ-CE2 3.47Å; F1343-F1367 VanDerWaalsContact CZ-CE2 3.47Å; F1343-F1367 AromaticContact CZ-CG 3.72Å; F1343-F1367 HydrophobicContact CZ-CG 3.72Å; F1343-F1367 AromaticContact CZ-CZ 3.99Å; F1343-F1367 HydrophobicContact CZ-CZ 3.99Å; F1343-Q1372 HydrophobicContact CD1-CB 3.65Å; F1343-Q1372 VanDerWaalsContact CD1-O 3.25Å; F1343-Q1372 WeakPolarHBondContact CD1-O 3.43Å; F1343-Q1372 HydrophobicContact CE1-CB 3.87Å; F1343-Q1372 HydrophobicContact CG-CB 4.24Å |
| 1344 | N | 91.9 | Very high | 91.1 | Very high | 46 Ų | 46 | 58.9 Ų | 58.9 | 25% | 0.246 | 30% | 0.302 | C | S | . | . | trans | -86 | 105.9 | 175.2 | -175.3 | -14.7 | 0 | 0 | 0 | 109.9 | D1341 E1346 E1347 L1348 | D1341-N1344 HydrophobicContact CB-CB 3.98Å; D1341-N1344 PolarHBondContact O-N 3.32Å; N1344-E1346 VanDerWaalsContact C-N 3.28Å; N1344-E1346 PolarHBondContact O-N 3.42Å; N1344-E1346 PolarHBondContact OD1-N 3.21Å; N1344-E1346 VanDerWaalsContact OD1-N 3.15Å; N1344-E1347 HydrophobicContact CB-CB 4.1Å; N1344-E1347 HydrophobicContact CB-CG 4.3Å; N1344-E1347 PolarHBondContact ND2-OE1 2.98Å; N1344-E1347 VanDerWaalsContact ND2-OE1 3.12Å; N1344-E1347 PolarHBondContact O-N 3.04Å; N1344-E1347 PolarHBondContact OD1-N 3.4Å; N1344-L1348 WeakPolarHBondContact O-CG 3.44Å; N1344-L1348 PolarHBondContact O-N 2.68Å; N1344-L1348 VanDerWaalsContact O-N 3.16Å | ||
| 1345 | P | 88.5 | Confident | 91.4 | Very high | 47 Ų | 47 | 55.6 Ų | 55.6 | 31% | 0.305 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.6 | -30.6 | -175.7 | 26.9 | -34.2 | 0 | 0 | 0 | 112.7 | F1343 L1348 S1349 | F1343-P1345 VanDerWaalsContact O-CD 3.24Å; F1343-P1345 WeakPolarHBondContact O-CD 3.48Å; P1345-L1348 PolarHBondContact O-N 3.13Å; P1345-S1349 VanDerWaalsContact O-CB 3.31Å; P1345-S1349 WeakPolarHBondContact O-CB 3.39Å; P1345-S1349 PolarHBondContact O-N 3.28Å; P1345-S1349 PolarHBondContact O-OG 3.46Å |
| 1346 | E | 88.2 | Confident | 91.5 | Very high | 150 Ų | 150 | 55.2 Ų | 55.2 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.4 | -48.9 | 179.4 | -64.5 | -178.1 | 177.3 | 0 | 0 | 110.6 | N1344 L1348 S1349 A1350 | N1344-E1346 VanDerWaalsContact C-N 3.28Å; N1344-E1346 PolarHBondContact O-N 3.42Å; N1344-E1346 PolarHBondContact OD1-N 3.21Å; N1344-E1346 VanDerWaalsContact OD1-N 3.15Å; E1346-L1348 VanDerWaalsContact C-N 3.31Å; E1346-L1348 PolarHBondContact O-N 3.13Å; E1346-S1349 PolarHBondContact O-N 3.09Å; E1346-S1349 PolarHBondContact O-OG 3.49Å; E1346-A1350 WeakPolarHBondContact O-CB 3.32Å; E1346-A1350 PolarHBondContact O-N 2.82Å; E1346-A1350 VanDerWaalsContact O-N 3.13Å |
| 1347 | E | 91.4 | Very high | 91.6 | Very high | 74 Ų | 74 | 50.6 Ų | 50.6 | 35% | 0.346 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 175.1 | -82.4 | -176.8 | -139.5 | 0 | 0 | 112.7 | R1312 D1341 N1344 A1350 | R1312-E1347 IonicContact CZ-OE2 3.44Å; R1312-E1347 IonicContact NH2-OE2 2.68Å; R1312-E1347 PolarHBondContact NH2-OE2 2.95Å; D1341-E1347 PolarHBondContact N-OE2 3.21Å; D1341-E1347 VanDerWaalsContact N-OE2 3.14Å; N1344-E1347 HydrophobicContact CB-CB 4.1Å; N1344-E1347 HydrophobicContact CB-CG 4.3Å; N1344-E1347 PolarHBondContact ND2-OE1 2.98Å; N1344-E1347 VanDerWaalsContact ND2-OE1 3.12Å; N1344-E1347 PolarHBondContact O-N 3.04Å; N1344-E1347 PolarHBondContact OD1-N 3.4Å; E1347-A1350 PolarHBondContact O-N 3.16Å |
| 1348 | L | 92.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.1 | -44.3 | 177.3 | -70.7 | 179 | 0 | 0 | 0 | 111.7 | I1288 A1342 N1344 P1345 E1346 A1350 L1351 S1376 L1380 A1383 | I1288-L1348 HydrophobicContact CB-CD2 4.13Å; I1288-L1348 HydrophobicContact CG2-CD2 3.57Å; A1342-L1348 WeakPolarHBondContact O-CD1 3.32Å; N1344-L1348 WeakPolarHBondContact O-CG 3.44Å; N1344-L1348 PolarHBondContact O-N 2.68Å; N1344-L1348 VanDerWaalsContact O-N 3.16Å; P1345-L1348 PolarHBondContact O-N 3.13Å; E1346-L1348 VanDerWaalsContact C-N 3.31Å; E1346-L1348 PolarHBondContact O-N 3.13Å; L1348-A1350 PolarHBondContact O-N 2.51Å; L1348-A1350 VanDerWaalsContact O-N 3.16Å; L1348-L1351 HydrophobicContact CD2-CD1 4.08Å; L1348-L1351 WeakPolarHBondContact O-CB 3.34Å; L1348-L1351 VanDerWaalsContact O-CD1 3.29Å; L1348-L1351 WeakPolarHBondContact O-CD1 3.34Å; L1348-L1351 WeakPolarHBondContact O-CG 3.3Å; L1348-L1351 PolarHBondContact O-N 3.46Å; L1348-S1376 WeakPolarHBondContact CD1-O 3.17Å; L1348-L1380 HydrophobicContact CD1-CG 4.44Å; L1348-A1383 WeakPolarHBondContact O-CB 3.47Å |
| 1349 | S | 88.5 | Confident | 91.9 | Very high | 51 Ų | 51 | 46.7 Ų | 46.7 | 36% | 0.357 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.6 | -22.6 | 178 | 72.1 | 0 | 0 | 0 | 0 | 113.5 | P1345 E1346 | P1345-S1349 VanDerWaalsContact O-CB 3.31Å; P1345-S1349 WeakPolarHBondContact O-CB 3.39Å; P1345-S1349 PolarHBondContact O-N 3.28Å; P1345-S1349 PolarHBondContact O-OG 3.46Å; E1346-S1349 PolarHBondContact O-N 3.09Å; E1346-S1349 PolarHBondContact O-OG 3.49Å |
| 1350 | A | 90.7 | Very high | 92 | Very high | 66 Ų | 66 | 41 Ų | 41 | 55% | 0.545 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 6.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1346 E1347 L1348 T1352 | E1346-A1350 WeakPolarHBondContact O-CB 3.32Å; E1346-A1350 PolarHBondContact O-N 2.82Å; E1346-A1350 VanDerWaalsContact O-N 3.13Å; E1347-A1350 PolarHBondContact O-N 3.16Å; L1348-A1350 PolarHBondContact O-N 2.51Å; L1348-A1350 VanDerWaalsContact O-N 3.16Å; A1350-T1352 PolarHBondContact O-N 3.13Å |
| 1351 | L | 91.7 | Very high | 92 | Very high | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | trans | -60.1 | 131.5 | -179.8 | -70.8 | 168.8 | 0 | 0 | 0 | 112.1 | V1286 L1310 L1348 A1383 | V1286-L1351 HydrophobicContact CG2-CD1 4.1Å; L1310-L1351 HydrophobicContact CD2-CD2 3.67Å; L1348-L1351 HydrophobicContact CD2-CD1 4.08Å; L1348-L1351 WeakPolarHBondContact O-CB 3.34Å; L1348-L1351 VanDerWaalsContact O-CD1 3.29Å; L1348-L1351 WeakPolarHBondContact O-CD1 3.34Å; L1348-L1351 WeakPolarHBondContact O-CG 3.3Å; L1348-L1351 PolarHBondContact O-N 3.46Å; L1351-A1383 HydrophobicContact CB-CB 4.5Å; L1351-A1383 HydrophobicContact CD1-CB 4.18Å | ||
| 1352 | T | 86.9 | Confident | 91.7 | Very high | 99 Ų | 99 | 38.1 Ų | 38.1 | 61% | 0.607 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -131.8 | 135.4 | 179.7 | 53.7 | 0 | 0 | 0 | 0 | 111.7 | R1336 A1350 | R1336-T1352 PolarHBondContact NH2-O 2.79Å; A1350-T1352 PolarHBondContact O-N 3.13Å |
| 1353 | P | 89.7 | Confident | 91.5 | Very high | 49 Ų | 49 | 38.5 Ų | 38.5 | 32% | 0.318 | 21% | 0.212 | S | C | . | . | S | Bend | cis | -63.8 | 160.4 | -11.2 | 32.2 | -36 | 0 | 0 | 0 | 110.9 | R1284 D1308 R1336 P1355 | R1284-P1353 HydrophobicContact CG-CG 4.35Å; D1308-P1353 HydrophobicContact CB-CG 4.17Å; R1336-P1353 VanDerWaalsContact NH2-CD 3.26Å; P1353-P1355 WeakPolarHBondContact O-CD 3.5Å |
| 1354 | R | 91.5 | Very high | 91.4 | Very high | 146 Ų | 146 | 37.4 Ų | 37.4 | 55% | 0.551 | 21% | 0.207 | S | C | * | . | P | Polyproline II helix | trans | -60.1 | 125.2 | 177.8 | -73.6 | -173 | 173.6 | -179.2 | -4.3 | 110.1 | R1284 E1385 | R1284-R1354 WeakPolarHBondContact CD-O 3.43Å; R1284-R1354 VanDerWaalsContact CZ-O 3.24Å; R1284-R1354 PolarHBondContact NE-O 3.47Å; R1284-R1354 VanDerWaalsContact NE-O 3.17Å; R1354-E1385 HydrophobicContact CB-CG 3.8Å |
| 1355 | P | 94.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 150.3 | -179.5 | 27.7 | -35.3 | 0 | 0 | 0 | 111.8 | R1284 V1286 P1353 A1383 I1384 E1385 | R1284-P1355 WeakPolarHBondContact O-CA 3.29Å; V1286-P1355 HydrophobicContact CB-CB 4.01Å; V1286-P1355 HydrophobicContact CB-CG 4.37Å; V1286-P1355 HydrophobicContact CG1-CB 3.57Å; V1286-P1355 HydrophobicContact CG1-CG 3.69Å; P1353-P1355 WeakPolarHBondContact O-CD 3.5Å; P1355-A1383 WeakPolarHBondContact CD-O 3.15Å; P1355-A1383 HydrophobicContact CG-CB 4.4Å; P1355-I1384 HydrophobicContact CG-CG1 4.03Å; P1355-I1384 VanDerWaalsContact O-CA 3.29Å; P1355-I1384 WeakPolarHBondContact O-CA 3.2Å; P1355-E1385 PolarHBondContact O-N 3.13Å |
| 1356 | T | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -108.4 | -17.3 | 166.3 | 51.2 | 0 | 0 | 0 | 0 | 111.7 | L1276 L1281 A1282 V1283 R1284 E1385 G1388 I1389 | L1276-T1356 WeakPolarHBondContact CD1-O 3.41Å; L1281-T1356 HydrophobicContact CB-CG2 4.41Å; A1282-T1356 WeakPolarHBondContact O-CB 3.29Å; A1282-T1356 WeakPolarHBondContact O-CG2 3.37Å; A1282-T1356 PolarHBondContact O-OG1 3.46Å; V1283-T1356 WeakPolarHBondContact CA-OG1 3.37Å; R1284-T1356 PolarHBondContact N-OG1 3.28Å; R1284-T1356 PolarHBondContact O-N 2.77Å; T1356-E1385 HydrophobicContact CG2-CB 4.24Å; T1356-E1385 HydrophobicContact CG2-CG 4.45Å; T1356-G1388 CarbonylContact O-C 3.42Å; T1356-G1388 WeakPolarHBondContact O-CA 3.47Å; T1356-I1389 PolarHBondContact O-N 3.3Å |
| 1357 | L | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 117.3 | 171 | 176.9 | 55.6 | 0 | 0 | 0 | 109.6 | A1272 V1273 L1276 R1284 V1285 V1286 I1359 I1389 I1391 | A1272-L1357 HydrophobicContact CB-CD1 3.76Å; A1272-L1357 HydrophobicContact CB-CD2 4.08Å; V1273-L1357 HydrophobicContact CG2-CD2 4.35Å; L1276-L1357 HydrophobicContact CD1-CB 3.79Å; R1284-L1357 PolarHBondContact O-N 2.89Å; V1285-L1357 CarbonylContact C-O 3.45Å; V1285-L1357 VanDerWaalsContact CA-O 3.29Å; V1285-L1357 WeakPolarHBondContact CA-O 3.49Å; V1285-L1357 HydrophobicContact CG1-CD2 4.3Å; V1285-L1357 HydrophobicContact CG1-CG 4.31Å; V1285-L1357 HydrophobicContact CG2-CB 4.23Å; V1285-L1357 HydrophobicContact CG2-CD2 4Å; V1285-L1357 HydrophobicContact CG2-CG 4.43Å; V1286-L1357 PolarHBondContact N-O 3.39Å; L1357-I1359 HydrophobicContact CG-CG1 4.42Å; L1357-I1389 CarbonylContact C-O 3.59Å; L1357-I1389 WeakPolarHBondContact CA-O 3.35Å; L1357-I1389 HydrophobicContact CD1-CB 4.06Å; L1357-I1389 HydrophobicContact CD1-CG2 4.11Å; L1357-I1391 HydrophobicContact CD1-CD1 3.92Å; L1357-I1391 HydrophobicContact CD1-CG1 4.01Å |
| 1358 | A | 96.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 142.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1286 L1380 I1384 I1389 L1390 I1391 | V1286-A1358 HydrophobicContact CG1-CB 3.72Å; V1286-A1358 CarbonylContact O-C 3.37Å; V1286-A1358 WeakPolarHBondContact O-CA 3.38Å; A1358-L1380 HydrophobicContact CB-CD2 3.83Å; A1358-I1384 HydrophobicContact CB-CD1 3.3Å; A1358-I1384 HydrophobicContact CB-CG1 3.89Å; A1358-I1389 PolarHBondContact N-O 3.48Å; A1358-L1390 HydrophobicContact CB-CD1 3.96Å; A1358-L1390 CarbonylContact O-C 3.56Å; A1358-L1390 WeakPolarHBondContact O-CA 3.43Å; A1358-I1391 PolarHBondContact O-N 3.34Å |
| 1359 | I | 96.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.3 | 180 | -56 | 169.6 | 0 | 0 | 0 | 108.7 | L1265 I1269 V1285 V1286 D1287 I1288 Y1295 V1296 L1357 I1391 | L1265-I1359 HydrophobicContact CD2-CG2 4.4Å; I1269-I1359 HydrophobicContact CD1-CD1 3.75Å; I1269-I1359 HydrophobicContact CG1-CD1 3.82Å; I1269-I1359 HydrophobicContact CG1-CG1 4.5Å; V1285-I1359 HydrophobicContact CG1-CD1 3.64Å; V1285-I1359 HydrophobicContact CG1-CG1 4.32Å; V1286-I1359 PolarHBondContact O-N 3.43Å; D1287-I1359 WeakPolarHBondContact CA-O 3.36Å; D1287-I1359 HydrophobicContact CB-CB 4.2Å; D1287-I1359 WeakPolarHBondContact OD2-CG2 3.4Å; I1288-I1359 PolarHBondContact N-O 3.48Å; Y1295-I1359 HydrophobicContact CE2-CG2 4.25Å; V1296-I1359 HydrophobicContact CG1-CD1 4.44Å; V1296-I1359 HydrophobicContact CG2-CD1 4.09Å; L1357-I1359 HydrophobicContact CG-CG1 4.42Å; I1359-I1391 CarbonylContact C-O 3.39Å; I1359-I1391 WeakPolarHBondContact CA-O 3.44Å; I1359-I1391 HydrophobicContact CG1-CB 4.44Å |
| 1360 | V | 94.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 96.5 | 172.9 | -170.5 | 0 | 0 | 0 | 0 | 108.8 | I1288 L1363 Y1364 L1380 L1390 I1391 Y1392 T1393 | I1288-V1360 HydrophobicContact CD1-CG1 4.39Å; I1288-V1360 HydrophobicContact CD1-CG2 3.79Å; I1288-V1360 HydrophobicContact CG1-CG1 4.49Å; I1288-V1360 HydrophobicContact CG1-CG2 3.97Å; V1360-L1363 HydrophobicContact CG1-CB 3.78Å; V1360-L1363 HydrophobicContact CG1-CD2 4.01Å; V1360-L1363 HydrophobicContact CG1-CG 4.49Å; V1360-Y1364 HydrophobicContact CB-CE2 4.12Å; V1360-Y1364 HydrophobicContact CG1-CD1 4.19Å; V1360-Y1364 HydrophobicContact CG1-CD2 3.99Å; V1360-Y1364 HydrophobicContact CG1-CE1 3.88Å; V1360-Y1364 HydrophobicContact CG1-CE2 3.67Å; V1360-Y1364 HydrophobicContact CG1-CG 4.25Å; V1360-Y1364 HydrophobicContact CG2-CE2 4.34Å; V1360-L1380 HydrophobicContact CG2-CD1 3.55Å; V1360-L1390 HydrophobicContact CG2-CD1 3.98Å; V1360-I1391 PolarHBondContact N-O 3.01Å; V1360-Y1392 CarbonylContact O-C 3.54Å; V1360-Y1392 VanDerWaalsContact O-CA 3.31Å; V1360-Y1392 WeakPolarHBondContact O-CA 3.23Å; V1360-T1393 PolarHBondContact O-N 3.42Å |
| 1361 | S | 91.3 | Very high | 90.8 | Very high | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.063 | 17% | 0.167 | C | C | . | . | trans | -114.3 | 117.3 | -176.8 | 157.6 | 0 | 0 | 0 | 0 | 111.7 | L1265 Y1295 L1363 | L1265-S1361 VanDerWaalsContact CD1-OG 3.29Å; L1265-S1361 WeakPolarHBondContact CD1-OG 3.37Å; Y1295-S1361 WeakPolarHBondContact OH-CB 3.45Å; S1361-L1363 PolarHBondContact O-N 3.16Å | ||
| 1362 | G | 85 | Confident | 90.8 | Very high | 11 Ų | 11 | 35 Ų | 35 | 11% | 0.113 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 79 | -3.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | E1365 L1366 T1393 | G1362-E1365 WeakPolarHBondContact CA-OE2 3.14Å; G1362-L1366 WeakPolarHBondContact O-CD1 3.37Å; G1362-L1366 WeakPolarHBondContact O-CG 3.28Å; G1362-T1393 PolarHBondContact N-OG1 2.86Å |
| 1363 | L | 89.6 | Confident | 91.1 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 8% | 0.084 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -76 | -58.8 | -176.6 | -179.4 | 67.7 | 0 | 0 | 0 | 112.4 | I1288 A1289 A1342 F1343 V1360 S1361 E1365 L1366 F1367 | I1288-L1363 HydrophobicContact CD1-CD2 4.04Å; I1288-L1363 HydrophobicContact CG1-CD2 4.32Å; A1289-L1363 HydrophobicContact CB-CB 3.9Å; A1289-L1363 HydrophobicContact CB-CD1 3.78Å; A1289-L1363 HydrophobicContact CB-CD2 3.91Å; A1289-L1363 HydrophobicContact CB-CG 4.06Å; A1342-L1363 HydrophobicContact CB-CD1 4.4Å; A1342-L1363 HydrophobicContact CB-CD2 3.51Å; F1343-L1363 HydrophobicContact CE1-CD2 4.31Å; F1343-L1363 HydrophobicContact CE1-CG 4.41Å; F1343-L1363 HydrophobicContact CE2-CD1 3.89Å; F1343-L1363 HydrophobicContact CE2-CG 4.41Å; F1343-L1363 HydrophobicContact CZ-CD1 3.73Å; F1343-L1363 HydrophobicContact CZ-CD2 4.04Å; F1343-L1363 HydrophobicContact CZ-CG 3.79Å; V1360-L1363 HydrophobicContact CG1-CB 3.78Å; V1360-L1363 HydrophobicContact CG1-CD2 4.01Å; V1360-L1363 HydrophobicContact CG1-CG 4.49Å; S1361-L1363 PolarHBondContact O-N 3.16Å; L1363-E1365 PolarHBondContact O-N 3.45Å; L1363-E1365 VanDerWaalsContact O-N 3.08Å; L1363-L1366 WeakPolarHBondContact O-CB 3.38Å; L1363-L1366 PolarHBondContact O-N 2.84Å; L1363-F1367 HydrophobicContact CD1-CD2 4.41Å; L1363-F1367 HydrophobicContact CD1-CE2 3.86Å; L1363-F1367 WeakPolarHBondContact O-CD2 3.38Å |
| 1364 | Y | 90.7 | Very high | 91.2 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -62.1 | -23.7 | -173 | -60.7 | -28.1 | 0 | 0 | 0 | 113.1 | V1360 L1366 V1373 S1376 L1377 R1422 M1427 | V1360-Y1364 HydrophobicContact CB-CE2 4.12Å; V1360-Y1364 HydrophobicContact CG1-CD1 4.19Å; V1360-Y1364 HydrophobicContact CG1-CD2 3.99Å; V1360-Y1364 HydrophobicContact CG1-CE1 3.88Å; V1360-Y1364 HydrophobicContact CG1-CE2 3.67Å; V1360-Y1364 HydrophobicContact CG1-CG 4.25Å; V1360-Y1364 HydrophobicContact CG2-CE2 4.34Å; Y1364-L1366 VanDerWaalsContact C-N 3.28Å; Y1364-L1366 PolarHBondContact O-N 3.33Å; Y1364-V1373 HydrophobicContact CD1-CB 4.27Å; Y1364-V1373 HydrophobicContact CD1-CG1 3.85Å; Y1364-V1373 HydrophobicContact CD1-CG2 3.9Å; Y1364-V1373 HydrophobicContact CD2-CG1 4.02Å; Y1364-V1373 HydrophobicContact CE1-CG1 4.05Å; Y1364-V1373 HydrophobicContact CE2-CG1 4.18Å; Y1364-V1373 HydrophobicContact CG-CG1 3.84Å; Y1364-V1373 HydrophobicContact CG-CG2 4.16Å; Y1364-S1376 WeakPolarHBondContact CE1-OG 3.28Å; Y1364-S1376 PolarHBondContact OH-OG 3.46Å; Y1364-S1376 VanDerWaalsContact OH-OG 3.09Å; Y1364-L1377 HydrophobicContact CE2-CD2 3.9Å; Y1364-L1377 HydrophobicContact CE2-CG 4.17Å; Y1364-L1377 WeakPolarHBondContact OH-CD2 3.32Å; Y1364-R1422 PolarHBondContact O-NH1 3.16Å; Y1364-M1427 HydrophobicContact CD2-CE 3.58Å; Y1364-M1427 HydrophobicContact CD2-SD 4.13Å; Y1364-M1427 HydrophobicContact CE2-CE 3.93Å |
| 1365 | E | 86 | Confident | 91.2 | Very high | 16 Ų | 16 | 27.5 Ų | 27.5 | 8% | 0.075 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -69 | -23.9 | 177.6 | -58 | 154.9 | -163 | 0 | 0 | 112.9 | R1261 G1362 L1363 T1393 G1394 Q1395 | R1261-E1365 IonicContact NH1-OE1 3.34Å; R1261-E1365 IonicContact NH1-OE2 3.01Å; R1261-E1365 PolarHBondContact NH1-OE2 2.7Å; G1362-E1365 WeakPolarHBondContact CA-OE2 3.14Å; L1363-E1365 PolarHBondContact O-N 3.45Å; L1363-E1365 VanDerWaalsContact O-N 3.08Å; E1365-T1393 WeakPolarHBondContact OE1-CB 3.39Å; E1365-T1393 PolarHBondContact OE1-OG1 3.44Å; E1365-G1394 PolarHBondContact OE1-N 3.26Å; E1365-Q1395 HydrophobicContact CB-CB 4.32Å; E1365-Q1395 HydrophobicContact CG-CB 3.79Å |
| 1366 | L | 83 | Confident | 91.2 | Very high | 48 Ų | 48 | 27.3 Ų | 27.3 | 25% | 0.251 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -87.2 | -18 | -175.1 | -64.1 | 173.3 | 0 | 0 | 0 | 114 | D1222 G1362 L1363 Y1364 | D1222-L1366 HydrophobicContact CB-CD2 3.81Å; G1362-L1366 WeakPolarHBondContact O-CD1 3.37Å; G1362-L1366 WeakPolarHBondContact O-CG 3.28Å; L1363-L1366 WeakPolarHBondContact O-CB 3.38Å; L1363-L1366 PolarHBondContact O-N 2.84Å; Y1364-L1366 VanDerWaalsContact C-N 3.28Å; Y1364-L1366 PolarHBondContact O-N 3.33Å |
| 1367 | F | 87.9 | Confident | 91.2 | Very high | 32 Ų | 32 | 27.3 Ų | 27.3 | 14% | 0.14 | 14% | 0.136 | C | C | . | . | trans | -114.8 | 123.9 | -173.5 | -66.1 | -90.8 | 0 | 0 | 0 | 109.5 | F1343 L1363 K1412 R1422 | F1343-F1367 HydrophobicContact CD2-CZ 4.43Å; F1343-F1367 HydrophobicContact CE1-CD2 4.41Å; F1343-F1367 HydrophobicContact CE2-CD1 4.15Å; F1343-F1367 AromaticContact CE2-CD2 3.69Å; F1343-F1367 HydrophobicContact CE2-CD2 3.69Å; F1343-F1367 AromaticContact CE2-CE1 3.83Å; F1343-F1367 HydrophobicContact CE2-CE1 3.83Å; F1343-F1367 AromaticContact CE2-CE2 3.37Å; F1343-F1367 HydrophobicContact CE2-CE2 3.37Å; F1343-F1367 HydrophobicContact CE2-CG 4.06Å; F1343-F1367 AromaticContact CE2-CZ 3.43Å; F1343-F1367 HydrophobicContact CE2-CZ 3.43Å; F1343-F1367 VanDerWaalsContact CE2-CZ 3.43Å; F1343-F1367 HydrophobicContact CZ-CB 4.41Å; F1343-F1367 HydrophobicContact CZ-CD1 4.24Å; F1343-F1367 AromaticContact CZ-CD2 3.3Å; F1343-F1367 HydrophobicContact CZ-CD2 3.3Å; F1343-F1367 HydrophobicContact CZ-CE1 4.34Å; F1343-F1367 AromaticContact CZ-CE2 3.47Å; F1343-F1367 HydrophobicContact CZ-CE2 3.47Å; F1343-F1367 VanDerWaalsContact CZ-CE2 3.47Å; F1343-F1367 AromaticContact CZ-CG 3.72Å; F1343-F1367 HydrophobicContact CZ-CG 3.72Å; F1343-F1367 AromaticContact CZ-CZ 3.99Å; F1343-F1367 HydrophobicContact CZ-CZ 3.99Å; L1363-F1367 HydrophobicContact CD1-CD2 4.41Å; L1363-F1367 HydrophobicContact CD1-CE2 3.86Å; L1363-F1367 WeakPolarHBondContact O-CD2 3.38Å; F1367-K1412 VanDerWaalsContact CE1-NZ 3.31Å; F1367-R1422 PolarHBondContact O-NH1 3.05Å; F1367-R1422 PolarHBondContact O-NH2 3.49Å | ||
| 1368 | P | 88.1 | Confident | 90.9 | Very high | 24 Ų | 24 | 29.3 Ų | 29.3 | 16% | 0.156 | 15% | 0.152 | C | C | . | . | trans | -76.7 | -27.3 | -174.7 | 29.3 | -34.3 | 0 | 0 | 0 | 113.4 | W1179 R1420 R1422 | W1179-P1368 HydrophobicContact CD2-CB 4.44Å; W1179-P1368 HydrophobicContact CZ2-CB 4.37Å; W1179-P1368 HydrophobicContact CZ2-CG 3.99Å; P1368-R1420 HydrophobicContact CB-CB 3.95Å; P1368-R1420 PolarHBondContact O-NE 3.28Å; P1368-R1420 PolarHBondContact O-NH2 2.95Å; P1368-R1422 VanDerWaalsContact C-NH2 3.25Å; P1368-R1422 PolarHBondContact O-NH2 3.36Å; P1368-R1422 VanDerWaalsContact O-NH2 3.09Å | ||
| 1369 | E | 90.3 | Very high | 90.6 | Very high | 94 Ų | 94 | 29.3 Ų | 29.3 | 44% | 0.439 | 15% | 0.152 | S | C | . | . | trans | -81.5 | 142.7 | -174 | -68 | 138 | -159.6 | 0 | 0 | 112.5 | R1422 | E1369-R1422 VanDerWaalsContact C-NH2 3.33Å; E1369-R1422 PolarHBondContact O-NH2 2.88Å | ||
| 1370 | N | 92 | Very high | 90.5 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -78.9 | -26.1 | 178.1 | -76.9 | -15.8 | 0 | 0 | 0 | 112.7 | D1170 Q1372 V1373 K1374 R1420 R1422 E1426 L1430 | D1170-N1370 HydrophobicContact CB-CB 4.28Å; D1170-N1370 PolarHBondContact OD1-ND2 3.49Å; D1170-N1370 PolarHBondContact OD2-N 2.81Å; N1370-Q1372 PolarHBondContact O-N 2.95Å; N1370-V1373 PolarHBondContact O-N 2.85Å; N1370-K1374 WeakPolarHBondContact O-CG 3.36Å; N1370-K1374 PolarHBondContact O-N 2.89Å; N1370-R1420 PolarHBondContact OD1-NH2 3Å; N1370-R1422 PolarHBondContact OD1-NE 2.97Å; N1370-E1426 PolarHBondContact ND2-OE1 2.69Å; N1370-E1426 PolarHBondContact OD1-OE1 2.97Å; N1370-E1426 VanDerWaalsContact OD1-OE1 3.08Å; N1370-L1430 HydrophobicContact CB-CD2 4.25Å |
| 1371 | E | 91.1 | Very high | 90.3 | Very high | 128 Ų | 128 | 30.2 Ų | 30.2 | 60% | 0.598 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -57.8 | -47.5 | -180 | -163.1 | -152.7 | 175.6 | 0 | 0 | 112.2 | V1373 K1374 N1375 | E1371-V1373 VanDerWaalsContact C-N 3.34Å; E1371-V1373 PolarHBondContact O-N 3.38Å; E1371-K1374 WeakPolarHBondContact O-CB 3.28Å; E1371-K1374 PolarHBondContact O-N 3.23Å; E1371-N1375 PolarHBondContact O-N 3.19Å |
| 1372 | Q | 91.1 | Very high | 90.1 | Very high | 53 Ų | 53 | 35 Ų | 35 | 25% | 0.248 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -45.1 | 177.6 | -69.1 | -177.6 | -24.2 | 0 | 0 | 111.5 | F1343 N1370 K1374 N1375 S1376 | F1343-Q1372 HydrophobicContact CD1-CB 3.65Å; F1343-Q1372 VanDerWaalsContact CD1-O 3.25Å; F1343-Q1372 WeakPolarHBondContact CD1-O 3.43Å; F1343-Q1372 HydrophobicContact CE1-CB 3.87Å; F1343-Q1372 HydrophobicContact CG-CB 4.24Å; N1370-Q1372 PolarHBondContact O-N 2.95Å; Q1372-K1374 VanDerWaalsContact C-N 3.33Å; Q1372-K1374 PolarHBondContact O-N 3.47Å; Q1372-N1375 PolarHBondContact O-N 3.06Å; Q1372-S1376 PolarHBondContact O-N 3.33Å |
| 1373 | V | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | Y1364 N1370 E1371 S1376 L1377 M1427 L1430 | Y1364-V1373 HydrophobicContact CD1-CB 4.27Å; Y1364-V1373 HydrophobicContact CD1-CG1 3.85Å; Y1364-V1373 HydrophobicContact CD1-CG2 3.9Å; Y1364-V1373 HydrophobicContact CD2-CG1 4.02Å; Y1364-V1373 HydrophobicContact CE1-CG1 4.05Å; Y1364-V1373 HydrophobicContact CE2-CG1 4.18Å; Y1364-V1373 HydrophobicContact CG-CG1 3.84Å; Y1364-V1373 HydrophobicContact CG-CG2 4.16Å; N1370-V1373 PolarHBondContact O-N 2.85Å; E1371-V1373 VanDerWaalsContact C-N 3.34Å; E1371-V1373 PolarHBondContact O-N 3.38Å; V1373-S1376 PolarHBondContact O-N 2.88Å; V1373-L1377 HydrophobicContact CG1-CD1 3.87Å; V1373-L1377 HydrophobicContact CG1-CG 4.38Å; V1373-L1377 WeakPolarHBondContact O-CB 3.44Å; V1373-L1377 WeakPolarHBondContact O-CG 3.33Å; V1373-L1377 PolarHBondContact O-N 3.47Å; V1373-M1427 HydrophobicContact CG1-CE 4.09Å; V1373-L1430 HydrophobicContact CB-CD1 4.37Å; V1373-L1430 HydrophobicContact CG1-CD1 3.96Å |
| 1374 | K | 91.7 | Very high | 90.5 | Very high | 79 Ų | 79 | 34 Ų | 34 | 34% | 0.343 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61 | -45.6 | 175.2 | -71.3 | 176.2 | -176.7 | 179 | 0 | 111.8 | N1370 E1371 Q1372 S1376 L1377 A1378 L1430 | N1370-K1374 WeakPolarHBondContact O-CG 3.36Å; N1370-K1374 PolarHBondContact O-N 2.89Å; E1371-K1374 WeakPolarHBondContact O-CB 3.28Å; E1371-K1374 PolarHBondContact O-N 3.23Å; Q1372-K1374 VanDerWaalsContact C-N 3.33Å; Q1372-K1374 PolarHBondContact O-N 3.47Å; K1374-S1376 PolarHBondContact O-N 3.01Å; K1374-L1377 PolarHBondContact O-N 3.44Å; K1374-A1378 VanDerWaalsContact O-CB 3.29Å; K1374-A1378 WeakPolarHBondContact O-CB 3.49Å; K1374-A1378 PolarHBondContact O-N 3.17Å; K1374-L1430 HydrophobicContact CD-CD2 4.29Å; K1374-L1430 HydrophobicContact CG-CD2 3.77Å |
| 1375 | N | 92.4 | Very high | 90.3 | Very high | 58 Ų | 58 | 36.1 Ų | 36.1 | 31% | 0.31 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 178.8 | -68.4 | -14.5 | 0 | 0 | 0 | 111.7 | E1371 Q1372 G1379 | E1371-N1375 PolarHBondContact O-N 3.19Å; Q1372-N1375 PolarHBondContact O-N 3.06Å; N1375-G1379 PolarHBondContact O-N 2.84Å |
| 1376 | S | 94.7 | Very high | 90 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.7 | -49 | 175.6 | -174.9 | 0 | 0 | 0 | 0 | 112.2 | I1288 A1342 L1348 Y1364 Q1372 V1373 K1374 G1379 L1380 | I1288-S1376 WeakPolarHBondContact CD1-OG 3.43Å; A1342-S1376 WeakPolarHBondContact O-CB 3.38Å; A1342-S1376 PolarHBondContact O-OG 2.88Å; L1348-S1376 WeakPolarHBondContact CD1-O 3.17Å; Y1364-S1376 WeakPolarHBondContact CE1-OG 3.28Å; Y1364-S1376 PolarHBondContact OH-OG 3.46Å; Y1364-S1376 VanDerWaalsContact OH-OG 3.09Å; Q1372-S1376 PolarHBondContact O-N 3.33Å; V1373-S1376 PolarHBondContact O-N 2.88Å; K1374-S1376 PolarHBondContact O-N 3.01Å; S1376-G1379 PolarHBondContact O-N 3.08Å; S1376-L1380 PolarHBondContact O-N 2.63Å |
| 1377 | L | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.9 | -40 | 179.2 | -72.8 | 169.7 | 0 | 0 | 0 | 112.4 | Y1364 V1373 K1374 L1380 A1381 L1390 M1427 L1430 V1431 A1434 | Y1364-L1377 HydrophobicContact CE2-CD2 3.9Å; Y1364-L1377 HydrophobicContact CE2-CG 4.17Å; Y1364-L1377 WeakPolarHBondContact OH-CD2 3.32Å; V1373-L1377 HydrophobicContact CG1-CD1 3.87Å; V1373-L1377 HydrophobicContact CG1-CG 4.38Å; V1373-L1377 WeakPolarHBondContact O-CB 3.44Å; V1373-L1377 WeakPolarHBondContact O-CG 3.33Å; V1373-L1377 PolarHBondContact O-N 3.47Å; K1374-L1377 PolarHBondContact O-N 3.44Å; L1377-L1380 PolarHBondContact O-N 3.34Å; L1377-A1381 WeakPolarHBondContact O-CB 3.37Å; L1377-A1381 PolarHBondContact O-N 3.43Å; L1377-L1390 HydrophobicContact CD2-CD2 3.71Å; L1377-M1427 HydrophobicContact CD1-CE 4.2Å; L1377-L1430 HydrophobicContact CD1-CB 3.95Å; L1377-L1430 WeakPolarHBondContact CD1-O 3.31Å; L1377-V1431 HydrophobicContact CD1-CG2 4.18Å; L1377-V1431 HydrophobicContact CD2-CG2 4.21Å; L1377-A1434 HydrophobicContact CB-CB 3.62Å |
| 1378 | A | 89.7 | Confident | 90 | Very high | 42 Ų | 42 | 36.3 Ų | 36.3 | 35% | 0.347 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | K1374 L1380 A1381 N1382 | K1374-A1378 VanDerWaalsContact O-CB 3.29Å; K1374-A1378 WeakPolarHBondContact O-CB 3.49Å; K1374-A1378 PolarHBondContact O-N 3.17Å; A1378-L1380 VanDerWaalsContact C-N 3.35Å; A1378-A1381 PolarHBondContact O-N 3.06Å; A1378-N1382 PolarHBondContact O-N 2.9Å; A1378-N1382 VanDerWaalsContact O-N 3.13Å; A1378-N1382 PolarHBondContact O-ND2 3.47Å |
| 1379 | G | 91 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1375 S1376 N1382 A1383 | N1375-G1379 PolarHBondContact O-N 2.84Å; S1376-G1379 PolarHBondContact O-N 3.08Å; G1379-N1382 PolarHBondContact O-N 3.46Å; G1379-A1383 WeakPolarHBondContact O-CB 3.44Å; G1379-A1383 PolarHBondContact O-N 2.79Å; G1379-A1383 VanDerWaalsContact O-N 3.13Å |
| 1380 | L | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 174.9 | -80.5 | 176.6 | 0 | 0 | 0 | 113.1 | I1288 L1348 A1358 V1360 S1376 L1377 A1378 N1382 A1383 I1384 L1390 | I1288-L1380 HydrophobicContact CD1-CD1 3.85Å; I1288-L1380 HydrophobicContact CD1-CG 4.27Å; I1288-L1380 HydrophobicContact CG2-CD2 3.78Å; L1348-L1380 HydrophobicContact CD1-CG 4.44Å; A1358-L1380 HydrophobicContact CB-CD2 3.83Å; V1360-L1380 HydrophobicContact CG2-CD1 3.55Å; S1376-L1380 PolarHBondContact O-N 2.63Å; L1377-L1380 PolarHBondContact O-N 3.34Å; A1378-L1380 VanDerWaalsContact C-N 3.35Å; L1380-N1382 PolarHBondContact O-N 2.93Å; L1380-A1383 PolarHBondContact O-N 3.4Å; L1380-I1384 HydrophobicContact CB-CD1 4.33Å; L1380-I1384 WeakPolarHBondContact O-CB 3.33Å; L1380-I1384 VanDerWaalsContact O-CG1 3.27Å; L1380-I1384 WeakPolarHBondContact O-CG1 3.35Å; L1380-I1384 PolarHBondContact O-N 2.98Å; L1380-L1390 HydrophobicContact CD1-CD1 3.88Å |
| 1381 | A | 90 | Very high | 90.8 | Very high | 19 Ų | 19 | 30.6 Ų | 30.6 | 16% | 0.157 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.6 | -37 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1377 A1378 A1434 F1436 L1456 | L1377-A1381 WeakPolarHBondContact O-CB 3.37Å; L1377-A1381 PolarHBondContact O-N 3.43Å; A1378-A1381 PolarHBondContact O-N 3.06Å; A1381-A1434 VanDerWaalsContact CB-O 3.32Å; A1381-A1434 WeakPolarHBondContact CB-O 3.34Å; A1381-F1436 HydrophobicContact CB-CE2 3.73Å; A1381-F1436 HydrophobicContact CB-CZ 4.05Å; A1381-L1456 HydrophobicContact CB-CD1 4.33Å |
| 1382 | N | 88.6 | Confident | 91 | Very high | 110 Ų | 110 | 24.5 Ų | 24.5 | 59% | 0.588 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -75.4 | -24.5 | 175.7 | -70 | -31.2 | 0 | 0 | 0 | 113.5 | A1378 G1379 L1380 | A1378-N1382 PolarHBondContact O-N 2.9Å; A1378-N1382 VanDerWaalsContact O-N 3.13Å; A1378-N1382 PolarHBondContact O-ND2 3.47Å; G1379-N1382 PolarHBondContact O-N 3.46Å; L1380-N1382 PolarHBondContact O-N 2.93Å |
| 1383 | A | 91 | Very high | 91.2 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -86.7 | -40.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | L1348 L1351 P1355 G1379 L1380 | L1348-A1383 WeakPolarHBondContact O-CB 3.47Å; L1351-A1383 HydrophobicContact CB-CB 4.5Å; L1351-A1383 HydrophobicContact CD1-CB 4.18Å; P1355-A1383 WeakPolarHBondContact CD-O 3.15Å; P1355-A1383 HydrophobicContact CG-CB 4.4Å; G1379-A1383 WeakPolarHBondContact O-CB 3.44Å; G1379-A1383 PolarHBondContact O-N 2.79Å; G1379-A1383 VanDerWaalsContact O-N 3.13Å; L1380-A1383 PolarHBondContact O-N 3.4Å |
| 1384 | I | 91.8 | Very high | 91.1 | Very high | 6 Ų | 6 | 22.3 Ų | 22.3 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -72.9 | 136.9 | -175.6 | -64.3 | 168.6 | 0 | 0 | 0 | 110.1 | P1355 A1358 L1380 F1436 L1456 | P1355-I1384 HydrophobicContact CG-CG1 4.03Å; P1355-I1384 VanDerWaalsContact O-CA 3.29Å; P1355-I1384 WeakPolarHBondContact O-CA 3.2Å; A1358-I1384 HydrophobicContact CB-CD1 3.3Å; A1358-I1384 HydrophobicContact CB-CG1 3.89Å; L1380-I1384 HydrophobicContact CB-CD1 4.33Å; L1380-I1384 WeakPolarHBondContact O-CB 3.33Å; L1380-I1384 VanDerWaalsContact O-CG1 3.27Å; L1380-I1384 WeakPolarHBondContact O-CG1 3.35Å; L1380-I1384 PolarHBondContact O-N 2.98Å; I1384-F1436 HydrophobicContact CD1-CE1 3.74Å; I1384-F1436 HydrophobicContact CD1-CZ 3.72Å; I1384-L1456 HydrophobicContact CB-CD2 4.15Å; I1384-L1456 HydrophobicContact CG2-CD2 4.08Å |
| 1385 | E | 86.3 | Confident | 91.2 | Very high | 47 Ų | 47 | 19.1 Ų | 19.1 | 22% | 0.22 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 147.8 | 176.1 | -66.1 | -172.4 | 175.7 | 0 | 0 | 112.3 | R1284 R1354 P1355 T1356 G1387 G1388 | R1284-E1385 IonicContact CZ-OE1 3.9Å; R1284-E1385 VanDerWaalsContact CZ-OE1 3.26Å; R1284-E1385 IonicContact CZ-OE2 3.15Å; R1284-E1385 IonicContact NH1-OE1 3.97Å; R1284-E1385 PolarHBondContact NH1-OE1 3.38Å; R1284-E1385 VanDerWaalsContact NH1-OE1 3.15Å; R1284-E1385 IonicContact NH2-OE1 2.85Å; R1284-E1385 PolarHBondContact NH2-OE1 3.18Å; R1284-E1385 IonicContact NH2-OE2 3.73Å; R1284-E1385 PolarHBondContact NH2-OE2 3.08Å; R1354-E1385 HydrophobicContact CB-CG 3.8Å; P1355-E1385 PolarHBondContact O-N 3.13Å; T1356-E1385 HydrophobicContact CG2-CB 4.24Å; T1356-E1385 HydrophobicContact CG2-CG 4.45Å; E1385-G1387 PolarHBondContact O-N 3.47Å; E1385-G1388 WeakPolarHBondContact O-CA 3.43Å; E1385-G1388 PolarHBondContact O-N 2.75Å |
| 1386 | P | 80.3 | Confident | 91.1 | Very high | 89 Ų | 89 | 16.5 Ų | 16.5 | 58% | 0.578 | 10% | 0.104 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 129.7 | 175 | -27.1 | 35 | 0 | 0 | 0 | 112.3 | G1388 | P1386-G1388 VanDerWaalsContact C-N 3.3Š|
| 1387 | G | 79.5 | Confident | 91 | Very high | 11 Ų | 11 | 18.5 Ų | 18.5 | 11% | 0.113 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -3.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K1279 E1385 L1456 | K1279-G1387 PolarHBondContact NZ-O 3.42Å; E1385-G1387 PolarHBondContact O-N 3.47Å; G1387-L1456 PolarHBondContact N-O 2.77Å |
| 1388 | G | 89.9 | Confident | 90.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -67.4 | 168.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1356 E1385 P1386 L1456 | T1356-G1388 CarbonylContact O-C 3.42Å; T1356-G1388 WeakPolarHBondContact O-CA 3.47Å; E1385-G1388 WeakPolarHBondContact O-CA 3.43Å; E1385-G1388 PolarHBondContact O-N 2.75Å; P1386-G1388 VanDerWaalsContact C-N 3.3Å; G1388-L1456 PolarHBondContact O-N 3.44Å | ||
| 1389 | I | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 137.7 | -169.6 | -55.5 | -171.6 | 0 | 0 | 0 | 110.5 | A1272 D1275 L1276 T1356 L1357 A1358 M1453 D1455 | A1272-I1389 HydrophobicContact CB-CD1 4.06Å; A1272-I1389 HydrophobicContact CB-CG2 4.04Å; D1275-I1389 HydrophobicContact CB-CD1 3.96Å; L1276-I1389 HydrophobicContact CD1-CD1 4.47Å; L1276-I1389 HydrophobicContact CD1-CG1 4.45Å; L1276-I1389 HydrophobicContact CD2-CD1 4.15Å; L1276-I1389 HydrophobicContact CD2-CG1 3.89Å; L1276-I1389 HydrophobicContact CG-CD1 3.82Å; L1276-I1389 HydrophobicContact CG-CG1 4.01Å; T1356-I1389 PolarHBondContact O-N 3.3Å; L1357-I1389 CarbonylContact C-O 3.59Å; L1357-I1389 WeakPolarHBondContact CA-O 3.35Å; L1357-I1389 HydrophobicContact CD1-CB 4.06Å; L1357-I1389 HydrophobicContact CD1-CG2 4.11Å; A1358-I1389 PolarHBondContact N-O 3.48Å; I1389-M1453 HydrophobicContact CG2-CG 3.36Å; I1389-M1453 HydrophobicContact CG2-SD 3.94Å; I1389-D1455 WeakPolarHBondContact CG1-OD1 3.49Å |
| 1390 | L | 96.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 123.1 | 170.1 | 175.6 | 65.7 | 0 | 0 | 0 | 110.2 | A1358 V1360 L1377 L1380 Y1392 V1431 F1436 M1453 A1454 | A1358-L1390 HydrophobicContact CB-CD1 3.96Å; A1358-L1390 CarbonylContact O-C 3.56Å; A1358-L1390 WeakPolarHBondContact O-CA 3.43Å; V1360-L1390 HydrophobicContact CG2-CD1 3.98Å; L1377-L1390 HydrophobicContact CD2-CD2 3.71Å; L1380-L1390 HydrophobicContact CD1-CD1 3.88Å; L1390-Y1392 HydrophobicContact CD2-CD1 4.25Å; L1390-Y1392 HydrophobicContact CG-CD1 4.23Å; L1390-V1431 HydrophobicContact CD2-CG1 4.39Å; L1390-F1436 HydrophobicContact CB-CD1 3.71Å; L1390-F1436 HydrophobicContact CB-CE1 3.69Å; L1390-F1436 HydrophobicContact CB-CG 4.34Å; L1390-F1436 HydrophobicContact CB-CZ 4.32Å; L1390-F1436 HydrophobicContact CD2-CD1 4.19Å; L1390-F1436 HydrophobicContact CD2-CD2 3.94Å; L1390-F1436 HydrophobicContact CD2-CE1 4.3Å; L1390-F1436 HydrophobicContact CD2-CE2 4.04Å; L1390-F1436 HydrophobicContact CD2-CG 4.02Å; L1390-F1436 HydrophobicContact CD2-CZ 4.23Å; L1390-M1453 CarbonylContact O-C 3.54Å; L1390-M1453 WeakPolarHBondContact O-CA 3.17Å; L1390-A1454 PolarHBondContact N-O 2.96Å; L1390-A1454 PolarHBondContact O-N 2.99Å |
| 1391 | I | 96.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123.6 | 166 | -63.6 | 176.3 | 0 | 0 | 0 | 108.3 | L1265 L1268 I1269 A1272 L1357 A1358 I1359 V1360 V1451 S1452 M1453 | L1265-I1391 HydrophobicContact CD2-CG2 3.75Å; L1268-I1391 HydrophobicContact CB-CD1 4.24Å; I1269-I1391 HydrophobicContact CB-CD1 4.28Å; I1269-I1391 HydrophobicContact CG1-CD1 3.73Å; A1272-I1391 HydrophobicContact CB-CD1 4.02Å; L1357-I1391 HydrophobicContact CD1-CD1 3.92Å; L1357-I1391 HydrophobicContact CD1-CG1 4.01Å; A1358-I1391 PolarHBondContact O-N 3.34Å; I1359-I1391 CarbonylContact C-O 3.39Å; I1359-I1391 WeakPolarHBondContact CA-O 3.44Å; I1359-I1391 HydrophobicContact CG1-CB 4.44Å; V1360-I1391 PolarHBondContact N-O 3.01Å; I1391-V1451 HydrophobicContact CG2-CG1 3.95Å; I1391-S1452 WeakPolarHBondContact CA-O 3.41Å; I1391-M1453 HydrophobicContact CG1-CG 4.22Å |
| 1392 | Y | 95.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 153.2 | 179.1 | 66.3 | -83.1 | 0 | 0 | 0 | 111.7 | V1360 L1390 M1427 D1428 V1431 K1438 S1452 A1454 | V1360-Y1392 CarbonylContact O-C 3.54Å; V1360-Y1392 VanDerWaalsContact O-CA 3.31Å; V1360-Y1392 WeakPolarHBondContact O-CA 3.23Å; L1390-Y1392 HydrophobicContact CD2-CD1 4.25Å; L1390-Y1392 HydrophobicContact CG-CD1 4.23Å; Y1392-M1427 HydrophobicContact CD2-CE 4.12Å; Y1392-M1427 HydrophobicContact CD2-CG 3.85Å; Y1392-M1427 HydrophobicContact CD2-SD 4.46Å; Y1392-M1427 HydrophobicContact CE2-CE 4.39Å; Y1392-M1427 HydrophobicContact CE2-CG 3.5Å; Y1392-D1428 PolarHBondContact OH-OD1 2.99Å; Y1392-D1428 VanDerWaalsContact OH-OD1 3.05Å; Y1392-V1431 HydrophobicContact CD1-CG1 4.49Å; Y1392-V1431 HydrophobicContact CD1-CG2 4.16Å; Y1392-V1431 HydrophobicContact CD2-CG2 4.2Å; Y1392-V1431 HydrophobicContact CE1-CB 4.41Å; Y1392-V1431 HydrophobicContact CE1-CG1 3.88Å; Y1392-V1431 HydrophobicContact CE1-CG2 3.88Å; Y1392-V1431 HydrophobicContact CE2-CG2 3.92Å; Y1392-V1431 HydrophobicContact CG-CG2 4.31Å; Y1392-K1438 WeakPolarHBondContact OH-CD 3.2Å; Y1392-S1452 VanDerWaalsContact CE1-CB 3.45Å; Y1392-S1452 PolarHBondContact N-O 3.25Å; Y1392-S1452 PolarHBondContact O-N 2.91Å; Y1392-A1454 HydrophobicContact CE1-CB 4.08Å |
| 1393 | T | 94.8 | Very high | 90 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 151.3 | 174.6 | 69.1 | 0 | 0 | 0 | 0 | 112 | R1261 L1265 V1360 G1362 E1365 T1450 V1451 | R1261-T1393 HydrophobicContact CG-CG2 4.1Å; L1265-T1393 HydrophobicContact CD1-CG2 4.2Å; L1265-T1393 HydrophobicContact CD2-CG2 3.89Å; L1265-T1393 HydrophobicContact CG-CG2 4.23Å; V1360-T1393 PolarHBondContact O-N 3.42Å; G1362-T1393 PolarHBondContact N-OG1 2.86Å; E1365-T1393 WeakPolarHBondContact OE1-CB 3.39Å; E1365-T1393 PolarHBondContact OE1-OG1 3.44Å; T1393-T1450 WeakPolarHBondContact CA-O 3.4Å; T1393-T1450 WeakPolarHBondContact CB-O 3.4Å; T1393-V1451 HydrophobicContact CG2-CG1 4.26Å; T1393-V1451 HydrophobicContact CG2-CG2 4.12Å |
| 1394 | G | 92.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 24.8 Ų | 24.8 | 5% | 0.052 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 161.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1365 F1449 T1450 | E1365-G1394 PolarHBondContact OE1-N 3.26Å; G1394-F1449 CarbonylContact O-C 3.06Å; G1394-F1449 VanDerWaalsContact O-CA 3.3Å; G1394-F1449 WeakPolarHBondContact O-CA 3.42Å; G1394-T1450 WeakPolarHBondContact CA-OG1 3.12Å; G1394-T1450 PolarHBondContact N-O 3.11Å; G1394-T1450 PolarHBondContact N-OG1 3.4Å; G1394-T1450 PolarHBondContact O-N 3.42Å; G1394-T1450 PolarHBondContact O-OG1 3.08Å |
| 1395 | Q | 92.3 | Very high | 89.5 | Confident | 12 Ų | 12 | 25.1 Ų | 25.1 | 6% | 0.056 | 14% | 0.137 | C | C | . | . | trans | -129.1 | 79.3 | 175.3 | -167.6 | -178.2 | 36.3 | 0 | 0 | 110.2 | E1365 W1397 H1398 V1421 I1448 F1449 | E1365-Q1395 HydrophobicContact CB-CB 4.32Å; E1365-Q1395 HydrophobicContact CG-CB 3.79Å; Q1395-W1397 VanDerWaalsContact C-N 3.28Å; Q1395-W1397 PolarHBondContact O-N 3.22Å; Q1395-H1398 PolarHBondContact NE2-CD2 2.96Å; Q1395-H1398 VanDerWaalsContact NE2-CD2 3.34Å; Q1395-V1421 WeakPolarHBondContact O-CB 3.23Å; Q1395-I1448 VanDerWaalsContact CA-O 3.23Å; Q1395-I1448 WeakPolarHBondContact CA-O 3.43Å; Q1395-I1448 HydrophobicContact CG-CG2 4.18Å; Q1395-I1448 WeakPolarHBondContact CG-O 3.37Å; Q1395-F1449 HydrophobicContact CB-CD1 4.21Å; Q1395-F1449 HydrophobicContact CB-CE1 4.29Å; Q1395-F1449 HydrophobicContact CG-CD1 4.1Å; Q1395-F1449 HydrophobicContact CG-CE1 3.93Å | ||
| 1396 | P | 91.8 | Very high | 89.4 | Confident | 4 Ų | 4 | 23.3 Ų | 23.3 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | trans | -65.8 | -28.1 | -175.5 | 25.9 | -35.2 | 0 | 0 | 0 | 113.8 | R1422 I1448 T1450 | P1396-R1422 VanDerWaalsContact CA-O 3.27Å; P1396-R1422 WeakPolarHBondContact CA-O 3.44Å; P1396-I1448 WeakPolarHBondContact CD-O 3.29Å; P1396-T1450 HydrophobicContact CG-CG2 3.91Å | ||
| 1397 | W | 90.8 | Very high | 89.6 | Confident | 42 Ų | 42 | 19.7 Ų | 19.7 | 16% | 0.159 | 11% | 0.108 | C | C | . | . | trans | -149.7 | 155.6 | -177 | 172.6 | 83.1 | 0 | 0 | 0 | 112 | R1084 Q1395 P1399 W1446 I1448 | R1084-W1397 HydrophobicContact CB-CZ2 4.24Å; R1084-W1397 HydrophobicContact CG-CD2 3.64Å; R1084-W1397 HydrophobicContact CG-CE3 4.1Å; R1084-W1397 HydrophobicContact CG-CG 3.96Å; R1084-W1397 HydrophobicContact CG-CH2 4.24Å; R1084-W1397 HydrophobicContact CG-CZ2 3.86Å; R1084-W1397 HydrophobicContact CG-CZ3 4.37Å; Q1395-W1397 VanDerWaalsContact C-N 3.28Å; Q1395-W1397 PolarHBondContact O-N 3.22Å; W1397-P1399 HydrophobicContact CH2-CB 3.39Å; W1397-P1399 HydrophobicContact CH2-CG 3.52Å; W1397-P1399 HydrophobicContact CZ2-CB 3.55Å; W1397-P1399 HydrophobicContact CZ2-CG 4.12Å; W1397-P1399 HydrophobicContact CZ3-CB 4.18Å; W1397-P1399 VanDerWaalsContact CZ3-CD 3.43Å; W1397-P1399 HydrophobicContact CZ3-CG 3.81Å; W1397-W1446 HydrophobicContact CZ3-CB 4.45Å; W1397-W1446 WeakPolarHBondContact CZ3-O 3.26Å; W1397-I1448 HydrophobicContact CE3-CG1 3.79Å; W1397-I1448 HydrophobicContact CZ3-CD1 4.43Å; W1397-I1448 HydrophobicContact CZ3-CG1 3.79Å; W1397-I1448 VanDerWaalsContact O-CA 3.29Å; W1397-I1448 WeakPolarHBondContact O-CA 3.46Å | ||
| 1398 | H | 90.7 | Very high | 90 | Very high | 10 Ų | 10 | 20 Ų | 20 | 5% | 0.046 | 11% | 0.107 | C | C | . | . | trans | -150.6 | 131.4 | 168.6 | -167.5 | -76.8 | 0 | 0 | 0 | 112.5 | Q1395 Q1400 L1401 I1404 V1421 | Q1395-H1398 PolarHBondContact NE2-CD2 2.96Å; Q1395-H1398 VanDerWaalsContact NE2-CD2 3.34Å; H1398-Q1400 VanDerWaalsContact C-N 3.34Å; H1398-Q1400 PolarHBondContact ND1-N 2.83Å; H1398-Q1400 PolarHBondContact O-N 2.73Å; H1398-L1401 HydrophobicContact CB-CD2 3.86Å; H1398-L1401 HydrophobicContact CB-CG 3.92Å; H1398-I1404 WeakPolarHBondContact CE1-CD1 3.08Å; H1398-V1421 HydrophobicContact CB-CG1 4.42Å | ||
| 1399 | P | 87.5 | Confident | 89.7 | Confident | 61 Ų | 61 | 22 Ų | 22 | 40% | 0.396 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -22.5 | -173.9 | 20.2 | -23.6 | 0 | 0 | 0 | 114.5 | V1253 W1397 I1448 | V1253-P1399 HydrophobicContact CG1-CG 3.82Å; W1397-P1399 HydrophobicContact CH2-CB 3.39Å; W1397-P1399 HydrophobicContact CH2-CG 3.52Å; W1397-P1399 HydrophobicContact CZ2-CB 3.55Å; W1397-P1399 HydrophobicContact CZ2-CG 4.12Å; W1397-P1399 HydrophobicContact CZ3-CB 4.18Å; W1397-P1399 VanDerWaalsContact CZ3-CD 3.43Å; W1397-P1399 HydrophobicContact CZ3-CG 3.81Å; P1399-I1448 HydrophobicContact CG-CD1 4.15Å |
| 1400 | Q | 87.8 | Confident | 89 | Confident | 56 Ų | 56 | 22.5 Ų | 22.5 | 26% | 0.262 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 25 | -171.1 | -46.5 | 176.4 | -61.4 | 0 | 0 | 113.5 | V1253 H1398 E1402 M1403 I1404 | V1253-Q1400 HydrophobicContact CG1-CG 4.15Å; H1398-Q1400 VanDerWaalsContact C-N 3.34Å; H1398-Q1400 PolarHBondContact ND1-N 2.83Å; H1398-Q1400 PolarHBondContact O-N 2.73Å; Q1400-E1402 VanDerWaalsContact C-N 3.31Å; Q1400-E1402 PolarHBondContact O-N 2.55Å; Q1400-M1403 HydrophobicContact CB-CB 4.27Å; Q1400-M1403 HydrophobicContact CB-CE 3.86Å; Q1400-M1403 HydrophobicContact CB-SD 4.42Å; Q1400-M1403 HydrophobicContact CG-CE 4.4Å; Q1400-M1403 PolarHBondContact O-N 3.31Å; Q1400-M1403 VanDerWaalsContact O-N 3.12Å; Q1400-I1404 HydrophobicContact CB-CG1 4.5Å; Q1400-I1404 WeakPolarHBondContact O-CG1 3.3Å; Q1400-I1404 PolarHBondContact O-N 2.93Å |
| 1401 | L | 87.4 | Confident | 88.2 | Confident | 21 Ų | 21 | 24.5 Ų | 24.5 | 11% | 0.11 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -51.5 | -45.7 | -178 | -73 | 173.4 | 0 | 0 | 0 | 113.4 | L1182 H1398 M1403 I1404 A1405 M1419 V1421 | L1182-L1401 HydrophobicContact CD1-CB 4.08Å; H1398-L1401 HydrophobicContact CB-CD2 3.86Å; H1398-L1401 HydrophobicContact CB-CG 3.92Å; L1401-M1403 PolarHBondContact O-N 3.42Å; L1401-I1404 PolarHBondContact O-N 3.29Å; L1401-A1405 WeakPolarHBondContact O-CB 3.31Å; L1401-A1405 PolarHBondContact O-N 2.77Å; L1401-M1419 HydrophobicContact CD2-CB 4.25Å; L1401-M1419 HydrophobicContact CD2-CE 3.85Å; L1401-V1421 HydrophobicContact CD1-CG1 4.02Å; L1401-V1421 HydrophobicContact CD1-CG2 4.24Å; L1401-V1421 HydrophobicContact CD2-CG1 4.02Å |
| 1402 | E | 86.2 | Confident | 87.1 | Confident | 91 Ų | 91 | 27.9 Ų | 27.9 | 43% | 0.425 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64 | -40.8 | 179.6 | -67.2 | 178.5 | -176.8 | 0 | 0 | 112.6 | R1178 L1182 Y1196 Q1400 G1406 | R1178-E1402 IonicContact CZ-OE1 2.76Å; R1178-E1402 IonicContact NH1-OE1 3.83Å; R1178-E1402 IonicContact NH2-OE1 3.75Å; R1178-E1402 PolarHBondContact NH2-OE1 2.85Å; L1182-E1402 HydrophobicContact CD2-CB 4.36Å; L1182-E1402 HydrophobicContact CD2-CG 3.84Å; Y1196-E1402 WeakPolarHBondContact CE2-O 3.42Å; Y1196-E1402 WeakPolarHBondContact OH-CB 3.44Å; Q1400-E1402 VanDerWaalsContact C-N 3.31Å; Q1400-E1402 PolarHBondContact O-N 2.55Å; E1402-G1406 PolarHBondContact O-N 3.32Å |
| 1403 | M | 86.7 | Confident | 85.9 | Confident | 57 Ų | 57 | 35 Ų | 35 | 28% | 0.281 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67.8 | -40.8 | 177.6 | -178.6 | -156.5 | 76.6 | 0 | 0 | 110.7 | Y1196 Q1400 L1401 G1406 V1407 | Y1196-M1403 HydrophobicContact CE1-CB 4.47Å; Q1400-M1403 HydrophobicContact CB-CB 4.27Å; Q1400-M1403 HydrophobicContact CB-CE 3.86Å; Q1400-M1403 HydrophobicContact CB-SD 4.42Å; Q1400-M1403 HydrophobicContact CG-CE 4.4Å; Q1400-M1403 PolarHBondContact O-N 3.31Å; Q1400-M1403 VanDerWaalsContact O-N 3.12Å; L1401-M1403 PolarHBondContact O-N 3.42Å; M1403-G1406 PolarHBondContact O-N 2.85Å; M1403-V1407 HydrophobicContact CG-CG2 4.34Å; M1403-V1407 WeakPolarHBondContact O-CB 3.37Å; M1403-V1407 WeakPolarHBondContact O-CG2 3.11Å; M1403-V1407 PolarHBondContact O-N 2.82Å |
| 1404 | I | 87.2 | Confident | 84.7 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.8 | -51.5 | 179.4 | -67.1 | 173.1 | 0 | 0 | 0 | 110.3 | H1398 Q1400 L1401 G1406 V1407 L1408 W1417 M1419 | H1398-I1404 WeakPolarHBondContact CE1-CD1 3.08Å; Q1400-I1404 HydrophobicContact CB-CG1 4.5Å; Q1400-I1404 WeakPolarHBondContact O-CG1 3.3Å; Q1400-I1404 PolarHBondContact O-N 2.93Å; L1401-I1404 PolarHBondContact O-N 3.29Å; I1404-G1406 PolarHBondContact O-N 3.16Å; I1404-V1407 PolarHBondContact O-N 3.22Å; I1404-L1408 HydrophobicContact CB-CD1 4.37Å; I1404-L1408 HydrophobicContact CG1-CD1 3.94Å; I1404-L1408 HydrophobicContact CG2-CB 4.29Å; I1404-L1408 HydrophobicContact CG2-CD1 4.09Å; I1404-L1408 HydrophobicContact CG2-CG 4.46Å; I1404-L1408 PolarHBondContact O-N 2.76Å; I1404-W1417 HydrophobicContact CG2-CB 4.1Å; I1404-W1417 HydrophobicContact CG2-CD2 3.53Å; I1404-W1417 HydrophobicContact CG2-CE3 3.34Å; I1404-W1417 HydrophobicContact CG2-CG 3.89Å; I1404-W1417 HydrophobicContact CG2-CZ3 3.94Å; I1404-M1419 HydrophobicContact CB-CE 4.13Å; I1404-M1419 HydrophobicContact CD1-CE 3.53Å; I1404-M1419 HydrophobicContact CG1-CE 4.42Å; I1404-M1419 HydrophobicContact CG2-CE 3.69Å |
| 1405 | A | 86.6 | Confident | 84.1 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.3 | -35.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1182 L1401 W1417 V1418 | L1182-A1405 HydrophobicContact CB-CB 4.22Å; L1182-A1405 HydrophobicContact CD2-CB 4.28Å; L1401-A1405 WeakPolarHBondContact O-CB 3.31Å; L1401-A1405 PolarHBondContact O-N 2.77Å; A1405-W1417 VanDerWaalsContact CA-O 3.25Å; A1405-W1417 WeakPolarHBondContact CA-O 3.36Å; A1405-W1417 PolarHBondContact N-O 2.9Å; A1405-V1418 HydrophobicContact CB-CG2 4.13Å |
| 1406 | G | 83.5 | Confident | 83.5 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 10% | 0.103 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -78.9 | -31.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1200 E1402 M1403 I1404 | R1200-G1406 PolarHBondContact NH1-O 3.19Å; E1402-G1406 PolarHBondContact O-N 3.32Å; M1403-G1406 PolarHBondContact O-N 2.85Å; I1404-G1406 PolarHBondContact O-N 3.16Å |
| 1407 | V | 85.1 | Confident | 83.3 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -120.5 | -36.9 | -164 | -177.3 | 0 | 0 | 0 | 0 | 113.5 | Y1196 M1199 R1200 M1203 M1403 I1404 | Y1196-V1407 HydrophobicContact CD1-CG2 3.75Å; Y1196-V1407 HydrophobicContact CE1-CG2 4.49Å; Y1196-V1407 HydrophobicContact CG-CG2 3.96Å; M1199-V1407 HydrophobicContact CB-CG1 3.98Å; M1199-V1407 HydrophobicContact CB-CG2 4Å; M1199-V1407 HydrophobicContact SD-CG2 4.12Å; R1200-V1407 HydrophobicContact CG-CB 4.47Å; R1200-V1407 HydrophobicContact CG-CG1 4.11Å; M1203-V1407 HydrophobicContact SD-CG1 3.36Å; M1203-V1407 WeakPolarHBondContact SD-CG1 3.28Å; M1403-V1407 HydrophobicContact CG-CG2 4.34Å; M1403-V1407 WeakPolarHBondContact O-CB 3.37Å; M1403-V1407 WeakPolarHBondContact O-CG2 3.11Å; M1403-V1407 PolarHBondContact O-N 2.82Å; I1404-V1407 PolarHBondContact O-N 3.22Å |
| 1408 | L | 86.7 | Confident | 83.1 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.094 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 148.7 | -171.5 | -54.1 | -173.9 | 0 | 0 | 0 | 112 | M1203 F1221 I1404 W1417 | M1203-L1408 HydrophobicContact CE-CD2 3.6Å; M1203-L1408 HydrophobicContact SD-CD2 4.13Å; F1221-L1408 HydrophobicContact CB-CB 4.43Å; F1221-L1408 HydrophobicContact CB-CD1 4.47Å; F1221-L1408 HydrophobicContact CD1-CD2 4.32Å; F1221-L1408 HydrophobicContact CD2-CB 4Å; F1221-L1408 HydrophobicContact CD2-CD2 4.13Å; F1221-L1408 HydrophobicContact CE1-CD2 4.33Å; F1221-L1408 HydrophobicContact CE2-CD2 4.14Å; F1221-L1408 HydrophobicContact CG-CB 4.27Å; F1221-L1408 HydrophobicContact CG-CD1 4.45Å; F1221-L1408 HydrophobicContact CG-CD2 4.22Å; F1221-L1408 HydrophobicContact CZ-CD2 4.25Å; I1404-L1408 HydrophobicContact CB-CD1 4.37Å; I1404-L1408 HydrophobicContact CG1-CD1 3.94Å; I1404-L1408 HydrophobicContact CG2-CB 4.29Å; I1404-L1408 HydrophobicContact CG2-CD1 4.09Å; I1404-L1408 HydrophobicContact CG2-CG 4.46Å; I1404-L1408 PolarHBondContact O-N 2.76Å; L1408-W1417 HydrophobicContact CB-CB 4.44Å; L1408-W1417 HydrophobicContact CB-CE3 3.91Å; L1408-W1417 HydrophobicContact CD1-CE3 3.81Å; L1408-W1417 HydrophobicContact CD1-CZ3 3.8Å; L1408-W1417 PolarHBondContact O-N 2.89Å |
| 1409 | T | 83.8 | Confident | 82.9 | Confident | 40 Ų | 40 | 47.4 Ų | 47.4 | 25% | 0.245 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -102.6 | 145.4 | 178.9 | 48.9 | 0 | 0 | 0 | 0 | 111.8 | F1221 G1414 K1415 | F1221-T1409 PolarHBondContact N-O 3.2Å; T1409-G1414 WeakPolarHBondContact CG2-O 3.39Å; T1409-K1415 CarbonylContact C-O 3.59Å; T1409-K1415 WeakPolarHBondContact CA-O 3.45Å |
| 1410 | S | 80.9 | Confident | 83 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 8% | 0.077 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -90.7 | 158.4 | 173.8 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | D1222 K1412 G1414 K1415 | D1222-S1410 VanDerWaalsContact OD1-CA 3.28Å; D1222-S1410 WeakPolarHBondContact OD1-CA 3.21Å; D1222-S1410 WeakPolarHBondContact OD2-CB 3.2Å; D1222-S1410 PolarHBondContact OD2-OG 3.09Å; S1410-K1412 PolarHBondContact O-N 3.41Å; S1410-K1412 PolarHBondContact OG-N 2.96Å; S1410-G1414 PolarHBondContact O-N 2.85Å; S1410-K1415 PolarHBondContact N-O 2.77Å |
| 1411 | H | 78.5 | Confident | 83.2 | Confident | 42 Ų | 42 | 42.9 Ų | 42.9 | 19% | 0.194 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -17.5 | 169.5 | 67.7 | -87.5 | 0 | 0 | 0 | 113 | T1219 D1222 Y1314 D1413 | T1219-H1411 WeakPolarHBondContact O-CA 3.27Å; T1219-H1411 WeakPolarHBondContact O-CB 3.31Å; D1222-H1411 IonicContact OD1-CG 2.67Å; D1222-H1411 PolarHBondContact OD1-N 3.14Å; D1222-H1411 IonicContact OD1-ND1 3.17Å; D1222-H1411 PolarHBondContact OD1-ND1 3.35Å; D1222-H1411 IonicContact OD2-CE1 3.77Å; D1222-H1411 PolarHBondContact OD2-CE1 2.87Å; D1222-H1411 IonicContact OD2-ND1 2.79Å; D1222-H1411 PolarHBondContact OD2-ND1 3.04Å; Y1314-H1411 PolarHBondContact OH-CD2 2.98Å; H1411-D1413 VanDerWaalsContact C-N 3.3Å; H1411-D1413 PolarHBondContact O-N 3.48Å |
| 1412 | K | 73.7 | Confident | 83.4 | Confident | 72 Ų | 72 | 42.6 Ų | 42.6 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 73.5 | 174.7 | -60.8 | 179.8 | 179.5 | 174.8 | 0 | 111.1 | F1367 S1410 G1414 K1415 | F1367-K1412 VanDerWaalsContact CE1-NZ 3.31Å; S1410-K1412 PolarHBondContact O-N 3.41Å; S1410-K1412 PolarHBondContact OG-N 2.96Å; K1412-G1414 VanDerWaalsContact C-N 3.33Å; K1412-G1414 PolarHBondContact O-N 3.17Å; K1412-K1415 WeakPolarHBondContact O-CB 3.45Å; K1412-K1415 WeakPolarHBondContact O-CD 3.2Å; K1412-K1415 VanDerWaalsContact O-CG 3.25Å; K1412-K1415 WeakPolarHBondContact O-CG 3.3Å; K1412-K1415 PolarHBondContact O-N 2.87Å |
| 1413 | D | 70.1 | Confident | 83.7 | Confident | 148 Ų | 148 | 39 Ų | 39 | 79% | 0.791 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 29.9 | 173.8 | -49.8 | -47.7 | 0 | 0 | 0 | 115.6 | H1411 K1415 | H1411-D1413 VanDerWaalsContact C-N 3.3Å; H1411-D1413 PolarHBondContact O-N 3.48Å; D1413-K1415 PolarHBondContact O-N 3.2Å |
| 1414 | G | 68.9 | Low | 84 | Confident | 48 Ų | 48 | 36.3 Ų | 36.3 | 50% | 0.495 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 15.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | T1409 S1410 K1412 | T1409-G1414 WeakPolarHBondContact CG2-O 3.39Å; S1410-G1414 PolarHBondContact O-N 2.85Å; K1412-G1414 VanDerWaalsContact C-N 3.33Å; K1412-G1414 PolarHBondContact O-N 3.17Å |
| 1415 | K | 79.7 | Confident | 84.2 | Confident | 124 Ų | 124 | 36.3 Ų | 36.3 | 54% | 0.539 | 21% | 0.207 | S | C | . | . | trans | -60.8 | 153.8 | 171.9 | -70.9 | 173.4 | -174.6 | 167.6 | 0 | 110.9 | T1409 S1410 K1412 D1413 W1417 | T1409-K1415 CarbonylContact C-O 3.59Å; T1409-K1415 WeakPolarHBondContact CA-O 3.45Å; S1410-K1415 PolarHBondContact N-O 2.77Å; K1412-K1415 WeakPolarHBondContact O-CB 3.45Å; K1412-K1415 WeakPolarHBondContact O-CD 3.2Å; K1412-K1415 VanDerWaalsContact O-CG 3.25Å; K1412-K1415 WeakPolarHBondContact O-CG 3.3Å; K1412-K1415 PolarHBondContact O-N 2.87Å; D1413-K1415 PolarHBondContact O-N 3.2Å; K1415-W1417 PolarHBondContact O-N 3.17Å | ||
| 1416 | P | 81.2 | Confident | 84.6 | Confident | 86 Ų | 86 | 35.8 Ų | 35.8 | 56% | 0.558 | 20% | 0.202 | S | C | * | . | B | Isolated β-bridge | trans | -54.9 | 135.3 | 171.7 | -22.8 | 33 | 0 | 0 | 0 | 111.3 | V1418 | P1416-V1418 HydrophobicContact CB-CG2 4.3Å; P1416-V1418 PolarHBondContact O-N 2.96Å; P1416-V1418 VanDerWaalsContact O-N 3.1Å |
| 1417 | W | 85.7 | Confident | 85 | Confident | 30 Ų | 30 | 35.5 Ų | 35.5 | 11% | 0.114 | 20% | 0.198 | C | C | . | . | trans | -79.9 | 92.9 | -179.9 | -177.3 | 20.4 | 0 | 0 | 0 | 110.7 | F1221 D1222 W1255 I1404 A1405 L1408 K1415 M1419 | F1221-W1417 HydrophobicContact CB-CE3 4.07Å; F1221-W1417 HydrophobicContact CB-CZ3 4.06Å; D1222-W1417 HydrophobicContact CB-CD2 4.3Å; D1222-W1417 HydrophobicContact CB-CH2 4.45Å; D1222-W1417 HydrophobicContact CB-CZ2 3.93Å; W1255-W1417 HydrophobicContact CH2-CH2 4.39Å; W1255-W1417 HydrophobicContact CH2-CZ3 4.23Å; I1404-W1417 HydrophobicContact CG2-CB 4.1Å; I1404-W1417 HydrophobicContact CG2-CD2 3.53Å; I1404-W1417 HydrophobicContact CG2-CE3 3.34Å; I1404-W1417 HydrophobicContact CG2-CG 3.89Å; I1404-W1417 HydrophobicContact CG2-CZ3 3.94Å; A1405-W1417 VanDerWaalsContact CA-O 3.25Å; A1405-W1417 WeakPolarHBondContact CA-O 3.36Å; A1405-W1417 PolarHBondContact N-O 2.9Å; L1408-W1417 HydrophobicContact CB-CB 4.44Å; L1408-W1417 HydrophobicContact CB-CE3 3.91Å; L1408-W1417 HydrophobicContact CD1-CE3 3.81Å; L1408-W1417 HydrophobicContact CD1-CZ3 3.8Å; L1408-W1417 PolarHBondContact O-N 2.89Å; K1415-W1417 PolarHBondContact O-N 3.17Å; W1417-M1419 HydrophobicContact CD2-SD 4.35Å; W1417-M1419 HydrophobicContact CG-CG 4.5Å; W1417-M1419 HydrophobicContact CH2-SD 4.2Å; W1417-M1419 HydrophobicContact CZ2-CE 4.17Å; W1417-M1419 HydrophobicContact CZ2-CG 4.28Å; W1417-M1419 HydrophobicContact CZ2-SD 3.31Å; W1417-M1419 WeakPolarHBondContact CZ2-SD 3.49Å; W1417-M1419 PolarHBondContact NE1-SD 3.4Å | ||
| 1418 | V | 86.7 | Confident | 85.3 | Confident | 35 Ų | 35 | 35.3 Ų | 35.3 | 21% | 0.212 | 20% | 0.197 | C | C | . | . | trans | -105.2 | 111.8 | -179.9 | -169.5 | 0 | 0 | 0 | 0 | 110.5 | W1179 L1182 A1405 P1416 | W1179-V1418 HydrophobicContact CG-CG1 4.49Å; W1179-V1418 PolarHBondContact NE1-O 3.37Å; L1182-V1418 HydrophobicContact CB-CG1 3.72Å; A1405-V1418 HydrophobicContact CB-CG2 4.13Å; P1416-V1418 HydrophobicContact CB-CG2 4.3Å; P1416-V1418 PolarHBondContact O-N 2.96Å; P1416-V1418 VanDerWaalsContact O-N 3.1Å | ||
| 1419 | M | 86.6 | Confident | 85.5 | Confident | 12 Ų | 12 | 35.1 Ų | 35.1 | 6% | 0.059 | 20% | 0.197 | C | C | . | . | trans | -100.8 | 140.1 | -176.7 | -62.9 | 179 | -68.2 | 0 | 0 | 112.1 | L1401 I1404 W1417 | L1401-M1419 HydrophobicContact CD2-CB 4.25Å; L1401-M1419 HydrophobicContact CD2-CE 3.85Å; I1404-M1419 HydrophobicContact CB-CE 4.13Å; I1404-M1419 HydrophobicContact CD1-CE 3.53Å; I1404-M1419 HydrophobicContact CG1-CE 4.42Å; I1404-M1419 HydrophobicContact CG2-CE 3.69Å; W1417-M1419 HydrophobicContact CD2-SD 4.35Å; W1417-M1419 HydrophobicContact CG-CG 4.5Å; W1417-M1419 HydrophobicContact CH2-SD 4.2Å; W1417-M1419 HydrophobicContact CZ2-CE 4.17Å; W1417-M1419 HydrophobicContact CZ2-CG 4.28Å; W1417-M1419 HydrophobicContact CZ2-SD 3.31Å; W1417-M1419 WeakPolarHBondContact CZ2-SD 3.49Å; W1417-M1419 PolarHBondContact NE1-SD 3.4Å | ||
| 1420 | R | 91.1 | Very high | 85.9 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | trans | -99.8 | 112.6 | 164.5 | -173.8 | 177.3 | 76.5 | 102.2 | -1.2 | 108.2 | S1175 W1179 P1368 N1370 R1422 E1426 | S1175-R1420 PolarHBondContact OG-NH1 3.22Å; S1175-R1420 VanDerWaalsContact OG-NH1 3.12Å; W1179-R1420 HydrophobicContact CB-CB 4Å; W1179-R1420 HydrophobicContact CB-CG 4.14Å; W1179-R1420 HydrophobicContact CG-CB 3.99Å; P1368-R1420 HydrophobicContact CB-CB 3.95Å; P1368-R1420 PolarHBondContact O-NE 3.28Å; P1368-R1420 PolarHBondContact O-NH2 2.95Å; N1370-R1420 PolarHBondContact OD1-NH2 3Å; R1420-R1422 PolarHBondContact O-N 3.08Å; R1420-E1426 IonicContact CZ-OE1 3.88Å; R1420-E1426 VanDerWaalsContact CZ-OE1 3.3Å; R1420-E1426 IonicContact NH1-OE1 2.8Å; R1420-E1426 PolarHBondContact NH1-OE1 2.89Å; R1420-E1426 IonicContact NH1-OE2 3.83Å; R1420-E1426 PolarHBondContact NH1-OE2 3.29Å; R1420-E1426 IonicContact NH2-OE1 3.73Å; R1420-E1426 PolarHBondContact NH2-OE1 2.86Å | ||
| 1421 | V | 91 | Very high | 86.4 | Confident | 16 Ų | 16 | 33 Ų | 33 | 10% | 0.097 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 127.2 | 171.2 | -68.3 | 0 | 0 | 0 | 0 | 109.1 | S1175 Q1395 H1398 L1401 | S1175-V1421 WeakPolarHBondContact CB-O 3.38Å; Q1395-V1421 WeakPolarHBondContact O-CB 3.23Å; H1398-V1421 HydrophobicContact CB-CG1 4.42Å; L1401-V1421 HydrophobicContact CD1-CG1 4.02Å; L1401-V1421 HydrophobicContact CD1-CG2 4.24Å; L1401-V1421 HydrophobicContact CD2-CG1 4.02Å |
| 1422 | R | 92.2 | Very high | 86.8 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 5% | 0.053 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -99 | 128.5 | 174.8 | -73.9 | -172.4 | -178.6 | 70.7 | -0.4 | 109.1 | Y1364 F1367 P1368 E1369 N1370 P1396 R1420 E1426 | Y1364-R1422 PolarHBondContact O-NH1 3.16Å; F1367-R1422 PolarHBondContact O-NH1 3.05Å; F1367-R1422 PolarHBondContact O-NH2 3.49Å; P1368-R1422 VanDerWaalsContact C-NH2 3.25Å; P1368-R1422 PolarHBondContact O-NH2 3.36Å; P1368-R1422 VanDerWaalsContact O-NH2 3.09Å; E1369-R1422 VanDerWaalsContact C-NH2 3.33Å; E1369-R1422 PolarHBondContact O-NH2 2.88Å; N1370-R1422 PolarHBondContact OD1-NE 2.97Å; P1396-R1422 VanDerWaalsContact CA-O 3.27Å; P1396-R1422 WeakPolarHBondContact CA-O 3.44Å; R1420-R1422 PolarHBondContact O-N 3.08Å; R1422-E1426 WeakPolarHBondContact CG-OE2 3.41Å; R1422-E1426 IonicContact NE-OE1 2.82Å |
| 1423 | S | 92.5 | Very high | 87.4 | Confident | 15 Ų | 15 | 37.3 Ų | 37.3 | 11% | 0.105 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -60 | 153.5 | 176.2 | 71.2 | 0 | 0 | 0 | 0 | 111.1 | G1425 E1426 M1427 | S1423-G1425 PolarHBondContact O-N 3.34Å; S1423-E1426 WeakPolarHBondContact O-CB 3.28Å; S1423-E1426 PolarHBondContact O-N 2.85Å; S1423-E1426 VanDerWaalsContact O-N 3.14Å; S1423-E1426 WeakPolarHBondContact OG-CB 3.04Å; S1423-E1426 PolarHBondContact OG-N 2.86Å; S1423-M1427 PolarHBondContact O-N 2.62Å; S1423-M1427 VanDerWaalsContact O-N 3.13Å |
| 1424 | Q | 93.4 | Very high | 88.2 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.2 | -35.8 | 178.1 | -171.7 | 61.2 | 46.3 | 0 | 0 | 111.6 | A1003 E1426 M1427 D1428 T1450 | A1003-Q1424 HydrophobicContact CB-CB 3.97Å; A1003-Q1424 HydrophobicContact CB-CG 4.11Å; Q1424-E1426 PolarHBondContact O-N 3.46Å; Q1424-M1427 PolarHBondContact O-N 2.92Å; Q1424-D1428 PolarHBondContact NE2-OD1 3.42Å; Q1424-D1428 WeakPolarHBondContact O-CB 3.11Å; Q1424-D1428 PolarHBondContact O-N 3.46Å; Q1424-T1450 PolarHBondContact OE1-OG1 3.35Å |
| 1425 | G | 91.3 | Very high | 89 | Confident | 7 Ų | 7 | 30.7 Ų | 30.7 | 7% | 0.072 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.4 | -37.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1423 S1429 | S1423-G1425 PolarHBondContact O-N 3.34Å; G1425-S1429 PolarHBondContact O-N 2.65Å |
| 1426 | E | 93.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.7 | -47.9 | 173.4 | -179.1 | -177 | -178 | 0 | 0 | 110.8 | Y1166 E1169 N1370 R1420 R1422 S1423 Q1424 S1429 L1430 | Y1166-E1426 HydrophobicContact CD1-CB 3.85Å; Y1166-E1426 HydrophobicContact CE1-CB 4.49Å; Y1166-E1426 HydrophobicContact CG-CB 4.4Å; E1169-E1426 VanDerWaalsContact CB-CD 3.46Å; E1169-E1426 HydrophobicContact CB-CG 4.06Å; E1169-E1426 WeakPolarHBondContact CB-OE1 3.24Å; E1169-E1426 HydrophobicContact CG-CG 4.29Å; N1370-E1426 PolarHBondContact ND2-OE1 2.69Å; N1370-E1426 PolarHBondContact OD1-OE1 2.97Å; N1370-E1426 VanDerWaalsContact OD1-OE1 3.08Å; R1420-E1426 IonicContact CZ-OE1 3.88Å; R1420-E1426 VanDerWaalsContact CZ-OE1 3.3Å; R1420-E1426 IonicContact NH1-OE1 2.8Å; R1420-E1426 PolarHBondContact NH1-OE1 2.89Å; R1420-E1426 IonicContact NH1-OE2 3.83Å; R1420-E1426 PolarHBondContact NH1-OE2 3.29Å; R1420-E1426 IonicContact NH2-OE1 3.73Å; R1420-E1426 PolarHBondContact NH2-OE1 2.86Å; R1422-E1426 WeakPolarHBondContact CG-OE2 3.41Å; R1422-E1426 IonicContact NE-OE1 2.82Å; S1423-E1426 WeakPolarHBondContact O-CB 3.28Å; S1423-E1426 PolarHBondContact O-N 2.85Å; S1423-E1426 VanDerWaalsContact O-N 3.14Å; S1423-E1426 WeakPolarHBondContact OG-CB 3.04Å; S1423-E1426 PolarHBondContact OG-N 2.86Å; Q1424-E1426 PolarHBondContact O-N 3.46Å; E1426-S1429 WeakPolarHBondContact O-CB 3.36Å; E1426-S1429 PolarHBondContact O-N 3.15Å; E1426-L1430 WeakPolarHBondContact O-CG 3.49Å; E1426-L1430 PolarHBondContact O-N 2.88Å; E1426-L1430 VanDerWaalsContact O-N 3.12Å |
| 1427 | M | 93.3 | Very high | 89.5 | Confident | 5 Ų | 5 | 23.9 Ų | 23.9 | 3% | 0.025 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.5 | -43.2 | 179.3 | -169.2 | 69.2 | -124.5 | 0 | 0 | 112 | Y1364 V1373 L1377 Y1392 S1423 Q1424 S1429 L1430 V1431 | Y1364-M1427 HydrophobicContact CD2-CE 3.58Å; Y1364-M1427 HydrophobicContact CD2-SD 4.13Å; Y1364-M1427 HydrophobicContact CE2-CE 3.93Å; V1373-M1427 HydrophobicContact CG1-CE 4.09Å; L1377-M1427 HydrophobicContact CD1-CE 4.2Å; Y1392-M1427 HydrophobicContact CD2-CE 4.12Å; Y1392-M1427 HydrophobicContact CD2-CG 3.85Å; Y1392-M1427 HydrophobicContact CD2-SD 4.46Å; Y1392-M1427 HydrophobicContact CE2-CE 4.39Å; Y1392-M1427 HydrophobicContact CE2-CG 3.5Å; S1423-M1427 PolarHBondContact O-N 2.62Å; S1423-M1427 VanDerWaalsContact O-N 3.13Å; Q1424-M1427 PolarHBondContact O-N 2.92Å; M1427-S1429 VanDerWaalsContact C-N 3.27Å; M1427-S1429 PolarHBondContact O-N 2.98Å; M1427-L1430 HydrophobicContact CE-CB 4.45Å; M1427-L1430 PolarHBondContact O-N 2.83Å; M1427-V1431 HydrophobicContact CE-CG2 3.5Å; M1427-V1431 WeakPolarHBondContact O-CG2 3.18Å; M1427-V1431 PolarHBondContact O-N 3.35Å; M1427-V1431 VanDerWaalsContact O-N 3.07Å |
| 1428 | D | 90.8 | Very high | 89.7 | Confident | 8 Ų | 8 | 24.5 Ų | 24.5 | 4% | 0.043 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.3 | -32.3 | 177.3 | -67.4 | -15.1 | 0 | 0 | 0 | 112.3 | Y1392 Q1424 R1432 K1438 | Y1392-D1428 PolarHBondContact OH-OD1 2.99Å; Y1392-D1428 VanDerWaalsContact OH-OD1 3.05Å; Q1424-D1428 PolarHBondContact NE2-OD1 3.42Å; Q1424-D1428 WeakPolarHBondContact O-CB 3.11Å; Q1424-D1428 PolarHBondContact O-N 3.46Å; D1428-R1432 VanDerWaalsContact O-CB 3.27Å; D1428-R1432 WeakPolarHBondContact O-CB 3.29Å; D1428-R1432 PolarHBondContact O-N 3.38Å; D1428-R1432 VanDerWaalsContact O-N 3.09Å; D1428-K1438 WeakPolarHBondContact OD1-CD 3.27Å; D1428-K1438 IonicContact OD1-NZ 2.75Å; D1428-K1438 PolarHBondContact OD1-NZ 3.04Å; D1428-K1438 VanDerWaalsContact OD1-NZ 3.15Å; D1428-K1438 WeakPolarHBondContact OD2-CE 3.19Å; D1428-K1438 IonicContact OD2-NZ 3.43Å; D1428-K1438 PolarHBondContact OD2-NZ 3.41Å |
| 1429 | S | 90.3 | Very high | 89.6 | Confident | 14 Ų | 14 | 25 Ų | 25 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.1 | -47.4 | 173.2 | -161.4 | 0 | 0 | 0 | 0 | 111.3 | G1425 E1426 M1427 V1431 R1432 D1433 | G1425-S1429 PolarHBondContact O-N 2.65Å; E1426-S1429 WeakPolarHBondContact O-CB 3.36Å; E1426-S1429 PolarHBondContact O-N 3.15Å; M1427-S1429 VanDerWaalsContact C-N 3.27Å; M1427-S1429 PolarHBondContact O-N 2.98Å; S1429-V1431 VanDerWaalsContact C-N 3.33Å; S1429-V1431 PolarHBondContact O-N 3.07Å; S1429-R1432 PolarHBondContact O-N 3.4Å; S1429-D1433 WeakPolarHBondContact O-CB 3.37Å; S1429-D1433 PolarHBondContact O-N 3.03Å |
| 1430 | L | 91.8 | Very high | 89.7 | Confident | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.037 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.4 | -41.1 | -179.7 | -66.1 | 171.1 | 0 | 0 | 0 | 112.3 | N1370 V1373 K1374 L1377 E1426 M1427 A1434 | N1370-L1430 HydrophobicContact CB-CD2 4.25Å; V1373-L1430 HydrophobicContact CB-CD1 4.37Å; V1373-L1430 HydrophobicContact CG1-CD1 3.96Å; K1374-L1430 HydrophobicContact CD-CD2 4.29Å; K1374-L1430 HydrophobicContact CG-CD2 3.77Å; L1377-L1430 HydrophobicContact CD1-CB 3.95Å; L1377-L1430 WeakPolarHBondContact CD1-O 3.31Å; E1426-L1430 WeakPolarHBondContact O-CG 3.49Å; E1426-L1430 PolarHBondContact O-N 2.88Å; E1426-L1430 VanDerWaalsContact O-N 3.12Å; M1427-L1430 HydrophobicContact CE-CB 4.45Å; M1427-L1430 PolarHBondContact O-N 2.83Å; L1430-A1434 PolarHBondContact O-N 3.26Å |
| 1431 | V | 91.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67 | -43.1 | 178 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | L1377 L1390 Y1392 M1427 S1429 A1434 F1436 A1454 | L1377-V1431 HydrophobicContact CD1-CG2 4.18Å; L1377-V1431 HydrophobicContact CD2-CG2 4.21Å; L1390-V1431 HydrophobicContact CD2-CG1 4.39Å; Y1392-V1431 HydrophobicContact CD1-CG1 4.49Å; Y1392-V1431 HydrophobicContact CD1-CG2 4.16Å; Y1392-V1431 HydrophobicContact CD2-CG2 4.2Å; Y1392-V1431 HydrophobicContact CE1-CB 4.41Å; Y1392-V1431 HydrophobicContact CE1-CG1 3.88Å; Y1392-V1431 HydrophobicContact CE1-CG2 3.88Å; Y1392-V1431 HydrophobicContact CE2-CG2 3.92Å; Y1392-V1431 HydrophobicContact CG-CG2 4.31Å; M1427-V1431 HydrophobicContact CE-CG2 3.5Å; M1427-V1431 WeakPolarHBondContact O-CG2 3.18Å; M1427-V1431 PolarHBondContact O-N 3.35Å; M1427-V1431 VanDerWaalsContact O-N 3.07Å; S1429-V1431 VanDerWaalsContact C-N 3.33Å; S1429-V1431 PolarHBondContact O-N 3.07Å; V1431-A1434 PolarHBondContact O-N 3.24Å; V1431-F1436 CarbonylContact C-O 3.52Å; V1431-F1436 HydrophobicContact CG1-CB 3.53Å; V1431-F1436 HydrophobicContact CG1-CG 4.42Å; V1431-F1436 PolarHBondContact O-N 3.5Å; V1431-F1436 VanDerWaalsContact O-N 3.16Å; V1431-A1454 HydrophobicContact CG1-CB 3.87Å |
| 1432 | R | 88.3 | Confident | 89.9 | Confident | 109 Ų | 109 | 26.2 Ų | 26.2 | 41% | 0.411 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -65.3 | -41.8 | 176.2 | -165.4 | -171 | -50 | 105.3 | 6.1 | 112.7 | D1428 S1429 A1434 G1435 F1436 | D1428-R1432 VanDerWaalsContact O-CB 3.27Å; D1428-R1432 WeakPolarHBondContact O-CB 3.29Å; D1428-R1432 PolarHBondContact O-N 3.38Å; D1428-R1432 VanDerWaalsContact O-N 3.09Å; S1429-R1432 PolarHBondContact O-N 3.4Å; R1432-A1434 PolarHBondContact O-N 3.34Å; R1432-G1435 PolarHBondContact O-N 3.17Å; R1432-F1436 VanDerWaalsContact CA-O 3.28Å; R1432-F1436 WeakPolarHBondContact CA-O 3.5Å; R1432-F1436 PolarHBondContact N-O 3.02Å |
| 1433 | D | 85.8 | Confident | 90 | Very high | 94 Ų | 94 | 26.2 Ų | 26.2 | 50% | 0.503 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63.4 | -23.3 | 178.1 | -67.8 | -12.7 | 0 | 0 | 0 | 111.9 | S1429 | S1429-D1433 WeakPolarHBondContact O-CB 3.37Å; S1429-D1433 PolarHBondContact O-N 3.03Å |
| 1434 | A | 87.5 | Confident | 89.9 | Confident | 24 Ų | 24 | 25.6 Ų | 25.6 | 20% | 0.198 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -1.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1377 A1381 L1430 V1431 R1432 F1436 | L1377-A1434 HydrophobicContact CB-CB 3.62Å; A1381-A1434 VanDerWaalsContact CB-O 3.32Å; A1381-A1434 WeakPolarHBondContact CB-O 3.34Å; L1430-A1434 PolarHBondContact O-N 3.26Å; V1431-A1434 PolarHBondContact O-N 3.24Å; R1432-A1434 PolarHBondContact O-N 3.34Å; A1434-F1436 HydrophobicContact CB-CD2 4.08Å; A1434-F1436 HydrophobicContact CB-CE2 4.34Å |
| 1435 | G | 84.1 | Confident | 89.7 | Confident | 34 Ų | 34 | 29.9 Ų | 29.9 | 35% | 0.351 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | 7.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | R1432 N1457 | R1432-G1435 PolarHBondContact O-N 3.17Å; G1435-N1457 PolarHBondContact O-N 3.4Å |
| 1436 | F | 88.9 | Confident | 89.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 131.8 | 178.8 | -61.4 | -88.3 | 0 | 0 | 0 | 112 | A1381 I1384 L1390 V1431 R1432 A1434 A1454 D1455 L1456 | A1381-F1436 HydrophobicContact CB-CE2 3.73Å; A1381-F1436 HydrophobicContact CB-CZ 4.05Å; I1384-F1436 HydrophobicContact CD1-CE1 3.74Å; I1384-F1436 HydrophobicContact CD1-CZ 3.72Å; L1390-F1436 HydrophobicContact CB-CD1 3.71Å; L1390-F1436 HydrophobicContact CB-CE1 3.69Å; L1390-F1436 HydrophobicContact CB-CG 4.34Å; L1390-F1436 HydrophobicContact CB-CZ 4.32Å; L1390-F1436 HydrophobicContact CD2-CD1 4.19Å; L1390-F1436 HydrophobicContact CD2-CD2 3.94Å; L1390-F1436 HydrophobicContact CD2-CE1 4.3Å; L1390-F1436 HydrophobicContact CD2-CE2 4.04Å; L1390-F1436 HydrophobicContact CD2-CG 4.02Å; L1390-F1436 HydrophobicContact CD2-CZ 4.23Å; V1431-F1436 CarbonylContact C-O 3.52Å; V1431-F1436 HydrophobicContact CG1-CB 3.53Å; V1431-F1436 HydrophobicContact CG1-CG 4.42Å; V1431-F1436 PolarHBondContact O-N 3.5Å; V1431-F1436 VanDerWaalsContact O-N 3.16Å; R1432-F1436 VanDerWaalsContact CA-O 3.28Å; R1432-F1436 WeakPolarHBondContact CA-O 3.5Å; R1432-F1436 PolarHBondContact N-O 3.02Å; A1434-F1436 HydrophobicContact CB-CD2 4.08Å; A1434-F1436 HydrophobicContact CB-CE2 4.34Å; F1436-A1454 HydrophobicContact CB-CB 3.86Å; F1436-D1455 CarbonylContact C-O 3.55Å; F1436-D1455 VanDerWaalsContact CA-O 3.32Å; F1436-D1455 WeakPolarHBondContact CA-O 3.29Å; F1436-L1456 HydrophobicContact CD1-CB 3.8Å; F1436-L1456 HydrophobicContact CD1-CD1 3.94Å; F1436-L1456 HydrophobicContact CD1-CG 4.47Å; F1436-L1456 HydrophobicContact CD2-CD1 4.47Å; F1436-L1456 HydrophobicContact CE1-CB 3.68Å; F1436-L1456 HydrophobicContact CE1-CD1 3.74Å; F1436-L1456 HydrophobicContact CE1-CG 4.18Å; F1436-L1456 HydrophobicContact CE2-CD1 4.3Å; F1436-L1456 HydrophobicContact CG-CD1 4.29Å; F1436-L1456 HydrophobicContact CZ-CD1 3.92Å |
| 1437 | D | 82.6 | Confident | 89.4 | Confident | 67 Ų | 67 | 32 Ų | 32 | 36% | 0.358 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.1 | 176.1 | -83.8 | -33.2 | 0 | 0 | 0 | 112 | C1439 A1454 D1455 N1457 | D1437-C1439 PolarHBondContact O-N 3.26Å; D1437-C1439 VanDerWaalsContact O-N 3.14Å; D1437-C1439 PolarHBondContact O-SG 2.83Å; D1437-A1454 CarbonylContact O-C 3.6Å; D1437-A1454 WeakPolarHBondContact O-CA 3.42Å; D1437-A1454 WeakPolarHBondContact O-CB 3.17Å; D1437-D1455 PolarHBondContact N-O 2.85Å; D1437-D1455 PolarHBondContact O-N 3.03Å; D1437-N1457 PolarHBondContact OD2-ND2 2.86Å; D1437-N1457 PolarHBondContact OD2-OD1 3.21Å |
| 1438 | K | 90 | Very high | 89.4 | Confident | 43 Ų | 43 | 31.8 Ų | 31.8 | 19% | 0.187 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 110.8 | -178.2 | -173.9 | 177.8 | 74.2 | 178.9 | 0 | 111.9 | Y1002 Y1392 D1428 | Y1002-K1438 PolarHBondContact O-NZ 3.15Å; Y1392-K1438 WeakPolarHBondContact OH-CD 3.2Å; D1428-K1438 WeakPolarHBondContact OD1-CD 3.27Å; D1428-K1438 IonicContact OD1-NZ 2.75Å; D1428-K1438 PolarHBondContact OD1-NZ 3.04Å; D1428-K1438 VanDerWaalsContact OD1-NZ 3.15Å; D1428-K1438 WeakPolarHBondContact OD2-CE 3.19Å; D1428-K1438 IonicContact OD2-NZ 3.43Å; D1428-K1438 PolarHBondContact OD2-NZ 3.41Å |
| 1439 | C | 85 | Confident | 89.5 | Confident | 46 Ų | 46 | 31.7 Ų | 31.7 | 31% | 0.311 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -46.3 | 179.6 | -48.4 | 0 | 0 | 0 | 0 | 112.3 | D1437 M1453 D1455 | D1437-C1439 PolarHBondContact O-N 3.26Å; D1437-C1439 VanDerWaalsContact O-N 3.14Å; D1437-C1439 PolarHBondContact O-SG 2.83Å; C1439-M1453 HydrophobicContact CB-CE 4.39Å; C1439-M1453 PolarHBondContact N-O 2.63Å; C1439-D1455 PolarHBondContact SG-N 3.47Å; C1439-D1455 VanDerWaalsContact SG-N 3.44Å |
| 1440 | T | 89.8 | Confident | 89.7 | Confident | 25 Ų | 25 | 31 Ų | 31 | 15% | 0.153 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 163.9 | -174.3 | -168.5 | 0 | 0 | 0 | 0 | 112.6 | L1268 S1452 M1453 | L1268-T1440 HydrophobicContact CD2-CG2 3.89Å; T1440-S1452 WeakPolarHBondContact O-CA 3.33Å; T1440-M1453 HydrophobicContact CG2-CB 3.84Å; T1440-M1453 HydrophobicContact CG2-CE 3.71Å; T1440-M1453 HydrophobicContact CG2-SD 4.49Å; T1440-M1453 PolarHBondContact N-O 3Å; T1440-M1453 PolarHBondContact O-N 2.95Å |
| 1441 | Q | 93.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 152.8 | -178.9 | -175 | 179.1 | -51.4 | 0 | 0 | 112.2 | D1001 Y1002 V1451 S1452 | D1001-Q1441 PolarHBondContact O-NE2 3.01Å; Y1002-Q1441 HydrophobicContact CD1-CB 4.02Å; Y1002-Q1441 HydrophobicContact CD1-CG 4.41Å; Y1002-Q1441 HydrophobicContact CE1-CB 3.98Å; Y1002-Q1441 HydrophobicContact CE1-CG 4.38Å; Q1441-V1451 CarbonylContact C-O 3.57Å; Q1441-V1451 WeakPolarHBondContact CA-O 3.5Å; Q1441-S1452 WeakPolarHBondContact CG-OG 3.42Å; Q1441-S1452 PolarHBondContact OE1-OG 3.26Å |
| 1442 | R | 92.7 | Very high | 90 | Very high | 32 Ų | 32 | 30.7 Ų | 30.7 | 12% | 0.121 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 146.4 | 167.5 | -61.1 | -72.2 | -176.8 | -111.4 | -1.3 | 109.1 | R963 H1264 L1268 T1450 V1451 | R963-R1442 VanDerWaalsContact NH2-NH1 3.15Å; R963-R1442 VanDerWaalsContact NH2-NH2 3.14Å; H1264-R1442 HydrophobicContact CB-CB 3.99Å; L1268-R1442 HydrophobicContact CD1-CG 4.07Å; L1268-R1442 HydrophobicContact CD2-CG 4.28Å; L1268-R1442 HydrophobicContact CG-CG 4.16Å; R1442-T1450 CarbonylContact O-C 3.57Å; R1442-T1450 WeakPolarHBondContact O-CA 3.45Å; R1442-V1451 PolarHBondContact N-O 3.03Å; R1442-V1451 PolarHBondContact O-N 3.37Å |
| 1443 | I | 93.1 | Very high | 90.3 | Very high | 15 Ų | 15 | 25.6 Ų | 25.6 | 8% | 0.077 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 144.3 | 176.9 | -167.3 | 172.2 | 0 | 0 | 0 | 110.2 | D1001 Y1002 H1264 F1449 T1450 | D1001-I1443 HydrophobicContact CB-CD1 3.56Å; D1001-I1443 VanDerWaalsContact CG-CD1 3.49Å; Y1002-I1443 HydrophobicContact CE2-CG2 4.07Å; H1264-I1443 VanDerWaalsContact CE1-C 3.42Å; H1264-I1443 PolarHBondContact CE1-O 3.25Å; I1443-F1449 WeakPolarHBondContact CG1-O 3.28Å; I1443-T1450 HydrophobicContact CB-CG2 4.09Å; I1443-T1450 HydrophobicContact CD1-CG2 3.65Å; I1443-T1450 HydrophobicContact CG1-CG2 3.71Å |
| 1444 | D | 91.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.011 | 12% | 0.117 | C | C | . | . | trans | -69.5 | 165.9 | 175.3 | 74.4 | 98.9 | 0 | 0 | 0 | 112.9 | Q1260 W1446 G1447 I1448 F1449 | Q1260-D1444 HydrophobicContact CB-CB 4.04Å; Q1260-D1444 HydrophobicContact CG-CB 3.71Å; D1444-W1446 HydrophobicContact CB-CE3 4.37Å; D1444-W1446 PolarHBondContact O-N 3.44Å; D1444-W1446 VanDerWaalsContact OD1-CA 3.31Å; D1444-W1446 WeakPolarHBondContact OD1-CA 3.45Å; D1444-W1446 VanDerWaalsContact OD1-CB 3.28Å; D1444-W1446 WeakPolarHBondContact OD1-CB 3.2Å; D1444-W1446 PolarHBondContact OD1-N 2.84Å; D1444-G1447 PolarHBondContact O-N 3.19Å; D1444-G1447 PolarHBondContact OD1-N 3.44Å; D1444-G1447 VanDerWaalsContact OD1-N 3.15Å; D1444-I1448 PolarHBondContact OD1-N 3.11Å; D1444-I1448 WeakPolarHBondContact OD2-CA 3.32Å; D1444-I1448 PolarHBondContact OD2-N 2.63Å; D1444-F1449 PolarHBondContact N-O 2.97Å; D1444-F1449 PolarHBondContact OD2-N 2.95Å | ||
| 1445 | E | 88.4 | Confident | 90.7 | Very high | 91 Ų | 91 | 21.9 Ų | 21.9 | 43% | 0.425 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -21.8 | -175.1 | -57.6 | -168.2 | 139.5 | 0 | 0 | 114.3 | S957 A959 | S957-E1445 WeakPolarHBondContact CB-OE1 3.39Å; S957-E1445 PolarHBondContact OG-OE1 3.37Å; A959-E1445 HydrophobicContact CB-CB 4.47Å |
| 1446 | W | 90.1 | Very high | 90.8 | Very high | 53 Ų | 53 | 21.2 Ų | 21.2 | 20% | 0.201 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -9.6 | 177 | -51.3 | -70.5 | 0 | 0 | 0 | 112.1 | R1084 V1253 R1256 W1397 D1444 I1448 | R1084-W1446 PolarHBondContact NH1-O 3.47Å; V1253-W1446 HydrophobicContact CG2-CB 4.31Å; V1253-W1446 HydrophobicContact CG2-CD2 3.96Å; V1253-W1446 HydrophobicContact CG2-CG 3.75Å; R1256-W1446 HydrophobicContact CB-CH2 4.08Å; R1256-W1446 HydrophobicContact CB-CZ3 4.01Å; R1256-W1446 VanDerWaalsContact CZ-CZ2 3.42Å; W1397-W1446 HydrophobicContact CZ3-CB 4.45Å; W1397-W1446 WeakPolarHBondContact CZ3-O 3.26Å; D1444-W1446 HydrophobicContact CB-CE3 4.37Å; D1444-W1446 PolarHBondContact O-N 3.44Å; D1444-W1446 VanDerWaalsContact OD1-CA 3.31Å; D1444-W1446 WeakPolarHBondContact OD1-CA 3.45Å; D1444-W1446 VanDerWaalsContact OD1-CB 3.28Å; D1444-W1446 WeakPolarHBondContact OD1-CB 3.2Å; D1444-W1446 PolarHBondContact OD1-N 2.84Å; W1446-I1448 VanDerWaalsContact C-N 3.35Å; W1446-I1448 HydrophobicContact CB-CD1 3.85Å; W1446-I1448 HydrophobicContact CB-CG1 3.87Å |
| 1447 | G | 89 | Confident | 89.4 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 64.4 | 36.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1084 D1444 | R1084-G1447 VanDerWaalsContact NH1-N 3.18Å; D1444-G1447 PolarHBondContact O-N 3.19Å; D1444-G1447 PolarHBondContact OD1-N 3.44Å; D1444-G1447 VanDerWaalsContact OD1-N 3.15Å |
| 1448 | I | 91.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -87.7 | -48 | 178.9 | -63.1 | 174.3 | 0 | 0 | 0 | 110.5 | V1253 Q1395 P1396 W1397 P1399 D1444 W1446 | V1253-I1448 HydrophobicContact CG2-CD1 3.87Å; Q1395-I1448 VanDerWaalsContact CA-O 3.23Å; Q1395-I1448 WeakPolarHBondContact CA-O 3.43Å; Q1395-I1448 HydrophobicContact CG-CG2 4.18Å; Q1395-I1448 WeakPolarHBondContact CG-O 3.37Å; P1396-I1448 WeakPolarHBondContact CD-O 3.29Å; W1397-I1448 HydrophobicContact CE3-CG1 3.79Å; W1397-I1448 HydrophobicContact CZ3-CD1 4.43Å; W1397-I1448 HydrophobicContact CZ3-CG1 3.79Å; W1397-I1448 VanDerWaalsContact O-CA 3.29Å; W1397-I1448 WeakPolarHBondContact O-CA 3.46Å; P1399-I1448 HydrophobicContact CG-CD1 4.15Å; D1444-I1448 PolarHBondContact OD1-N 3.11Å; D1444-I1448 WeakPolarHBondContact OD2-CA 3.32Å; D1444-I1448 PolarHBondContact OD2-N 2.63Å; W1446-I1448 VanDerWaalsContact C-N 3.35Å; W1446-I1448 HydrophobicContact CB-CD1 3.85Å; W1446-I1448 HydrophobicContact CB-CG1 3.87Å | ||
| 1449 | F | 93.6 | Very high | 85.5 | Confident | 7 Ų | 7 | 30.6 Ų | 30.6 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | trans | -123 | 129.5 | -173.6 | -62.3 | -74.2 | 0 | 0 | 0 | 112 | G1257 I1258 R1261 G1394 Q1395 I1443 D1444 | G1257-F1449 VanDerWaalsContact C-CD2 3.46Å; I1258-F1449 HydrophobicContact CD1-CZ 4.14Å; I1258-F1449 HydrophobicContact CG1-CD2 4.5Å; I1258-F1449 HydrophobicContact CG1-CE1 4.39Å; I1258-F1449 HydrophobicContact CG1-CE2 3.6Å; I1258-F1449 HydrophobicContact CG1-CZ 3.53Å; R1261-F1449 HydrophobicContact CB-CB 4.09Å; R1261-F1449 HydrophobicContact CB-CG 4.35Å; R1261-F1449 HydrophobicContact CG-CB 4.24Å; G1394-F1449 CarbonylContact O-C 3.06Å; G1394-F1449 VanDerWaalsContact O-CA 3.3Å; G1394-F1449 WeakPolarHBondContact O-CA 3.42Å; Q1395-F1449 HydrophobicContact CB-CD1 4.21Å; Q1395-F1449 HydrophobicContact CB-CE1 4.29Å; Q1395-F1449 HydrophobicContact CG-CD1 4.1Å; Q1395-F1449 HydrophobicContact CG-CE1 3.93Å; I1443-F1449 WeakPolarHBondContact CG1-O 3.28Å; D1444-F1449 PolarHBondContact N-O 2.97Å; D1444-F1449 PolarHBondContact OD2-N 2.95Å | ||
| 1450 | T | 94.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 147.7 | 169.5 | 56.9 | 0 | 0 | 0 | 0 | 110.1 | T1393 G1394 P1396 Q1424 R1442 I1443 | T1393-T1450 WeakPolarHBondContact CA-O 3.4Å; T1393-T1450 WeakPolarHBondContact CB-O 3.4Å; G1394-T1450 WeakPolarHBondContact CA-OG1 3.12Å; G1394-T1450 PolarHBondContact N-O 3.11Å; G1394-T1450 PolarHBondContact N-OG1 3.4Å; G1394-T1450 PolarHBondContact O-N 3.42Å; G1394-T1450 PolarHBondContact O-OG1 3.08Å; P1396-T1450 HydrophobicContact CG-CG2 3.91Å; Q1424-T1450 PolarHBondContact OE1-OG1 3.35Å; R1442-T1450 CarbonylContact O-C 3.57Å; R1442-T1450 WeakPolarHBondContact O-CA 3.45Å; I1443-T1450 HydrophobicContact CB-CG2 4.09Å; I1443-T1450 HydrophobicContact CD1-CG2 3.65Å; I1443-T1450 HydrophobicContact CG1-CG2 3.71Å |
| 1451 | V | 95.7 | Very high | 81.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 119.3 | 168 | -168.6 | 0 | 0 | 0 | 0 | 106.8 | R1261 H1264 L1265 L1268 I1391 T1393 Q1441 R1442 | R1261-V1451 HydrophobicContact CG-CG2 3.94Å; H1264-V1451 HydrophobicContact CB-CB 4.06Å; H1264-V1451 HydrophobicContact CB-CG2 3.57Å; L1265-V1451 HydrophobicContact CD2-CG1 3.59Å; L1265-V1451 HydrophobicContact CG-CG1 3.9Å; L1265-V1451 HydrophobicContact CG-CG2 4.22Å; L1268-V1451 HydrophobicContact CD1-CB 4.01Å; L1268-V1451 HydrophobicContact CD1-CG1 3.71Å; L1268-V1451 VanDerWaalsContact CD1-O 3.28Å; L1268-V1451 WeakPolarHBondContact CD1-O 3.44Å; I1391-V1451 HydrophobicContact CG2-CG1 3.95Å; T1393-V1451 HydrophobicContact CG2-CG1 4.26Å; T1393-V1451 HydrophobicContact CG2-CG2 4.12Å; Q1441-V1451 CarbonylContact C-O 3.57Å; Q1441-V1451 WeakPolarHBondContact CA-O 3.5Å; R1442-V1451 PolarHBondContact N-O 3.03Å; R1442-V1451 PolarHBondContact O-N 3.37Å |
| 1452 | S | 95.5 | Very high | 79.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 151.7 | -172.6 | -59 | 0 | 0 | 0 | 0 | 110.1 | I1391 Y1392 T1440 Q1441 | I1391-S1452 WeakPolarHBondContact CA-O 3.41Å; Y1392-S1452 VanDerWaalsContact CE1-CB 3.45Å; Y1392-S1452 PolarHBondContact N-O 3.25Å; Y1392-S1452 PolarHBondContact O-N 2.91Å; T1440-S1452 WeakPolarHBondContact O-CA 3.33Å; Q1441-S1452 WeakPolarHBondContact CG-OG 3.42Å; Q1441-S1452 PolarHBondContact OE1-OG 3.26Å |
| 1453 | M | 94.9 | Very high | 78.3 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.9 | 175.9 | -172.5 | 176.5 | 80.7 | 0 | 0 | 108.4 | A1272 D1275 I1389 L1390 I1391 C1439 T1440 | A1272-M1453 HydrophobicContact CB-SD 3.85Å; D1275-M1453 WeakPolarHBondContact OD2-CE 3.15Å; I1389-M1453 HydrophobicContact CG2-CG 3.36Å; I1389-M1453 HydrophobicContact CG2-SD 3.94Å; L1390-M1453 CarbonylContact O-C 3.54Å; L1390-M1453 WeakPolarHBondContact O-CA 3.17Å; I1391-M1453 HydrophobicContact CG1-CG 4.22Å; C1439-M1453 HydrophobicContact CB-CE 4.39Å; C1439-M1453 PolarHBondContact N-O 2.63Å; T1440-M1453 HydrophobicContact CG2-CB 3.84Å; T1440-M1453 HydrophobicContact CG2-CE 3.71Å; T1440-M1453 HydrophobicContact CG2-SD 4.49Å; T1440-M1453 PolarHBondContact N-O 3Å; T1440-M1453 PolarHBondContact O-N 2.95Å |
| 1454 | A | 93 | Very high | 77.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 138 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1390 Y1392 V1431 F1436 D1437 | L1390-A1454 PolarHBondContact N-O 2.96Å; L1390-A1454 PolarHBondContact O-N 2.99Å; Y1392-A1454 HydrophobicContact CE1-CB 4.08Å; V1431-A1454 HydrophobicContact CG1-CB 3.87Å; F1436-A1454 HydrophobicContact CB-CB 3.86Å; D1437-A1454 CarbonylContact O-C 3.6Å; D1437-A1454 WeakPolarHBondContact O-CA 3.42Å; D1437-A1454 WeakPolarHBondContact O-CB 3.17Å |
| 1455 | D | 87.2 | Confident | 76.1 | Confident | 39 Ų | 39 | 44.8 Ų | 44.8 | 21% | 0.209 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 137.4 | 178.7 | -79 | -2.5 | 0 | 0 | 0 | 109.8 | K1279 I1389 F1436 D1437 C1439 N1457 | K1279-D1455 VanDerWaalsContact NZ-CG 3.31Å; K1279-D1455 IonicContact NZ-OD1 3.34Å; K1279-D1455 PolarHBondContact NZ-OD1 3.45Å; K1279-D1455 IonicContact NZ-OD2 3.35Å; K1279-D1455 PolarHBondContact NZ-OD2 3.07Å; I1389-D1455 WeakPolarHBondContact CG1-OD1 3.49Å; F1436-D1455 CarbonylContact C-O 3.55Å; F1436-D1455 VanDerWaalsContact CA-O 3.32Å; F1436-D1455 WeakPolarHBondContact CA-O 3.29Å; D1437-D1455 PolarHBondContact N-O 2.85Å; D1437-D1455 PolarHBondContact O-N 3.03Å; C1439-D1455 PolarHBondContact SG-N 3.47Å; C1439-D1455 VanDerWaalsContact SG-N 3.44Å; D1455-N1457 PolarHBondContact O-N 3.35Å |
| 1456 | L | 85.8 | Confident | 75.4 | Confident | 21 Ų | 21 | 42.8 Ų | 42.8 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 111.7 | 169.4 | -174.6 | 66.1 | 0 | 0 | 0 | 108.2 | A1381 I1384 G1387 G1388 F1436 S1458 | A1381-L1456 HydrophobicContact CB-CD1 4.33Å; I1384-L1456 HydrophobicContact CB-CD2 4.15Å; I1384-L1456 HydrophobicContact CG2-CD2 4.08Å; G1387-L1456 PolarHBondContact N-O 2.77Å; G1388-L1456 PolarHBondContact O-N 3.44Å; F1436-L1456 HydrophobicContact CD1-CB 3.8Å; F1436-L1456 HydrophobicContact CD1-CD1 3.94Å; F1436-L1456 HydrophobicContact CD1-CG 4.47Å; F1436-L1456 HydrophobicContact CD2-CD1 4.47Å; F1436-L1456 HydrophobicContact CE1-CB 3.68Å; F1436-L1456 HydrophobicContact CE1-CD1 3.74Å; F1436-L1456 HydrophobicContact CE1-CG 4.18Å; F1436-L1456 HydrophobicContact CE2-CD1 4.3Å; F1436-L1456 HydrophobicContact CG-CD1 4.29Å; F1436-L1456 HydrophobicContact CZ-CD1 3.92Å; L1456-S1458 PolarHBondContact O-N 3Å |
| 1457 | N | 61 | Low | 74.2 | Confident | 84 Ų | 84 | 43.6 Ų | 43.6 | 45% | 0.449 | 25% | 0.253 | S | S | . | . | trans | -57.3 | 111.9 | -179.7 | -78.6 | -25.8 | 0 | 0 | 0 | 110.8 | G1435 D1437 D1455 H1459 | G1435-N1457 PolarHBondContact O-N 3.4Å; D1437-N1457 PolarHBondContact OD2-ND2 2.86Å; D1437-N1457 PolarHBondContact OD2-OD1 3.21Å; D1455-N1457 PolarHBondContact O-N 3.35Å; N1457-H1459 PolarHBondContact O-N 3.48Å; N1457-H1459 VanDerWaalsContact O-N 3.1Å | ||
| 1458 | S | 46 | Very low | 74 | Confident | 57 Ų | 57 | 49.7 Ų | 49.7 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -75.1 | 14.8 | 174.8 | 51.5 | 0 | 0 | 0 | 0 | 114 | L1456 | L1456-S1458 PolarHBondContact O-N 3Š|
| 1459 | H | 44.1 | Very low | 73.5 | Confident | 166 Ų | 166 | 49.8 Ų | 49.8 | 77% | 0.769 | 28% | 0.276 | S | S | * | . | trans | -138.3 | 58.3 | -170.4 | -61.2 | -56.6 | 0 | 0 | 0 | 111.8 | N1457 | N1457-H1459 PolarHBondContact O-N 3.48Å; N1457-H1459 VanDerWaalsContact O-N 3.1Å | ||
| 1460 | D | 47.1 | Very low | 72.8 | Confident | 122 Ų | 122 | 54.3 Ų | 54.3 | 65% | 0.652 | 30% | 0.304 | S | S | * | . | trans | -103 | 108.5 | 166.3 | -138.4 | 13.2 | 0 | 0 | 0 | 109.4 | K1526 | D1460-K1526 IonicContact OD1-NZ 3.91Å; D1460-K1526 PolarHBondContact OD1-NZ 3.34Å; D1460-K1526 IonicContact OD2-NZ 2.75Å; D1460-K1526 PolarHBondContact OD2-NZ 3.27Å | ||
| 1461 | I | 50.9 | Low | 72.4 | Confident | 53 Ų | 53 | 58.3 Ų | 58.3 | 27% | 0.272 | 34% | 0.337 | S | S | . | . | trans | -60.3 | 125.1 | 175.9 | -62.2 | 173.5 | 0 | 0 | 0 | 107.7 | P1524 L1525 K1526 Y1552 | I1461-P1524 HydrophobicContact CG2-CB 3.92Å; I1461-P1524 WeakPolarHBondContact CG2-O 3.48Å; I1461-L1525 VanDerWaalsContact CG2-C 3.47Å; I1461-K1526 HydrophobicContact CB-CB 4.41Å; I1461-K1526 HydrophobicContact CG2-CB 4.27Å; I1461-K1526 WeakPolarHBondContact O-CD 3.39Å; I1461-K1526 WeakPolarHBondContact O-CE 3.48Å; I1461-K1526 VanDerWaalsContact O-CG 3.26Å; I1461-K1526 WeakPolarHBondContact O-CG 3.44Å; I1461-Y1552 HydrophobicContact CD1-CD1 3.88Å; I1461-Y1552 HydrophobicContact CD1-CG 4.18Å | ||
| 1462 | P | 50.4 | Low | 71.9 | Confident | 69 Ų | 69 | 59.8 Ų | 59.8 | 45% | 0.448 | 35% | 0.345 | S | S | . | . | trans | -64.5 | 162.5 | -175.7 | 21.5 | -30.3 | 0 | 0 | 0 | 113.3 | P1524 L1525 K1526 | P1462-P1524 WeakPolarHBondContact CD-O 3.37Å; P1462-P1524 WeakPolarHBondContact CG-O 3.24Å; P1462-L1525 HydrophobicContact CB-CD2 4.29Å; P1462-L1525 HydrophobicContact CG-CD2 4.19Å; P1462-L1525 CarbonylContact O-C 3.59Å; P1462-L1525 WeakPolarHBondContact O-CA 3.26Å; P1462-L1525 VanDerWaalsContact O-CD2 3.32Å; P1462-L1525 WeakPolarHBondContact O-CD2 3.48Å; P1462-K1526 PolarHBondContact O-N 3.17Å | ||
| 1463 | S | 60.8 | Low | 71.5 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 39% | 0.392 | 37% | 0.368 | S | S | . | . | trans | -127.8 | 133.3 | 170.4 | 64.1 | 0 | 0 | 0 | 0 | 110 | K1526 | S1463-K1526 VanDerWaalsContact CB-O 3.3Å; S1463-K1526 WeakPolarHBondContact CB-O 3.19Å | ||
| 1464 | Q | 67.2 | Low | 71.2 | Confident | 72 Ų | 72 | 64.7 Ų | 64.7 | 34% | 0.336 | 37% | 0.374 | S | S | . | . | trans | -117.5 | 113.4 | -178.6 | -168.5 | 172.6 | 32.1 | 0 | 0 | 111 | Y1523 L1525 I1602 | Q1464-Y1523 PolarHBondContact OE1-OH 3.01Å; Q1464-L1525 HydrophobicContact CB-CD1 4.38Å; Q1464-L1525 HydrophobicContact CB-CD2 4.29Å; Q1464-I1602 HydrophobicContact CG-CD1 4.48Å | ||
| 1465 | V | 70.8 | Confident | 71.1 | Confident | 48 Ų | 48 | 67.6 Ų | 67.6 | 29% | 0.291 | 39% | 0.389 | S | S | . | . | trans | -140.2 | 137.1 | -169.3 | -172.6 | 0 | 0 | 0 | 0 | 110.8 | E1469 S1528 F1529 H1600 | V1465-E1469 HydrophobicContact CG1-CB 4.14Å; V1465-S1528 WeakPolarHBondContact CG2-OG 3.22Å; V1465-F1529 HydrophobicContact CG1-CE1 4.13Å; V1465-F1529 HydrophobicContact CG1-CE2 4.35Å; V1465-F1529 HydrophobicContact CG1-CZ 3.62Å; V1465-H1600 WeakPolarHBondContact CG2-CE1 3.5Å; V1465-H1600 WeakPolarHBondContact CG2-ND1 3.31Å; V1465-H1600 WeakPolarHBondContact CG2-NE2 3.47Å | ||
| 1466 | F | 73.3 | Confident | 71 | Confident | 49 Ų | 49 | 67.7 Ų | 67.7 | 22% | 0.215 | 39% | 0.392 | C | S | . | . | trans | -83.9 | 136.4 | 171.3 | -57.2 | -75.8 | 0 | 0 | 0 | 110.8 | W1468 E1469 F1601 I1602 W1660 | F1466-W1468 HydrophobicContact CB-CD2 4.47Å; F1466-W1468 HydrophobicContact CB-CG 4.39Å; F1466-W1468 HydrophobicContact CB-CZ2 4.34Å; F1466-W1468 HydrophobicContact CD2-CZ2 4.24Å; F1466-W1468 AromaticContact CG-NE1 3.8Å; F1466-W1468 PolarHBondContact O-N 3.38Å; F1466-E1469 HydrophobicContact CB-CG 4.17Å; F1466-E1469 WeakPolarHBondContact CD2-OE1 3.36Å; F1466-E1469 PolarHBondContact N-OE1 2.74Å; F1466-E1469 VanDerWaalsContact O-CB 3.32Å; F1466-E1469 WeakPolarHBondContact O-CB 3.36Å; F1466-E1469 WeakPolarHBondContact O-CG 3.37Å; F1466-E1469 PolarHBondContact O-N 2.63Å; F1466-F1601 HydrophobicContact CD2-CB 4.18Å; F1466-F1601 HydrophobicContact CD2-CD1 4.07Å; F1466-F1601 HydrophobicContact CE2-CB 4.48Å; F1466-F1601 AromaticContact CE2-CD1 3.94Å; F1466-F1601 HydrophobicContact CE2-CD1 3.94Å; F1466-I1602 HydrophobicContact CE2-CB 4.09Å; F1466-W1660 HydrophobicContact CD1-CE3 4.49Å; F1466-W1660 HydrophobicContact CE1-CE3 4.1Å | ||
| 1467 | G | 66.6 | Low | 71.2 | Confident | 70 Ų | 70 | 73.5 Ų | 73.5 | 72% | 0.722 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -58.1 | -21.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | T1470 | G1467-T1470 PolarHBondContact O-OG1 3.21Å; G1467-T1470 VanDerWaalsContact O-OG1 3.04Å |
| 1468 | W | 83.4 | Confident | 72.7 | Confident | 128 Ų | 128 | 69.7 Ų | 69.7 | 49% | 0.485 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -80.6 | -14.5 | 176.2 | 60.9 | -97.7 | 0 | 0 | 0 | 113.9 | F1466 T1470 A1471 I1472 F1601 | F1466-W1468 HydrophobicContact CB-CD2 4.47Å; F1466-W1468 HydrophobicContact CB-CG 4.39Å; F1466-W1468 HydrophobicContact CB-CZ2 4.34Å; F1466-W1468 HydrophobicContact CD2-CZ2 4.24Å; F1466-W1468 AromaticContact CG-NE1 3.8Å; F1466-W1468 PolarHBondContact O-N 3.38Å; W1468-T1470 PolarHBondContact O-N 3.05Å; W1468-A1471 WeakPolarHBondContact O-CB 3.38Å; W1468-A1471 PolarHBondContact O-N 2.75Å; W1468-A1471 VanDerWaalsContact O-N 3.09Å; W1468-I1472 HydrophobicContact CZ3-CD1 4.02Å; W1468-I1472 HydrophobicContact CZ3-CG1 4.48Å; W1468-F1601 HydrophobicContact CH2-CB 3.76Å; W1468-F1601 AromaticContact CH2-CD1 3.78Å; W1468-F1601 HydrophobicContact CH2-CD1 3.78Å; W1468-F1601 AromaticContact CH2-CD2 3.65Å; W1468-F1601 HydrophobicContact CH2-CD2 3.65Å; W1468-F1601 HydrophobicContact CH2-CE1 4.2Å; W1468-F1601 HydrophobicContact CH2-CE2 4.12Å; W1468-F1601 AromaticContact CH2-CG 3.45Å; W1468-F1601 HydrophobicContact CH2-CG 3.45Å; W1468-F1601 VanDerWaalsContact CH2-CG 3.45Å; W1468-F1601 HydrophobicContact CH2-CZ 4.36Å; W1468-F1601 HydrophobicContact CZ2-CB 4Å; W1468-F1601 AromaticContact CZ2-CD1 3.5Å; W1468-F1601 HydrophobicContact CZ2-CD1 3.5Å; W1468-F1601 HydrophobicContact CZ2-CD2 4.27Å; W1468-F1601 AromaticContact CZ2-CE1 3.92Å; W1468-F1601 HydrophobicContact CZ2-CE1 3.92Å; W1468-F1601 AromaticContact CZ2-CG 3.67Å; W1468-F1601 HydrophobicContact CZ2-CG 3.67Å; W1468-F1601 HydrophobicContact CZ2-CZ 4.48Å |
| 1469 | E | 82.9 | Confident | 74.8 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.009 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -65 | -23.5 | -178.8 | -71 | -179 | -125 | 0 | 0 | 112.7 | V1465 F1466 A1471 I1472 F1529 H1600 F1601 | V1465-E1469 HydrophobicContact CG1-CB 4.14Å; F1466-E1469 HydrophobicContact CB-CG 4.17Å; F1466-E1469 WeakPolarHBondContact CD2-OE1 3.36Å; F1466-E1469 PolarHBondContact N-OE1 2.74Å; F1466-E1469 VanDerWaalsContact O-CB 3.32Å; F1466-E1469 WeakPolarHBondContact O-CB 3.36Å; F1466-E1469 WeakPolarHBondContact O-CG 3.37Å; F1466-E1469 PolarHBondContact O-N 2.63Å; E1469-A1471 PolarHBondContact O-N 3.15Å; E1469-A1471 VanDerWaalsContact O-N 3.12Å; E1469-I1472 HydrophobicContact CB-CD1 4.32Å; E1469-I1472 HydrophobicContact CG-CD1 4.38Å; E1469-I1472 WeakPolarHBondContact O-CB 3.28Å; E1469-I1472 WeakPolarHBondContact O-CG1 3.11Å; E1469-I1472 PolarHBondContact O-N 2.82Å; E1469-F1529 HydrophobicContact CB-CE2 4.08Å; E1469-F1529 HydrophobicContact CB-CZ 3.92Å; E1469-H1600 VanDerWaalsContact OE2-CA 3.28Å; E1469-H1600 WeakPolarHBondContact OE2-CA 3.26Å; E1469-H1600 WeakPolarHBondContact OE2-CB 3.28Å; E1469-H1600 IonicContact OE2-CG 3.42Å; E1469-H1600 IonicContact OE2-ND1 3.25Å; E1469-H1600 PolarHBondContact OE2-ND1 2.79Å; E1469-H1600 VanDerWaalsContact OE2-ND1 3.08Å; E1469-F1601 HydrophobicContact CG-CB 4.15Å; E1469-F1601 PolarHBondContact OE2-N 3Å |
| 1470 | T | 78.4 | Confident | 76.9 | Confident | 101 Ų | 101 | 62.8 Ų | 62.8 | 62% | 0.62 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -61.3 | -17.4 | 173.2 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | G1467 W1468 I1472 F1529 | G1467-T1470 PolarHBondContact O-OG1 3.21Å; G1467-T1470 VanDerWaalsContact O-OG1 3.04Å; W1468-T1470 PolarHBondContact O-N 3.05Å; T1470-I1472 VanDerWaalsContact C-N 3.34Å; T1470-F1529 HydrophobicContact CG2-CE1 3.76Å; T1470-F1529 HydrophobicContact CG2-CZ 4.01Å |
| 1471 | A | 85.5 | Confident | 79.1 | Confident | 84 Ų | 84 | 57.1 Ų | 57.1 | 69% | 0.694 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -82.2 | -8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | W1468 E1469 P1473 | W1468-A1471 WeakPolarHBondContact O-CB 3.38Å; W1468-A1471 PolarHBondContact O-N 2.75Å; W1468-A1471 VanDerWaalsContact O-N 3.09Å; E1469-A1471 PolarHBondContact O-N 3.15Å; E1469-A1471 VanDerWaalsContact O-N 3.12Å; A1471-P1473 WeakPolarHBondContact O-CD 3.24Å |
| 1472 | I | 85.6 | Confident | 80.9 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 16% | 0.159 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -77.5 | 118.2 | 177.8 | -58.4 | 172.4 | 0 | 0 | 0 | 108.9 | W1468 E1469 T1470 L1594 T1595 W1597 | W1468-I1472 HydrophobicContact CZ3-CD1 4.02Å; W1468-I1472 HydrophobicContact CZ3-CG1 4.48Å; E1469-I1472 HydrophobicContact CB-CD1 4.32Å; E1469-I1472 HydrophobicContact CG-CD1 4.38Å; E1469-I1472 WeakPolarHBondContact O-CB 3.28Å; E1469-I1472 WeakPolarHBondContact O-CG1 3.11Å; E1469-I1472 PolarHBondContact O-N 2.82Å; T1470-I1472 VanDerWaalsContact C-N 3.34Å; I1472-L1594 HydrophobicContact CD1-CB 4.44Å; I1472-L1594 HydrophobicContact CD1-CD1 4.5Å; I1472-L1594 HydrophobicContact CG2-CB 4.37Å; I1472-T1595 HydrophobicContact CG2-CG2 4.33Å; I1472-W1597 PolarHBondContact O-NE1 3.26Å; I1472-W1597 VanDerWaalsContact O-NE1 3.07Å |
| 1473 | P | 87.4 | Confident | 82.7 | Confident | 76 Ų | 76 | 54.4 Ų | 54.4 | 49% | 0.494 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 138.9 | -176.9 | 29.1 | -34.7 | 0 | 0 | 0 | 111.8 | A1471 L1475 | A1471-P1473 WeakPolarHBondContact O-CD 3.24Å; P1473-L1475 HydrophobicContact CB-CD2 4.43Å; P1473-L1475 HydrophobicContact CG-CG 4.43Å; P1473-L1475 PolarHBondContact O-N 3.09Å |
| 1474 | F | 88.3 | Confident | 84.1 | Confident | 31 Ų | 31 | 52.4 Ų | 52.4 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 118.9 | 167.2 | -179.3 | -109.7 | 0 | 0 | 0 | 110.3 | P1476 R1531 P1532 V1534 F1542 T1595 T1596 W1597 | F1474-P1476 HydrophobicContact CD1-CG 4Å; F1474-P1476 HydrophobicContact CE1-CB 4.28Å; F1474-P1476 HydrophobicContact CE1-CG 3.63Å; F1474-P1476 HydrophobicContact CZ-CG 4.38Å; F1474-R1531 HydrophobicContact CD2-CG 4.46Å; F1474-R1531 HydrophobicContact CE1-CG 4.31Å; F1474-R1531 HydrophobicContact CE2-CG 3.61Å; F1474-R1531 HydrophobicContact CZ-CG 3.51Å; F1474-P1532 HydrophobicContact CB-CG 4.43Å; F1474-P1532 HydrophobicContact CD1-CB 4.29Å; F1474-P1532 HydrophobicContact CD1-CG 3.65Å; F1474-P1532 HydrophobicContact CE1-CB 4.33Å; F1474-P1532 HydrophobicContact CE1-CG 4.07Å; F1474-P1532 HydrophobicContact CG-CG 4.12Å; F1474-V1534 HydrophobicContact CE1-CG2 3.49Å; F1474-V1534 VanDerWaalsContact CE1-CG2 3.49Å; F1474-V1534 HydrophobicContact CZ-CG2 3.7Å; F1474-F1542 HydrophobicContact CE2-CE1 4.49Å; F1474-F1542 HydrophobicContact CE2-CE2 4.37Å; F1474-F1542 AromaticContact CE2-CZ 3.83Å; F1474-F1542 HydrophobicContact CE2-CZ 3.83Å; F1474-F1542 AromaticContact CZ-CE2 3.82Å; F1474-F1542 HydrophobicContact CZ-CE2 3.82Å; F1474-F1542 AromaticContact CZ-CZ 3.74Å; F1474-F1542 HydrophobicContact CZ-CZ 3.74Å; F1474-T1595 CarbonylContact C-O 3.49Å; F1474-T1595 WeakPolarHBondContact CA-O 3.43Å; F1474-T1596 WeakPolarHBondContact CE2-O 3.34Å; F1474-W1597 HydrophobicContact CB-CD2 3.98Å; F1474-W1597 HydrophobicContact CB-CE3 4.3Å; F1474-W1597 HydrophobicContact CB-CH2 4.1Å; F1474-W1597 HydrophobicContact CB-CZ2 3.77Å; F1474-W1597 HydrophobicContact CB-CZ3 4.36Å; F1474-W1597 HydrophobicContact CD2-CB 4.47Å; F1474-W1597 HydrophobicContact CD2-CD2 4.03Å; F1474-W1597 HydrophobicContact CD2-CE3 4.26Å; F1474-W1597 HydrophobicContact CD2-CG 4.12Å; F1474-W1597 HydrophobicContact CG-CD2 4.37Å; F1474-W1597 HydrophobicContact CG-CE3 4.48Å |
| 1475 | L | 89.9 | Confident | 85.2 | Confident | 61 Ų | 61 | 49 Ų | 49 | 32% | 0.319 | 28% | 0.277 | S | S | . | . | trans | -120.5 | 92.5 | -177.7 | -62.2 | 178 | 0 | 0 | 0 | 110.4 | P1473 W1477 T1478 T1595 | P1473-L1475 HydrophobicContact CB-CD2 4.43Å; P1473-L1475 HydrophobicContact CG-CG 4.43Å; P1473-L1475 PolarHBondContact O-N 3.09Å; L1475-W1477 VanDerWaalsContact C-N 3.29Å; L1475-W1477 PolarHBondContact O-N 3.22Å; L1475-W1477 VanDerWaalsContact O-N 3.09Å; L1475-T1478 HydrophobicContact CB-CG2 3.76Å; L1475-T1478 HydrophobicContact CD1-CG2 4.31Å; L1475-T1478 WeakPolarHBondContact O-CB 3.2Å; L1475-T1478 PolarHBondContact O-N 3.25Å; L1475-T1478 PolarHBondContact O-OG1 3.12Å; L1475-T1595 HydrophobicContact CD1-CG2 4.11Å; L1475-T1595 PolarHBondContact N-O 2.9Å | ||
| 1476 | P | 85.5 | Confident | 85.8 | Confident | 41 Ų | 41 | 49.8 Ų | 49.8 | 27% | 0.266 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -55.9 | -35.1 | -169.7 | -23.7 | 26.8 | 0 | 0 | 0 | 115.6 | F1474 T1478 I1479 V1534 F1542 | F1474-P1476 HydrophobicContact CD1-CG 4Å; F1474-P1476 HydrophobicContact CE1-CB 4.28Å; F1474-P1476 HydrophobicContact CE1-CG 3.63Å; F1474-P1476 HydrophobicContact CZ-CG 4.38Å; P1476-T1478 PolarHBondContact O-N 2.98Å; P1476-I1479 WeakPolarHBondContact O-CB 3.48Å; P1476-I1479 WeakPolarHBondContact O-CG2 3.33Å; P1476-I1479 PolarHBondContact O-N 3.09Å; P1476-V1534 HydrophobicContact CB-CG1 3.76Å; P1476-V1534 HydrophobicContact CB-CG2 4.22Å; P1476-V1534 HydrophobicContact CG-CG1 4.3Å; P1476-V1534 HydrophobicContact CG-CG2 4.23Å; P1476-F1542 HydrophobicContact CB-CE2 4.38Å |
| 1477 | W | 90.8 | Very high | 86.2 | Confident | 142 Ų | 142 | 52.9 Ų | 52.9 | 54% | 0.538 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -66.7 | -20.3 | -179.1 | 70.7 | -93.6 | 0 | 0 | 0 | 113.2 | L1475 I1479 V1480 L1588 | L1475-W1477 VanDerWaalsContact C-N 3.29Å; L1475-W1477 PolarHBondContact O-N 3.22Å; L1475-W1477 VanDerWaalsContact O-N 3.09Å; W1477-I1479 PolarHBondContact O-N 2.95Å; W1477-I1479 VanDerWaalsContact O-N 3.15Å; W1477-V1480 PolarHBondContact O-N 2.96Å; W1477-V1480 VanDerWaalsContact O-N 3.17Å; W1477-L1588 HydrophobicContact CH2-CD1 4.34Å |
| 1478 | T | 92.8 | Very high | 87.3 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -69.2 | -7.1 | 177.7 | 64 | 0 | 0 | 0 | 0 | 112.9 | L1475 P1476 V1480 P1481 Y1482 S1592 T1595 T1596 | L1475-T1478 HydrophobicContact CB-CG2 3.76Å; L1475-T1478 HydrophobicContact CD1-CG2 4.31Å; L1475-T1478 WeakPolarHBondContact O-CB 3.2Å; L1475-T1478 PolarHBondContact O-N 3.25Å; L1475-T1478 PolarHBondContact O-OG1 3.12Å; P1476-T1478 PolarHBondContact O-N 2.98Å; T1478-V1480 PolarHBondContact O-N 3.27Å; T1478-P1481 WeakPolarHBondContact O-CD 3.46Å; T1478-P1481 WeakPolarHBondContact O-CG 3.42Å; T1478-Y1482 PolarHBondContact O-N 3.2Å; T1478-S1592 VanDerWaalsContact O-CB 3.24Å; T1478-S1592 WeakPolarHBondContact O-CB 3.36Å; T1478-T1595 WeakPolarHBondContact CB-OG1 3.4Å; T1478-T1595 WeakPolarHBondContact CG2-OG1 3.32Å; T1478-T1595 PolarHBondContact OG1-OG1 2.92Å; T1478-T1596 WeakPolarHBondContact OG1-CG2 3.45Å |
| 1479 | I | 89.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60 | -27.1 | 167.7 | -162.6 | 57.2 | 0 | 0 | 0 | 113 | P1476 W1477 Y1482 W1483 T1538 L1541 F1542 L1545 T1596 | P1476-I1479 WeakPolarHBondContact O-CB 3.48Å; P1476-I1479 WeakPolarHBondContact O-CG2 3.33Å; P1476-I1479 PolarHBondContact O-N 3.09Å; W1477-I1479 PolarHBondContact O-N 2.95Å; W1477-I1479 VanDerWaalsContact O-N 3.15Å; I1479-Y1482 HydrophobicContact CD1-CD1 4.11Å; I1479-Y1482 HydrophobicContact CD1-CG 4.42Å; I1479-Y1482 WeakPolarHBondContact O-CB 3.42Å; I1479-Y1482 PolarHBondContact O-N 2.83Å; I1479-W1483 WeakPolarHBondContact O-CB 3.42Å; I1479-W1483 PolarHBondContact O-N 3.27Å; I1479-T1538 HydrophobicContact CG2-CG2 3.97Å; I1479-L1541 HydrophobicContact CG1-CB 3.95Å; I1479-L1541 HydrophobicContact CG2-CB 4.15Å; I1479-L1541 HydrophobicContact CG2-CD1 3.86Å; I1479-F1542 HydrophobicContact CB-CE1 4.44Å; I1479-F1542 HydrophobicContact CB-CE2 4.1Å; I1479-F1542 HydrophobicContact CB-CZ 4.04Å; I1479-F1542 HydrophobicContact CD1-CD1 3.72Å; I1479-F1542 HydrophobicContact CD1-CE1 3.53Å; I1479-F1542 HydrophobicContact CD1-CG 4.38Å; I1479-F1542 HydrophobicContact CD1-CZ 4Å; I1479-F1542 HydrophobicContact CG1-CD1 4.16Å; I1479-F1542 HydrophobicContact CG1-CD2 4.41Å; I1479-F1542 HydrophobicContact CG1-CE1 4.11Å; I1479-F1542 HydrophobicContact CG1-CE2 4.31Å; I1479-F1542 HydrophobicContact CG1-CG 4.35Å; I1479-F1542 HydrophobicContact CG1-CZ 4.18Å; I1479-L1545 HydrophobicContact CD1-CD2 3.66Å; I1479-T1596 HydrophobicContact CB-CG2 4.39Å; I1479-T1596 HydrophobicContact CD1-CG2 4.3Å |
| 1480 | V | 88.2 | Confident | 87.3 | Confident | 79 Ų | 79 | 50.7 Ų | 50.7 | 48% | 0.479 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.4 | -53.8 | 179.2 | 176.8 | 0 | 0 | 0 | 0 | 112 | W1477 T1478 Y1482 S1484 L1541 | W1477-V1480 PolarHBondContact O-N 2.96Å; W1477-V1480 VanDerWaalsContact O-N 3.17Å; T1478-V1480 PolarHBondContact O-N 3.27Å; V1480-Y1482 VanDerWaalsContact C-N 3.3Å; V1480-Y1482 PolarHBondContact O-N 2.85Å; V1480-S1484 PolarHBondContact O-N 3.04Å; V1480-L1541 HydrophobicContact CG2-CD1 4.2Å |
| 1481 | P | 92.1 | Very high | 87.6 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.013 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 171.1 | 18.8 | -28 | 0 | 0 | 0 | 111.8 | T1478 W1483 S1484 W1585 L1588 I1589 | T1478-P1481 WeakPolarHBondContact O-CD 3.46Å; T1478-P1481 WeakPolarHBondContact O-CG 3.42Å; P1481-W1483 PolarHBondContact O-N 3.3Å; P1481-S1484 WeakPolarHBondContact O-CB 3.34Å; P1481-S1484 PolarHBondContact O-N 3.11Å; P1481-S1484 VanDerWaalsContact O-N 3.11Å; P1481-S1484 PolarHBondContact O-OG 3.43Å; P1481-W1585 HydrophobicContact CB-CZ2 4.42Å; P1481-L1588 HydrophobicContact CB-CB 4.42Å; P1481-L1588 HydrophobicContact CB-CD2 3.8Å; P1481-L1588 HydrophobicContact CB-CG 3.77Å; P1481-L1588 HydrophobicContact CG-CD2 3.83Å; P1481-L1588 HydrophobicContact CG-CG 3.8Å; P1481-I1589 WeakPolarHBondContact O-CG1 3.13Å |
| 1482 | Y | 90.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.2 | -56 | 176 | -173.5 | -87.6 | 0 | 0 | 0 | 112.3 | T1478 I1479 V1480 S1484 L1485 L1545 D1549 H1559 S1592 T1593 Q1598 | T1478-Y1482 PolarHBondContact O-N 3.2Å; I1479-Y1482 HydrophobicContact CD1-CD1 4.11Å; I1479-Y1482 HydrophobicContact CD1-CG 4.42Å; I1479-Y1482 WeakPolarHBondContact O-CB 3.42Å; I1479-Y1482 PolarHBondContact O-N 2.83Å; V1480-Y1482 VanDerWaalsContact C-N 3.3Å; V1480-Y1482 PolarHBondContact O-N 2.85Å; Y1482-S1484 PolarHBondContact O-N 3.42Å; Y1482-L1485 WeakPolarHBondContact O-CB 3.47Å; Y1482-L1485 PolarHBondContact O-N 3.32Å; Y1482-L1545 HydrophobicContact CD1-CD2 4Å; Y1482-L1545 HydrophobicContact CE1-CD1 3.95Å; Y1482-L1545 HydrophobicContact CE1-CD2 3.54Å; Y1482-L1545 HydrophobicContact CE1-CG 4.42Å; Y1482-D1549 PolarHBondContact OH-OD2 2.9Å; Y1482-H1559 AromaticContact CE1-NE2 3.72Å; Y1482-H1559 AromaticContact CZ-CD2 3.64Å; Y1482-H1559 AromaticContact CZ-CE1 3.9Å; Y1482-H1559 AromaticContact CZ-NE2 3.5Å; Y1482-H1559 PolarHBondContact OH-CE1 2.91Å; Y1482-H1559 PolarHBondContact OH-NE2 3.06Å; Y1482-H1559 VanDerWaalsContact OH-NE2 3.16Å; Y1482-S1592 WeakPolarHBondContact CA-OG 3.31Å; Y1482-S1592 WeakPolarHBondContact CB-OG 3.35Å; Y1482-S1592 PolarHBondContact N-OG 3.07Å; Y1482-T1593 HydrophobicContact CD2-CG2 4.06Å; Y1482-T1593 HydrophobicContact CE2-CG2 3.9Å; Y1482-Q1598 HydrophobicContact CE2-CB 3.84Å; Y1482-Q1598 HydrophobicContact CE2-CG 4.01Å |
| 1483 | W | 86.8 | Confident | 87.4 | Confident | 63 Ų | 63 | 49.6 Ų | 49.6 | 24% | 0.239 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.7 | -24.5 | 178.1 | -94.9 | 69.6 | 0 | 0 | 0 | 114.2 | I1479 P1481 L1485 D1486 L1541 Q1544 L1545 F1548 | I1479-W1483 WeakPolarHBondContact O-CB 3.42Å; I1479-W1483 PolarHBondContact O-N 3.27Å; P1481-W1483 PolarHBondContact O-N 3.3Å; W1483-L1485 PolarHBondContact O-N 3Å; W1483-L1485 VanDerWaalsContact O-N 3.15Å; W1483-D1486 PolarHBondContact O-N 2.55Å; W1483-L1541 HydrophobicContact CD2-CD2 4.07Å; W1483-L1541 HydrophobicContact CE3-CD2 4.38Å; W1483-L1541 HydrophobicContact CG-CD2 4.42Å; W1483-L1541 HydrophobicContact CZ2-CD2 4.47Å; W1483-L1541 PolarHBondContact NE1-O 2.98Å; W1483-Q1544 HydrophobicContact CH2-CB 3.87Å; W1483-Q1544 HydrophobicContact CZ2-CB 3.7Å; W1483-L1545 HydrophobicContact CZ2-CB 4.25Å; W1483-F1548 AromaticContact CH2-CE1 3.96Å; W1483-F1548 HydrophobicContact CH2-CE1 3.96Å; W1483-F1548 AromaticContact CH2-CZ 3.82Å; W1483-F1548 HydrophobicContact CH2-CZ 3.82Å; W1483-F1548 HydrophobicContact CZ2-CE1 4.04Å; W1483-F1548 AromaticContact CZ2-CZ 3.73Å; W1483-F1548 HydrophobicContact CZ2-CZ 3.73Å |
| 1484 | S | 92.1 | Very high | 87.1 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.9 | -19.5 | 179 | 77.6 | 0 | 0 | 0 | 0 | 112.8 | V1480 P1481 Y1482 L1487 L1488 W1585 I1589 | V1480-S1484 PolarHBondContact O-N 3.04Å; P1481-S1484 WeakPolarHBondContact O-CB 3.34Å; P1481-S1484 PolarHBondContact O-N 3.11Å; P1481-S1484 VanDerWaalsContact O-N 3.11Å; P1481-S1484 PolarHBondContact O-OG 3.43Å; Y1482-S1484 PolarHBondContact O-N 3.42Å; S1484-L1487 PolarHBondContact O-N 3Å; S1484-L1488 WeakPolarHBondContact O-CB 3.41Å; S1484-L1488 WeakPolarHBondContact O-CG 3.4Å; S1484-L1488 PolarHBondContact O-N 3.37Å; S1484-W1585 PolarHBondContact OG-NE1 2.83Å; S1484-I1589 WeakPolarHBondContact OG-CD1 3.37Å |
| 1485 | L | 90.2 | Very high | 86.8 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 176.3 | -172.8 | 66.7 | 0 | 0 | 0 | 112.4 | Y1482 W1483 L1487 L1488 Y1489 H1559 L1562 C1563 L1566 F1586 I1589 | Y1482-L1485 WeakPolarHBondContact O-CB 3.47Å; Y1482-L1485 PolarHBondContact O-N 3.32Å; W1483-L1485 PolarHBondContact O-N 3Å; W1483-L1485 VanDerWaalsContact O-N 3.15Å; L1485-L1487 VanDerWaalsContact C-N 3.34Å; L1485-L1487 PolarHBondContact O-N 2.88Å; L1485-L1488 CarbonylContact O-C 3.6Å; L1485-L1488 PolarHBondContact O-N 3.47Å; L1485-Y1489 WeakPolarHBondContact O-CB 3.37Å; L1485-Y1489 PolarHBondContact O-N 3Å; L1485-H1559 HydrophobicContact CD2-CB 3.88Å; L1485-H1559 VanDerWaalsContact CD2-O 3.26Å; L1485-H1559 WeakPolarHBondContact CD2-O 3.38Å; L1485-L1562 HydrophobicContact CD1-CB 4.31Å; L1485-L1562 HydrophobicContact CD2-CB 4.18Å; L1485-L1562 HydrophobicContact CG-CB 4.48Å; L1485-C1563 HydrophobicContact CD1-CB 4.22Å; L1485-L1566 HydrophobicContact CD1-CD1 3.89Å; L1485-F1586 HydrophobicContact CD1-CE1 4.41Å; L1485-I1589 HydrophobicContact CB-CD1 4.48Å; L1485-I1589 HydrophobicContact CB-CG2 4.11Å; L1485-I1589 HydrophobicContact CD1-CD1 4.44Å; L1485-I1589 HydrophobicContact CD1-CG2 4.37Å; L1485-I1589 HydrophobicContact CD2-CG2 4.45Å |
| 1486 | D | 82 | Confident | 86.3 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 34% | 0.337 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 179.9 | -62.9 | -32.7 | 0 | 0 | 0 | 111.5 | W1483 Y1489 G1490 | W1483-D1486 PolarHBondContact O-N 2.55Å; D1486-Y1489 WeakPolarHBondContact O-CB 3.49Å; D1486-Y1489 PolarHBondContact O-N 2.82Å; D1486-G1490 PolarHBondContact O-N 3.05Å; D1486-G1490 VanDerWaalsContact O-N 3.12Å |
| 1487 | L | 83.3 | Confident | 85.9 | Confident | 114 Ų | 114 | 55.3 Ų | 55.3 | 60% | 0.597 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63 | -46.8 | 172.8 | -68.9 | 173.6 | 0 | 0 | 0 | 111.1 | S1484 L1485 Y1489 G1490 F1491 | S1484-L1487 PolarHBondContact O-N 3Å; L1485-L1487 VanDerWaalsContact C-N 3.34Å; L1485-L1487 PolarHBondContact O-N 2.88Å; L1487-Y1489 VanDerWaalsContact C-N 3.31Å; L1487-Y1489 PolarHBondContact O-N 3.33Å; L1487-G1490 PolarHBondContact O-N 3.31Å; L1487-F1491 HydrophobicContact CB-CD2 4.46Å; L1487-F1491 WeakPolarHBondContact O-CB 3.37Å; L1487-F1491 WeakPolarHBondContact O-CD2 3.27Å; L1487-F1491 PolarHBondContact O-N 3.09Å |
| 1488 | L | 89.5 | Confident | 85.3 | Confident | 34 Ų | 34 | 52.1 Ų | 52.1 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.6 | -34.8 | 178.9 | -72.2 | 167.7 | 0 | 0 | 0 | 112.1 | S1484 L1485 F1491 S1492 L1566 F1570 F1586 I1589 | S1484-L1488 WeakPolarHBondContact O-CB 3.41Å; S1484-L1488 WeakPolarHBondContact O-CG 3.4Å; S1484-L1488 PolarHBondContact O-N 3.37Å; L1485-L1488 CarbonylContact O-C 3.6Å; L1485-L1488 PolarHBondContact O-N 3.47Å; L1488-F1491 PolarHBondContact O-N 2.82Å; L1488-S1492 WeakPolarHBondContact O-CB 3.41Å; L1488-S1492 PolarHBondContact O-N 2.98Å; L1488-L1566 HydrophobicContact CB-CD1 4.35Å; L1488-F1570 HydrophobicContact CB-CE2 4.02Å; L1488-F1570 HydrophobicContact CB-CZ 4.39Å; L1488-F1570 HydrophobicContact CD2-CD2 4.42Å; L1488-F1570 HydrophobicContact CD2-CE1 4.27Å; L1488-F1570 HydrophobicContact CD2-CE2 3.89Å; L1488-F1570 HydrophobicContact CD2-CZ 3.8Å; L1488-F1570 WeakPolarHBondContact O-CE2 3.36Å; L1488-F1570 WeakPolarHBondContact O-CZ 3.2Å; L1488-F1586 HydrophobicContact CD1-CE1 4.07Å; L1488-F1586 HydrophobicContact CD1-CE2 4.3Å; L1488-F1586 HydrophobicContact CD1-CZ 3.76Å; L1488-I1589 HydrophobicContact CD1-CD1 3.82Å |
| 1489 | Y | 86 | Confident | 84.5 | Confident | 90 Ų | 90 | 56.5 Ų | 56.5 | 35% | 0.353 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.9 | -52.8 | 172.4 | 174.8 | -88.7 | 0 | 0 | 0 | 110.4 | L1485 D1486 L1487 F1491 S1492 L1509 L1562 | L1485-Y1489 WeakPolarHBondContact O-CB 3.37Å; L1485-Y1489 PolarHBondContact O-N 3Å; D1486-Y1489 WeakPolarHBondContact O-CB 3.49Å; D1486-Y1489 PolarHBondContact O-N 2.82Å; L1487-Y1489 VanDerWaalsContact C-N 3.31Å; L1487-Y1489 PolarHBondContact O-N 3.33Å; Y1489-F1491 PolarHBondContact O-N 3.37Å; Y1489-S1492 WeakPolarHBondContact O-CB 3.28Å; Y1489-S1492 PolarHBondContact O-N 3.34Å; Y1489-S1492 PolarHBondContact O-OG 3.09Å; Y1489-L1509 HydrophobicContact CD2-CD1 4.38Å; Y1489-L1509 HydrophobicContact CD2-CD2 4.11Å; Y1489-L1509 HydrophobicContact CE2-CB 4.4Å; Y1489-L1509 HydrophobicContact CE2-CD1 3.8Å; Y1489-L1509 HydrophobicContact CE2-CD2 3.83Å; Y1489-L1509 HydrophobicContact CE2-CG 4.21Å; Y1489-L1562 HydrophobicContact CD2-CD1 4.05Å; Y1489-L1562 HydrophobicContact CD2-CD2 3.91Å; Y1489-L1562 HydrophobicContact CE2-CD1 4.48Å; Y1489-L1562 HydrophobicContact CE2-CD2 4.03Å |
| 1490 | G | 79.1 | Confident | 84 | Confident | 31 Ų | 31 | 60 Ų | 60 | 32% | 0.32 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | D1486 L1487 S1492 F1494 | D1486-G1490 PolarHBondContact O-N 3.05Å; D1486-G1490 VanDerWaalsContact O-N 3.12Å; L1487-G1490 PolarHBondContact O-N 3.31Å; G1490-S1492 VanDerWaalsContact C-N 3.29Å; G1490-S1492 PolarHBondContact O-N 3.3Å; G1490-F1494 WeakPolarHBondContact O-CD2 3.48Å |
| 1491 | F | 84.8 | Confident | 83.6 | Confident | 124 Ų | 124 | 57 Ų | 57 | 54% | 0.544 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.4 | -27 | 179.3 | -81.4 | -61.3 | 0 | 0 | 0 | 113.9 | L1487 L1488 Y1489 L1493 F1494 V1495 F1570 | L1487-F1491 HydrophobicContact CB-CD2 4.46Å; L1487-F1491 WeakPolarHBondContact O-CB 3.37Å; L1487-F1491 WeakPolarHBondContact O-CD2 3.27Å; L1487-F1491 PolarHBondContact O-N 3.09Å; L1488-F1491 PolarHBondContact O-N 2.82Å; Y1489-F1491 PolarHBondContact O-N 3.37Å; F1491-L1493 PolarHBondContact O-N 3.01Å; F1491-F1494 PolarHBondContact O-N 2.88Å; F1491-V1495 PolarHBondContact O-N 3.35Å; F1491-F1570 HydrophobicContact CB-CZ 4.15Å |
| 1492 | S | 87.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.2 | -33.2 | -176.5 | 73.8 | 0 | 0 | 0 | 0 | 113.5 | L1488 Y1489 G1490 F1494 V1495 C1496 L1566 H1569 | L1488-S1492 WeakPolarHBondContact O-CB 3.41Å; L1488-S1492 PolarHBondContact O-N 2.98Å; Y1489-S1492 WeakPolarHBondContact O-CB 3.28Å; Y1489-S1492 PolarHBondContact O-N 3.34Å; Y1489-S1492 PolarHBondContact O-OG 3.09Å; G1490-S1492 VanDerWaalsContact C-N 3.29Å; G1490-S1492 PolarHBondContact O-N 3.3Å; S1492-F1494 VanDerWaalsContact C-N 3.3Å; S1492-F1494 PolarHBondContact O-N 2.8Å; S1492-V1495 PolarHBondContact O-N 3.43Å; S1492-C1496 PolarHBondContact O-SG 3.43Å; S1492-L1566 VanDerWaalsContact CB-CD2 3.43Å; S1492-H1569 PolarHBondContact O-NE2 3.42Å |
| 1493 | L | 79.7 | Confident | 82.9 | Confident | 69 Ų | 69 | 69.1 Ų | 69.1 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.6 | -29.7 | 178.2 | -62.2 | 176.7 | 0 | 0 | 0 | 112.5 | F1491 L1505 V1506 L1509 | F1491-L1493 PolarHBondContact O-N 3.01Å; L1493-L1505 HydrophobicContact CD2-CD2 4.27Å; L1493-V1506 HydrophobicContact CD2-CG2 4.13Å; L1493-L1509 HydrophobicContact CD2-CD1 4.43Å |
| 1494 | F | 80.5 | Confident | 82.8 | Confident | 170 Ų | 170 | 68.4 Ų | 68.4 | 75% | 0.746 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -85.2 | -14.8 | 179.4 | -61.4 | -82.8 | 0 | 0 | 0 | 113.7 | G1490 F1491 S1492 | G1490-F1494 WeakPolarHBondContact O-CD2 3.48Å; F1491-F1494 PolarHBondContact O-N 2.88Å; S1492-F1494 VanDerWaalsContact C-N 3.3Å; S1492-F1494 PolarHBondContact O-N 2.8Å |
| 1495 | V | 82.8 | Confident | 82.6 | Confident | 46 Ų | 46 | 68 Ų | 68 | 28% | 0.279 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -86.6 | -14 | -179.6 | 175.8 | 0 | 0 | 0 | 0 | 112.2 | F1491 S1492 S1497 F1570 H1573 | F1491-V1495 PolarHBondContact O-N 3.35Å; S1492-V1495 PolarHBondContact O-N 3.43Å; V1495-S1497 PolarHBondContact O-N 3.32Å; V1495-F1570 HydrophobicContact CG2-CD1 4.31Å; V1495-F1570 HydrophobicContact CG2-CE1 3.73Å; V1495-F1570 HydrophobicContact CG2-CZ 4.47Å; V1495-H1573 HydrophobicContact CG1-CB 3.86Å; V1495-H1573 WeakPolarHBondContact CG1-CD2 3.45Å |
| 1496 | C | 80.1 | Confident | 82.4 | Confident | 26 Ų | 26 | 70.5 Ų | 70.5 | 18% | 0.176 | 36% | 0.359 | C | S | . | . | trans | -62.6 | 126.7 | -179.7 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | S1492 E1501 Q1502 H1569 | S1492-C1496 PolarHBondContact O-SG 3.43Å; C1496-E1501 HydrophobicContact CB-CG 4.46Å; C1496-Q1502 HydrophobicContact CB-CB 3.94Å; C1496-H1569 VanDerWaalsContact SG-CE1 3.56Å | ||
| 1497 | S | 77.3 | Confident | 82.5 | Confident | 87 Ų | 87 | 72.5 Ų | 72.5 | 61% | 0.608 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -86 | -21.3 | -178 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | V1495 E1501 | V1495-S1497 PolarHBondContact O-N 3.32Å; S1497-E1501 PolarHBondContact N-OE2 3.47Å; S1497-E1501 PolarHBondContact OG-OE2 3.42Å |
| 1498 | T | 77.4 | Confident | 82.9 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 45% | 0.454 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -139.7 | 155.5 | -179.3 | 66.6 | 0 | 0 | 0 | 0 | 111.2 | F1500 E1501 Q1502 | T1498-F1500 PolarHBondContact O-N 3.15Å; T1498-E1501 WeakPolarHBondContact O-CB 3.4Å; T1498-E1501 PolarHBondContact O-N 3.29Å; T1498-E1501 VanDerWaalsContact OG1-CB 3.29Å; T1498-E1501 WeakPolarHBondContact OG1-CB 3.32Å; T1498-E1501 PolarHBondContact OG1-N 2.91Å; T1498-E1501 VanDerWaalsContact OG1-N 3.14Å; T1498-Q1502 PolarHBondContact O-N 3.25Å |
| 1499 | T | 76 | Confident | 83 | Confident | 96 Ų | 96 | 66.3 Ų | 66.3 | 59% | 0.589 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.7 | -28.8 | 174.3 | 54.7 | 0 | 0 | 0 | 0 | 112.4 | R1503 | T1499-R1503 WeakPolarHBondContact O-CB 3.36Å; T1499-R1503 VanDerWaalsContact O-CG 3.27Å; T1499-R1503 WeakPolarHBondContact O-CG 3.38Å; T1499-R1503 PolarHBondContact O-N 3.08Å |
| 1500 | F | 78 | Confident | 83 | Confident | 74 Ų | 74 | 66.7 Ų | 66.7 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 173.5 | -179.4 | -103.2 | 0 | 0 | 0 | 111 | T1498 R1503 R1504 V1620 | T1498-F1500 PolarHBondContact O-N 3.15Å; F1500-R1503 PolarHBondContact O-N 3.33Å; F1500-R1504 HydrophobicContact CD1-CG 4.42Å; F1500-R1504 HydrophobicContact CE1-CG 4.12Å; F1500-R1504 HydrophobicContact CE2-CG 4.5Å; F1500-R1504 HydrophobicContact CZ-CG 4.16Å; F1500-R1504 WeakPolarHBondContact O-CG 3.35Å; F1500-R1504 PolarHBondContact O-N 3.33Å; F1500-V1620 VanDerWaalsContact CE1-O 3.26Å; F1500-V1620 WeakPolarHBondContact CE1-O 3.27Å |
| 1501 | E | 80.7 | Confident | 83.5 | Confident | 16 Ų | 16 | 67.1 Ų | 67.1 | 8% | 0.075 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 175 | -175.7 | -177 | -176 | 0 | 0 | 111.7 | C1496 S1497 T1498 R1503 R1504 L1505 H1569 Q1572 H1573 | C1496-E1501 HydrophobicContact CB-CG 4.46Å; S1497-E1501 PolarHBondContact N-OE2 3.47Å; S1497-E1501 PolarHBondContact OG-OE2 3.42Å; T1498-E1501 WeakPolarHBondContact O-CB 3.4Å; T1498-E1501 PolarHBondContact O-N 3.29Å; T1498-E1501 VanDerWaalsContact OG1-CB 3.29Å; T1498-E1501 WeakPolarHBondContact OG1-CB 3.32Å; T1498-E1501 PolarHBondContact OG1-N 2.91Å; T1498-E1501 VanDerWaalsContact OG1-N 3.14Å; E1501-R1503 PolarHBondContact O-N 3.14Å; E1501-R1504 PolarHBondContact O-N 3.39Å; E1501-L1505 PolarHBondContact O-N 3.35Å; E1501-H1569 IonicContact OE1-CE1 2.87Å; E1501-H1569 PolarHBondContact OE1-CE1 2.86Å; E1501-H1569 IonicContact OE1-ND1 3.04Å; E1501-Q1572 PolarHBondContact OE1-NE2 2.79Å; E1501-H1573 IonicContact OE1-CD2 3.87Å; E1501-H1573 IonicContact OE1-CE1 2.73Å; E1501-H1573 PolarHBondContact OE1-CE1 2.86Å; E1501-H1573 IonicContact OE1-NE2 3.29Å; E1501-H1573 PolarHBondContact OE1-NE2 3.34Å; E1501-H1573 IonicContact OE2-CE1 3.9Å; E1501-H1573 IonicContact OE2-NE2 3.95Å |
| 1502 | Q | 84.3 | Confident | 83.8 | Confident | 85 Ų | 85 | 61.2 Ų | 61.2 | 40% | 0.397 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.7 | -47.3 | 176.6 | -171.2 | -172.8 | 10.3 | 0 | 0 | 111.8 | C1496 T1498 R1504 L1505 V1506 | C1496-Q1502 HydrophobicContact CB-CB 3.94Å; T1498-Q1502 PolarHBondContact O-N 3.25Å; Q1502-R1504 VanDerWaalsContact C-N 3.33Å; Q1502-R1504 PolarHBondContact O-N 3.01Å; Q1502-L1505 PolarHBondContact O-N 3.32Å; Q1502-V1506 WeakPolarHBondContact O-CG2 3.38Å; Q1502-V1506 PolarHBondContact O-N 3.38Å |
| 1503 | R | 83.5 | Confident | 83.8 | Confident | 174 Ų | 174 | 64.1 Ų | 64.1 | 66% | 0.657 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.3 | -40 | 176.4 | -74.5 | 174.8 | -176.1 | -176.1 | 0.6 | 112 | T1499 F1500 E1501 H1507 | T1499-R1503 WeakPolarHBondContact O-CB 3.36Å; T1499-R1503 VanDerWaalsContact O-CG 3.27Å; T1499-R1503 WeakPolarHBondContact O-CG 3.38Å; T1499-R1503 PolarHBondContact O-N 3.08Å; F1500-R1503 PolarHBondContact O-N 3.33Å; E1501-R1503 PolarHBondContact O-N 3.14Å; R1503-H1507 VanDerWaalsContact O-CG 3.32Å; R1503-H1507 PolarHBondContact O-N 3.12Å; R1503-H1507 PolarHBondContact O-ND1 3.44Å |
| 1504 | R | 85 | Confident | 84 | Confident | 47 Ų | 47 | 64.4 Ų | 64.4 | 18% | 0.177 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 176.4 | -72.7 | -63.7 | -164.9 | -171.7 | 9 | 111.7 | F1500 E1501 Q1502 R1508 P1619 R1622 | F1500-R1504 HydrophobicContact CD1-CG 4.42Å; F1500-R1504 HydrophobicContact CE1-CG 4.12Å; F1500-R1504 HydrophobicContact CE2-CG 4.5Å; F1500-R1504 HydrophobicContact CZ-CG 4.16Å; F1500-R1504 WeakPolarHBondContact O-CG 3.35Å; F1500-R1504 PolarHBondContact O-N 3.33Å; E1501-R1504 PolarHBondContact O-N 3.39Å; Q1502-R1504 VanDerWaalsContact C-N 3.33Å; Q1502-R1504 PolarHBondContact O-N 3.01Å; R1504-R1508 VanDerWaalsContact O-CG 3.31Å; R1504-R1508 WeakPolarHBondContact O-CG 3.38Å; R1504-R1508 PolarHBondContact O-N 2.72Å; R1504-P1619 PolarHBondContact NE-O 3.06Å; R1504-R1622 PolarHBondContact NH2-O 3.49Å |
| 1505 | L | 86.7 | Confident | 84.4 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.2 | -49.3 | 174.6 | -179.6 | 64.9 | 0 | 0 | 0 | 111 | L1493 E1501 Q1502 H1507 R1508 L1509 H1569 | L1493-L1505 HydrophobicContact CD2-CD2 4.27Å; E1501-L1505 PolarHBondContact O-N 3.35Å; Q1502-L1505 PolarHBondContact O-N 3.32Å; L1505-H1507 PolarHBondContact O-N 3.14Å; L1505-R1508 WeakPolarHBondContact O-CA 3.48Å; L1505-R1508 WeakPolarHBondContact O-CB 3.46Å; L1505-R1508 PolarHBondContact O-N 3.09Å; L1505-L1509 HydrophobicContact CD1-CD1 4.45Å; L1505-L1509 HydrophobicContact CD1-CG 4.32Å; L1505-L1509 HydrophobicContact CG-CD1 4.14Å; L1505-L1509 HydrophobicContact CG-CG 4.38Å; L1505-L1509 WeakPolarHBondContact O-CG 3.45Å; L1505-L1509 PolarHBondContact O-N 3.44Å; L1505-H1569 HydrophobicContact CD1-CB 4.37Å |
| 1506 | V | 86 | Confident | 84.6 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 32% | 0.321 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 178.1 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | L1493 Q1502 R1508 L1509 I1510 | L1493-V1506 HydrophobicContact CD2-CG2 4.13Å; Q1502-V1506 WeakPolarHBondContact O-CG2 3.38Å; Q1502-V1506 PolarHBondContact O-N 3.38Å; V1506-R1508 VanDerWaalsContact C-N 3.32Å; V1506-R1508 PolarHBondContact O-N 3.41Å; V1506-L1509 PolarHBondContact O-N 3.17Å; V1506-I1510 HydrophobicContact CG1-CD1 3.69Å; V1506-I1510 HydrophobicContact CG1-CG1 4.28Å; V1506-I1510 WeakPolarHBondContact O-CG1 3.19Å; V1506-I1510 PolarHBondContact O-N 3.48Å |
| 1507 | H | 85.3 | Confident | 84.6 | Confident | 104 Ų | 104 | 57.9 Ų | 57.9 | 48% | 0.481 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 173.9 | -73.1 | 129.2 | 0 | 0 | 0 | 112.7 | R1503 L1505 L1511 V1618 | R1503-H1507 VanDerWaalsContact O-CG 3.32Å; R1503-H1507 PolarHBondContact O-N 3.12Å; R1503-H1507 PolarHBondContact O-ND1 3.44Å; L1505-H1507 PolarHBondContact O-N 3.14Å; H1507-L1511 VanDerWaalsContact O-CB 3.27Å; H1507-L1511 WeakPolarHBondContact O-CB 3.31Å; H1507-L1511 PolarHBondContact O-N 3.04Å; H1507-V1618 HydrophobicContact CB-CG1 4.25Å |
| 1508 | R | 91.7 | Very high | 84.7 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 175.9 | -72 | 169.2 | 171.6 | -142.2 | -11.4 | 111.8 | R1504 L1505 V1506 A1512 L1565 I1614 D1615 V1618 V1620 | R1504-R1508 VanDerWaalsContact O-CG 3.31Å; R1504-R1508 WeakPolarHBondContact O-CG 3.38Å; R1504-R1508 PolarHBondContact O-N 2.72Å; L1505-R1508 WeakPolarHBondContact O-CA 3.48Å; L1505-R1508 WeakPolarHBondContact O-CB 3.46Å; L1505-R1508 PolarHBondContact O-N 3.09Å; V1506-R1508 VanDerWaalsContact C-N 3.32Å; V1506-R1508 PolarHBondContact O-N 3.41Å; R1508-A1512 WeakPolarHBondContact O-CB 3.38Å; R1508-A1512 PolarHBondContact O-N 3.02Å; R1508-L1565 HydrophobicContact CB-CD1 4.27Å; R1508-L1565 HydrophobicContact CB-CD2 4.46Å; R1508-I1614 HydrophobicContact CB-CG2 3.86Å; R1508-I1614 HydrophobicContact CG-CG2 3.93Å; R1508-D1615 IonicContact CZ-OD1 3.21Å; R1508-D1615 IonicContact NH1-OD1 3.32Å; R1508-D1615 PolarHBondContact NH1-OD1 3.11Å; R1508-D1615 PolarHBondContact NH2-O 3.2Å; R1508-D1615 VanDerWaalsContact NH2-O 3.16Å; R1508-D1615 IonicContact NH2-OD1 3.95Å; R1508-D1615 PolarHBondContact NH2-OD1 2.97Å; R1508-V1618 HydrophobicContact CG-CB 3.77Å; R1508-V1618 HydrophobicContact CG-CG1 3.9Å; R1508-V1618 HydrophobicContact CG-CG2 4.4Å; R1508-V1618 PolarHBondContact NE-O 3.02Å; R1508-V1618 PolarHBondContact NH2-O 2.78Å; R1508-V1620 VanDerWaalsContact NH2-CG2 3.28Å |
| 1509 | L | 90.2 | Very high | 84.8 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.6 | -42.2 | 178.6 | -63.1 | 178.6 | 0 | 0 | 0 | 111.8 | Y1489 L1493 L1505 V1506 A1512 T1513 L1562 | Y1489-L1509 HydrophobicContact CD2-CD1 4.38Å; Y1489-L1509 HydrophobicContact CD2-CD2 4.11Å; Y1489-L1509 HydrophobicContact CE2-CB 4.4Å; Y1489-L1509 HydrophobicContact CE2-CD1 3.8Å; Y1489-L1509 HydrophobicContact CE2-CD2 3.83Å; Y1489-L1509 HydrophobicContact CE2-CG 4.21Å; L1493-L1509 HydrophobicContact CD2-CD1 4.43Å; L1505-L1509 HydrophobicContact CD1-CD1 4.45Å; L1505-L1509 HydrophobicContact CD1-CG 4.32Å; L1505-L1509 HydrophobicContact CG-CD1 4.14Å; L1505-L1509 HydrophobicContact CG-CG 4.38Å; L1505-L1509 WeakPolarHBondContact O-CG 3.45Å; L1505-L1509 PolarHBondContact O-N 3.44Å; V1506-L1509 PolarHBondContact O-N 3.17Å; L1509-A1512 WeakPolarHBondContact O-CB 3.21Å; L1509-A1512 PolarHBondContact O-N 3.11Å; L1509-T1513 PolarHBondContact O-N 2.96Å; L1509-T1513 PolarHBondContact O-OG1 2.98Å; L1509-L1562 HydrophobicContact CD2-CD2 3.64Å |
| 1510 | I | 87.4 | Confident | 85 | Confident | 98 Ų | 98 | 50.6 Ų | 50.6 | 50% | 0.503 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 174 | -68.6 | 170 | 0 | 0 | 0 | 110.2 | V1506 A1512 T1513 V1514 | V1506-I1510 HydrophobicContact CG1-CD1 3.69Å; V1506-I1510 HydrophobicContact CG1-CG1 4.28Å; V1506-I1510 WeakPolarHBondContact O-CG1 3.19Å; V1506-I1510 PolarHBondContact O-N 3.48Å; I1510-A1512 VanDerWaalsContact C-N 3.27Å; I1510-A1512 PolarHBondContact O-N 2.85Å; I1510-T1513 PolarHBondContact O-N 3.3Å; I1510-V1514 HydrophobicContact CG2-CG2 4.23Å; I1510-V1514 WeakPolarHBondContact O-CG2 3.34Å; I1510-V1514 PolarHBondContact O-N 2.82Å |
| 1511 | L | 88.7 | Confident | 84.6 | Confident | 40 Ų | 40 | 54 Ų | 54 | 21% | 0.209 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 178.3 | -169.9 | 63.9 | 0 | 0 | 0 | 111.5 | H1507 M1515 I1614 M1617 V1618 | H1507-L1511 VanDerWaalsContact O-CB 3.27Å; H1507-L1511 WeakPolarHBondContact O-CB 3.31Å; H1507-L1511 PolarHBondContact O-N 3.04Å; L1511-M1515 HydrophobicContact CD1-CG 4.1Å; L1511-M1515 HydrophobicContact CD1-SD 4.24Å; L1511-M1515 HydrophobicContact CD2-SD 4.44Å; L1511-M1515 HydrophobicContact CG-CG 4.22Å; L1511-M1515 HydrophobicContact CG-SD 3.96Å; L1511-M1515 VanDerWaalsContact O-CB 3.23Å; L1511-M1515 WeakPolarHBondContact O-CB 3.46Å; L1511-M1515 VanDerWaalsContact O-CG 3.24Å; L1511-M1515 WeakPolarHBondContact O-CG 3.29Å; L1511-M1515 PolarHBondContact O-N 3.42Å; L1511-I1614 HydrophobicContact CB-CG1 4.49Å; L1511-I1614 HydrophobicContact CB-CG2 4.47Å; L1511-I1614 HydrophobicContact CD2-CB 4.39Å; L1511-I1614 HydrophobicContact CD2-CG1 3.87Å; L1511-I1614 HydrophobicContact CD2-CG2 4.19Å; L1511-I1614 HydrophobicContact CG-CD1 4.42Å; L1511-I1614 HydrophobicContact CG-CG1 3.99Å; L1511-M1617 HydrophobicContact CD2-CB 4.31Å; L1511-M1617 HydrophobicContact CD2-CE 3.86Å; L1511-M1617 HydrophobicContact CD2-SD 4.06Å; L1511-V1618 HydrophobicContact CD2-CG2 4.24Å |
| 1512 | A | 90.5 | Very high | 84 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.7 | -48 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1508 L1509 I1510 A1516 L1558 I1561 L1562 L1565 I1614 | R1508-A1512 WeakPolarHBondContact O-CB 3.38Å; R1508-A1512 PolarHBondContact O-N 3.02Å; L1509-A1512 WeakPolarHBondContact O-CB 3.21Å; L1509-A1512 PolarHBondContact O-N 3.11Å; I1510-A1512 VanDerWaalsContact C-N 3.27Å; I1510-A1512 PolarHBondContact O-N 2.85Å; A1512-A1516 WeakPolarHBondContact O-CB 3.28Å; A1512-A1516 PolarHBondContact O-N 2.83Å; A1512-L1558 HydrophobicContact CB-CD1 4.43Å; A1512-I1561 HydrophobicContact CB-CG2 3.46Å; A1512-I1561 VanDerWaalsContact CB-CG2 3.46Å; A1512-L1562 HydrophobicContact CB-CD2 4.46Å; A1512-L1565 HydrophobicContact CB-CD1 4.03Å; A1512-I1614 VanDerWaalsContact CA-CD1 3.48Å; A1512-I1614 HydrophobicContact CB-CD1 3.9Å |
| 1513 | T | 87.5 | Confident | 83.4 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.4 | -48 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | L1509 I1510 M1515 A1516 C1517 | L1509-T1513 PolarHBondContact O-N 2.96Å; L1509-T1513 PolarHBondContact O-OG1 2.98Å; I1510-T1513 PolarHBondContact O-N 3.3Å; T1513-M1515 PolarHBondContact O-N 3.4Å; T1513-A1516 PolarHBondContact O-N 3.37Å; T1513-C1517 WeakPolarHBondContact O-CB 3.49Å; T1513-C1517 PolarHBondContact O-N 3.27Å; T1513-C1517 PolarHBondContact O-SG 3.18Å |
| 1514 | V | 85.1 | Confident | 82.4 | Confident | 75 Ų | 75 | 55.4 Ų | 55.4 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.2 | -48.3 | 179.6 | 172.3 | 0 | 0 | 0 | 0 | 111 | I1510 A1516 C1517 C1518 | I1510-V1514 HydrophobicContact CG2-CG2 4.23Å; I1510-V1514 WeakPolarHBondContact O-CG2 3.34Å; I1510-V1514 PolarHBondContact O-N 2.82Å; V1514-A1516 PolarHBondContact O-N 3.49Å; V1514-C1517 PolarHBondContact O-N 3.13Å; V1514-C1518 WeakPolarHBondContact O-CB 3.4Å; V1514-C1518 PolarHBondContact O-N 3.2Å; V1514-C1518 PolarHBondContact O-SG 3.1Å |
| 1515 | M | 88.5 | Confident | 81.6 | Confident | 46 Ų | 46 | 53.4 Ų | 53.4 | 23% | 0.227 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.9 | -37.4 | 179.5 | -73 | -174.5 | 66.3 | 0 | 0 | 112.9 | L1511 T1513 G1519 V1610 L1613 I1614 | L1511-M1515 HydrophobicContact CD1-CG 4.1Å; L1511-M1515 HydrophobicContact CD1-SD 4.24Å; L1511-M1515 HydrophobicContact CD2-SD 4.44Å; L1511-M1515 HydrophobicContact CG-CG 4.22Å; L1511-M1515 HydrophobicContact CG-SD 3.96Å; L1511-M1515 VanDerWaalsContact O-CB 3.23Å; L1511-M1515 WeakPolarHBondContact O-CB 3.46Å; L1511-M1515 VanDerWaalsContact O-CG 3.24Å; L1511-M1515 WeakPolarHBondContact O-CG 3.29Å; L1511-M1515 PolarHBondContact O-N 3.42Å; T1513-M1515 PolarHBondContact O-N 3.4Å; M1515-G1519 PolarHBondContact O-N 3.35Å; M1515-V1610 HydrophobicContact CB-CG1 4.05Å; M1515-V1610 HydrophobicContact CE-CB 4.28Å; M1515-V1610 HydrophobicContact CE-CG1 3.59Å; M1515-V1610 HydrophobicContact CE-CG2 3.97Å; M1515-V1610 HydrophobicContact SD-CG1 4Å; M1515-L1613 HydrophobicContact CE-CD2 4.09Å; M1515-I1614 HydrophobicContact SD-CD1 3.97Å; M1515-I1614 HydrophobicContact SD-CG1 3.72Å |
| 1516 | A | 86.1 | Confident | 80.6 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.6 | -49.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1512 T1513 V1514 C1518 G1519 F1520 L1558 I1561 | A1512-A1516 WeakPolarHBondContact O-CB 3.28Å; A1512-A1516 PolarHBondContact O-N 2.83Å; T1513-A1516 PolarHBondContact O-N 3.37Å; V1514-A1516 PolarHBondContact O-N 3.49Å; A1516-C1518 PolarHBondContact O-N 3.18Å; A1516-G1519 CarbonylContact O-C 3.56Å; A1516-G1519 WeakPolarHBondContact O-CA 3.4Å; A1516-G1519 PolarHBondContact O-N 3.25Å; A1516-F1520 HydrophobicContact CB-CE2 4.01Å; A1516-F1520 HydrophobicContact CB-CZ 3.93Å; A1516-F1520 VanDerWaalsContact O-CD1 3.31Å; A1516-F1520 WeakPolarHBondContact O-CD1 3.29Å; A1516-F1520 WeakPolarHBondContact O-CD2 3.35Å; A1516-F1520 WeakPolarHBondContact O-CG 3.42Å; A1516-F1520 PolarHBondContact O-N 2.93Å; A1516-L1558 HydrophobicContact CB-CB 4.15Å; A1516-L1558 HydrophobicContact CB-CD1 3.96Å; A1516-I1561 HydrophobicContact CB-CD1 4.21Å |
| 1517 | C | 81.7 | Confident | 79.7 | Confident | 59 Ų | 59 | 55 Ų | 55 | 40% | 0.399 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 176.4 | -70.8 | 0 | 0 | 0 | 0 | 112.6 | T1513 V1514 G1519 F1520 L1521 | T1513-C1517 WeakPolarHBondContact O-CB 3.49Å; T1513-C1517 PolarHBondContact O-N 3.27Å; T1513-C1517 PolarHBondContact O-SG 3.18Å; V1514-C1517 PolarHBondContact O-N 3.13Å; C1517-G1519 VanDerWaalsContact C-N 3.32Å; C1517-G1519 PolarHBondContact O-N 3.27Å; C1517-F1520 PolarHBondContact O-N 3.17Å; C1517-L1521 WeakPolarHBondContact O-CB 3.41Å; C1517-L1521 VanDerWaalsContact O-CG 3.31Å; C1517-L1521 WeakPolarHBondContact O-CG 3.47Å; C1517-L1521 PolarHBondContact O-N 3.15Å |
| 1518 | C | 79.3 | Confident | 78.8 | Confident | 61 Ų | 61 | 52.3 Ų | 52.3 | 41% | 0.412 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 172.2 | -71.5 | 0 | 0 | 0 | 0 | 111.3 | V1514 A1516 L1521 L1522 | V1514-C1518 WeakPolarHBondContact O-CB 3.4Å; V1514-C1518 PolarHBondContact O-N 3.2Å; V1514-C1518 PolarHBondContact O-SG 3.1Å; A1516-C1518 PolarHBondContact O-N 3.18Å; C1518-L1521 PolarHBondContact O-N 2.88Å; C1518-L1522 VanDerWaalsContact O-CB 3.27Å; C1518-L1522 WeakPolarHBondContact O-CB 3.35Å; C1518-L1522 WeakPolarHBondContact O-CG 3.44Å; C1518-L1522 PolarHBondContact O-N 3.32Å |
| 1519 | G | 79.3 | Confident | 78 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 16% | 0.155 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | M1515 A1516 C1517 L1521 L1522 Y1523 S1555 | M1515-G1519 PolarHBondContact O-N 3.35Å; A1516-G1519 CarbonylContact O-C 3.56Å; A1516-G1519 WeakPolarHBondContact O-CA 3.4Å; A1516-G1519 PolarHBondContact O-N 3.25Å; C1517-G1519 VanDerWaalsContact C-N 3.32Å; C1517-G1519 PolarHBondContact O-N 3.27Å; G1519-L1521 PolarHBondContact O-N 3.25Å; G1519-L1522 PolarHBondContact O-N 2.8Å; G1519-Y1523 WeakPolarHBondContact O-CA 3.43Å; G1519-Y1523 PolarHBondContact O-N 3.5Å; G1519-S1555 CarbonylContact C-O 3.52Å |
| 1520 | F | 80.1 | Confident | 76.9 | Confident | 27 Ų | 27 | 61.2 Ų | 61.2 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 177.6 | -56.1 | -25.8 | 0 | 0 | 0 | 113 | A1516 C1517 P1524 N1553 P1556 L1558 | A1516-F1520 HydrophobicContact CB-CE2 4.01Å; A1516-F1520 HydrophobicContact CB-CZ 3.93Å; A1516-F1520 VanDerWaalsContact O-CD1 3.31Å; A1516-F1520 WeakPolarHBondContact O-CD1 3.29Å; A1516-F1520 WeakPolarHBondContact O-CD2 3.35Å; A1516-F1520 WeakPolarHBondContact O-CG 3.42Å; A1516-F1520 PolarHBondContact O-N 2.93Å; C1517-F1520 PolarHBondContact O-N 3.17Å; F1520-P1524 VanDerWaalsContact O-CA 3.26Å; F1520-P1524 WeakPolarHBondContact O-CA 3.18Å; F1520-P1524 WeakPolarHBondContact O-CB 3.32Å; F1520-N1553 HydrophobicContact CB-CB 3.97Å; F1520-N1553 HydrophobicContact CD1-CB 3.77Å; F1520-N1553 HydrophobicContact CD2-CB 3.61Å; F1520-N1553 HydrophobicContact CE1-CB 4.09Å; F1520-N1553 WeakPolarHBondContact CE1-O 3.39Å; F1520-N1553 HydrophobicContact CE2-CB 3.93Å; F1520-N1553 HydrophobicContact CG-CB 3.52Å; F1520-N1553 HydrophobicContact CZ-CB 4.16Å; F1520-N1553 WeakPolarHBondContact CZ-O 3.05Å; F1520-P1556 WeakPolarHBondContact CE1-O 3.5Å; F1520-L1558 HydrophobicContact CZ-CB 4.37Å |
| 1521 | L | 68.1 | Low | 76.4 | Confident | 147 Ų | 147 | 59 Ų | 59 | 77% | 0.77 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -74.2 | -39 | 176.4 | -70.2 | 170.7 | 0 | 0 | 0 | 112.4 | C1517 C1518 G1519 | C1517-L1521 WeakPolarHBondContact O-CB 3.41Å; C1517-L1521 VanDerWaalsContact O-CG 3.31Å; C1517-L1521 WeakPolarHBondContact O-CG 3.47Å; C1517-L1521 PolarHBondContact O-N 3.15Å; C1518-L1521 PolarHBondContact O-N 2.88Å; G1519-L1521 PolarHBondContact O-N 3.25Å |
| 1522 | L | 69 | Low | 75.7 | Confident | 148 Ų | 148 | 60 Ų | 60 | 78% | 0.775 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -78.3 | -29.9 | -179.7 | -69.2 | 171.3 | 0 | 0 | 0 | 112.7 | C1518 G1519 | C1518-L1522 VanDerWaalsContact O-CB 3.27Å; C1518-L1522 WeakPolarHBondContact O-CB 3.35Å; C1518-L1522 WeakPolarHBondContact O-CG 3.44Å; C1518-L1522 PolarHBondContact O-N 3.32Å; G1519-L1522 PolarHBondContact O-N 2.8Å |
| 1523 | Y | 70.8 | Confident | 75 | Confident | 105 Ų | 105 | 69.8 Ų | 69.8 | 41% | 0.412 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -141.6 | 69.3 | -176.8 | -156.5 | -118.6 | 0 | 0 | 0 | 111.3 | Q1464 G1519 L1525 | Q1464-Y1523 PolarHBondContact OE1-OH 3.01Å; G1519-Y1523 WeakPolarHBondContact O-CA 3.43Å; G1519-Y1523 PolarHBondContact O-N 3.5Å; Y1523-L1525 HydrophobicContact CD1-CD1 3.74Å; Y1523-L1525 HydrophobicContact CD1-CD2 4.13Å; Y1523-L1525 HydrophobicContact CD1-CG 3.79Å; Y1523-L1525 HydrophobicContact CE1-CD1 3.67Å; Y1523-L1525 HydrophobicContact CE1-CD2 3.76Å; Y1523-L1525 HydrophobicContact CE1-CG 3.86Å; Y1523-L1525 PolarHBondContact O-N 3.1Å |
| 1524 | P | 64.2 | Low | 74.6 | Confident | 51 Ų | 51 | 68.7 Ų | 68.7 | 33% | 0.331 | 36% | 0.363 | S | S | . | . | trans | -66.2 | 123.1 | -178.7 | 29 | -35 | 0 | 0 | 0 | 109.3 | I1461 P1462 F1520 | I1461-P1524 HydrophobicContact CG2-CB 3.92Å; I1461-P1524 WeakPolarHBondContact CG2-O 3.48Å; P1462-P1524 WeakPolarHBondContact CD-O 3.37Å; P1462-P1524 WeakPolarHBondContact CG-O 3.24Å; F1520-P1524 VanDerWaalsContact O-CA 3.26Å; F1520-P1524 WeakPolarHBondContact O-CA 3.18Å; F1520-P1524 WeakPolarHBondContact O-CB 3.32Å | ||
| 1525 | L | 66.7 | Low | 74.2 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | trans | -126.2 | 146.4 | 179 | -68.9 | 178.4 | 0 | 0 | 0 | 111.9 | I1461 P1462 Q1464 Y1523 Y1552 N1553 Q1554 | I1461-L1525 VanDerWaalsContact CG2-C 3.47Å; P1462-L1525 HydrophobicContact CB-CD2 4.29Å; P1462-L1525 HydrophobicContact CG-CD2 4.19Å; P1462-L1525 CarbonylContact O-C 3.59Å; P1462-L1525 WeakPolarHBondContact O-CA 3.26Å; P1462-L1525 VanDerWaalsContact O-CD2 3.32Å; P1462-L1525 WeakPolarHBondContact O-CD2 3.48Å; Q1464-L1525 HydrophobicContact CB-CD1 4.38Å; Q1464-L1525 HydrophobicContact CB-CD2 4.29Å; Y1523-L1525 HydrophobicContact CD1-CD1 3.74Å; Y1523-L1525 HydrophobicContact CD1-CD2 4.13Å; Y1523-L1525 HydrophobicContact CD1-CG 3.79Å; Y1523-L1525 HydrophobicContact CE1-CD1 3.67Å; Y1523-L1525 HydrophobicContact CE1-CD2 3.76Å; Y1523-L1525 HydrophobicContact CE1-CG 3.86Å; Y1523-L1525 PolarHBondContact O-N 3.1Å; L1525-Y1552 WeakPolarHBondContact O-CA 3.45Å; L1525-N1553 PolarHBondContact O-N 2.84Å; L1525-Q1554 HydrophobicContact CB-CB 4.03Å; L1525-Q1554 HydrophobicContact CB-CG 4.39Å | ||
| 1526 | K | 67 | Low | 74 | Confident | 52 Ų | 52 | 70.9 Ų | 70.9 | 23% | 0.226 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -111.4 | 160 | 173.6 | 73.9 | 179.7 | 171.8 | -178.9 | 0 | 112.9 | D1460 I1461 P1462 S1463 P1551 Y1552 | D1460-K1526 IonicContact OD1-NZ 3.91Å; D1460-K1526 PolarHBondContact OD1-NZ 3.34Å; D1460-K1526 IonicContact OD2-NZ 2.75Å; D1460-K1526 PolarHBondContact OD2-NZ 3.27Å; I1461-K1526 HydrophobicContact CB-CB 4.41Å; I1461-K1526 HydrophobicContact CG2-CB 4.27Å; I1461-K1526 WeakPolarHBondContact O-CD 3.39Å; I1461-K1526 WeakPolarHBondContact O-CE 3.48Å; I1461-K1526 VanDerWaalsContact O-CG 3.26Å; I1461-K1526 WeakPolarHBondContact O-CG 3.44Å; P1462-K1526 PolarHBondContact O-N 3.17Å; S1463-K1526 VanDerWaalsContact CB-O 3.3Å; S1463-K1526 WeakPolarHBondContact CB-O 3.19Å; K1526-P1551 VanDerWaalsContact CA-O 3.31Å; K1526-P1551 WeakPolarHBondContact CA-O 3.4Å; K1526-Y1552 HydrophobicContact CB-CD1 3.93Å; K1526-Y1552 HydrophobicContact CB-CE1 4.43Å |
| 1527 | F | 66.6 | Low | 73.7 | Confident | 43 Ų | 43 | 76.2 Ų | 76.2 | 19% | 0.189 | 43% | 0.428 | C | S | . | . | trans | -59.2 | 140.6 | 169 | -60.5 | -39.4 | 0 | 0 | 0 | 112 | P1551 Q1554 Q1598 | F1527-P1551 VanDerWaalsContact CD2-CA 3.42Å; F1527-P1551 HydrophobicContact CD2-CB 3.17Å; F1527-P1551 HydrophobicContact CE2-CB 3.38Å; F1527-P1551 HydrophobicContact CG-CB 4.11Å; F1527-P1551 HydrophobicContact CZ-CB 4.41Å; F1527-P1551 PolarHBondContact N-O 2.98Å; F1527-P1551 VanDerWaalsContact N-O 3.12Å; F1527-Q1554 HydrophobicContact CD1-CG 4.31Å; F1527-Q1554 HydrophobicContact CE1-CG 4.43Å; F1527-Q1554 VanDerWaalsContact CE1-OE1 3.28Å; F1527-Q1598 WeakPolarHBondContact CE1-O 3.45Å | ||
| 1528 | S | 67.1 | Low | 73.8 | Confident | 48 Ų | 48 | 75 Ų | 75 | 34% | 0.336 | 42% | 0.419 | S | S | . | . | trans | -100.6 | -25.3 | 170.2 | 82.3 | 0 | 0 | 0 | 0 | 114 | V1465 H1600 | V1465-S1528 WeakPolarHBondContact CG2-OG 3.22Å; S1528-H1600 PolarHBondContact N-NE2 2.79Å; S1528-H1600 PolarHBondContact OG-CE1 3.04Å; S1528-H1600 PolarHBondContact OG-NE2 3.08Å | ||
| 1529 | F | 73.3 | Confident | 73.9 | Confident | 48 Ų | 48 | 72.8 Ų | 72.8 | 21% | 0.211 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -94 | 128.9 | -173.6 | -61.1 | -34.9 | 0 | 0 | 0 | 111.3 | V1465 E1469 T1470 R1531 W1597 H1600 | V1465-F1529 HydrophobicContact CG1-CE1 4.13Å; V1465-F1529 HydrophobicContact CG1-CE2 4.35Å; V1465-F1529 HydrophobicContact CG1-CZ 3.62Å; E1469-F1529 HydrophobicContact CB-CE2 4.08Å; E1469-F1529 HydrophobicContact CB-CZ 3.92Å; T1470-F1529 HydrophobicContact CG2-CE1 3.76Å; T1470-F1529 HydrophobicContact CG2-CZ 4.01Å; F1529-R1531 PolarHBondContact O-N 2.9Å; F1529-W1597 HydrophobicContact CB-CB 4.45Å; F1529-W1597 HydrophobicContact CB-CD2 4.21Å; F1529-W1597 HydrophobicContact CB-CE3 3.98Å; F1529-W1597 HydrophobicContact CB-CG 4.45Å; F1529-W1597 HydrophobicContact CD2-CD2 4.49Å; F1529-W1597 HydrophobicContact CD2-CG 4.28Å; F1529-H1600 AromaticContact CD2-CE1 3.67Å; F1529-H1600 AromaticContact CE2-CE1 3.58Å; F1529-H1600 AromaticContact CE2-ND1 3.81Å |
| 1530 | I | 68.9 | Low | 74.1 | Confident | 157 Ų | 157 | 79.1 Ų | 79.1 | 81% | 0.805 | 43% | 0.426 | S | S | * | . | trans | -79.6 | 115.8 | 174.8 | -58.6 | 173.2 | 0 | 0 | 0 | 108.4 | W1597 | I1530-W1597 WeakPolarHBondContact O-CZ3 3.45Š| ||
| 1531 | R | 75.3 | Confident | 74.2 | Confident | 52 Ų | 52 | 78.9 Ų | 78.9 | 20% | 0.196 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 135.3 | 178.3 | -171.5 | -178.4 | -66.5 | 151.1 | 3.3 | 111.3 | F1474 F1529 F1542 E1546 | F1474-R1531 HydrophobicContact CD2-CG 4.46Å; F1474-R1531 HydrophobicContact CE1-CG 4.31Å; F1474-R1531 HydrophobicContact CE2-CG 3.61Å; F1474-R1531 HydrophobicContact CZ-CG 3.51Å; F1529-R1531 PolarHBondContact O-N 2.9Å; R1531-F1542 VanDerWaalsContact CZ-CE1 3.49Å; R1531-E1546 IonicContact NH1-OE1 3.52Å; R1531-E1546 PolarHBondContact NH1-OE1 2.97Å |
| 1532 | P | 75.5 | Confident | 74.9 | Confident | 60 Ų | 60 | 72.2 Ų | 72.2 | 39% | 0.39 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 149.9 | 171.8 | -17.6 | 31.4 | 0 | 0 | 0 | 111.7 | F1474 V1534 W1597 | F1474-P1532 HydrophobicContact CB-CG 4.43Å; F1474-P1532 HydrophobicContact CD1-CB 4.29Å; F1474-P1532 HydrophobicContact CD1-CG 3.65Å; F1474-P1532 HydrophobicContact CE1-CB 4.33Å; F1474-P1532 HydrophobicContact CE1-CG 4.07Å; F1474-P1532 HydrophobicContact CG-CG 4.12Å; P1532-V1534 WeakPolarHBondContact O-CG2 3.43Å; P1532-V1534 PolarHBondContact O-N 2.81Å; P1532-W1597 HydrophobicContact CG-CH2 4.48Å; P1532-W1597 HydrophobicContact CG-CZ3 4.05Å |
| 1533 | E | 74.1 | Confident | 75.3 | Confident | 205 Ų | 205 | 67.7 Ų | 67.7 | 96% | 0.958 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 130.6 | 171.9 | -75.7 | -169.5 | 161.2 | 0 | 0 | 111.2 | ||
| 1534 | V | 80.3 | Confident | 75.7 | Confident | 38 Ų | 38 | 65.6 Ų | 65.6 | 23% | 0.23 | 37% | 0.365 | C | S | . | . | trans | -121.4 | 130.6 | 179.6 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | F1474 P1476 P1532 T1538 G1539 F1542 | F1474-V1534 HydrophobicContact CE1-CG2 3.49Å; F1474-V1534 VanDerWaalsContact CE1-CG2 3.49Å; F1474-V1534 HydrophobicContact CZ-CG2 3.7Å; P1476-V1534 HydrophobicContact CB-CG1 3.76Å; P1476-V1534 HydrophobicContact CB-CG2 4.22Å; P1476-V1534 HydrophobicContact CG-CG1 4.3Å; P1476-V1534 HydrophobicContact CG-CG2 4.23Å; P1532-V1534 WeakPolarHBondContact O-CG2 3.43Å; P1532-V1534 PolarHBondContact O-N 2.81Å; V1534-T1538 VanDerWaalsContact CG1-OG1 3.28Å; V1534-T1538 WeakPolarHBondContact CG1-OG1 3.45Å; V1534-G1539 VanDerWaalsContact O-CA 3.22Å; V1534-G1539 WeakPolarHBondContact O-CA 3.3Å; V1534-F1542 HydrophobicContact CB-CD2 4.35Å; V1534-F1542 HydrophobicContact CG1-CD2 4.49Å; V1534-F1542 HydrophobicContact CG2-CD2 4.23Å; V1534-F1542 HydrophobicContact CG2-CE2 4.24Å | ||
| 1535 | S | 76.5 | Confident | 76.3 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 75% | 0.748 | 35% | 0.349 | S | S | * | . | trans | -103.2 | 170.6 | 176.3 | 58.8 | 0 | 0 | 0 | 0 | 112.4 | T1538 | S1535-T1538 PolarHBondContact O-OG1 2.87Š| ||
| 1536 | G | 83.9 | Confident | 76.5 | Confident | 61 Ų | 61 | 68.1 Ų | 68.1 | 63% | 0.629 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | 76.8 | -156.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1538 G1539 W1540 | G1536-T1538 VanDerWaalsContact C-N 3.32Å; G1536-T1538 PolarHBondContact O-N 2.71Å; G1536-G1539 PolarHBondContact O-N 3.41Å; G1536-W1540 PolarHBondContact O-N 3.25Å |
| 1537 | V | 79.6 | Confident | 76.1 | Confident | 112 Ų | 112 | 71.8 Ų | 71.8 | 68% | 0.679 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.1 | -38.3 | -176.8 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | W1540 L1541 | V1537-W1540 PolarHBondContact O-N 2.63Å; V1537-L1541 HydrophobicContact CG1-CD1 4.45Å; V1537-L1541 WeakPolarHBondContact O-CG 3.43Å; V1537-L1541 PolarHBondContact O-N 3.35Å |
| 1538 | T | 84.7 | Confident | 75.9 | Confident | 34 Ų | 34 | 75.3 Ų | 75.3 | 21% | 0.209 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66 | -39.8 | 176 | 46 | 0 | 0 | 0 | 0 | 111.8 | I1479 V1534 S1535 G1536 L1541 F1542 | I1479-T1538 HydrophobicContact CG2-CG2 3.97Å; V1534-T1538 VanDerWaalsContact CG1-OG1 3.28Å; V1534-T1538 WeakPolarHBondContact CG1-OG1 3.45Å; S1535-T1538 PolarHBondContact O-OG1 2.87Å; G1536-T1538 VanDerWaalsContact C-N 3.32Å; G1536-T1538 PolarHBondContact O-N 2.71Å; T1538-L1541 PolarHBondContact O-N 2.85Å; T1538-F1542 WeakPolarHBondContact O-CD2 3.44Å; T1538-F1542 PolarHBondContact O-N 3.42Å |
| 1539 | G | 80.3 | Confident | 75.9 | Confident | 14 Ų | 14 | 74.6 Ų | 74.6 | 14% | 0.144 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1534 G1536 F1542 S1543 | V1534-G1539 VanDerWaalsContact O-CA 3.22Å; V1534-G1539 WeakPolarHBondContact O-CA 3.3Å; G1536-G1539 PolarHBondContact O-N 3.41Å; G1539-F1542 PolarHBondContact O-N 3.37Å; G1539-S1543 PolarHBondContact O-N 3.47Å |
| 1540 | W | 83.4 | Confident | 75.4 | Confident | 149 Ų | 149 | 77.2 Ų | 77.2 | 56% | 0.564 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.6 | -47.4 | 172.9 | -178.1 | 81.4 | 0 | 0 | 0 | 111.7 | G1536 V1537 F1542 S1543 Q1544 | G1536-W1540 PolarHBondContact O-N 3.25Å; V1537-W1540 PolarHBondContact O-N 2.63Å; W1540-F1542 PolarHBondContact O-N 3.31Å; W1540-S1543 PolarHBondContact O-N 2.95Å; W1540-S1543 VanDerWaalsContact O-N 3.15Å; W1540-S1543 PolarHBondContact O-OG 3.44Å; W1540-Q1544 HydrophobicContact CD2-CG 4.04Å; W1540-Q1544 HydrophobicContact CE3-CG 4.27Å; W1540-Q1544 HydrophobicContact CH2-CG 3.99Å; W1540-Q1544 HydrophobicContact CZ2-CG 3.73Å; W1540-Q1544 HydrophobicContact CZ3-CG 4.25Å; W1540-Q1544 WeakPolarHBondContact O-CG 3.31Å; W1540-Q1544 PolarHBondContact O-N 3.02Å |
| 1541 | L | 83.6 | Confident | 75 | Confident | 22 Ų | 22 | 72 Ų | 72 | 12% | 0.115 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 177 | -73.7 | 170 | 0 | 0 | 0 | 113.2 | I1479 V1480 W1483 V1537 T1538 Q1544 L1545 | I1479-L1541 HydrophobicContact CG1-CB 3.95Å; I1479-L1541 HydrophobicContact CG2-CB 4.15Å; I1479-L1541 HydrophobicContact CG2-CD1 3.86Å; V1480-L1541 HydrophobicContact CG2-CD1 4.2Å; W1483-L1541 HydrophobicContact CD2-CD2 4.07Å; W1483-L1541 HydrophobicContact CE3-CD2 4.38Å; W1483-L1541 HydrophobicContact CG-CD2 4.42Å; W1483-L1541 HydrophobicContact CZ2-CD2 4.47Å; W1483-L1541 PolarHBondContact NE1-O 2.98Å; V1537-L1541 HydrophobicContact CG1-CD1 4.45Å; V1537-L1541 WeakPolarHBondContact O-CG 3.43Å; V1537-L1541 PolarHBondContact O-N 3.35Å; T1538-L1541 PolarHBondContact O-N 2.85Å; L1541-Q1544 PolarHBondContact O-N 3.15Å; L1541-L1545 WeakPolarHBondContact O-CB 3.49Å; L1541-L1545 PolarHBondContact O-N 3.19Å |
| 1542 | F | 83.2 | Confident | 74.2 | Confident | 6 Ų | 6 | 74.9 Ų | 74.9 | 3% | 0.026 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 173.5 | -81.5 | -63.7 | 0 | 0 | 0 | 112.3 | F1474 P1476 I1479 R1531 V1534 T1538 G1539 W1540 Q1544 L1545 E1546 T1596 | F1474-F1542 HydrophobicContact CE2-CE1 4.49Å; F1474-F1542 HydrophobicContact CE2-CE2 4.37Å; F1474-F1542 AromaticContact CE2-CZ 3.83Å; F1474-F1542 HydrophobicContact CE2-CZ 3.83Å; F1474-F1542 AromaticContact CZ-CE2 3.82Å; F1474-F1542 HydrophobicContact CZ-CE2 3.82Å; F1474-F1542 AromaticContact CZ-CZ 3.74Å; F1474-F1542 HydrophobicContact CZ-CZ 3.74Å; P1476-F1542 HydrophobicContact CB-CE2 4.38Å; I1479-F1542 HydrophobicContact CB-CE1 4.44Å; I1479-F1542 HydrophobicContact CB-CE2 4.1Å; I1479-F1542 HydrophobicContact CB-CZ 4.04Å; I1479-F1542 HydrophobicContact CD1-CD1 3.72Å; I1479-F1542 HydrophobicContact CD1-CE1 3.53Å; I1479-F1542 HydrophobicContact CD1-CG 4.38Å; I1479-F1542 HydrophobicContact CD1-CZ 4Å; I1479-F1542 HydrophobicContact CG1-CD1 4.16Å; I1479-F1542 HydrophobicContact CG1-CD2 4.41Å; I1479-F1542 HydrophobicContact CG1-CE1 4.11Å; I1479-F1542 HydrophobicContact CG1-CE2 4.31Å; I1479-F1542 HydrophobicContact CG1-CG 4.35Å; I1479-F1542 HydrophobicContact CG1-CZ 4.18Å; R1531-F1542 VanDerWaalsContact CZ-CE1 3.49Å; V1534-F1542 HydrophobicContact CB-CD2 4.35Å; V1534-F1542 HydrophobicContact CG1-CD2 4.49Å; V1534-F1542 HydrophobicContact CG2-CD2 4.23Å; V1534-F1542 HydrophobicContact CG2-CE2 4.24Å; T1538-F1542 WeakPolarHBondContact O-CD2 3.44Å; T1538-F1542 PolarHBondContact O-N 3.42Å; G1539-F1542 PolarHBondContact O-N 3.37Å; W1540-F1542 PolarHBondContact O-N 3.31Å; F1542-Q1544 VanDerWaalsContact C-N 3.28Å; F1542-Q1544 PolarHBondContact O-N 2.96Å; F1542-L1545 WeakPolarHBondContact O-CB 3.24Å; F1542-L1545 PolarHBondContact O-N 3.4Å; F1542-L1545 VanDerWaalsContact O-N 3.17Å; F1542-E1546 PolarHBondContact O-N 3.17Å; F1542-E1546 VanDerWaalsContact O-N 3.07Å; F1542-T1596 HydrophobicContact CE1-CG2 4.26Å; F1542-T1596 HydrophobicContact CZ-CG2 3.98Å |
| 1543 | S | 75.9 | Confident | 73.8 | Confident | 53 Ų | 53 | 75.8 Ų | 75.8 | 37% | 0.371 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.6 | -33.1 | 177 | 74.2 | 0 | 0 | 0 | 0 | 113.1 | G1539 W1540 | G1539-S1543 PolarHBondContact O-N 3.47Å; W1540-S1543 PolarHBondContact O-N 2.95Å; W1540-S1543 VanDerWaalsContact O-N 3.15Å; W1540-S1543 PolarHBondContact O-OG 3.44Å |
| 1544 | Q | 80.3 | Confident | 73.6 | Confident | 61 Ų | 61 | 66.1 Ų | 66.1 | 29% | 0.285 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -72.2 | -40.2 | 174 | -64.1 | -49.5 | -74.1 | 0 | 0 | 111.1 | W1483 W1540 L1541 F1542 E1546 L1547 F1548 | W1483-Q1544 HydrophobicContact CH2-CB 3.87Å; W1483-Q1544 HydrophobicContact CZ2-CB 3.7Å; W1540-Q1544 HydrophobicContact CD2-CG 4.04Å; W1540-Q1544 HydrophobicContact CE3-CG 4.27Å; W1540-Q1544 HydrophobicContact CH2-CG 3.99Å; W1540-Q1544 HydrophobicContact CZ2-CG 3.73Å; W1540-Q1544 HydrophobicContact CZ3-CG 4.25Å; W1540-Q1544 WeakPolarHBondContact O-CG 3.31Å; W1540-Q1544 PolarHBondContact O-N 3.02Å; L1541-Q1544 PolarHBondContact O-N 3.15Å; F1542-Q1544 VanDerWaalsContact C-N 3.28Å; F1542-Q1544 PolarHBondContact O-N 2.96Å; Q1544-E1546 VanDerWaalsContact C-N 3.31Å; Q1544-E1546 PolarHBondContact O-N 3.35Å; Q1544-L1547 WeakPolarHBondContact O-CB 3.24Å; Q1544-L1547 PolarHBondContact O-N 3.2Å; Q1544-F1548 VanDerWaalsContact O-CD1 3.29Å; Q1544-F1548 WeakPolarHBondContact O-CD1 3.31Å; Q1544-F1548 WeakPolarHBondContact O-CE1 3.45Å |
| 1545 | L | 75.9 | Confident | 73.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.4 | -39 | 179.1 | -174.4 | 58.8 | 0 | 0 | 0 | 111.8 | I1479 Y1482 W1483 L1541 F1542 L1547 F1548 D1549 Q1598 | I1479-L1545 HydrophobicContact CD1-CD2 3.66Å; Y1482-L1545 HydrophobicContact CD1-CD2 4Å; Y1482-L1545 HydrophobicContact CE1-CD1 3.95Å; Y1482-L1545 HydrophobicContact CE1-CD2 3.54Å; Y1482-L1545 HydrophobicContact CE1-CG 4.42Å; W1483-L1545 HydrophobicContact CZ2-CB 4.25Å; L1541-L1545 WeakPolarHBondContact O-CB 3.49Å; L1541-L1545 PolarHBondContact O-N 3.19Å; F1542-L1545 WeakPolarHBondContact O-CB 3.24Å; F1542-L1545 PolarHBondContact O-N 3.4Å; F1542-L1545 VanDerWaalsContact O-N 3.17Å; L1545-L1547 PolarHBondContact O-N 3.29Å; L1545-L1547 VanDerWaalsContact O-N 3.13Å; L1545-F1548 HydrophobicContact CD1-CD2 4.4Å; L1545-F1548 HydrophobicContact CD1-CE2 3.58Å; L1545-F1548 HydrophobicContact CD1-CZ 3.77Å; L1545-F1548 PolarHBondContact O-N 2.74Å; L1545-D1549 HydrophobicContact CD1-CB 3.61Å; L1545-D1549 HydrophobicContact CG-CB 3.96Å; L1545-D1549 WeakPolarHBondContact O-CB 3.31Å; L1545-D1549 PolarHBondContact O-N 3.23Å; L1545-Q1598 HydrophobicContact CD2-CG 4.47Å |
| 1546 | E | 70.2 | Confident | 73.9 | Confident | 109 Ų | 109 | 60.3 Ų | 60.3 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -14.8 | 177.3 | -74.6 | 171.9 | -164.2 | 0 | 0 | 114.5 | R1531 F1542 Q1544 | R1531-E1546 IonicContact NH1-OE1 3.52Å; R1531-E1546 PolarHBondContact NH1-OE1 2.97Å; F1542-E1546 PolarHBondContact O-N 3.17Å; F1542-E1546 VanDerWaalsContact O-N 3.07Å; Q1544-E1546 VanDerWaalsContact C-N 3.31Å; Q1544-E1546 PolarHBondContact O-N 3.35Å |
| 1547 | L | 60 | Low | 74.2 | Confident | 129 Ų | 129 | 57.4 Ų | 57.4 | 68% | 0.675 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -23.2 | 176.4 | -66.5 | 168.8 | 0 | 0 | 0 | 113.2 | Q1544 L1545 | Q1544-L1547 WeakPolarHBondContact O-CB 3.24Å; Q1544-L1547 PolarHBondContact O-N 3.2Å; L1545-L1547 PolarHBondContact O-N 3.29Å; L1545-L1547 VanDerWaalsContact O-N 3.13Å |
| 1548 | F | 62.9 | Low | 74.6 | Confident | 117 Ų | 117 | 54.3 Ų | 54.3 | 51% | 0.513 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.9 | -18.3 | -173.8 | 58 | -94.3 | 0 | 0 | 0 | 114.9 | W1483 Q1544 L1545 | W1483-F1548 AromaticContact CH2-CE1 3.96Å; W1483-F1548 HydrophobicContact CH2-CE1 3.96Å; W1483-F1548 AromaticContact CH2-CZ 3.82Å; W1483-F1548 HydrophobicContact CH2-CZ 3.82Å; W1483-F1548 HydrophobicContact CZ2-CE1 4.04Å; W1483-F1548 AromaticContact CZ2-CZ 3.73Å; W1483-F1548 HydrophobicContact CZ2-CZ 3.73Å; Q1544-F1548 VanDerWaalsContact O-CD1 3.29Å; Q1544-F1548 WeakPolarHBondContact O-CD1 3.31Å; Q1544-F1548 WeakPolarHBondContact O-CE1 3.45Å; L1545-F1548 HydrophobicContact CD1-CD2 4.4Å; L1545-F1548 HydrophobicContact CD1-CE2 3.58Å; L1545-F1548 HydrophobicContact CD1-CZ 3.77Å; L1545-F1548 PolarHBondContact O-N 2.74Å |
| 1549 | D | 65.9 | Low | 74.9 | Confident | 33 Ų | 33 | 53.8 Ų | 53.8 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -108.5 | 88.6 | 173.7 | -161.2 | 17.8 | 0 | 0 | 0 | 108.7 | Y1482 L1545 H1559 | Y1482-D1549 PolarHBondContact OH-OD2 2.9Å; L1545-D1549 HydrophobicContact CD1-CB 3.61Å; L1545-D1549 HydrophobicContact CG-CB 3.96Å; L1545-D1549 WeakPolarHBondContact O-CB 3.31Å; L1545-D1549 PolarHBondContact O-N 3.23Å; D1549-H1559 IonicContact OD1-CE1 2.71Å; D1549-H1559 IonicContact OD2-CE1 2.94Å; D1549-H1559 PolarHBondContact OD2-CE1 2.84Å; D1549-H1559 IonicContact OD2-NE2 3.27Å |
| 1550 | L | 62.7 | Low | 75.5 | Confident | 103 Ų | 103 | 53.3 Ų | 53.3 | 54% | 0.539 | 26% | 0.261 | S | S | . | . | trans | -75.7 | 157.7 | -176.1 | -71.2 | 175.5 | 0 | 0 | 0 | 111.9 | Y1552 | L1550-Y1552 HydrophobicContact CB-CD2 4.27Å; L1550-Y1552 PolarHBondContact O-N 3.27Å | ||
| 1551 | P | 60 | Low | 75.9 | Confident | 46 Ų | 46 | 46.2 Ų | 46.2 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -74.5 | 16.9 | -174 | 31.2 | -36.6 | 0 | 0 | 0 | 116.6 | K1526 F1527 | K1526-P1551 VanDerWaalsContact CA-O 3.31Å; K1526-P1551 WeakPolarHBondContact CA-O 3.4Å; F1527-P1551 VanDerWaalsContact CD2-CA 3.42Å; F1527-P1551 HydrophobicContact CD2-CB 3.17Å; F1527-P1551 HydrophobicContact CE2-CB 3.38Å; F1527-P1551 HydrophobicContact CG-CB 4.11Å; F1527-P1551 HydrophobicContact CZ-CB 4.41Å; F1527-P1551 PolarHBondContact N-O 2.98Å; F1527-P1551 VanDerWaalsContact N-O 3.12Å |
| 1552 | Y | 60 | Low | 76.3 | Confident | 114 Ų | 114 | 45.9 Ų | 45.9 | 45% | 0.447 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -130.2 | 143.5 | -177.2 | -37.2 | -74.9 | 0 | 0 | 0 | 106.9 | I1461 L1525 K1526 L1550 | I1461-Y1552 HydrophobicContact CD1-CD1 3.88Å; I1461-Y1552 HydrophobicContact CD1-CG 4.18Å; L1525-Y1552 WeakPolarHBondContact O-CA 3.45Å; K1526-Y1552 HydrophobicContact CB-CD1 3.93Å; K1526-Y1552 HydrophobicContact CB-CE1 4.43Å; L1550-Y1552 HydrophobicContact CB-CD2 4.27Å; L1550-Y1552 PolarHBondContact O-N 3.27Å |
| 1553 | N | 66.3 | Low | 76.8 | Confident | 78 Ų | 78 | 46 Ų | 46 | 42% | 0.417 | 23% | 0.234 | S | C | . | . | trans | 94.9 | 65.1 | -179.2 | -51.3 | -41.2 | 0 | 0 | 0 | 115.9 | F1520 L1525 | F1520-N1553 HydrophobicContact CB-CB 3.97Å; F1520-N1553 HydrophobicContact CD1-CB 3.77Å; F1520-N1553 HydrophobicContact CD2-CB 3.61Å; F1520-N1553 HydrophobicContact CE1-CB 4.09Å; F1520-N1553 WeakPolarHBondContact CE1-O 3.39Å; F1520-N1553 HydrophobicContact CE2-CB 3.93Å; F1520-N1553 HydrophobicContact CG-CB 3.52Å; F1520-N1553 HydrophobicContact CZ-CB 4.16Å; F1520-N1553 WeakPolarHBondContact CZ-O 3.05Å; L1525-N1553 PolarHBondContact O-N 2.84Å | ||
| 1554 | Q | 69.3 | Low | 77.7 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | trans | -94.8 | -50.1 | -171.3 | -63.4 | -65.9 | -67.8 | 0 | 0 | 115.2 | L1525 F1527 P1556 S1557 Q1598 | L1525-Q1554 HydrophobicContact CB-CB 4.03Å; L1525-Q1554 HydrophobicContact CB-CG 4.39Å; F1527-Q1554 HydrophobicContact CD1-CG 4.31Å; F1527-Q1554 HydrophobicContact CE1-CG 4.43Å; F1527-Q1554 VanDerWaalsContact CE1-OE1 3.28Å; Q1554-P1556 CarbonylContact O-C 3.47Å; Q1554-P1556 VanDerWaalsContact O-C 3.24Å; Q1554-S1557 WeakPolarHBondContact O-CA 3.44Å; Q1554-S1557 PolarHBondContact O-N 3.34Å; Q1554-Q1598 PolarHBondContact OE1-O 3.09Å | ||
| 1555 | S | 78.3 | Confident | 78.3 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 8% | 0.077 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -108.6 | 127 | -171.4 | -162 | 0 | 0 | 0 | 0 | 112 | G1519 D1603 T1606 | G1519-S1555 CarbonylContact C-O 3.52Å; S1555-D1603 WeakPolarHBondContact CA-OD1 3.37Å; S1555-D1603 WeakPolarHBondContact CB-OD1 3.38Å; S1555-D1603 PolarHBondContact N-OD1 3.15Å; S1555-T1606 PolarHBondContact OG-OG1 3.43Å |
| 1556 | P | 85.3 | Confident | 79 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 8% | 0.078 | 21% | 0.207 | C | C | . | . | S | Bend | cis | -78.9 | 145.4 | -3.8 | 33.1 | -34 | 0 | 0 | 0 | 112.6 | F1520 Q1554 L1558 I1561 T1606 V1610 | F1520-P1556 WeakPolarHBondContact CE1-O 3.5Å; Q1554-P1556 CarbonylContact O-C 3.47Å; Q1554-P1556 VanDerWaalsContact O-C 3.24Å; P1556-L1558 PolarHBondContact O-N 3.2Å; P1556-I1561 HydrophobicContact CB-CD1 4.18Å; P1556-I1561 HydrophobicContact CG-CD1 4.1Å; P1556-T1606 WeakPolarHBondContact CA-OG1 3.34Å; P1556-V1610 HydrophobicContact CB-CG2 4.06Å; P1556-V1610 HydrophobicContact CG-CG2 4.11Å |
| 1557 | S | 89.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -63.7 | 109.7 | -178.5 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | Q1554 H1559 I1560 I1561 H1599 D1603 | Q1554-S1557 WeakPolarHBondContact O-CA 3.44Å; Q1554-S1557 PolarHBondContact O-N 3.34Å; S1557-H1559 PolarHBondContact O-N 3.49Å; S1557-I1560 PolarHBondContact O-N 2.85Å; S1557-I1560 VanDerWaalsContact O-N 3.08Å; S1557-I1560 WeakPolarHBondContact OG-CG1 3.3Å; S1557-I1560 PolarHBondContact OG-N 3.37Å; S1557-I1561 WeakPolarHBondContact O-CG1 3.47Å; S1557-I1561 PolarHBondContact O-N 2.72Å; S1557-H1599 VanDerWaalsContact CB-ND1 3.3Å; S1557-H1599 WeakPolarHBondContact CB-ND1 3.48Å; S1557-H1599 PolarHBondContact OG-CE1 3.45Å; S1557-H1599 PolarHBondContact OG-ND1 3.38Å; S1557-D1603 WeakPolarHBondContact CB-O 3.45Å; S1557-D1603 PolarHBondContact N-O 3.38Å | ||
| 1558 | L | 89.3 | Confident | 81.6 | Confident | 47 Ų | 47 | 35.4 Ų | 35.4 | 25% | 0.246 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.7 | -38.7 | 174.5 | -179.3 | 60.9 | 0 | 0 | 0 | 111.4 | A1512 A1516 F1520 P1556 I1560 I1561 L1562 | A1512-L1558 HydrophobicContact CB-CD1 4.43Å; A1516-L1558 HydrophobicContact CB-CB 4.15Å; A1516-L1558 HydrophobicContact CB-CD1 3.96Å; F1520-L1558 HydrophobicContact CZ-CB 4.37Å; P1556-L1558 PolarHBondContact O-N 3.2Å; L1558-I1560 VanDerWaalsContact C-N 3.31Å; L1558-I1560 PolarHBondContact O-N 3.38Å; L1558-I1561 PolarHBondContact O-N 3.05Å; L1558-L1562 HydrophobicContact CD1-CD1 4.27Å; L1558-L1562 HydrophobicContact CD1-CG 4.08Å; L1558-L1562 HydrophobicContact CG-CD1 4.05Å; L1558-L1562 HydrophobicContact CG-CG 4.29Å; L1558-L1562 WeakPolarHBondContact O-CB 3.22Å; L1558-L1562 VanDerWaalsContact O-CG 3.31Å; L1558-L1562 WeakPolarHBondContact O-CG 3.46Å; L1558-L1562 PolarHBondContact O-N 3.34Å |
| 1559 | H | 90.3 | Very high | 82.9 | Confident | 23 Ų | 23 | 30.2 Ų | 30.2 | 11% | 0.106 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.4 | -42.5 | 176.4 | -67.4 | 86.8 | 0 | 0 | 0 | 111.8 | Y1482 L1485 D1549 S1557 C1563 T1593 H1599 | Y1482-H1559 AromaticContact CE1-NE2 3.72Å; Y1482-H1559 AromaticContact CZ-CD2 3.64Å; Y1482-H1559 AromaticContact CZ-CE1 3.9Å; Y1482-H1559 AromaticContact CZ-NE2 3.5Å; Y1482-H1559 PolarHBondContact OH-CE1 2.91Å; Y1482-H1559 PolarHBondContact OH-NE2 3.06Å; Y1482-H1559 VanDerWaalsContact OH-NE2 3.16Å; L1485-H1559 HydrophobicContact CD2-CB 3.88Å; L1485-H1559 VanDerWaalsContact CD2-O 3.26Å; L1485-H1559 WeakPolarHBondContact CD2-O 3.38Å; D1549-H1559 IonicContact OD1-CE1 2.71Å; D1549-H1559 IonicContact OD2-CE1 2.94Å; D1549-H1559 PolarHBondContact OD2-CE1 2.84Å; D1549-H1559 IonicContact OD2-NE2 3.27Å; S1557-H1559 PolarHBondContact O-N 3.49Å; H1559-C1563 WeakPolarHBondContact O-CB 3.49Å; H1559-C1563 PolarHBondContact O-N 2.99Å; H1559-T1593 HydrophobicContact CB-CG2 4.28Å; H1559-H1599 AromaticContact ND1-NE2 3.48Å; H1559-H1599 PolarHBondContact ND1-NE2 3.28Å |
| 1560 | I | 92.7 | Very high | 84.1 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -75 | -36.4 | 179.4 | -61.1 | -67 | 0 | 0 | 0 | 111.8 | S1557 L1558 C1563 W1564 A1590 T1593 V1604 L1608 | S1557-I1560 PolarHBondContact O-N 2.85Å; S1557-I1560 VanDerWaalsContact O-N 3.08Å; S1557-I1560 WeakPolarHBondContact OG-CG1 3.3Å; S1557-I1560 PolarHBondContact OG-N 3.37Å; L1558-I1560 VanDerWaalsContact C-N 3.31Å; L1558-I1560 PolarHBondContact O-N 3.38Å; I1560-C1563 PolarHBondContact O-N 3.09Å; I1560-W1564 PolarHBondContact O-N 2.86Å; I1560-A1590 HydrophobicContact CD1-CB 3.86Å; I1560-T1593 HydrophobicContact CD1-CG2 3.86Å; I1560-T1593 HydrophobicContact CG1-CG2 4.37Å; I1560-V1604 HydrophobicContact CD1-CG1 4.13Å; I1560-V1604 HydrophobicContact CD1-CG2 4.32Å; I1560-V1604 HydrophobicContact CG1-CB 4.38Å; I1560-V1604 HydrophobicContact CG1-CG1 4.25Å; I1560-V1604 HydrophobicContact CG1-CG2 4.17Å; I1560-V1604 HydrophobicContact CG2-CG1 4.4Å; I1560-L1608 HydrophobicContact CG2-CB 3.97Å |
| 1561 | I | 92.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.2 | -52.3 | 172.8 | -64 | 165.1 | 0 | 0 | 0 | 109.9 | A1512 A1516 P1556 S1557 L1558 W1564 L1565 G1607 V1610 I1614 | A1512-I1561 HydrophobicContact CB-CG2 3.46Å; A1512-I1561 VanDerWaalsContact CB-CG2 3.46Å; A1516-I1561 HydrophobicContact CB-CD1 4.21Å; P1556-I1561 HydrophobicContact CB-CD1 4.18Å; P1556-I1561 HydrophobicContact CG-CD1 4.1Å; S1557-I1561 WeakPolarHBondContact O-CG1 3.47Å; S1557-I1561 PolarHBondContact O-N 2.72Å; L1558-I1561 PolarHBondContact O-N 3.05Å; I1561-W1564 PolarHBondContact O-N 2.86Å; I1561-L1565 HydrophobicContact CG2-CD1 3.97Å; I1561-L1565 WeakPolarHBondContact O-CG 3.46Å; I1561-L1565 PolarHBondContact O-N 3.47Å; I1561-L1565 VanDerWaalsContact O-N 3.14Å; I1561-G1607 WeakPolarHBondContact CG1-O 3.44Å; I1561-V1610 HydrophobicContact CD1-CB 3.92Å; I1561-V1610 HydrophobicContact CD1-CG1 3.48Å; I1561-V1610 VanDerWaalsContact CD1-CG1 3.48Å; I1561-V1610 HydrophobicContact CG1-CB 3.94Å; I1561-V1610 HydrophobicContact CG1-CG1 3.81Å; I1561-V1610 HydrophobicContact CG2-CG1 4.37Å; I1561-I1614 HydrophobicContact CG2-CD1 3.82Å |
| 1562 | L | 92.4 | Very high | 86.4 | Confident | 14 Ų | 14 | 30.8 Ų | 30.8 | 7% | 0.073 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 178 | -69.1 | 179.4 | 0 | 0 | 0 | 111.4 | L1485 Y1489 L1509 A1512 L1558 W1564 L1565 L1566 | L1485-L1562 HydrophobicContact CD1-CB 4.31Å; L1485-L1562 HydrophobicContact CD2-CB 4.18Å; L1485-L1562 HydrophobicContact CG-CB 4.48Å; Y1489-L1562 HydrophobicContact CD2-CD1 4.05Å; Y1489-L1562 HydrophobicContact CD2-CD2 3.91Å; Y1489-L1562 HydrophobicContact CE2-CD1 4.48Å; Y1489-L1562 HydrophobicContact CE2-CD2 4.03Å; L1509-L1562 HydrophobicContact CD2-CD2 3.64Å; A1512-L1562 HydrophobicContact CB-CD2 4.46Å; L1558-L1562 HydrophobicContact CD1-CD1 4.27Å; L1558-L1562 HydrophobicContact CD1-CG 4.08Å; L1558-L1562 HydrophobicContact CG-CD1 4.05Å; L1558-L1562 HydrophobicContact CG-CG 4.29Å; L1558-L1562 WeakPolarHBondContact O-CB 3.22Å; L1558-L1562 VanDerWaalsContact O-CG 3.31Å; L1558-L1562 WeakPolarHBondContact O-CG 3.46Å; L1558-L1562 PolarHBondContact O-N 3.34Å; L1562-W1564 VanDerWaalsContact C-N 3.32Å; L1562-W1564 PolarHBondContact O-N 3.21Å; L1562-L1565 PolarHBondContact O-N 3.38Å; L1562-L1566 HydrophobicContact CB-CD1 4.44Å; L1562-L1566 VanDerWaalsContact O-CB 3.23Å; L1562-L1566 WeakPolarHBondContact O-CB 3.22Å; L1562-L1566 WeakPolarHBondContact O-CG 3.28Å; L1562-L1566 PolarHBondContact O-N 3.25Å |
| 1563 | C | 93.8 | Very high | 87.6 | Confident | 9 Ų | 9 | 28.9 Ų | 28.9 | 6% | 0.061 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54.6 | -45.6 | 176.6 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | L1485 H1559 I1560 W1567 F1586 | L1485-C1563 HydrophobicContact CD1-CB 4.22Å; H1559-C1563 WeakPolarHBondContact O-CB 3.49Å; H1559-C1563 PolarHBondContact O-N 2.99Å; I1560-C1563 PolarHBondContact O-N 3.09Å; C1563-W1567 WeakPolarHBondContact O-CB 3.2Å; C1563-W1567 PolarHBondContact O-N 3.09Å; C1563-F1586 HydrophobicContact CB-CD1 4.5Å; C1563-F1586 VanDerWaalsContact O-CD1 3.3Å; C1563-F1586 WeakPolarHBondContact O-CD1 3.43Å; C1563-F1586 PolarHBondContact SG-O 2.91Å |
| 1564 | W | 94 | Very high | 88.5 | Confident | 21 Ų | 21 | 27.6 Ų | 27.6 | 8% | 0.08 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64 | -50 | 176.4 | 175.5 | -94 | 0 | 0 | 0 | 112.8 | I1560 I1561 L1562 W1567 R1568 L1608 G1611 M1612 P1697 A1698 | I1560-W1564 PolarHBondContact O-N 2.86Å; I1561-W1564 PolarHBondContact O-N 2.86Å; L1562-W1564 VanDerWaalsContact C-N 3.32Å; L1562-W1564 PolarHBondContact O-N 3.21Å; W1564-W1567 HydrophobicContact CE3-CE3 4.07Å; W1564-W1567 AromaticContact CE3-CZ3 3.99Å; W1564-W1567 HydrophobicContact CE3-CZ3 3.99Å; W1564-W1567 HydrophobicContact CH2-CZ3 4.05Å; W1564-W1567 HydrophobicContact CZ3-CE3 4.16Å; W1564-W1567 AromaticContact CZ3-CZ3 3.61Å; W1564-W1567 HydrophobicContact CZ3-CZ3 3.61Å; W1564-W1567 PolarHBondContact O-N 3.48Å; W1564-R1568 VanDerWaalsContact O-CG 3.3Å; W1564-R1568 WeakPolarHBondContact O-CG 3.37Å; W1564-R1568 PolarHBondContact O-N 3.25Å; W1564-R1568 VanDerWaalsContact O-N 3.15Å; W1564-L1608 HydrophobicContact CB-CD1 4.35Å; W1564-L1608 HydrophobicContact CD2-CD1 4.09Å; W1564-L1608 HydrophobicContact CE3-CD1 3.49Å; W1564-L1608 VanDerWaalsContact CE3-CD1 3.49Å; W1564-L1608 HydrophobicContact CG-CD1 4.46Å; W1564-L1608 HydrophobicContact CZ3-CD1 4.12Å; W1564-G1611 PolarHBondContact NE1-O 2.93Å; W1564-M1612 HydrophobicContact CD2-CG 4.05Å; W1564-M1612 HydrophobicContact CE3-CE 4.08Å; W1564-M1612 HydrophobicContact CE3-CG 4.39Å; W1564-M1612 HydrophobicContact CH2-CE 3.54Å; W1564-M1612 HydrophobicContact CH2-CG 3.97Å; W1564-M1612 HydrophobicContact CH2-SD 4.45Å; W1564-M1612 HydrophobicContact CZ2-CE 4.18Å; W1564-M1612 HydrophobicContact CZ2-CG 3.59Å; W1564-M1612 HydrophobicContact CZ3-CE 3.47Å; W1564-M1612 VanDerWaalsContact CZ3-CE 3.47Å; W1564-M1612 HydrophobicContact CZ3-CG 4.34Å; W1564-P1697 HydrophobicContact CH2-CB 4.14Å; W1564-P1697 HydrophobicContact CZ2-CB 4.32Å; W1564-A1698 HydrophobicContact CZ2-CB 4.27Å |
| 1565 | L | 91.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.4 | -44.2 | -175.4 | -66.6 | 173.3 | 0 | 0 | 0 | 112.1 | R1508 A1512 I1561 L1562 R1568 H1569 I1614 D1615 | R1508-L1565 HydrophobicContact CB-CD1 4.27Å; R1508-L1565 HydrophobicContact CB-CD2 4.46Å; A1512-L1565 HydrophobicContact CB-CD1 4.03Å; I1561-L1565 HydrophobicContact CG2-CD1 3.97Å; I1561-L1565 WeakPolarHBondContact O-CG 3.46Å; I1561-L1565 PolarHBondContact O-N 3.47Å; I1561-L1565 VanDerWaalsContact O-N 3.14Å; L1562-L1565 PolarHBondContact O-N 3.38Å; L1565-R1568 PolarHBondContact O-N 3Å; L1565-H1569 WeakPolarHBondContact O-CB 3.21Å; L1565-H1569 PolarHBondContact O-N 3.09Å; L1565-I1614 HydrophobicContact CD1-CB 4.48Å; L1565-I1614 HydrophobicContact CD1-CD1 4.49Å; L1565-I1614 HydrophobicContact CD1-CG2 3.92Å; L1565-I1614 HydrophobicContact CD2-CB 4.24Å; L1565-I1614 HydrophobicContact CD2-CG2 3.87Å; L1565-D1615 HydrophobicContact CD2-CB 4.19Å |
| 1566 | L | 92.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.8 | -40.5 | 178.3 | -65 | -179.9 | 0 | 0 | 0 | 111.2 | L1485 L1488 S1492 L1562 R1568 H1569 F1570 F1586 | L1485-L1566 HydrophobicContact CD1-CD1 3.89Å; L1488-L1566 HydrophobicContact CB-CD1 4.35Å; S1492-L1566 VanDerWaalsContact CB-CD2 3.43Å; L1562-L1566 HydrophobicContact CB-CD1 4.44Å; L1562-L1566 VanDerWaalsContact O-CB 3.23Å; L1562-L1566 WeakPolarHBondContact O-CB 3.22Å; L1562-L1566 WeakPolarHBondContact O-CG 3.28Å; L1562-L1566 PolarHBondContact O-N 3.25Å; L1566-R1568 VanDerWaalsContact C-N 3.28Å; L1566-R1568 PolarHBondContact O-N 3.43Å; L1566-H1569 PolarHBondContact O-N 2.86Å; L1566-H1569 VanDerWaalsContact O-N 3.12Å; L1566-F1570 HydrophobicContact CB-CD2 4.3Å; L1566-F1570 HydrophobicContact CB-CE2 4.39Å; L1566-F1570 VanDerWaalsContact O-CD2 3.26Å; L1566-F1570 WeakPolarHBondContact O-CD2 3.37Å; L1566-F1570 PolarHBondContact O-N 2.93Å; L1566-F1586 HydrophobicContact CB-CE1 3.65Å; L1566-F1586 HydrophobicContact CB-CZ 3.75Å |
| 1567 | W | 93.5 | Very high | 89 | Confident | 53 Ų | 53 | 45.7 Ų | 45.7 | 20% | 0.201 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.6 | -45.5 | 173.5 | 172.5 | 52.5 | 0 | 0 | 0 | 111.9 | C1563 W1564 R1571 F1586 | C1563-W1567 WeakPolarHBondContact O-CB 3.2Å; C1563-W1567 PolarHBondContact O-N 3.09Å; W1564-W1567 HydrophobicContact CE3-CE3 4.07Å; W1564-W1567 AromaticContact CE3-CZ3 3.99Å; W1564-W1567 HydrophobicContact CE3-CZ3 3.99Å; W1564-W1567 HydrophobicContact CH2-CZ3 4.05Å; W1564-W1567 HydrophobicContact CZ3-CE3 4.16Å; W1564-W1567 AromaticContact CZ3-CZ3 3.61Å; W1564-W1567 HydrophobicContact CZ3-CZ3 3.61Å; W1564-W1567 PolarHBondContact O-N 3.48Å; W1567-R1571 VanDerWaalsContact CZ2-NH1 3.3Å; W1567-R1571 WeakPolarHBondContact O-CB 3.44Å; W1567-R1571 PolarHBondContact O-N 3.23Å; W1567-F1586 HydrophobicContact CB-CB 3.92Å; W1567-F1586 HydrophobicContact CB-CD1 3.83Å; W1567-F1586 HydrophobicContact CB-CD2 3.75Å; W1567-F1586 HydrophobicContact CB-CE1 4.25Å; W1567-F1586 HydrophobicContact CB-CE2 4.19Å; W1567-F1586 HydrophobicContact CB-CG 3.56Å; W1567-F1586 HydrophobicContact CB-CZ 4.42Å; W1567-F1586 AromaticContact CD1-CD2 3.73Å; W1567-F1586 HydrophobicContact CG-CB 4.08Å; W1567-F1586 HydrophobicContact CG-CD2 4.12Å; W1567-F1586 HydrophobicContact CG-CG 4.1Å |
| 1568 | R | 90.1 | Very high | 88.9 | Confident | 55 Ų | 55 | 52 Ų | 52 | 21% | 0.208 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.8 | -43.7 | 176.7 | -69.3 | -79.4 | -71.1 | 135 | 9.2 | 111.3 | W1564 L1565 L1566 Q1572 D1615 | W1564-R1568 VanDerWaalsContact O-CG 3.3Å; W1564-R1568 WeakPolarHBondContact O-CG 3.37Å; W1564-R1568 PolarHBondContact O-N 3.25Å; W1564-R1568 VanDerWaalsContact O-N 3.15Å; L1565-R1568 PolarHBondContact O-N 3Å; L1566-R1568 VanDerWaalsContact C-N 3.28Å; L1566-R1568 PolarHBondContact O-N 3.43Å; R1568-Q1572 PolarHBondContact O-N 2.91Å; R1568-D1615 IonicContact CZ-OD2 2.76Å; R1568-D1615 IonicContact NE-OD1 2.63Å; R1568-D1615 IonicContact NE-OD2 3.1Å; R1568-D1615 PolarHBondContact NE-OD2 3.26Å; R1568-D1615 IonicContact NH2-OD1 3.41Å; R1568-D1615 IonicContact NH2-OD2 3.01Å |
| 1569 | H | 90 | Very high | 88.8 | Confident | 8 Ų | 8 | 54.7 Ų | 54.7 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.8 | -45.2 | 179.4 | -174.9 | 64.4 | 0 | 0 | 0 | 113.8 | S1492 C1496 E1501 L1505 L1565 L1566 Q1572 H1573 | S1492-H1569 PolarHBondContact O-NE2 3.42Å; C1496-H1569 VanDerWaalsContact SG-CE1 3.56Å; E1501-H1569 IonicContact OE1-CE1 2.87Å; E1501-H1569 PolarHBondContact OE1-CE1 2.86Å; E1501-H1569 IonicContact OE1-ND1 3.04Å; L1505-H1569 HydrophobicContact CD1-CB 4.37Å; L1565-H1569 WeakPolarHBondContact O-CB 3.21Å; L1565-H1569 PolarHBondContact O-N 3.09Å; L1566-H1569 PolarHBondContact O-N 2.86Å; L1566-H1569 VanDerWaalsContact O-N 3.12Å; H1569-Q1572 PolarHBondContact ND1-NE2 3.3Å; H1569-Q1572 VanDerWaalsContact ND1-NE2 3.15Å; H1569-Q1572 WeakPolarHBondContact O-CG 3.49Å; H1569-H1573 PolarHBondContact O-CD2 3.38Å; H1569-H1573 VanDerWaalsContact O-CD2 3.25Å |
| 1570 | F | 90.6 | Very high | 88.6 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.1 | -36.6 | 177.6 | -78.5 | -80.6 | 0 | 0 | 0 | 111.9 | L1488 F1491 V1495 L1566 Q1572 H1573 L1574 F1586 | L1488-F1570 HydrophobicContact CB-CE2 4.02Å; L1488-F1570 HydrophobicContact CB-CZ 4.39Å; L1488-F1570 HydrophobicContact CD2-CD2 4.42Å; L1488-F1570 HydrophobicContact CD2-CE1 4.27Å; L1488-F1570 HydrophobicContact CD2-CE2 3.89Å; L1488-F1570 HydrophobicContact CD2-CZ 3.8Å; L1488-F1570 WeakPolarHBondContact O-CE2 3.36Å; L1488-F1570 WeakPolarHBondContact O-CZ 3.2Å; F1491-F1570 HydrophobicContact CB-CZ 4.15Å; V1495-F1570 HydrophobicContact CG2-CD1 4.31Å; V1495-F1570 HydrophobicContact CG2-CE1 3.73Å; V1495-F1570 HydrophobicContact CG2-CZ 4.47Å; L1566-F1570 HydrophobicContact CB-CD2 4.3Å; L1566-F1570 HydrophobicContact CB-CE2 4.39Å; L1566-F1570 VanDerWaalsContact O-CD2 3.26Å; L1566-F1570 WeakPolarHBondContact O-CD2 3.37Å; L1566-F1570 PolarHBondContact O-N 2.93Å; F1570-Q1572 VanDerWaalsContact C-N 3.28Å; F1570-Q1572 PolarHBondContact O-N 2.93Å; F1570-H1573 PolarHBondContact O-N 3.16Å; F1570-L1574 VanDerWaalsContact O-CG 3.31Å; F1570-L1574 WeakPolarHBondContact O-CG 3.4Å; F1570-L1574 PolarHBondContact O-N 3.13Å; F1570-F1586 HydrophobicContact CB-CE2 4.36Å; F1570-F1586 HydrophobicContact CD2-CE2 4.19Å; F1570-F1586 AromaticContact CD2-CZ 3.84Å; F1570-F1586 HydrophobicContact CD2-CZ 3.84Å; F1570-F1586 HydrophobicContact CE2-CZ 4.43Å |
| 1571 | R | 89 | Confident | 88.5 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 36% | 0.362 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.8 | -31.9 | -177.3 | -176.5 | 178.2 | 179.2 | -170.9 | -0.4 | 113.3 | W1567 R1579 | W1567-R1571 VanDerWaalsContact CZ2-NH1 3.3Å; W1567-R1571 WeakPolarHBondContact O-CB 3.44Å; W1567-R1571 PolarHBondContact O-N 3.23Å; R1571-R1579 HydrophobicContact CG-CB 4.28Å; R1571-R1579 HydrophobicContact CG-CG 4.05Å; R1571-R1579 PolarHBondContact O-NE 2.75Å |
| 1572 | Q | 83.1 | Confident | 88.3 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 34% | 0.336 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.8 | -34 | 177.3 | 52.8 | -178.2 | 17.9 | 0 | 0 | 112.6 | E1501 R1568 H1569 F1570 | E1501-Q1572 PolarHBondContact OE1-NE2 2.79Å; R1568-Q1572 PolarHBondContact O-N 2.91Å; H1569-Q1572 PolarHBondContact ND1-NE2 3.3Å; H1569-Q1572 VanDerWaalsContact ND1-NE2 3.15Å; H1569-Q1572 WeakPolarHBondContact O-CG 3.49Å; F1570-Q1572 VanDerWaalsContact C-N 3.28Å; F1570-Q1572 PolarHBondContact O-N 2.93Å |
| 1573 | H | 84.3 | Confident | 88.2 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 34% | 0.343 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -87.2 | -12.2 | -179.3 | -68.4 | -64.3 | 0 | 0 | 0 | 115.1 | V1495 E1501 H1569 F1570 | V1495-H1573 HydrophobicContact CG1-CB 3.86Å; V1495-H1573 WeakPolarHBondContact CG1-CD2 3.45Å; E1501-H1573 IonicContact OE1-CD2 3.87Å; E1501-H1573 IonicContact OE1-CE1 2.73Å; E1501-H1573 PolarHBondContact OE1-CE1 2.86Å; E1501-H1573 IonicContact OE1-NE2 3.29Å; E1501-H1573 PolarHBondContact OE1-NE2 3.34Å; E1501-H1573 IonicContact OE2-CE1 3.9Å; E1501-H1573 IonicContact OE2-NE2 3.95Å; H1569-H1573 PolarHBondContact O-CD2 3.38Å; H1569-H1573 VanDerWaalsContact O-CD2 3.25Å; F1570-H1573 PolarHBondContact O-N 3.16Å |
| 1574 | L | 85.5 | Confident | 88.1 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 27% | 0.272 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -89.7 | 140.5 | -178.5 | -71.7 | 170.2 | 0 | 0 | 0 | 112.3 | F1570 W1578 R1579 C1582 | F1570-L1574 VanDerWaalsContact O-CG 3.31Å; F1570-L1574 WeakPolarHBondContact O-CG 3.4Å; F1570-L1574 PolarHBondContact O-N 3.13Å; L1574-W1578 HydrophobicContact CB-CB 4.07Å; L1574-W1578 HydrophobicContact CD1-CB 4.45Å; L1574-W1578 HydrophobicContact CD2-CB 3.96Å; L1574-W1578 HydrophobicContact CG-CB 4.39Å; L1574-R1579 HydrophobicContact CB-CG 4.15Å; L1574-R1579 WeakPolarHBondContact O-CG 3.48Å; L1574-R1579 PolarHBondContact O-NE 3.41Å; L1574-R1579 PolarHBondContact O-NH2 3.11Å; L1574-C1582 HydrophobicContact CD1-CB 3.4Å |
| 1575 | A | 81.4 | Confident | 88.1 | Confident | 54 Ų | 54 | 73 Ų | 73 | 45% | 0.446 | 34% | 0.341 | S | S | . | . | trans | -61.1 | 154.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1577 W1578 R1579 | A1575-R1577 HydrophobicContact CB-CG 4.46Å; A1575-R1577 PolarHBondContact O-N 3.07Å; A1575-W1578 PolarHBondContact O-N 3.32Å; A1575-R1579 PolarHBondContact O-N 2.86Å; A1575-R1579 VanDerWaalsContact O-N 3.15Å | ||
| 1576 | E | 78.4 | Confident | 88.2 | Confident | 156 Ų | 156 | 73.4 Ų | 73.4 | 73% | 0.729 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -52.7 | -37.8 | -171.6 | -168.2 | 172.1 | -170.2 | 0 | 0 | 114.2 | W1578 R1579 | E1576-W1578 VanDerWaalsContact C-N 3.34Å; E1576-W1578 PolarHBondContact O-N 3.07Å; E1576-R1579 PolarHBondContact O-N 2.71Å |
| 1577 | R | 83.3 | Confident | 88.2 | Confident | 196 Ų | 196 | 78.6 Ų | 78.6 | 74% | 0.74 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.2 | -38.8 | 174.4 | 65.7 | -179.7 | 177 | 176 | -1.7 | 113.7 | A1575 | A1575-R1577 HydrophobicContact CB-CG 4.46Å; A1575-R1577 PolarHBondContact O-N 3.07Å |
| 1578 | W | 88.2 | Confident | 88.2 | Confident | 132 Ų | 132 | 78.3 Ų | 78.3 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -87.3 | -20.3 | -175.7 | -69.2 | 116.1 | 0 | 0 | 0 | 113 | L1574 A1575 E1576 K1580 V1581 C1582 | L1574-W1578 HydrophobicContact CB-CB 4.07Å; L1574-W1578 HydrophobicContact CD1-CB 4.45Å; L1574-W1578 HydrophobicContact CD2-CB 3.96Å; L1574-W1578 HydrophobicContact CG-CB 4.39Å; A1575-W1578 PolarHBondContact O-N 3.32Å; E1576-W1578 VanDerWaalsContact C-N 3.34Å; E1576-W1578 PolarHBondContact O-N 3.07Å; W1578-K1580 VanDerWaalsContact C-N 3.26Å; W1578-K1580 PolarHBondContact O-N 3.28Å; W1578-V1581 HydrophobicContact CE3-CB 4.3Å; W1578-V1581 HydrophobicContact CE3-CG1 4.48Å; W1578-V1581 HydrophobicContact CE3-CG2 4.25Å; W1578-V1581 PolarHBondContact O-N 3.28Å; W1578-C1582 WeakPolarHBondContact O-CB 3.4Å; W1578-C1582 PolarHBondContact O-N 2.88Å |
| 1579 | R | 87.7 | Confident | 88.4 | Confident | 103 Ų | 103 | 75.8 Ų | 75.8 | 39% | 0.389 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.6 | -34.7 | 177.2 | -68.5 | -179.8 | -177.8 | 169.5 | -4.4 | 112.9 | R1571 L1574 A1575 E1576 G1583 | R1571-R1579 HydrophobicContact CG-CB 4.28Å; R1571-R1579 HydrophobicContact CG-CG 4.05Å; R1571-R1579 PolarHBondContact O-NE 2.75Å; L1574-R1579 HydrophobicContact CB-CG 4.15Å; L1574-R1579 WeakPolarHBondContact O-CG 3.48Å; L1574-R1579 PolarHBondContact O-NE 3.41Å; L1574-R1579 PolarHBondContact O-NH2 3.11Å; A1575-R1579 PolarHBondContact O-N 2.86Å; A1575-R1579 VanDerWaalsContact O-N 3.15Å; E1576-R1579 PolarHBondContact O-N 2.71Å; R1579-G1583 PolarHBondContact O-N 3.25Å |
| 1580 | K | 86 | Confident | 88.5 | Confident | 181 Ų | 181 | 76.6 Ų | 76.6 | 79% | 0.787 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -69.2 | -43.1 | 176.2 | -68 | -176.2 | -177.9 | 176.7 | 0 | 111.8 | W1578 G1583 G1584 | W1578-K1580 VanDerWaalsContact C-N 3.26Å; W1578-K1580 PolarHBondContact O-N 3.28Å; K1580-G1583 PolarHBondContact O-N 3.2Å; K1580-G1584 PolarHBondContact O-N 2.89Å |
| 1581 | V | 89.8 | Confident | 88.6 | Confident | 86 Ų | 86 | 79.3 Ų | 79.3 | 52% | 0.521 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.6 | -48.4 | 177.6 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | W1578 G1583 G1584 W1585 | W1578-V1581 HydrophobicContact CE3-CB 4.3Å; W1578-V1581 HydrophobicContact CE3-CG1 4.48Å; W1578-V1581 HydrophobicContact CE3-CG2 4.25Å; W1578-V1581 PolarHBondContact O-N 3.28Å; V1581-G1583 PolarHBondContact O-N 3.14Å; V1581-G1584 PolarHBondContact O-N 3.33Å; V1581-G1584 VanDerWaalsContact O-N 3.15Å; V1581-W1585 PolarHBondContact O-N 2.86Å |
| 1582 | C | 89.5 | Confident | 88.8 | Confident | 15 Ų | 15 | 74.8 Ų | 74.8 | 10% | 0.101 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.1 | -46.7 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | L1574 W1578 G1584 W1585 F1586 | L1574-C1582 HydrophobicContact CD1-CB 3.4Å; W1578-C1582 WeakPolarHBondContact O-CB 3.4Å; W1578-C1582 PolarHBondContact O-N 2.88Å; C1582-G1584 VanDerWaalsContact C-N 3.35Å; C1582-G1584 PolarHBondContact O-N 3.49Å; C1582-W1585 PolarHBondContact O-N 3.05Å; C1582-F1586 WeakPolarHBondContact O-CD2 3.35Å; C1582-F1586 PolarHBondContact O-N 3.39Å |
| 1583 | G | 89.6 | Confident | 89.1 | Confident | 20 Ų | 20 | 71.4 Ų | 71.4 | 21% | 0.206 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | R1579 K1580 V1581 L1587 | R1579-G1583 PolarHBondContact O-N 3.25Å; K1580-G1583 PolarHBondContact O-N 3.2Å; V1581-G1583 PolarHBondContact O-N 3.14Å; G1583-L1587 WeakPolarHBondContact O-CB 3.46Å; G1583-L1587 PolarHBondContact O-N 3.29Å; G1583-L1587 VanDerWaalsContact O-N 3.1Å |
| 1584 | G | 91.9 | Very high | 89.4 | Confident | 43 Ų | 43 | 69.3 Ų | 69.3 | 44% | 0.443 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | K1580 V1581 C1582 L1587 L1588 | K1580-G1584 PolarHBondContact O-N 2.89Å; V1581-G1584 PolarHBondContact O-N 3.33Å; V1581-G1584 VanDerWaalsContact O-N 3.15Å; C1582-G1584 VanDerWaalsContact C-N 3.35Å; C1582-G1584 PolarHBondContact O-N 3.49Å; G1584-L1587 PolarHBondContact O-N 3.41Å; G1584-L1588 PolarHBondContact O-N 2.84Å; G1584-L1588 VanDerWaalsContact O-N 3.07Å |
| 1585 | W | 93.7 | Very high | 89.7 | Confident | 111 Ų | 111 | 67.3 Ų | 67.3 | 42% | 0.42 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.7 | -48.9 | 179 | -163.8 | -96.7 | 0 | 0 | 0 | 112.1 | P1481 S1484 V1581 C1582 L1587 L1588 I1589 | P1481-W1585 HydrophobicContact CB-CZ2 4.42Å; S1484-W1585 PolarHBondContact OG-NE1 2.83Å; V1581-W1585 PolarHBondContact O-N 2.86Å; C1582-W1585 PolarHBondContact O-N 3.05Å; W1585-L1587 VanDerWaalsContact C-N 3.25Å; W1585-L1587 PolarHBondContact O-N 2.98Å; W1585-L1588 HydrophobicContact CE3-CD2 4.42Å; W1585-L1588 HydrophobicContact CZ3-CD2 4.32Å; W1585-L1588 WeakPolarHBondContact O-CA 3.12Å; W1585-L1588 WeakPolarHBondContact O-CB 3.46Å; W1585-L1588 PolarHBondContact O-N 3.2Å; W1585-I1589 WeakPolarHBondContact O-CG1 3.42Å; W1585-I1589 PolarHBondContact O-N 3.04Å |
| 1586 | F | 94 | Very high | 90 | Very high | 9 Ų | 9 | 64.8 Ų | 64.8 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.6 | -31.4 | 175.9 | -82.4 | -80.3 | 0 | 0 | 0 | 112.7 | L1485 L1488 C1563 L1566 W1567 F1570 C1582 I1589 A1590 | L1485-F1586 HydrophobicContact CD1-CE1 4.41Å; L1488-F1586 HydrophobicContact CD1-CE1 4.07Å; L1488-F1586 HydrophobicContact CD1-CE2 4.3Å; L1488-F1586 HydrophobicContact CD1-CZ 3.76Å; C1563-F1586 HydrophobicContact CB-CD1 4.5Å; C1563-F1586 VanDerWaalsContact O-CD1 3.3Å; C1563-F1586 WeakPolarHBondContact O-CD1 3.43Å; C1563-F1586 PolarHBondContact SG-O 2.91Å; L1566-F1586 HydrophobicContact CB-CE1 3.65Å; L1566-F1586 HydrophobicContact CB-CZ 3.75Å; W1567-F1586 HydrophobicContact CB-CB 3.92Å; W1567-F1586 HydrophobicContact CB-CD1 3.83Å; W1567-F1586 HydrophobicContact CB-CD2 3.75Å; W1567-F1586 HydrophobicContact CB-CE1 4.25Å; W1567-F1586 HydrophobicContact CB-CE2 4.19Å; W1567-F1586 HydrophobicContact CB-CG 3.56Å; W1567-F1586 HydrophobicContact CB-CZ 4.42Å; W1567-F1586 AromaticContact CD1-CD2 3.73Å; W1567-F1586 HydrophobicContact CG-CB 4.08Å; W1567-F1586 HydrophobicContact CG-CD2 4.12Å; W1567-F1586 HydrophobicContact CG-CG 4.1Å; F1570-F1586 HydrophobicContact CB-CE2 4.36Å; F1570-F1586 HydrophobicContact CD2-CE2 4.19Å; F1570-F1586 AromaticContact CD2-CZ 3.84Å; F1570-F1586 HydrophobicContact CD2-CZ 3.84Å; F1570-F1586 HydrophobicContact CE2-CZ 4.43Å; C1582-F1586 WeakPolarHBondContact O-CD2 3.35Å; C1582-F1586 PolarHBondContact O-N 3.39Å; F1586-I1589 HydrophobicContact CD1-CD1 4.01Å; F1586-I1589 HydrophobicContact CE1-CD1 4.3Å; F1586-I1589 PolarHBondContact O-N 2.78Å; F1586-A1590 PolarHBondContact O-N 2.76Å |
| 1587 | L | 93 | Very high | 90.4 | Very high | 109 Ų | 109 | 60.1 Ų | 60.1 | 57% | 0.571 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.3 | -39.2 | 170.6 | -178.2 | 63.6 | 0 | 0 | 0 | 112 | G1583 G1584 W1585 A1590 I1591 | G1583-L1587 WeakPolarHBondContact O-CB 3.46Å; G1583-L1587 PolarHBondContact O-N 3.29Å; G1583-L1587 VanDerWaalsContact O-N 3.1Å; G1584-L1587 PolarHBondContact O-N 3.41Å; W1585-L1587 VanDerWaalsContact C-N 3.25Å; W1585-L1587 PolarHBondContact O-N 2.98Å; L1587-A1590 PolarHBondContact O-N 2.86Å; L1587-I1591 HydrophobicContact CD1-CD1 4.45Å; L1587-I1591 HydrophobicContact CG-CD1 4.11Å; L1587-I1591 WeakPolarHBondContact O-CG1 3.48Å; L1587-I1591 PolarHBondContact O-N 3.26Å |
| 1588 | L | 93.5 | Very high | 90.4 | Very high | 48 Ų | 48 | 50.9 Ų | 50.9 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66 | -37.6 | 175.6 | -171.5 | 66.2 | 0 | 0 | 0 | 111.8 | W1477 P1481 G1584 W1585 I1591 S1592 | W1477-L1588 HydrophobicContact CH2-CD1 4.34Å; P1481-L1588 HydrophobicContact CB-CB 4.42Å; P1481-L1588 HydrophobicContact CB-CD2 3.8Å; P1481-L1588 HydrophobicContact CB-CG 3.77Å; P1481-L1588 HydrophobicContact CG-CD2 3.83Å; P1481-L1588 HydrophobicContact CG-CG 3.8Å; G1584-L1588 PolarHBondContact O-N 2.84Å; G1584-L1588 VanDerWaalsContact O-N 3.07Å; W1585-L1588 HydrophobicContact CE3-CD2 4.42Å; W1585-L1588 HydrophobicContact CZ3-CD2 4.32Å; W1585-L1588 WeakPolarHBondContact O-CA 3.12Å; W1585-L1588 WeakPolarHBondContact O-CB 3.46Å; W1585-L1588 PolarHBondContact O-N 3.2Å; L1588-I1591 PolarHBondContact O-N 3.42Å; L1588-S1592 WeakPolarHBondContact O-CB 3.49Å; L1588-S1592 PolarHBondContact O-N 3.15Å |
| 1589 | I | 92.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.5 | -49.9 | 171 | -59.1 | 179 | 0 | 0 | 0 | 109.9 | P1481 S1484 L1485 L1488 W1585 F1586 I1591 S1592 T1593 | P1481-I1589 WeakPolarHBondContact O-CG1 3.13Å; S1484-I1589 WeakPolarHBondContact OG-CD1 3.37Å; L1485-I1589 HydrophobicContact CB-CD1 4.48Å; L1485-I1589 HydrophobicContact CB-CG2 4.11Å; L1485-I1589 HydrophobicContact CD1-CD1 4.44Å; L1485-I1589 HydrophobicContact CD1-CG2 4.37Å; L1485-I1589 HydrophobicContact CD2-CG2 4.45Å; L1488-I1589 HydrophobicContact CD1-CD1 3.82Å; W1585-I1589 WeakPolarHBondContact O-CG1 3.42Å; W1585-I1589 PolarHBondContact O-N 3.04Å; F1586-I1589 HydrophobicContact CD1-CD1 4.01Å; F1586-I1589 HydrophobicContact CE1-CD1 4.3Å; F1586-I1589 PolarHBondContact O-N 2.78Å; I1589-I1591 VanDerWaalsContact C-N 3.34Å; I1589-I1591 PolarHBondContact O-N 2.69Å; I1589-S1592 WeakPolarHBondContact O-CB 3.31Å; I1589-S1592 PolarHBondContact O-N 3.44Å; I1589-S1592 VanDerWaalsContact O-N 3.11Å; I1589-S1592 PolarHBondContact O-OG 3.13Å; I1589-T1593 PolarHBondContact O-N 3.42Å |
| 1590 | A | 92.5 | Very high | 90.1 | Very high | 24 Ų | 24 | 40.5 Ų | 40.5 | 20% | 0.198 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -35.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1560 F1586 L1587 T1593 | I1560-A1590 HydrophobicContact CD1-CB 3.86Å; F1586-A1590 PolarHBondContact O-N 2.76Å; L1587-A1590 PolarHBondContact O-N 2.86Å; A1590-T1593 PolarHBondContact O-OG1 2.92Å |
| 1591 | I | 93.2 | Very high | 90.1 | Very high | 83 Ų | 83 | 35 Ų | 35 | 43% | 0.426 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -70.1 | -36.9 | 173.7 | -68.7 | 166.6 | 0 | 0 | 0 | 110.6 | L1587 L1588 I1589 T1593 L1594 T1595 | L1587-I1591 HydrophobicContact CD1-CD1 4.45Å; L1587-I1591 HydrophobicContact CG-CD1 4.11Å; L1587-I1591 WeakPolarHBondContact O-CG1 3.48Å; L1587-I1591 PolarHBondContact O-N 3.26Å; L1588-I1591 PolarHBondContact O-N 3.42Å; I1589-I1591 VanDerWaalsContact C-N 3.34Å; I1589-I1591 PolarHBondContact O-N 2.69Å; I1591-T1593 PolarHBondContact O-N 3.12Å; I1591-L1594 PolarHBondContact O-N 3.2Å; I1591-L1594 VanDerWaalsContact O-N 3.12Å; I1591-T1595 HydrophobicContact CG2-CG2 3.95Å; I1591-T1595 PolarHBondContact O-N 3.12Å; I1591-T1595 VanDerWaalsContact O-N 3.11Å; I1591-T1595 PolarHBondContact O-OG1 3.43Å |
| 1592 | S | 93.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.8 | -27.8 | -177 | 73.3 | 0 | 0 | 0 | 0 | 113.7 | T1478 Y1482 L1588 I1589 L1594 T1595 T1596 | T1478-S1592 VanDerWaalsContact O-CB 3.24Å; T1478-S1592 WeakPolarHBondContact O-CB 3.36Å; Y1482-S1592 WeakPolarHBondContact CA-OG 3.31Å; Y1482-S1592 WeakPolarHBondContact CB-OG 3.35Å; Y1482-S1592 PolarHBondContact N-OG 3.07Å; L1588-S1592 WeakPolarHBondContact O-CB 3.49Å; L1588-S1592 PolarHBondContact O-N 3.15Å; I1589-S1592 WeakPolarHBondContact O-CB 3.31Å; I1589-S1592 PolarHBondContact O-N 3.44Å; I1589-S1592 VanDerWaalsContact O-N 3.11Å; I1589-S1592 PolarHBondContact O-OG 3.13Å; S1592-L1594 VanDerWaalsContact C-N 3.27Å; S1592-L1594 PolarHBondContact O-N 3.41Å; S1592-T1595 WeakPolarHBondContact CA-OG1 3.23Å; S1592-T1595 PolarHBondContact O-N 3.49Å; S1592-T1596 VanDerWaalsContact O-CB 3.31Å; S1592-T1596 WeakPolarHBondContact O-CB 3.27Å; S1592-T1596 VanDerWaalsContact O-CG2 3.28Å; S1592-T1596 WeakPolarHBondContact O-CG2 3.46Å; S1592-T1596 PolarHBondContact O-N 3.17Å; S1592-T1596 PolarHBondContact O-OG1 3.41Å |
| 1593 | T | 89.5 | Confident | 89.5 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.1 | -36.3 | 176.2 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | Y1482 H1559 I1560 I1589 A1590 I1591 Q1598 H1599 | Y1482-T1593 HydrophobicContact CD2-CG2 4.06Å; Y1482-T1593 HydrophobicContact CE2-CG2 3.9Å; H1559-T1593 HydrophobicContact CB-CG2 4.28Å; I1560-T1593 HydrophobicContact CD1-CG2 3.86Å; I1560-T1593 HydrophobicContact CG1-CG2 4.37Å; I1589-T1593 PolarHBondContact O-N 3.42Å; A1590-T1593 PolarHBondContact O-OG1 2.92Å; I1591-T1593 PolarHBondContact O-N 3.12Å; T1593-Q1598 PolarHBondContact O-N 2.79Å; T1593-H1599 PolarHBondContact O-N 2.99Å; T1593-H1599 VanDerWaalsContact O-N 3.12Å |
| 1594 | L | 90 | Very high | 89.4 | Confident | 29 Ų | 29 | 31 Ų | 31 | 15% | 0.152 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -80.8 | -42.2 | 176.6 | -61.6 | 176.7 | 0 | 0 | 0 | 111.8 | I1472 I1591 S1592 T1596 W1597 H1599 F1601 V1604 | I1472-L1594 HydrophobicContact CD1-CB 4.44Å; I1472-L1594 HydrophobicContact CD1-CD1 4.5Å; I1472-L1594 HydrophobicContact CG2-CB 4.37Å; I1591-L1594 PolarHBondContact O-N 3.2Å; I1591-L1594 VanDerWaalsContact O-N 3.12Å; S1592-L1594 VanDerWaalsContact C-N 3.27Å; S1592-L1594 PolarHBondContact O-N 3.41Å; L1594-T1596 VanDerWaalsContact C-N 3.32Å; L1594-T1596 PolarHBondContact O-N 2.96Å; L1594-W1597 VanDerWaalsContact O-CD1 3.26Å; L1594-W1597 PolarHBondContact O-N 2.75Å; L1594-W1597 VanDerWaalsContact O-N 3.11Å; L1594-H1599 WeakPolarHBondContact CD2-O 3.37Å; L1594-F1601 HydrophobicContact CD1-CD2 4.38Å; L1594-V1604 HydrophobicContact CD1-CG2 4.46Å; L1594-V1604 HydrophobicContact CD2-CG2 3.81Å; L1594-V1604 HydrophobicContact CG-CG2 4.08Å |
| 1595 | T | 92 | Very high | 89.1 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 7% | 0.067 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -79.1 | -13.4 | -175.9 | 59.1 | 0 | 0 | 0 | 0 | 114.1 | I1472 F1474 L1475 T1478 I1591 S1592 W1597 | I1472-T1595 HydrophobicContact CG2-CG2 4.33Å; F1474-T1595 CarbonylContact C-O 3.49Å; F1474-T1595 WeakPolarHBondContact CA-O 3.43Å; L1475-T1595 HydrophobicContact CD1-CG2 4.11Å; L1475-T1595 PolarHBondContact N-O 2.9Å; T1478-T1595 WeakPolarHBondContact CB-OG1 3.4Å; T1478-T1595 WeakPolarHBondContact CG2-OG1 3.32Å; T1478-T1595 PolarHBondContact OG1-OG1 2.92Å; I1591-T1595 HydrophobicContact CG2-CG2 3.95Å; I1591-T1595 PolarHBondContact O-N 3.12Å; I1591-T1595 VanDerWaalsContact O-N 3.11Å; I1591-T1595 PolarHBondContact O-OG1 3.43Å; S1592-T1595 WeakPolarHBondContact CA-OG1 3.23Å; S1592-T1595 PolarHBondContact O-N 3.49Å; T1595-W1597 VanDerWaalsContact C-N 3.32Å |
| 1596 | T | 87.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 0.3 | 167.7 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | F1474 T1478 I1479 F1542 S1592 L1594 Q1598 | F1474-T1596 WeakPolarHBondContact CE2-O 3.34Å; T1478-T1596 WeakPolarHBondContact OG1-CG2 3.45Å; I1479-T1596 HydrophobicContact CB-CG2 4.39Å; I1479-T1596 HydrophobicContact CD1-CG2 4.3Å; F1542-T1596 HydrophobicContact CE1-CG2 4.26Å; F1542-T1596 HydrophobicContact CZ-CG2 3.98Å; S1592-T1596 VanDerWaalsContact O-CB 3.31Å; S1592-T1596 WeakPolarHBondContact O-CB 3.27Å; S1592-T1596 VanDerWaalsContact O-CG2 3.28Å; S1592-T1596 WeakPolarHBondContact O-CG2 3.46Å; S1592-T1596 PolarHBondContact O-N 3.17Å; S1592-T1596 PolarHBondContact O-OG1 3.41Å; L1594-T1596 VanDerWaalsContact C-N 3.32Å; L1594-T1596 PolarHBondContact O-N 2.96Å; T1596-Q1598 PolarHBondContact O-N 3.29Å; T1596-Q1598 WeakPolarHBondContact OG1-CB 3.42Å; T1596-Q1598 VanDerWaalsContact OG1-CG 3.29Å; T1596-Q1598 WeakPolarHBondContact OG1-CG 3.38Å |
| 1597 | W | 87.3 | Confident | 88.4 | Confident | 58 Ų | 58 | 28.1 Ų | 28.1 | 22% | 0.22 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 39.5 | -171.2 | -62.2 | -18 | 0 | 0 | 0 | 112.4 | I1472 F1474 F1529 I1530 P1532 L1594 T1595 | I1472-W1597 PolarHBondContact O-NE1 3.26Å; I1472-W1597 VanDerWaalsContact O-NE1 3.07Å; F1474-W1597 HydrophobicContact CB-CD2 3.98Å; F1474-W1597 HydrophobicContact CB-CE3 4.3Å; F1474-W1597 HydrophobicContact CB-CH2 4.1Å; F1474-W1597 HydrophobicContact CB-CZ2 3.77Å; F1474-W1597 HydrophobicContact CB-CZ3 4.36Å; F1474-W1597 HydrophobicContact CD2-CB 4.47Å; F1474-W1597 HydrophobicContact CD2-CD2 4.03Å; F1474-W1597 HydrophobicContact CD2-CE3 4.26Å; F1474-W1597 HydrophobicContact CD2-CG 4.12Å; F1474-W1597 HydrophobicContact CG-CD2 4.37Å; F1474-W1597 HydrophobicContact CG-CE3 4.48Å; F1529-W1597 HydrophobicContact CB-CB 4.45Å; F1529-W1597 HydrophobicContact CB-CD2 4.21Å; F1529-W1597 HydrophobicContact CB-CE3 3.98Å; F1529-W1597 HydrophobicContact CB-CG 4.45Å; F1529-W1597 HydrophobicContact CD2-CD2 4.49Å; F1529-W1597 HydrophobicContact CD2-CG 4.28Å; I1530-W1597 WeakPolarHBondContact O-CZ3 3.45Å; P1532-W1597 HydrophobicContact CG-CH2 4.48Å; P1532-W1597 HydrophobicContact CG-CZ3 4.05Å; L1594-W1597 VanDerWaalsContact O-CD1 3.26Å; L1594-W1597 PolarHBondContact O-N 2.75Å; L1594-W1597 VanDerWaalsContact O-N 3.11Å; T1595-W1597 VanDerWaalsContact C-N 3.32Å |
| 1598 | Q | 82.6 | Confident | 88.3 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -94.7 | -15.1 | 177.3 | -78.1 | -70.6 | 18.7 | 0 | 0 | 113.4 | Y1482 F1527 L1545 Q1554 T1593 T1596 | Y1482-Q1598 HydrophobicContact CE2-CB 3.84Å; Y1482-Q1598 HydrophobicContact CE2-CG 4.01Å; F1527-Q1598 WeakPolarHBondContact CE1-O 3.45Å; L1545-Q1598 HydrophobicContact CD2-CG 4.47Å; Q1554-Q1598 PolarHBondContact OE1-O 3.09Å; T1593-Q1598 PolarHBondContact O-N 2.79Å; T1596-Q1598 PolarHBondContact O-N 3.29Å; T1596-Q1598 WeakPolarHBondContact OG1-CB 3.42Å; T1596-Q1598 VanDerWaalsContact OG1-CG 3.29Å; T1596-Q1598 WeakPolarHBondContact OG1-CG 3.38Å |
| 1599 | H | 84.7 | Confident | 87.9 | Confident | 10 Ų | 10 | 25.5 Ų | 25.5 | 5% | 0.046 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -146.2 | 148.6 | 178.5 | -74.2 | -88.1 | 0 | 0 | 0 | 108.9 | S1557 H1559 T1593 L1594 D1603 | S1557-H1599 VanDerWaalsContact CB-ND1 3.3Å; S1557-H1599 WeakPolarHBondContact CB-ND1 3.48Å; S1557-H1599 PolarHBondContact OG-CE1 3.45Å; S1557-H1599 PolarHBondContact OG-ND1 3.38Å; H1559-H1599 AromaticContact ND1-NE2 3.48Å; H1559-H1599 PolarHBondContact ND1-NE2 3.28Å; T1593-H1599 PolarHBondContact O-N 2.99Å; T1593-H1599 VanDerWaalsContact O-N 3.12Å; L1594-H1599 WeakPolarHBondContact CD2-O 3.37Å; H1599-D1603 HydrophobicContact CB-CB 4.09Å |
| 1600 | H | 85.9 | Confident | 87.8 | Confident | 7 Ų | 7 | 26.4 Ų | 26.4 | 3% | 0.032 | 14% | 0.143 | C | C | . | . | trans | -84.3 | 162.5 | 166.3 | -70.6 | -63.7 | 0 | 0 | 0 | 110.9 | V1465 E1469 S1528 F1529 I1602 D1603 | V1465-H1600 WeakPolarHBondContact CG2-CE1 3.5Å; V1465-H1600 WeakPolarHBondContact CG2-ND1 3.31Å; V1465-H1600 WeakPolarHBondContact CG2-NE2 3.47Å; E1469-H1600 VanDerWaalsContact OE2-CA 3.28Å; E1469-H1600 WeakPolarHBondContact OE2-CA 3.26Å; E1469-H1600 WeakPolarHBondContact OE2-CB 3.28Å; E1469-H1600 IonicContact OE2-CG 3.42Å; E1469-H1600 IonicContact OE2-ND1 3.25Å; E1469-H1600 PolarHBondContact OE2-ND1 2.79Å; E1469-H1600 VanDerWaalsContact OE2-ND1 3.08Å; S1528-H1600 PolarHBondContact N-NE2 2.79Å; S1528-H1600 PolarHBondContact OG-CE1 3.04Å; S1528-H1600 PolarHBondContact OG-NE2 3.08Å; F1529-H1600 AromaticContact CD2-CE1 3.67Å; F1529-H1600 AromaticContact CE2-CE1 3.58Å; F1529-H1600 AromaticContact CE2-ND1 3.81Å; H1600-I1602 HydrophobicContact CB-CG2 4.34Å; H1600-I1602 PolarHBondContact O-N 2.96Å; H1600-I1602 VanDerWaalsContact O-N 3.17Å; H1600-D1603 WeakPolarHBondContact CA-OD2 3.44Å; H1600-D1603 WeakPolarHBondContact CB-OD2 3.36Å; H1600-D1603 PolarHBondContact N-OD2 2.93Å; H1600-D1603 WeakPolarHBondContact O-CB 3.42Å; H1600-D1603 PolarHBondContact O-N 3.41Å; H1600-D1603 VanDerWaalsContact O-N 3.07Å | ||
| 1601 | F | 86.6 | Confident | 87.7 | Confident | 66 Ų | 66 | 25.2 Ų | 25.2 | 29% | 0.289 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -59.1 | -32.4 | -176.3 | -178 | -110.7 | 0 | 0 | 0 | 113 | F1466 W1468 E1469 L1594 D1603 V1604 I1605 | F1466-F1601 HydrophobicContact CD2-CB 4.18Å; F1466-F1601 HydrophobicContact CD2-CD1 4.07Å; F1466-F1601 HydrophobicContact CE2-CB 4.48Å; F1466-F1601 AromaticContact CE2-CD1 3.94Å; F1466-F1601 HydrophobicContact CE2-CD1 3.94Å; W1468-F1601 HydrophobicContact CH2-CB 3.76Å; W1468-F1601 AromaticContact CH2-CD1 3.78Å; W1468-F1601 HydrophobicContact CH2-CD1 3.78Å; W1468-F1601 AromaticContact CH2-CD2 3.65Å; W1468-F1601 HydrophobicContact CH2-CD2 3.65Å; W1468-F1601 HydrophobicContact CH2-CE1 4.2Å; W1468-F1601 HydrophobicContact CH2-CE2 4.12Å; W1468-F1601 AromaticContact CH2-CG 3.45Å; W1468-F1601 HydrophobicContact CH2-CG 3.45Å; W1468-F1601 VanDerWaalsContact CH2-CG 3.45Å; W1468-F1601 HydrophobicContact CH2-CZ 4.36Å; W1468-F1601 HydrophobicContact CZ2-CB 4Å; W1468-F1601 AromaticContact CZ2-CD1 3.5Å; W1468-F1601 HydrophobicContact CZ2-CD1 3.5Å; W1468-F1601 HydrophobicContact CZ2-CD2 4.27Å; W1468-F1601 AromaticContact CZ2-CE1 3.92Å; W1468-F1601 HydrophobicContact CZ2-CE1 3.92Å; W1468-F1601 AromaticContact CZ2-CG 3.67Å; W1468-F1601 HydrophobicContact CZ2-CG 3.67Å; W1468-F1601 HydrophobicContact CZ2-CZ 4.48Å; E1469-F1601 HydrophobicContact CG-CB 4.15Å; E1469-F1601 PolarHBondContact OE2-N 3Å; L1594-F1601 HydrophobicContact CD1-CD2 4.38Å; F1601-D1603 VanDerWaalsContact C-N 3.34Å; F1601-D1603 PolarHBondContact O-N 3.27Å; F1601-V1604 PolarHBondContact O-N 3.13Å; F1601-I1605 HydrophobicContact CD1-CD1 3.8Å; F1601-I1605 HydrophobicContact CE1-CD1 3.25Å; F1601-I1605 HydrophobicContact CE1-CG1 4.15Å; F1601-I1605 HydrophobicContact CZ-CD1 3.69Å; F1601-I1605 HydrophobicContact CZ-CG1 4.23Å; F1601-I1605 PolarHBondContact O-N 2.92Å |
| 1602 | I | 81 | Confident | 87.6 | Confident | 12 Ų | 12 | 22.1 Ų | 22.1 | 6% | 0.062 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.9 | -39.2 | 177.4 | -166.4 | 158.5 | 0 | 0 | 0 | 112.2 | Q1464 F1466 H1600 V1604 I1605 T1606 | Q1464-I1602 HydrophobicContact CG-CD1 4.48Å; F1466-I1602 HydrophobicContact CE2-CB 4.09Å; H1600-I1602 HydrophobicContact CB-CG2 4.34Å; H1600-I1602 PolarHBondContact O-N 2.96Å; H1600-I1602 VanDerWaalsContact O-N 3.17Å; I1602-V1604 PolarHBondContact O-N 3.46Å; I1602-I1605 PolarHBondContact O-N 3.41Å; I1602-I1605 VanDerWaalsContact O-N 3.15Å; I1602-T1606 HydrophobicContact CG1-CG2 4.19Å; I1602-T1606 WeakPolarHBondContact O-CG2 3.3Å; I1602-T1606 PolarHBondContact O-N 3.38Å; I1602-T1606 PolarHBondContact O-OG1 2.77Å |
| 1603 | D | 84.8 | Confident | 87.4 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.9 | -32.4 | -179.3 | -50.1 | -43.9 | 0 | 0 | 0 | 111.4 | S1555 S1557 H1599 H1600 F1601 T1606 G1607 | S1555-D1603 WeakPolarHBondContact CA-OD1 3.37Å; S1555-D1603 WeakPolarHBondContact CB-OD1 3.38Å; S1555-D1603 PolarHBondContact N-OD1 3.15Å; S1557-D1603 WeakPolarHBondContact CB-O 3.45Å; S1557-D1603 PolarHBondContact N-O 3.38Å; H1599-D1603 HydrophobicContact CB-CB 4.09Å; H1600-D1603 WeakPolarHBondContact CA-OD2 3.44Å; H1600-D1603 WeakPolarHBondContact CB-OD2 3.36Å; H1600-D1603 PolarHBondContact N-OD2 2.93Å; H1600-D1603 WeakPolarHBondContact O-CB 3.42Å; H1600-D1603 PolarHBondContact O-N 3.41Å; H1600-D1603 VanDerWaalsContact O-N 3.07Å; F1601-D1603 VanDerWaalsContact C-N 3.34Å; F1601-D1603 PolarHBondContact O-N 3.27Å; D1603-T1606 WeakPolarHBondContact CA-OG1 3.44Å; D1603-T1606 PolarHBondContact O-OG1 3.42Å; D1603-G1607 WeakPolarHBondContact O-CA 3.36Å; D1603-G1607 PolarHBondContact O-N 3.15Å |
| 1604 | V | 87.1 | Confident | 87.5 | Confident | 24 Ų | 24 | 23.5 Ų | 23.5 | 15% | 0.145 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.2 | -43.5 | 175.6 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | I1560 L1594 F1601 I1602 L1608 | I1560-V1604 HydrophobicContact CD1-CG1 4.13Å; I1560-V1604 HydrophobicContact CD1-CG2 4.32Å; I1560-V1604 HydrophobicContact CG1-CB 4.38Å; I1560-V1604 HydrophobicContact CG1-CG1 4.25Å; I1560-V1604 HydrophobicContact CG1-CG2 4.17Å; I1560-V1604 HydrophobicContact CG2-CG1 4.4Å; L1594-V1604 HydrophobicContact CD1-CG2 4.46Å; L1594-V1604 HydrophobicContact CD2-CG2 3.81Å; L1594-V1604 HydrophobicContact CG-CG2 4.08Å; F1601-V1604 PolarHBondContact O-N 3.13Å; I1602-V1604 PolarHBondContact O-N 3.46Å; V1604-L1608 WeakPolarHBondContact O-CB 3.46Å; V1604-L1608 PolarHBondContact O-N 3.1Å |
| 1605 | I | 86.2 | Confident | 87.4 | Confident | 66 Ų | 66 | 22.5 Ų | 22.5 | 34% | 0.338 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -66.7 | -48.4 | 178.3 | -67.9 | 177.3 | 0 | 0 | 0 | 110.5 | F1601 I1602 L1608 A1609 W1664 | F1601-I1605 HydrophobicContact CD1-CD1 3.8Å; F1601-I1605 HydrophobicContact CE1-CD1 3.25Å; F1601-I1605 HydrophobicContact CE1-CG1 4.15Å; F1601-I1605 HydrophobicContact CZ-CD1 3.69Å; F1601-I1605 HydrophobicContact CZ-CG1 4.23Å; F1601-I1605 PolarHBondContact O-N 2.92Å; I1602-I1605 PolarHBondContact O-N 3.41Å; I1602-I1605 VanDerWaalsContact O-N 3.15Å; I1605-L1608 PolarHBondContact O-N 3.34Å; I1605-A1609 WeakPolarHBondContact O-CB 3.43Å; I1605-A1609 PolarHBondContact O-N 3.47Å; I1605-W1664 HydrophobicContact CD1-CZ2 4.48Å |
| 1606 | T | 85 | Confident | 87.2 | Confident | 36 Ų | 36 | 22.9 Ų | 22.9 | 22% | 0.221 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.5 | -42.4 | -178.8 | 55.9 | 0 | 0 | 0 | 0 | 111 | S1555 P1556 I1602 D1603 L1608 A1609 V1610 | S1555-T1606 PolarHBondContact OG-OG1 3.43Å; P1556-T1606 WeakPolarHBondContact CA-OG1 3.34Å; I1602-T1606 HydrophobicContact CG1-CG2 4.19Å; I1602-T1606 WeakPolarHBondContact O-CG2 3.3Å; I1602-T1606 PolarHBondContact O-N 3.38Å; I1602-T1606 PolarHBondContact O-OG1 2.77Å; D1603-T1606 WeakPolarHBondContact CA-OG1 3.44Å; D1603-T1606 PolarHBondContact O-OG1 3.42Å; T1606-L1608 PolarHBondContact O-N 2.91Å; T1606-A1609 PolarHBondContact O-N 3.42Å; T1606-V1610 WeakPolarHBondContact O-CG2 3.35Å; T1606-V1610 PolarHBondContact O-N 3Å |
| 1607 | G | 88.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1561 D1603 V1610 G1611 | I1561-G1607 WeakPolarHBondContact CG1-O 3.44Å; D1603-G1607 WeakPolarHBondContact O-CA 3.36Å; D1603-G1607 PolarHBondContact O-N 3.15Å; G1607-V1610 PolarHBondContact O-N 3.49Å; G1607-G1611 PolarHBondContact O-N 3.26Å |
| 1608 | L | 90.7 | Very high | 87.1 | Confident | 64 Ų | 64 | 24.4 Ų | 24.4 | 34% | 0.335 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -66.1 | -41.7 | 177.4 | -176.1 | 65.1 | 0 | 0 | 0 | 111.6 | I1560 W1564 V1604 I1605 T1606 G1611 M1612 | I1560-L1608 HydrophobicContact CG2-CB 3.97Å; W1564-L1608 HydrophobicContact CB-CD1 4.35Å; W1564-L1608 HydrophobicContact CD2-CD1 4.09Å; W1564-L1608 HydrophobicContact CE3-CD1 3.49Å; W1564-L1608 VanDerWaalsContact CE3-CD1 3.49Å; W1564-L1608 HydrophobicContact CG-CD1 4.46Å; W1564-L1608 HydrophobicContact CZ3-CD1 4.12Å; V1604-L1608 WeakPolarHBondContact O-CB 3.46Å; V1604-L1608 PolarHBondContact O-N 3.1Å; I1605-L1608 PolarHBondContact O-N 3.34Å; T1606-L1608 PolarHBondContact O-N 2.91Å; L1608-G1611 PolarHBondContact O-N 3.48Å; L1608-M1612 HydrophobicContact CD1-CE 3.86Å; L1608-M1612 HydrophobicContact CD2-CE 3.92Å; L1608-M1612 HydrophobicContact CG-CE 3.72Å; L1608-M1612 HydrophobicContact CG-SD 4.47Å; L1608-M1612 WeakPolarHBondContact O-CB 3.25Å; L1608-M1612 WeakPolarHBondContact O-CG 3.31Å; L1608-M1612 PolarHBondContact O-N 2.9Å |
| 1609 | A | 86.1 | Confident | 87 | Confident | 38 Ų | 38 | 25.4 Ų | 25.4 | 31% | 0.314 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62 | -44.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1605 T1606 M1612 L1613 | I1605-A1609 WeakPolarHBondContact O-CB 3.43Å; I1605-A1609 PolarHBondContact O-N 3.47Å; T1606-A1609 PolarHBondContact O-N 3.42Å; A1609-M1612 PolarHBondContact O-N 2.81Å; A1609-L1613 VanDerWaalsContact O-CB 3.3Å; A1609-L1613 WeakPolarHBondContact O-CB 3.32Å; A1609-L1613 PolarHBondContact O-N 2.89Å |
| 1610 | V | 89.4 | Confident | 86.3 | Confident | 21 Ų | 21 | 26 Ų | 26 | 13% | 0.127 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 175.6 | 170 | 0 | 0 | 0 | 0 | 111.3 | M1515 P1556 I1561 T1606 G1607 M1612 L1613 I1614 | M1515-V1610 HydrophobicContact CB-CG1 4.05Å; M1515-V1610 HydrophobicContact CE-CB 4.28Å; M1515-V1610 HydrophobicContact CE-CG1 3.59Å; M1515-V1610 HydrophobicContact CE-CG2 3.97Å; M1515-V1610 HydrophobicContact SD-CG1 4Å; P1556-V1610 HydrophobicContact CB-CG2 4.06Å; P1556-V1610 HydrophobicContact CG-CG2 4.11Å; I1561-V1610 HydrophobicContact CD1-CB 3.92Å; I1561-V1610 HydrophobicContact CD1-CG1 3.48Å; I1561-V1610 VanDerWaalsContact CD1-CG1 3.48Å; I1561-V1610 HydrophobicContact CG1-CB 3.94Å; I1561-V1610 HydrophobicContact CG1-CG1 3.81Å; I1561-V1610 HydrophobicContact CG2-CG1 4.37Å; T1606-V1610 WeakPolarHBondContact O-CG2 3.35Å; T1606-V1610 PolarHBondContact O-N 3Å; G1607-V1610 PolarHBondContact O-N 3.49Å; V1610-M1612 PolarHBondContact O-N 3.12Å; V1610-L1613 WeakPolarHBondContact O-CB 3.5Å; V1610-L1613 PolarHBondContact O-N 3.2Å; V1610-L1613 VanDerWaalsContact O-N 3.15Å; V1610-I1614 HydrophobicContact CG1-CD1 3.68Å; V1610-I1614 HydrophobicContact CG1-CG1 4.32Å; V1610-I1614 VanDerWaalsContact O-CG1 3.28Å; V1610-I1614 WeakPolarHBondContact O-CG1 3.38Å; V1610-I1614 PolarHBondContact O-N 3.28Å |
| 1611 | G | 91.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.6 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | W1564 G1607 L1608 I1614 D1615 | W1564-G1611 PolarHBondContact NE1-O 2.93Å; G1607-G1611 PolarHBondContact O-N 3.26Å; L1608-G1611 PolarHBondContact O-N 3.48Å; G1611-I1614 PolarHBondContact O-N 2.98Å; G1611-D1615 WeakPolarHBondContact O-CB 3.4Å; G1611-D1615 PolarHBondContact O-N 2.94Å |
| 1612 | M | 91 | Very high | 84.5 | Confident | 18 Ų | 18 | 33.5 Ų | 33.5 | 9% | 0.089 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.6 | -41.3 | 173.5 | -72.2 | 180 | -176.3 | 0 | 0 | 111.8 | W1564 L1608 A1609 V1610 D1615 W1616 A1698 W1701 L1702 | W1564-M1612 HydrophobicContact CD2-CG 4.05Å; W1564-M1612 HydrophobicContact CE3-CE 4.08Å; W1564-M1612 HydrophobicContact CE3-CG 4.39Å; W1564-M1612 HydrophobicContact CH2-CE 3.54Å; W1564-M1612 HydrophobicContact CH2-CG 3.97Å; W1564-M1612 HydrophobicContact CH2-SD 4.45Å; W1564-M1612 HydrophobicContact CZ2-CE 4.18Å; W1564-M1612 HydrophobicContact CZ2-CG 3.59Å; W1564-M1612 HydrophobicContact CZ3-CE 3.47Å; W1564-M1612 VanDerWaalsContact CZ3-CE 3.47Å; W1564-M1612 HydrophobicContact CZ3-CG 4.34Å; L1608-M1612 HydrophobicContact CD1-CE 3.86Å; L1608-M1612 HydrophobicContact CD2-CE 3.92Å; L1608-M1612 HydrophobicContact CG-CE 3.72Å; L1608-M1612 HydrophobicContact CG-SD 4.47Å; L1608-M1612 WeakPolarHBondContact O-CB 3.25Å; L1608-M1612 WeakPolarHBondContact O-CG 3.31Å; L1608-M1612 PolarHBondContact O-N 2.9Å; A1609-M1612 PolarHBondContact O-N 2.81Å; V1610-M1612 PolarHBondContact O-N 3.12Å; M1612-D1615 PolarHBondContact O-N 2.94Å; M1612-W1616 PolarHBondContact O-N 2.86Å; M1612-A1698 HydrophobicContact CB-CB 4.25Å; M1612-A1698 WeakPolarHBondContact O-CB 3.29Å; M1612-W1701 HydrophobicContact CE-CB 4.12Å; M1612-W1701 HydrophobicContact CE-CG 4.15Å; M1612-W1701 HydrophobicContact SD-CB 3.79Å; M1612-W1701 HydrophobicContact SD-CG 4.45Å; M1612-L1702 HydrophobicContact CB-CD1 4.01Å; M1612-L1702 HydrophobicContact CB-CD2 3.97Å; M1612-L1702 HydrophobicContact CB-CG 3.96Å |
| 1613 | L | 89.3 | Confident | 83.7 | Confident | 30 Ų | 30 | 41.8 Ų | 41.8 | 16% | 0.157 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | 178.3 | -177.9 | 57.8 | 0 | 0 | 0 | 111.1 | M1515 A1609 V1610 W1616 M1617 L1670 | M1515-L1613 HydrophobicContact CE-CD2 4.09Å; A1609-L1613 VanDerWaalsContact O-CB 3.3Å; A1609-L1613 WeakPolarHBondContact O-CB 3.32Å; A1609-L1613 PolarHBondContact O-N 2.89Å; V1610-L1613 WeakPolarHBondContact O-CB 3.5Å; V1610-L1613 PolarHBondContact O-N 3.2Å; V1610-L1613 VanDerWaalsContact O-N 3.15Å; L1613-W1616 HydrophobicContact CD1-CE3 3.78Å; L1613-W1616 HydrophobicContact CD1-CZ3 4.2Å; L1613-W1616 CarbonylContact O-C 3.51Å; L1613-W1616 WeakPolarHBondContact O-CB 3.43Å; L1613-W1616 PolarHBondContact O-N 3.02Å; L1613-M1617 HydrophobicContact CD1-CG 4.2Å; L1613-M1617 HydrophobicContact CD1-SD 4.28Å; L1613-M1617 HydrophobicContact CD2-SD 4.45Å; L1613-M1617 HydrophobicContact CG-CG 4.3Å; L1613-M1617 HydrophobicContact CG-SD 3.89Å; L1613-M1617 WeakPolarHBondContact O-CB 3.47Å; L1613-M1617 VanDerWaalsContact O-CG 3.28Å; L1613-M1617 WeakPolarHBondContact O-CG 3.45Å; L1613-M1617 PolarHBondContact O-N 3.33Å; L1613-L1670 HydrophobicContact CD1-CD1 4Å; L1613-L1670 HydrophobicContact CD2-CD1 4.34Å |
| 1614 | I | 90.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.5 | -43 | 174.9 | -66.6 | 165.5 | 0 | 0 | 0 | 111.3 | R1508 L1511 A1512 M1515 I1561 L1565 V1610 G1611 W1616 M1617 V1618 | R1508-I1614 HydrophobicContact CB-CG2 3.86Å; R1508-I1614 HydrophobicContact CG-CG2 3.93Å; L1511-I1614 HydrophobicContact CB-CG1 4.49Å; L1511-I1614 HydrophobicContact CB-CG2 4.47Å; L1511-I1614 HydrophobicContact CD2-CB 4.39Å; L1511-I1614 HydrophobicContact CD2-CG1 3.87Å; L1511-I1614 HydrophobicContact CD2-CG2 4.19Å; L1511-I1614 HydrophobicContact CG-CD1 4.42Å; L1511-I1614 HydrophobicContact CG-CG1 3.99Å; A1512-I1614 VanDerWaalsContact CA-CD1 3.48Å; A1512-I1614 HydrophobicContact CB-CD1 3.9Å; M1515-I1614 HydrophobicContact SD-CD1 3.97Å; M1515-I1614 HydrophobicContact SD-CG1 3.72Å; I1561-I1614 HydrophobicContact CG2-CD1 3.82Å; L1565-I1614 HydrophobicContact CD1-CB 4.48Å; L1565-I1614 HydrophobicContact CD1-CD1 4.49Å; L1565-I1614 HydrophobicContact CD1-CG2 3.92Å; L1565-I1614 HydrophobicContact CD2-CB 4.24Å; L1565-I1614 HydrophobicContact CD2-CG2 3.87Å; V1610-I1614 HydrophobicContact CG1-CD1 3.68Å; V1610-I1614 HydrophobicContact CG1-CG1 4.32Å; V1610-I1614 VanDerWaalsContact O-CG1 3.28Å; V1610-I1614 WeakPolarHBondContact O-CG1 3.38Å; V1610-I1614 PolarHBondContact O-N 3.28Å; G1611-I1614 PolarHBondContact O-N 2.98Å; I1614-W1616 PolarHBondContact O-N 3.47Å; I1614-M1617 PolarHBondContact O-N 2.85Å; I1614-V1618 PolarHBondContact O-N 2.77Å |
| 1615 | D | 89.2 | Confident | 82.1 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.4 | -32.1 | 175.3 | -170.6 | 29.1 | 0 | 0 | 0 | 111.5 | R1508 L1565 R1568 G1611 M1612 A1698 | R1508-D1615 IonicContact CZ-OD1 3.21Å; R1508-D1615 IonicContact NH1-OD1 3.32Å; R1508-D1615 PolarHBondContact NH1-OD1 3.11Å; R1508-D1615 PolarHBondContact NH2-O 3.2Å; R1508-D1615 VanDerWaalsContact NH2-O 3.16Å; R1508-D1615 IonicContact NH2-OD1 3.95Å; R1508-D1615 PolarHBondContact NH2-OD1 2.97Å; L1565-D1615 HydrophobicContact CD2-CB 4.19Å; R1568-D1615 IonicContact CZ-OD2 2.76Å; R1568-D1615 IonicContact NE-OD1 2.63Å; R1568-D1615 IonicContact NE-OD2 3.1Å; R1568-D1615 PolarHBondContact NE-OD2 3.26Å; R1568-D1615 IonicContact NH2-OD1 3.41Å; R1568-D1615 IonicContact NH2-OD2 3.01Å; G1611-D1615 WeakPolarHBondContact O-CB 3.4Å; G1611-D1615 PolarHBondContact O-N 2.94Å; M1612-D1615 PolarHBondContact O-N 2.94Å; D1615-A1698 HydrophobicContact CB-CB 3.97Å |
| 1616 | W | 87.9 | Confident | 81.1 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 7% | 0.072 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76 | -51.2 | 171.5 | 176.4 | 73.2 | 0 | 0 | 0 | 112.7 | M1612 L1613 I1614 V1618 W1624 I1674 L1682 T1686 L1702 | M1612-W1616 PolarHBondContact O-N 2.86Å; L1613-W1616 HydrophobicContact CD1-CE3 3.78Å; L1613-W1616 HydrophobicContact CD1-CZ3 4.2Å; L1613-W1616 CarbonylContact O-C 3.51Å; L1613-W1616 WeakPolarHBondContact O-CB 3.43Å; L1613-W1616 PolarHBondContact O-N 3.02Å; I1614-W1616 PolarHBondContact O-N 3.47Å; W1616-V1618 PolarHBondContact O-N 3.06Å; W1616-W1624 HydrophobicContact CD2-CH2 4.36Å; W1616-W1624 HydrophobicContact CD2-CZ2 4.2Å; W1616-W1624 AromaticContact CE2-CH2 3.64Å; W1616-W1624 AromaticContact CE2-CZ2 3.92Å; W1616-W1624 AromaticContact CZ2-CH2 3.8Å; W1616-W1624 HydrophobicContact CZ2-CH2 3.8Å; W1616-W1624 HydrophobicContact CZ2-CZ2 4.17Å; W1616-W1624 AromaticContact NE1-CH2 3.57Å; W1616-W1624 WeakPolarHBondContact O-CZ2 3.44Å; W1616-I1674 HydrophobicContact CD2-CG1 4.38Å; W1616-I1674 HydrophobicContact CE3-CG1 4.43Å; W1616-I1674 HydrophobicContact CH2-CG1 4.14Å; W1616-I1674 HydrophobicContact CZ2-CB 4.33Å; W1616-I1674 HydrophobicContact CZ2-CG1 4.09Å; W1616-I1674 HydrophobicContact CZ2-CG2 3.87Å; W1616-I1674 HydrophobicContact CZ3-CG1 4.31Å; W1616-L1682 HydrophobicContact CH2-CD1 4.25Å; W1616-L1682 HydrophobicContact CZ2-CD1 4.14Å; W1616-T1686 HydrophobicContact CZ2-CG2 4.14Å; W1616-T1686 PolarHBondContact NE1-O 3.04Å; W1616-L1702 HydrophobicContact CB-CD1 4.12Å |
| 1617 | M | 86.1 | Confident | 80.3 | Confident | 74 Ų | 74 | 52.5 Ų | 52.5 | 37% | 0.365 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.1 | -31.9 | -177.6 | -74.9 | 176.7 | 69.1 | 0 | 0 | 112.9 | L1511 L1613 I1614 P1619 W1624 | L1511-M1617 HydrophobicContact CD2-CB 4.31Å; L1511-M1617 HydrophobicContact CD2-CE 3.86Å; L1511-M1617 HydrophobicContact CD2-SD 4.06Å; L1613-M1617 HydrophobicContact CD1-CG 4.2Å; L1613-M1617 HydrophobicContact CD1-SD 4.28Å; L1613-M1617 HydrophobicContact CD2-SD 4.45Å; L1613-M1617 HydrophobicContact CG-CG 4.3Å; L1613-M1617 HydrophobicContact CG-SD 3.89Å; L1613-M1617 WeakPolarHBondContact O-CB 3.47Å; L1613-M1617 VanDerWaalsContact O-CG 3.28Å; L1613-M1617 WeakPolarHBondContact O-CG 3.45Å; L1613-M1617 PolarHBondContact O-N 3.33Å; I1614-M1617 PolarHBondContact O-N 2.85Å; M1617-P1619 WeakPolarHBondContact O-CD 3.34Å; M1617-W1624 PolarHBondContact O-NE1 3.07Å |
| 1618 | V | 86.2 | Confident | 79.5 | Confident | 16 Ų | 16 | 59 Ų | 59 | 10% | 0.097 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -122 | 79.8 | -180 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | H1507 R1508 L1511 I1614 W1616 | H1507-V1618 HydrophobicContact CB-CG1 4.25Å; R1508-V1618 HydrophobicContact CG-CB 3.77Å; R1508-V1618 HydrophobicContact CG-CG1 3.9Å; R1508-V1618 HydrophobicContact CG-CG2 4.4Å; R1508-V1618 PolarHBondContact NE-O 3.02Å; R1508-V1618 PolarHBondContact NH2-O 2.78Å; L1511-V1618 HydrophobicContact CD2-CG2 4.24Å; I1614-V1618 PolarHBondContact O-N 2.77Å; W1616-V1618 PolarHBondContact O-N 3.06Å |
| 1619 | P | 79.7 | Confident | 78.6 | Confident | 22 Ų | 22 | 57 Ų | 57 | 14% | 0.143 | 27% | 0.267 | C | S | . | . | trans | -64.5 | 144.1 | -177.9 | 23.5 | -31.4 | 0 | 0 | 0 | 112.5 | R1504 M1617 R1622 | R1504-P1619 PolarHBondContact NE-O 3.06Å; M1617-P1619 WeakPolarHBondContact O-CD 3.34Å; P1619-R1622 HydrophobicContact CB-CB 4.25Å; P1619-R1622 HydrophobicContact CG-CB 4.4Å; P1619-R1622 WeakPolarHBondContact CG-O 3.33Å | ||
| 1620 | V | 71.1 | Confident | 78.2 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 14% | 0.139 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -66.7 | -53.6 | -175.8 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | F1500 R1508 | F1500-V1620 VanDerWaalsContact CE1-O 3.26Å; F1500-V1620 WeakPolarHBondContact CE1-O 3.27Å; R1508-V1620 VanDerWaalsContact NH2-CG2 3.28Å |
| 1621 | D | 68.6 | Low | 77.6 | Confident | 140 Ų | 140 | 65 Ų | 65 | 75% | 0.749 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -109.3 | 5.9 | -169.1 | -52.6 | -40.6 | 0 | 0 | 0 | 113.7 | ||
| 1622 | R | 66.7 | Low | 77.1 | Confident | 90 Ų | 90 | 67.2 Ų | 67.2 | 34% | 0.34 | 31% | 0.308 | S | S | . | . | trans | -129.6 | 155.5 | -172.5 | -57.3 | -175.3 | -170.7 | -175.1 | 5.1 | 110.7 | R1504 P1619 G1688 K1689 | R1504-R1622 PolarHBondContact NH2-O 3.49Å; P1619-R1622 HydrophobicContact CB-CB 4.25Å; P1619-R1622 HydrophobicContact CG-CB 4.4Å; P1619-R1622 WeakPolarHBondContact CG-O 3.33Å; R1622-G1688 PolarHBondContact NH1-O 3.11Å; R1622-G1688 PolarHBondContact NH2-O 2.86Å; R1622-K1689 PolarHBondContact NH1-O 3.35Å; R1622-K1689 PolarHBondContact NH2-O 2.96Å; R1622-K1689 VanDerWaalsContact NH2-O 3.13Å | ||
| 1623 | R | 64.4 | Low | 76.8 | Confident | 186 Ų | 186 | 67.1 Ų | 67.1 | 70% | 0.702 | 31% | 0.306 | S | S | * | . | trans | -106.1 | 141.8 | 165.4 | -67.1 | -175.2 | -178.9 | -171.1 | 0.9 | 107.5 | N1625 | R1623-N1625 PolarHBondContact O-N 2.83Š| ||
| 1624 | W | 70.9 | Confident | 76.5 | Confident | 75 Ų | 75 | 69.7 Ų | 69.7 | 28% | 0.284 | 32% | 0.319 | S | S | . | . | trans | -61.6 | 122.3 | 166 | -69.9 | 118.6 | 0 | 0 | 0 | 107.8 | W1616 M1617 L1682 I1685 | W1616-W1624 HydrophobicContact CD2-CH2 4.36Å; W1616-W1624 HydrophobicContact CD2-CZ2 4.2Å; W1616-W1624 AromaticContact CE2-CH2 3.64Å; W1616-W1624 AromaticContact CE2-CZ2 3.92Å; W1616-W1624 AromaticContact CZ2-CH2 3.8Å; W1616-W1624 HydrophobicContact CZ2-CH2 3.8Å; W1616-W1624 HydrophobicContact CZ2-CZ2 4.17Å; W1616-W1624 AromaticContact NE1-CH2 3.57Å; W1616-W1624 WeakPolarHBondContact O-CZ2 3.44Å; M1617-W1624 PolarHBondContact O-NE1 3.07Å; W1624-L1682 HydrophobicContact CB-CD2 4.32Å; W1624-L1682 HydrophobicContact CD2-CD1 4.47Å; W1624-L1682 HydrophobicContact CD2-CD2 4.11Å; W1624-L1682 HydrophobicContact CE3-CB 4.15Å; W1624-L1682 HydrophobicContact CE3-CD1 3.92Å; W1624-L1682 HydrophobicContact CE3-CD2 3.67Å; W1624-L1682 HydrophobicContact CE3-CG 4.12Å; W1624-L1682 HydrophobicContact CG-CD2 4.43Å; W1624-L1682 HydrophobicContact CH2-CD1 4Å; W1624-L1682 HydrophobicContact CZ3-CB 4.01Å; W1624-L1682 HydrophobicContact CZ3-CD1 3.68Å; W1624-L1682 HydrophobicContact CZ3-CD2 4.25Å; W1624-L1682 HydrophobicContact CZ3-CG 4.19Å; W1624-I1685 HydrophobicContact CE3-CG2 4.17Å; W1624-I1685 HydrophobicContact CZ3-CG2 4.2Å | ||
| 1625 | N | 65.6 | Low | 76.3 | Confident | 93 Ų | 93 | 76.9 Ų | 76.9 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | trans | -106.6 | 86.5 | 173.3 | -170.5 | 24.9 | 0 | 0 | 0 | 106.7 | R1623 Q1627 I1685 | R1623-N1625 PolarHBondContact O-N 2.83Å; N1625-Q1627 PolarHBondContact O-N 3.14Å; N1625-I1685 HydrophobicContact CB-CD1 3.95Å | ||
| 1626 | Y | 66.4 | Low | 76.1 | Confident | 136 Ų | 136 | 77.6 Ų | 77.6 | 53% | 0.533 | 35% | 0.354 | S | S | . | . | trans | -69 | 118.6 | 178.2 | -176.4 | -94.8 | 0 | 0 | 0 | 108.9 | L1682 | Y1626-L1682 HydrophobicContact CD2-CD2 4.22Š| ||
| 1627 | Q | 67.7 | Low | 76 | Confident | 48 Ų | 48 | 77.1 Ų | 77.1 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | trans | -104.4 | 132.5 | 172.4 | -64.2 | 177 | -29.5 | 0 | 0 | 108 | N1625 P1629 G1681 E1776 | N1625-Q1627 PolarHBondContact O-N 3.14Å; Q1627-P1629 VanDerWaalsContact O-CD 3.29Å; Q1627-P1629 WeakPolarHBondContact O-CD 3.28Å; Q1627-G1681 PolarHBondContact N-O 3.13Å; Q1627-G1681 CarbonylContact O-C 3.57Å; Q1627-G1681 WeakPolarHBondContact O-CA 3.48Å; Q1627-E1776 VanDerWaalsContact CD-OE1 3.24Å; Q1627-E1776 PolarHBondContact NE2-OE1 3.35Å; Q1627-E1776 VanDerWaalsContact NE2-OE1 3.1Å; Q1627-E1776 PolarHBondContact NE2-OE2 2.95Å; Q1627-E1776 PolarHBondContact OE1-OE1 3.32Å | ||
| 1628 | K | 70.4 | Confident | 76.1 | Confident | 138 Ų | 138 | 78.5 Ų | 78.5 | 60% | 0.6 | 36% | 0.363 | S | S | * | . | trans | -57.4 | 115.8 | 174.4 | -169.4 | 167.2 | -174.7 | 161.3 | 0 | 108.1 | E344 D1630 | E344-K1628 IonicContact OE2-NZ 3.47Å; E344-K1628 PolarHBondContact OE2-NZ 3.16Å; K1628-D1630 PolarHBondContact O-N 2.97Å | ||
| 1629 | P | 73.1 | Confident | 76.2 | Confident | 20 Ų | 20 | 81.7 Ų | 81.7 | 13% | 0.13 | 38% | 0.384 | C | S | . | . | trans | -69.7 | 130.8 | -174.6 | 28.6 | -35.5 | 0 | 0 | 0 | 110.1 | Q1627 R1633 I1634 G1680 | Q1627-P1629 VanDerWaalsContact O-CD 3.29Å; Q1627-P1629 WeakPolarHBondContact O-CD 3.28Å; P1629-R1633 HydrophobicContact CB-CB 4Å; P1629-I1634 HydrophobicContact CB-CG1 4.04Å; P1629-I1634 HydrophobicContact CG-CD1 4.27Å; P1629-I1634 HydrophobicContact CG-CG1 3.94Å; P1629-G1680 WeakPolarHBondContact CG-O 3.48Å | ||
| 1630 | D | 76.6 | Confident | 76.7 | Confident | 72 Ų | 72 | 82.8 Ų | 82.8 | 39% | 0.385 | 39% | 0.385 | S | S | . | . | trans | -64.4 | 161.5 | 171.9 | 65.3 | 49.5 | 0 | 0 | 0 | 111.5 | K1628 R1632 R1633 I1634 | K1628-D1630 PolarHBondContact O-N 2.97Å; D1630-R1632 PolarHBondContact O-N 3.02Å; D1630-R1632 WeakPolarHBondContact OD1-CA 3.4Å; D1630-R1632 WeakPolarHBondContact OD1-CB 3.44Å; D1630-R1632 PolarHBondContact OD1-N 3.17Å; D1630-R1633 WeakPolarHBondContact O-CB 3.36Å; D1630-R1633 PolarHBondContact O-N 2.87Å; D1630-R1633 VanDerWaalsContact O-N 3.1Å; D1630-R1633 WeakPolarHBondContact OD1-CB 3.39Å; D1630-R1633 WeakPolarHBondContact OD1-CG 3.48Å; D1630-R1633 PolarHBondContact OD1-N 3.38Å; D1630-R1633 IonicContact OD2-NE 2.67Å; D1630-R1633 PolarHBondContact OD2-NE 3.12Å; D1630-I1634 PolarHBondContact O-N 3.22Å | ||
| 1631 | Q | 77.8 | Confident | 77.4 | Confident | 156 Ų | 156 | 85.1 Ų | 85.1 | 73% | 0.729 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -54.7 | -29.1 | -179.6 | -79.5 | -169.4 | -1.9 | 0 | 0 | 113.3 | K1635 | Q1631-K1635 WeakPolarHBondContact O-CB 3.14Å; Q1631-K1635 WeakPolarHBondContact O-CG 3.18Å; Q1631-K1635 PolarHBondContact O-N 2.99Å |
| 1632 | R | 79.4 | Confident | 78.4 | Confident | 47 Ų | 47 | 82.5 Ų | 82.5 | 18% | 0.177 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -75.5 | -42.3 | -179.7 | -177.5 | 173.4 | 170 | 166.2 | -9.3 | 110.9 | D1630 I1634 K1635 I1636 L1772 E1844 | D1630-R1632 PolarHBondContact O-N 3.02Å; D1630-R1632 WeakPolarHBondContact OD1-CA 3.4Å; D1630-R1632 WeakPolarHBondContact OD1-CB 3.44Å; D1630-R1632 PolarHBondContact OD1-N 3.17Å; R1632-I1634 VanDerWaalsContact C-N 3.33Å; R1632-K1635 PolarHBondContact O-N 3.36Å; R1632-I1636 HydrophobicContact CG-CD1 4.2Å; R1632-I1636 WeakPolarHBondContact O-CD1 3.4Å; R1632-I1636 VanDerWaalsContact O-CG1 3.28Å; R1632-I1636 WeakPolarHBondContact O-CG1 3.34Å; R1632-I1636 PolarHBondContact O-N 2.91Å; R1632-L1772 VanDerWaalsContact CZ-O 3.25Å; R1632-L1772 PolarHBondContact NE-O 2.89Å; R1632-L1772 PolarHBondContact NH2-O 3.44Å; R1632-E1844 IonicContact CZ-OE1 2.89Å; R1632-E1844 IonicContact CZ-OE2 3.73Å; R1632-E1844 IonicContact NE-OE2 3.22Å; R1632-E1844 IonicContact NH1-OE1 2.68Å; R1632-E1844 PolarHBondContact NH1-OE1 3.24Å; R1632-E1844 IonicContact NH1-OE2 2.91Å; R1632-E1844 PolarHBondContact NH1-OE2 2.83Å |
| 1633 | R | 84.9 | Confident | 79.4 | Confident | 15 Ų | 15 | 79.2 Ų | 79.2 | 6% | 0.057 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.1 | -44 | 170.6 | -76 | -177.2 | -164.8 | -158.7 | 1.7 | 110.7 | P1629 D1630 I1636 A1637 Y1679 V1773 E1776 | P1629-R1633 HydrophobicContact CB-CB 4Å; D1630-R1633 WeakPolarHBondContact O-CB 3.36Å; D1630-R1633 PolarHBondContact O-N 2.87Å; D1630-R1633 VanDerWaalsContact O-N 3.1Å; D1630-R1633 WeakPolarHBondContact OD1-CB 3.39Å; D1630-R1633 WeakPolarHBondContact OD1-CG 3.48Å; D1630-R1633 PolarHBondContact OD1-N 3.38Å; D1630-R1633 IonicContact OD2-NE 2.67Å; D1630-R1633 PolarHBondContact OD2-NE 3.12Å; R1633-I1636 PolarHBondContact O-N 3.02Å; R1633-A1637 WeakPolarHBondContact O-CB 3.37Å; R1633-A1637 PolarHBondContact O-N 3.31Å; R1633-Y1679 WeakPolarHBondContact CB-O 3.29Å; R1633-V1773 HydrophobicContact CG-CG1 4Å; R1633-V1773 HydrophobicContact CG-CG2 3.93Å; R1633-E1776 IonicContact CZ-OE1 3.08Å; R1633-E1776 IonicContact NH1-OE1 3.63Å; R1633-E1776 IonicContact NH2-OE1 2.81Å; R1633-E1776 PolarHBondContact NH2-OE1 2.91Å |
| 1634 | I | 83.3 | Confident | 80.6 | Confident | 84 Ų | 84 | 70.5 Ų | 70.5 | 43% | 0.431 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 173.9 | -64.5 | 170.5 | 0 | 0 | 0 | 111.4 | P1629 D1630 R1632 I1636 A1637 L1638 | P1629-I1634 HydrophobicContact CB-CG1 4.04Å; P1629-I1634 HydrophobicContact CG-CD1 4.27Å; P1629-I1634 HydrophobicContact CG-CG1 3.94Å; D1630-I1634 PolarHBondContact O-N 3.22Å; R1632-I1634 VanDerWaalsContact C-N 3.33Å; I1634-I1636 PolarHBondContact O-N 3.29Å; I1634-A1637 PolarHBondContact O-N 3.28Å; I1634-A1637 VanDerWaalsContact O-N 3.1Å; I1634-L1638 PolarHBondContact O-N 2.95Å |
| 1635 | K | 85.5 | Confident | 81.2 | Confident | 152 Ų | 152 | 68.4 Ų | 68.4 | 66% | 0.661 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.8 | -31.6 | 175.9 | -79.7 | 178.5 | -179.6 | 177.6 | 0 | 113.1 | Q1631 R1632 P1639 | Q1631-K1635 WeakPolarHBondContact O-CB 3.14Å; Q1631-K1635 WeakPolarHBondContact O-CG 3.18Å; Q1631-K1635 PolarHBondContact O-N 2.99Å; R1632-K1635 PolarHBondContact O-N 3.36Å; K1635-P1639 WeakPolarHBondContact O-CD 3.1Å |
| 1636 | I | 86.4 | Confident | 82.3 | Confident | 23 Ų | 23 | 67.2 Ų | 67.2 | 12% | 0.118 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -79.8 | -35 | 175.3 | -63.3 | 159.9 | 0 | 0 | 0 | 111 | R1632 R1633 I1634 P1639 Y1640 Y1679 L1772 V1773 | R1632-I1636 HydrophobicContact CG-CD1 4.2Å; R1632-I1636 WeakPolarHBondContact O-CD1 3.4Å; R1632-I1636 VanDerWaalsContact O-CG1 3.28Å; R1632-I1636 WeakPolarHBondContact O-CG1 3.34Å; R1632-I1636 PolarHBondContact O-N 2.91Å; R1633-I1636 PolarHBondContact O-N 3.02Å; I1634-I1636 PolarHBondContact O-N 3.29Å; I1636-P1639 WeakPolarHBondContact O-CD 3.27Å; I1636-Y1640 HydrophobicContact CG2-CE2 4.1Å; I1636-Y1640 WeakPolarHBondContact O-CD2 3.5Å; I1636-Y1640 WeakPolarHBondContact O-CE2 3.45Å; I1636-Y1679 HydrophobicContact CB-CD1 4.04Å; I1636-Y1679 HydrophobicContact CB-CE1 4.41Å; I1636-Y1679 HydrophobicContact CB-CG 4.36Å; I1636-Y1679 HydrophobicContact CG2-CD1 3.51Å; I1636-Y1679 HydrophobicContact CG2-CD2 4.01Å; I1636-Y1679 HydrophobicContact CG2-CE1 3.52Å; I1636-Y1679 HydrophobicContact CG2-CE2 4.01Å; I1636-Y1679 HydrophobicContact CG2-CG 3.77Å; I1636-L1772 HydrophobicContact CD1-CB 3.76Å; I1636-L1772 HydrophobicContact CG1-CB 4.48Å; I1636-V1773 HydrophobicContact CD1-CG2 3.74Å |
| 1637 | A | 86.2 | Confident | 83.4 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.7 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1633 I1634 Y1640 V1641 | R1633-A1637 WeakPolarHBondContact O-CB 3.37Å; R1633-A1637 PolarHBondContact O-N 3.31Å; I1634-A1637 PolarHBondContact O-N 3.28Å; I1634-A1637 VanDerWaalsContact O-N 3.1Å; A1637-Y1640 WeakPolarHBondContact O-CB 3.39Å; A1637-Y1640 PolarHBondContact O-N 2.81Å; A1637-V1641 PolarHBondContact O-N 3.09Å; A1637-V1641 VanDerWaalsContact O-N 3.11Å |
| 1638 | L | 87 | Confident | 84.2 | Confident | 104 Ų | 104 | 62.8 Ų | 62.8 | 55% | 0.545 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.3 | -47.1 | -174.8 | -177.6 | 69 | 0 | 0 | 0 | 113.6 | I1634 Y1640 V1641 V1642 | I1634-L1638 PolarHBondContact O-N 2.95Å; L1638-Y1640 VanDerWaalsContact C-N 3.26Å; L1638-Y1640 PolarHBondContact O-N 2.91Å; L1638-V1641 PolarHBondContact O-N 3.06Å; L1638-V1641 VanDerWaalsContact O-N 3.12Å; L1638-V1642 HydrophobicContact CD1-CG2 4.14Å; L1638-V1642 HydrophobicContact CG-CG2 4.2Å; L1638-V1642 WeakPolarHBondContact O-CB 3.37Å; L1638-V1642 WeakPolarHBondContact O-CG2 3.49Å; L1638-V1642 PolarHBondContact O-N 3.17Å |
| 1639 | P | 88.4 | Confident | 84.8 | Confident | 83 Ų | 83 | 60.5 Ų | 60.5 | 54% | 0.539 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -55.1 | -34.8 | 172.4 | -28.3 | 32.7 | 0 | 0 | 0 | 115.1 | K1635 I1636 G1643 | K1635-P1639 WeakPolarHBondContact O-CD 3.1Å; I1636-P1639 WeakPolarHBondContact O-CD 3.27Å; P1639-G1643 PolarHBondContact O-N 3.14Å |
| 1640 | Y | 89.7 | Confident | 85.5 | Confident | 44 Ų | 44 | 63.3 Ų | 63.3 | 17% | 0.173 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.3 | -41.4 | 176 | -64.5 | -85.5 | 0 | 0 | 0 | 111.2 | I1636 A1637 L1638 G1643 A1644 L1672 I1675 Y1679 M1710 | I1636-Y1640 HydrophobicContact CG2-CE2 4.1Å; I1636-Y1640 WeakPolarHBondContact O-CD2 3.5Å; I1636-Y1640 WeakPolarHBondContact O-CE2 3.45Å; A1637-Y1640 WeakPolarHBondContact O-CB 3.39Å; A1637-Y1640 PolarHBondContact O-N 2.81Å; L1638-Y1640 VanDerWaalsContact C-N 3.26Å; L1638-Y1640 PolarHBondContact O-N 2.91Å; Y1640-G1643 PolarHBondContact O-N 3.41Å; Y1640-A1644 PolarHBondContact O-N 3.03Å; Y1640-L1672 HydrophobicContact CD1-CD2 3.75Å; Y1640-I1675 HydrophobicContact CD1-CB 4.2Å; Y1640-I1675 HydrophobicContact CD1-CG2 3.8Å; Y1640-I1675 HydrophobicContact CD2-CG2 4.47Å; Y1640-I1675 HydrophobicContact CE1-CB 4.28Å; Y1640-I1675 HydrophobicContact CE1-CG2 3.47Å; Y1640-I1675 VanDerWaalsContact CE1-CG2 3.47Å; Y1640-I1675 HydrophobicContact CE2-CG2 4.21Å; Y1640-I1675 HydrophobicContact CG-CG2 4.31Å; Y1640-Y1679 HydrophobicContact CD2-CD2 4.09Å; Y1640-Y1679 HydrophobicContact CD2-CE2 4.38Å; Y1640-Y1679 AromaticContact CE2-CD2 3.69Å; Y1640-Y1679 HydrophobicContact CE2-CD2 3.69Å; Y1640-Y1679 AromaticContact CE2-CE2 3.56Å; Y1640-Y1679 HydrophobicContact CE2-CE2 3.56Å; Y1640-Y1679 AromaticContact CZ-CE2 3.86Å; Y1640-M1710 HydrophobicContact CE1-CE 4.24Å |
| 1641 | V | 86.8 | Confident | 85.8 | Confident | 73 Ų | 73 | 61.6 Ų | 61.6 | 44% | 0.442 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 176.3 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | A1637 L1638 A1644 G1645 | A1637-V1641 PolarHBondContact O-N 3.09Å; A1637-V1641 VanDerWaalsContact O-N 3.11Å; L1638-V1641 PolarHBondContact O-N 3.06Å; L1638-V1641 VanDerWaalsContact O-N 3.12Å; V1641-A1644 WeakPolarHBondContact O-CB 3.5Å; V1641-A1644 PolarHBondContact O-N 3.38Å; V1641-G1645 PolarHBondContact O-N 2.88Å |
| 1642 | V | 88.6 | Confident | 85.6 | Confident | 84 Ų | 84 | 59.6 Ų | 59.6 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 174.6 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | L1638 A1644 G1645 S1646 | L1638-V1642 HydrophobicContact CD1-CG2 4.14Å; L1638-V1642 HydrophobicContact CG-CG2 4.2Å; L1638-V1642 WeakPolarHBondContact O-CB 3.37Å; L1638-V1642 WeakPolarHBondContact O-CG2 3.49Å; L1638-V1642 PolarHBondContact O-N 3.17Å; V1642-A1644 VanDerWaalsContact C-N 3.3Å; V1642-A1644 PolarHBondContact O-N 3.38Å; V1642-G1645 CarbonylContact O-C 3.53Å; V1642-G1645 PolarHBondContact O-N 3.4Å; V1642-G1645 VanDerWaalsContact O-N 3.17Å; V1642-S1646 PolarHBondContact O-N 2.86Å; V1642-S1646 PolarHBondContact O-OG 2.84Å; V1642-S1646 VanDerWaalsContact O-OG 3.09Å |
| 1643 | G | 89.2 | Confident | 85.7 | Confident | 22 Ų | 22 | 61.9 Ų | 61.9 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.8 | -39 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1639 Y1640 S1646 C1647 L1672 | P1639-G1643 PolarHBondContact O-N 3.14Å; Y1640-G1643 PolarHBondContact O-N 3.41Å; G1643-S1646 PolarHBondContact O-N 2.92Å; G1643-C1647 PolarHBondContact O-N 3.15Å; G1643-C1647 PolarHBondContact O-SG 2.84Å; G1643-C1647 VanDerWaalsContact O-SG 3.41Å; G1643-L1672 VanDerWaalsContact C-CD1 3.45Å |
| 1644 | A | 88.5 | Confident | 85.6 | Confident | 3 Ų | 3 | 62 Ų | 62 | 3% | 0.025 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y1640 V1641 V1642 S1646 C1647 I1648 V1669 L1672 L1673 | Y1640-A1644 PolarHBondContact O-N 3.03Å; V1641-A1644 WeakPolarHBondContact O-CB 3.5Å; V1641-A1644 PolarHBondContact O-N 3.38Å; V1642-A1644 VanDerWaalsContact C-N 3.3Å; V1642-A1644 PolarHBondContact O-N 3.38Å; A1644-S1646 PolarHBondContact O-N 2.75Å; A1644-C1647 PolarHBondContact O-N 3.36Å; A1644-I1648 WeakPolarHBondContact O-CG1 3.45Å; A1644-I1648 PolarHBondContact O-N 2.84Å; A1644-V1669 HydrophobicContact CB-CG1 4.34Å; A1644-L1672 HydrophobicContact CB-CB 4.08Å; A1644-L1672 HydrophobicContact CB-CD1 4.49Å; A1644-L1673 HydrophobicContact CB-CD2 4.05Å; A1644-L1673 HydrophobicContact CB-CG 4Å |
| 1645 | G | 83.8 | Confident | 85 | Confident | 30 Ų | 30 | 63.2 Ų | 63.2 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.4 | -43.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1641 V1642 C1647 I1648 V1649 | V1641-G1645 PolarHBondContact O-N 2.88Å; V1642-G1645 CarbonylContact O-C 3.53Å; V1642-G1645 PolarHBondContact O-N 3.4Å; V1642-G1645 VanDerWaalsContact O-N 3.17Å; G1645-C1647 VanDerWaalsContact C-N 3.32Å; G1645-C1647 PolarHBondContact O-N 3.12Å; G1645-I1648 WeakPolarHBondContact O-CB 3.31Å; G1645-I1648 PolarHBondContact O-N 3.15Å; G1645-I1648 VanDerWaalsContact O-N 3.12Å; G1645-V1649 WeakPolarHBondContact O-CG2 3.39Å; G1645-V1649 PolarHBondContact O-N 2.78Å |
| 1646 | S | 88.2 | Confident | 84.2 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 48% | 0.483 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 175.4 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | V1642 G1643 A1644 L1650 | V1642-S1646 PolarHBondContact O-N 2.86Å; V1642-S1646 PolarHBondContact O-OG 2.84Å; V1642-S1646 VanDerWaalsContact O-OG 3.09Å; G1643-S1646 PolarHBondContact O-N 2.92Å; A1644-S1646 PolarHBondContact O-N 2.75Å; S1646-L1650 VanDerWaalsContact O-CB 3.31Å; S1646-L1650 WeakPolarHBondContact O-CB 3.47Å; S1646-L1650 PolarHBondContact O-N 3.27Å |
| 1647 | C | 89.4 | Confident | 83.7 | Confident | 24 Ų | 24 | 67.8 Ų | 67.8 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.5 | -35 | 173.4 | -72.1 | 0 | 0 | 0 | 0 | 112.4 | G1643 A1644 G1645 M1651 V1669 | G1643-C1647 PolarHBondContact O-N 3.15Å; G1643-C1647 PolarHBondContact O-SG 2.84Å; G1643-C1647 VanDerWaalsContact O-SG 3.41Å; A1644-C1647 PolarHBondContact O-N 3.36Å; G1645-C1647 VanDerWaalsContact C-N 3.32Å; G1645-C1647 PolarHBondContact O-N 3.12Å; C1647-M1651 VanDerWaalsContact O-CB 3.28Å; C1647-M1651 WeakPolarHBondContact O-CB 3.38Å; C1647-M1651 PolarHBondContact O-N 3.23Å; C1647-V1669 HydrophobicContact CB-CG2 3.45Å; C1647-V1669 VanDerWaalsContact CB-CG2 3.45Å |
| 1648 | I | 84.1 | Confident | 82.3 | Confident | 67 Ų | 67 | 75.9 Ų | 75.9 | 34% | 0.344 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.5 | -46.6 | 174 | -66.3 | 167.4 | 0 | 0 | 0 | 110.5 | A1644 G1645 L1650 M1651 E1652 V1669 | A1644-I1648 WeakPolarHBondContact O-CG1 3.45Å; A1644-I1648 PolarHBondContact O-N 2.84Å; G1645-I1648 WeakPolarHBondContact O-CB 3.31Å; G1645-I1648 PolarHBondContact O-N 3.15Å; G1645-I1648 VanDerWaalsContact O-N 3.12Å; I1648-L1650 VanDerWaalsContact C-N 3.33Å; I1648-L1650 PolarHBondContact O-N 3.03Å; I1648-M1651 WeakPolarHBondContact O-CA 3.39Å; I1648-M1651 VanDerWaalsContact O-CB 3.29Å; I1648-M1651 WeakPolarHBondContact O-CB 3.27Å; I1648-M1651 PolarHBondContact O-N 2.64Å; I1648-M1651 VanDerWaalsContact O-N 3.08Å; I1648-E1652 PolarHBondContact O-N 2.91Å; I1648-V1669 HydrophobicContact CD1-CG1 4.12Å; I1648-V1669 HydrophobicContact CG1-CG1 4.15Å; I1648-V1669 HydrophobicContact CG1-CG2 3.76Å |
| 1649 | V | 84.4 | Confident | 81.3 | Confident | 89 Ų | 89 | 74 Ų | 74 | 54% | 0.539 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 175.9 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | G1645 M1651 E1652 L1653 | G1645-V1649 WeakPolarHBondContact O-CG2 3.39Å; G1645-V1649 PolarHBondContact O-N 2.78Å; V1649-M1651 VanDerWaalsContact C-N 3.29Å; V1649-M1651 PolarHBondContact O-N 2.91Å; V1649-E1652 PolarHBondContact O-N 3.13Å; V1649-L1653 WeakPolarHBondContact O-CB 3.49Å; V1649-L1653 PolarHBondContact O-N 3.06Å |
| 1650 | L | 87.6 | Confident | 79.7 | Confident | 80 Ų | 80 | 78.5 Ų | 78.5 | 42% | 0.419 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 174.7 | -176.7 | 64.3 | 0 | 0 | 0 | 111.4 | S1646 I1648 L1653 M1654 L1665 | S1646-L1650 VanDerWaalsContact O-CB 3.31Å; S1646-L1650 WeakPolarHBondContact O-CB 3.47Å; S1646-L1650 PolarHBondContact O-N 3.27Å; I1648-L1650 VanDerWaalsContact C-N 3.33Å; I1648-L1650 PolarHBondContact O-N 3.03Å; L1650-L1653 PolarHBondContact O-N 2.66Å; L1650-M1654 HydrophobicContact CD1-CG 4.29Å; L1650-M1654 HydrophobicContact CD1-SD 4.37Å; L1650-M1654 HydrophobicContact CG-CG 4.37Å; L1650-M1654 HydrophobicContact CG-SD 4.02Å; L1650-M1654 VanDerWaalsContact O-CB 3.27Å; L1650-M1654 WeakPolarHBondContact O-CB 3.25Å; L1650-M1654 WeakPolarHBondContact O-CG 3.37Å; L1650-M1654 PolarHBondContact O-N 3.46Å; L1650-L1665 HydrophobicContact CB-CD1 4.12Å; L1650-L1665 HydrophobicContact CD2-CD1 4.12Å; L1650-L1665 HydrophobicContact CD2-CD2 4.11Å; L1650-L1665 HydrophobicContact CG-CD1 3.89Å |
| 1651 | M | 83 | Confident | 78.9 | Confident | 35 Ų | 35 | 82.8 Ų | 82.8 | 17% | 0.172 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.6 | -48.4 | 175.4 | -175.9 | -178.7 | 74.4 | 0 | 0 | 110.9 | C1647 I1648 V1649 L1653 M1654 M1655 L1665 C1666 | C1647-M1651 VanDerWaalsContact O-CB 3.28Å; C1647-M1651 WeakPolarHBondContact O-CB 3.38Å; C1647-M1651 PolarHBondContact O-N 3.23Å; I1648-M1651 WeakPolarHBondContact O-CA 3.39Å; I1648-M1651 VanDerWaalsContact O-CB 3.29Å; I1648-M1651 WeakPolarHBondContact O-CB 3.27Å; I1648-M1651 PolarHBondContact O-N 2.64Å; I1648-M1651 VanDerWaalsContact O-N 3.08Å; V1649-M1651 VanDerWaalsContact C-N 3.29Å; V1649-M1651 PolarHBondContact O-N 2.91Å; M1651-L1653 PolarHBondContact O-N 2.94Å; M1651-M1654 PolarHBondContact O-N 3.43Å; M1651-M1655 HydrophobicContact CG-SD 4.16Å; M1651-M1655 WeakPolarHBondContact O-CB 3.45Å; M1651-M1655 VanDerWaalsContact O-CG 3.25Å; M1651-M1655 WeakPolarHBondContact O-CG 3.34Å; M1651-M1655 PolarHBondContact O-N 3.46Å; M1651-L1665 VanDerWaalsContact CA-CD1 3.43Å; M1651-L1665 HydrophobicContact CB-CB 3.96Å; M1651-L1665 HydrophobicContact CB-CD1 3.7Å; M1651-L1665 HydrophobicContact CB-CG 4.48Å; M1651-L1665 HydrophobicContact CG-CB 4.33Å; M1651-L1665 HydrophobicContact CG-CD1 4.45Å; M1651-C1666 VanDerWaalsContact SD-SG 3.61Å |
| 1652 | E | 73.8 | Confident | 78.3 | Confident | 115 Ų | 115 | 79.7 Ų | 79.7 | 54% | 0.537 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 174.4 | -74.2 | -178.3 | 168.1 | 0 | 0 | 111.7 | I1648 V1649 M1654 M1655 M1656 | I1648-E1652 PolarHBondContact O-N 2.91Å; V1649-E1652 PolarHBondContact O-N 3.13Å; E1652-M1654 PolarHBondContact O-N 3.13Å; E1652-M1655 PolarHBondContact O-N 3.45Å; E1652-M1656 WeakPolarHBondContact O-CG 3.23Å; E1652-M1656 PolarHBondContact O-N 3.27Å |
| 1653 | L | 81 | Confident | 77.4 | Confident | 94 Ų | 94 | 78.6 Ų | 78.6 | 49% | 0.492 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 178.2 | -165.4 | 117 | 0 | 0 | 0 | 111.8 | V1649 L1650 M1651 M1656 I1657 | V1649-L1653 WeakPolarHBondContact O-CB 3.49Å; V1649-L1653 PolarHBondContact O-N 3.06Å; L1650-L1653 PolarHBondContact O-N 2.66Å; M1651-L1653 PolarHBondContact O-N 2.94Å; L1653-M1656 PolarHBondContact O-N 3.47Å; L1653-I1657 HydrophobicContact CD2-CD1 3.98Å; L1653-I1657 HydrophobicContact CG-CD1 4.34Å; L1653-I1657 WeakPolarHBondContact O-CD1 3.22Å; L1653-I1657 VanDerWaalsContact O-CG1 3.25Å; L1653-I1657 WeakPolarHBondContact O-CG1 3.34Å; L1653-I1657 PolarHBondContact O-N 2.89Å |
| 1654 | M | 83.7 | Confident | 76.9 | Confident | 17 Ų | 17 | 84 Ų | 84 | 8% | 0.084 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -69.2 | -35.9 | 175.3 | -74.2 | 179.4 | 71 | 0 | 0 | 112.2 | L1650 M1651 E1652 I1657 Q1658 L1659 W1661 L1665 | L1650-M1654 HydrophobicContact CD1-CG 4.29Å; L1650-M1654 HydrophobicContact CD1-SD 4.37Å; L1650-M1654 HydrophobicContact CG-CG 4.37Å; L1650-M1654 HydrophobicContact CG-SD 4.02Å; L1650-M1654 VanDerWaalsContact O-CB 3.27Å; L1650-M1654 WeakPolarHBondContact O-CB 3.25Å; L1650-M1654 WeakPolarHBondContact O-CG 3.37Å; L1650-M1654 PolarHBondContact O-N 3.46Å; M1651-M1654 PolarHBondContact O-N 3.43Å; E1652-M1654 PolarHBondContact O-N 3.13Å; M1654-I1657 CarbonylContact O-C 3.58Å; M1654-I1657 PolarHBondContact O-N 2.86Å; M1654-Q1658 PolarHBondContact O-N 2.85Å; M1654-L1659 HydrophobicContact CB-CB 4.17Å; M1654-L1659 HydrophobicContact CB-CD1 4.24Å; M1654-L1659 HydrophobicContact CE-CB 4.03Å; M1654-L1659 HydrophobicContact CE-CD1 4Å; M1654-L1659 HydrophobicContact CG-CD1 4.02Å; M1654-L1659 PolarHBondContact O-N 3.42Å; M1654-W1661 HydrophobicContact CE-CD2 3.82Å; M1654-W1661 HydrophobicContact CE-CE3 4.21Å; M1654-W1661 HydrophobicContact CE-CG 4.37Å; M1654-W1661 HydrophobicContact CE-CH2 4.1Å; M1654-W1661 HydrophobicContact CE-CZ2 3.68Å; M1654-W1661 HydrophobicContact CE-CZ3 4.34Å; M1654-L1665 HydrophobicContact SD-CD1 3.7Å |
| 1655 | M | 69.1 | Low | 76.7 | Confident | 110 Ų | 110 | 85 Ų | 85 | 54% | 0.542 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 173.2 | -75.9 | 178.2 | 68.8 | 0 | 0 | 111.3 | M1651 E1652 I1657 Q1658 S1662 | M1651-M1655 HydrophobicContact CG-SD 4.16Å; M1651-M1655 WeakPolarHBondContact O-CB 3.45Å; M1651-M1655 VanDerWaalsContact O-CG 3.25Å; M1651-M1655 WeakPolarHBondContact O-CG 3.34Å; M1651-M1655 PolarHBondContact O-N 3.46Å; E1652-M1655 PolarHBondContact O-N 3.45Å; M1655-I1657 PolarHBondContact O-N 3.06Å; M1655-Q1658 PolarHBondContact O-N 2.75Å; M1655-S1662 WeakPolarHBondContact CG-OG 3.11Å |
| 1656 | M | 69.1 | Low | 76.5 | Confident | 165 Ų | 165 | 86.6 Ų | 86.6 | 81% | 0.813 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.3 | -31.1 | 172.1 | -73.7 | 177.1 | 78.2 | 0 | 0 | 112.4 | E1652 L1653 Q1658 | E1652-M1656 WeakPolarHBondContact O-CG 3.23Å; E1652-M1656 PolarHBondContact O-N 3.27Å; L1653-M1656 PolarHBondContact O-N 3.47Å; M1656-Q1658 VanDerWaalsContact C-N 3.32Å |
| 1657 | I | 75.6 | Confident | 76.5 | Confident | 107 Ų | 107 | 87.4 Ų | 87.4 | 55% | 0.549 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 10 | 176.8 | -53.4 | 159.6 | 0 | 0 | 0 | 111.6 | L1653 M1654 M1655 L1659 | L1653-I1657 HydrophobicContact CD2-CD1 3.98Å; L1653-I1657 HydrophobicContact CG-CD1 4.34Å; L1653-I1657 WeakPolarHBondContact O-CD1 3.22Å; L1653-I1657 VanDerWaalsContact O-CG1 3.25Å; L1653-I1657 WeakPolarHBondContact O-CG1 3.34Å; L1653-I1657 PolarHBondContact O-N 2.89Å; M1654-I1657 CarbonylContact O-C 3.58Å; M1654-I1657 PolarHBondContact O-N 2.86Å; M1655-I1657 PolarHBondContact O-N 3.06Å; I1657-L1659 HydrophobicContact CB-CD1 4.47Å; I1657-L1659 HydrophobicContact CG2-CD1 4.39Å; I1657-L1659 HydrophobicContact CG2-CG 4.37Å; I1657-L1659 PolarHBondContact O-N 3.43Å |
| 1658 | Q | 56.4 | Low | 76.5 | Confident | 178 Ų | 178 | 87.7 Ų | 87.7 | 83% | 0.832 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 31.7 | -179.6 | -59.3 | -169.3 | -14.1 | 0 | 0 | 114.8 | M1654 M1655 M1656 W1660 | M1654-Q1658 PolarHBondContact O-N 2.85Å; M1655-Q1658 PolarHBondContact O-N 2.75Å; M1656-Q1658 VanDerWaalsContact C-N 3.32Å; Q1658-W1660 PolarHBondContact O-N 3.11Å |
| 1659 | L | 66.4 | Low | 76.7 | Confident | 64 Ų | 64 | 85.3 Ų | 85.3 | 34% | 0.335 | 41% | 0.41 | S | S | . | . | trans | -80.3 | 105 | 174.2 | -68.5 | 168.3 | 0 | 0 | 0 | 109.9 | M1654 I1657 W1661 S1662 | M1654-L1659 HydrophobicContact CB-CB 4.17Å; M1654-L1659 HydrophobicContact CB-CD1 4.24Å; M1654-L1659 HydrophobicContact CE-CB 4.03Å; M1654-L1659 HydrophobicContact CE-CD1 4Å; M1654-L1659 HydrophobicContact CG-CD1 4.02Å; M1654-L1659 PolarHBondContact O-N 3.42Å; I1657-L1659 HydrophobicContact CB-CD1 4.47Å; I1657-L1659 HydrophobicContact CG2-CD1 4.39Å; I1657-L1659 HydrophobicContact CG2-CG 4.37Å; I1657-L1659 PolarHBondContact O-N 3.43Å; L1659-W1661 PolarHBondContact O-N 3.15Å; L1659-S1662 VanDerWaalsContact O-CB 3.27Å; L1659-S1662 WeakPolarHBondContact O-CB 3.31Å; L1659-S1662 PolarHBondContact O-N 2.84Å; L1659-S1662 PolarHBondContact O-OG 3.3Å | ||
| 1660 | W | 55.4 | Low | 76.8 | Confident | 179 Ų | 179 | 83 Ų | 83 | 68% | 0.678 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -22.1 | -175.4 | 65.1 | -88.6 | 0 | 0 | 0 | 115.9 | F1466 Q1658 | F1466-W1660 HydrophobicContact CD1-CE3 4.49Å; F1466-W1660 HydrophobicContact CE1-CE3 4.1Å; Q1658-W1660 PolarHBondContact O-N 3.11Å |
| 1661 | W | 72.5 | Confident | 77 | Confident | 134 Ų | 134 | 79.1 Ų | 79.1 | 51% | 0.508 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 5.3 | -178.5 | 59.6 | -67.5 | 0 | 0 | 0 | 113.2 | M1654 L1659 V1663 W1664 | M1654-W1661 HydrophobicContact CE-CD2 3.82Å; M1654-W1661 HydrophobicContact CE-CE3 4.21Å; M1654-W1661 HydrophobicContact CE-CG 4.37Å; M1654-W1661 HydrophobicContact CE-CH2 4.1Å; M1654-W1661 HydrophobicContact CE-CZ2 3.68Å; M1654-W1661 HydrophobicContact CE-CZ3 4.34Å; L1659-W1661 PolarHBondContact O-N 3.15Å; W1661-V1663 VanDerWaalsContact C-N 3.27Å; W1661-V1663 PolarHBondContact O-N 2.75Å; W1661-W1664 WeakPolarHBondContact O-CB 3.25Å; W1661-W1664 PolarHBondContact O-N 2.9Å; W1661-W1664 VanDerWaalsContact O-N 3.13Å |
| 1662 | S | 74.8 | Confident | 77.3 | Confident | 7 Ų | 7 | 79 Ų | 79 | 5% | 0.049 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -54.9 | -37.2 | 175.1 | 49 | 0 | 0 | 0 | 0 | 113.4 | M1655 L1659 W1664 L1665 | M1655-S1662 WeakPolarHBondContact CG-OG 3.11Å; L1659-S1662 VanDerWaalsContact O-CB 3.27Å; L1659-S1662 WeakPolarHBondContact O-CB 3.31Å; L1659-S1662 PolarHBondContact O-N 2.84Å; L1659-S1662 PolarHBondContact O-OG 3.3Å; S1662-W1664 PolarHBondContact O-N 3.31Å; S1662-W1664 VanDerWaalsContact O-N 3.07Å; S1662-L1665 VanDerWaalsContact O-CB 3.24Å; S1662-L1665 WeakPolarHBondContact O-CB 3.28Å; S1662-L1665 WeakPolarHBondContact O-CG 3.47Å; S1662-L1665 PolarHBondContact O-N 3.06Å |
| 1663 | V | 68.5 | Low | 78.1 | Confident | 62 Ų | 62 | 76.8 Ų | 76.8 | 38% | 0.376 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -56.9 | -25.5 | 177.8 | -180 | 0 | 0 | 0 | 0 | 112.8 | W1661 L1665 C1666 | W1661-V1663 VanDerWaalsContact C-N 3.27Å; W1661-V1663 PolarHBondContact O-N 2.75Å; V1663-L1665 PolarHBondContact O-N 3.3Å; V1663-L1665 VanDerWaalsContact O-N 3.12Å; V1663-C1666 WeakPolarHBondContact O-CB 3.22Å; V1663-C1666 PolarHBondContact O-N 2.79Å; V1663-C1666 PolarHBondContact O-SG 2.99Å; V1663-C1666 VanDerWaalsContact O-SG 3.4Å |
| 1664 | W | 79.4 | Confident | 78.4 | Confident | 135 Ų | 135 | 72.4 Ų | 72.4 | 51% | 0.511 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -63.2 | -18.1 | 175.3 | -72.4 | 87.6 | 0 | 0 | 0 | 113.2 | I1605 W1661 S1662 C1666 W1667 P1668 | I1605-W1664 HydrophobicContact CD1-CZ2 4.48Å; W1661-W1664 WeakPolarHBondContact O-CB 3.25Å; W1661-W1664 PolarHBondContact O-N 2.9Å; W1661-W1664 VanDerWaalsContact O-N 3.13Å; S1662-W1664 PolarHBondContact O-N 3.31Å; S1662-W1664 VanDerWaalsContact O-N 3.07Å; W1664-C1666 PolarHBondContact O-N 3.26Å; W1664-W1667 HydrophobicContact CE3-CE3 4.2Å; W1664-W1667 HydrophobicContact CZ3-CE3 4.22Å; W1664-W1667 HydrophobicContact CZ3-CZ3 4.19Å; W1664-W1667 PolarHBondContact O-N 3.49Å; W1664-P1668 WeakPolarHBondContact O-CD 3.3Å |
| 1665 | L | 85 | Confident | 78.7 | Confident | 25 Ų | 25 | 71.8 Ų | 71.8 | 13% | 0.131 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -69.3 | -18.4 | 173.9 | -67.9 | 167.9 | 0 | 0 | 0 | 112.9 | L1650 M1651 M1654 S1662 V1663 W1667 P1668 V1669 | L1650-L1665 HydrophobicContact CB-CD1 4.12Å; L1650-L1665 HydrophobicContact CD2-CD1 4.12Å; L1650-L1665 HydrophobicContact CD2-CD2 4.11Å; L1650-L1665 HydrophobicContact CG-CD1 3.89Å; M1651-L1665 VanDerWaalsContact CA-CD1 3.43Å; M1651-L1665 HydrophobicContact CB-CB 3.96Å; M1651-L1665 HydrophobicContact CB-CD1 3.7Å; M1651-L1665 HydrophobicContact CB-CG 4.48Å; M1651-L1665 HydrophobicContact CG-CB 4.33Å; M1651-L1665 HydrophobicContact CG-CD1 4.45Å; M1654-L1665 HydrophobicContact SD-CD1 3.7Å; S1662-L1665 VanDerWaalsContact O-CB 3.24Å; S1662-L1665 WeakPolarHBondContact O-CB 3.28Å; S1662-L1665 WeakPolarHBondContact O-CG 3.47Å; S1662-L1665 PolarHBondContact O-N 3.06Å; V1663-L1665 PolarHBondContact O-N 3.3Å; V1663-L1665 VanDerWaalsContact O-N 3.12Å; L1665-W1667 PolarHBondContact O-N 3.17Å; L1665-P1668 HydrophobicContact CD2-CG 4.31Å; L1665-P1668 WeakPolarHBondContact O-CD 3.43Å; L1665-P1668 VanDerWaalsContact O-CG 3.24Å; L1665-P1668 WeakPolarHBondContact O-CG 3.26Å; L1665-V1669 WeakPolarHBondContact O-CB 3.43Å; L1665-V1669 WeakPolarHBondContact O-CG2 3.28Å; L1665-V1669 PolarHBondContact O-N 3.36Å; L1665-V1669 VanDerWaalsContact O-N 3.13Å |
| 1666 | C | 79.9 | Confident | 79.6 | Confident | 62 Ų | 62 | 66.7 Ų | 66.7 | 42% | 0.419 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.9 | -30 | 170.2 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | M1651 V1663 W1664 L1670 | M1651-C1666 VanDerWaalsContact SD-SG 3.61Å; V1663-C1666 WeakPolarHBondContact O-CB 3.22Å; V1663-C1666 PolarHBondContact O-N 2.79Å; V1663-C1666 PolarHBondContact O-SG 2.99Å; V1663-C1666 VanDerWaalsContact O-SG 3.4Å; W1664-C1666 PolarHBondContact O-N 3.26Å; C1666-L1670 VanDerWaalsContact O-CB 3.3Å; C1666-L1670 WeakPolarHBondContact O-CB 3.32Å; C1666-L1670 PolarHBondContact O-N 2.76Å |
| 1667 | W | 86.4 | Confident | 80.4 | Confident | 86 Ų | 86 | 66.4 Ų | 66.4 | 33% | 0.326 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.7 | -53.3 | 179.6 | -169.6 | 13.5 | 0 | 0 | 0 | 113.4 | W1664 L1665 V1669 L1670 S1671 W1701 L1704 P1705 | W1664-W1667 HydrophobicContact CE3-CE3 4.2Å; W1664-W1667 HydrophobicContact CZ3-CE3 4.22Å; W1664-W1667 HydrophobicContact CZ3-CZ3 4.19Å; W1664-W1667 PolarHBondContact O-N 3.49Å; L1665-W1667 PolarHBondContact O-N 3.17Å; W1667-V1669 VanDerWaalsContact C-N 3.3Å; W1667-V1669 PolarHBondContact O-N 3.5Å; W1667-L1670 PolarHBondContact O-N 2.9Å; W1667-S1671 VanDerWaalsContact O-CB 3.27Å; W1667-S1671 WeakPolarHBondContact O-CB 3.3Å; W1667-S1671 PolarHBondContact O-N 2.89Å; W1667-W1701 PolarHBondContact NE1-O 2.89Å; W1667-L1704 HydrophobicContact CH2-CD2 3.84Å; W1667-L1704 HydrophobicContact CZ2-CB 3.89Å; W1667-L1704 HydrophobicContact CZ2-CD2 3.78Å; W1667-L1704 HydrophobicContact CZ2-CG 4.34Å; W1667-P1705 HydrophobicContact CB-CG 4.47Å; W1667-P1705 HydrophobicContact CD2-CG 3.69Å; W1667-P1705 HydrophobicContact CE3-CG 4.4Å; W1667-P1705 HydrophobicContact CG-CG 3.66Å; W1667-P1705 HydrophobicContact CZ2-CG 4.46Å; W1667-P1705 VanDerWaalsContact NE1-CD 3.33Å |
| 1668 | P | 89.9 | Confident | 80.9 | Confident | 31 Ų | 31 | 61.3 Ų | 61.3 | 20% | 0.201 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.4 | -35.4 | 172.3 | 23.3 | -31.5 | 0 | 0 | 0 | 112.3 | W1664 L1665 S1671 L1672 P1705 | W1664-P1668 WeakPolarHBondContact O-CD 3.3Å; L1665-P1668 HydrophobicContact CD2-CG 4.31Å; L1665-P1668 WeakPolarHBondContact O-CD 3.43Å; L1665-P1668 VanDerWaalsContact O-CG 3.24Å; L1665-P1668 WeakPolarHBondContact O-CG 3.26Å; P1668-S1671 WeakPolarHBondContact O-CB 3.29Å; P1668-S1671 PolarHBondContact O-N 3.46Å; P1668-L1672 VanDerWaalsContact O-CB 3.3Å; P1668-L1672 WeakPolarHBondContact O-CB 3.3Å; P1668-L1672 WeakPolarHBondContact O-CG 3.34Å; P1668-L1672 PolarHBondContact O-N 3.14Å; P1668-P1705 HydrophobicContact CB-CB 4.21Å |
| 1669 | V | 88.3 | Confident | 82.4 | Confident | 17 Ų | 17 | 53 Ų | 53 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.5 | -55.1 | 172.6 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | A1644 C1647 I1648 L1665 W1667 S1671 L1672 L1673 | A1644-V1669 HydrophobicContact CB-CG1 4.34Å; C1647-V1669 HydrophobicContact CB-CG2 3.45Å; C1647-V1669 VanDerWaalsContact CB-CG2 3.45Å; I1648-V1669 HydrophobicContact CD1-CG1 4.12Å; I1648-V1669 HydrophobicContact CG1-CG1 4.15Å; I1648-V1669 HydrophobicContact CG1-CG2 3.76Å; L1665-V1669 WeakPolarHBondContact O-CB 3.43Å; L1665-V1669 WeakPolarHBondContact O-CG2 3.28Å; L1665-V1669 PolarHBondContact O-N 3.36Å; L1665-V1669 VanDerWaalsContact O-N 3.13Å; W1667-V1669 VanDerWaalsContact C-N 3.3Å; W1667-V1669 PolarHBondContact O-N 3.5Å; V1669-S1671 VanDerWaalsContact C-N 3.32Å; V1669-S1671 PolarHBondContact O-N 3.45Å; V1669-L1672 PolarHBondContact O-N 3.24Å; V1669-L1673 HydrophobicContact CG1-CD1 3.86Å; V1669-L1673 HydrophobicContact CG1-CG 4.47Å; V1669-L1673 WeakPolarHBondContact O-CB 3.46Å; V1669-L1673 VanDerWaalsContact O-CG 3.28Å; V1669-L1673 WeakPolarHBondContact O-CG 3.21Å; V1669-L1673 PolarHBondContact O-N 3.09Å |
| 1670 | L | 87.3 | Confident | 83.1 | Confident | 39 Ų | 39 | 51 Ų | 51 | 20% | 0.204 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 179.9 | -171.9 | 57.9 | 0 | 0 | 0 | 112 | L1613 C1666 W1667 L1673 I1674 L1702 | L1613-L1670 HydrophobicContact CD1-CD1 4Å; L1613-L1670 HydrophobicContact CD2-CD1 4.34Å; C1666-L1670 VanDerWaalsContact O-CB 3.3Å; C1666-L1670 WeakPolarHBondContact O-CB 3.32Å; C1666-L1670 PolarHBondContact O-N 2.76Å; W1667-L1670 PolarHBondContact O-N 2.9Å; L1670-L1673 PolarHBondContact O-N 3.08Å; L1670-I1674 HydrophobicContact CD1-CD1 4.36Å; L1670-I1674 HydrophobicContact CG-CD1 4.07Å; L1670-I1674 VanDerWaalsContact O-CG1 3.26Å; L1670-I1674 WeakPolarHBondContact O-CG1 3.35Å; L1670-I1674 PolarHBondContact O-N 2.81Å; L1670-L1702 HydrophobicContact CD2-CD2 3.58Å; L1670-L1702 HydrophobicContact CG-CD2 4.37Å |
| 1671 | S | 90.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.8 | -47.9 | 176.3 | -154.7 | 0 | 0 | 0 | 0 | 112.2 | W1667 P1668 V1669 I1675 L1702 T1703 P1705 C1706 | W1667-S1671 VanDerWaalsContact O-CB 3.27Å; W1667-S1671 WeakPolarHBondContact O-CB 3.3Å; W1667-S1671 PolarHBondContact O-N 2.89Å; P1668-S1671 WeakPolarHBondContact O-CB 3.29Å; P1668-S1671 PolarHBondContact O-N 3.46Å; V1669-S1671 VanDerWaalsContact C-N 3.32Å; V1669-S1671 PolarHBondContact O-N 3.45Å; S1671-I1675 WeakPolarHBondContact O-CG1 3.34Å; S1671-I1675 PolarHBondContact O-N 2.75Å; S1671-L1702 WeakPolarHBondContact CA-O 3.28Å; S1671-L1702 VanDerWaalsContact CB-O 3.26Å; S1671-L1702 WeakPolarHBondContact CB-O 3.5Å; S1671-L1702 PolarHBondContact OG-O 3.31Å; S1671-T1703 VanDerWaalsContact OG-C 3.3Å; S1671-T1703 VanDerWaalsContact OG-CA 3.25Å; S1671-T1703 WeakPolarHBondContact OG-CA 3.27Å; S1671-T1703 PolarHBondContact OG-O 2.72Å; S1671-P1705 WeakPolarHBondContact OG-CD 3.46Å; S1671-C1706 WeakPolarHBondContact OG-CB 3.43Å; S1671-C1706 PolarHBondContact OG-N 3.34Å |
| 1672 | L | 91 | Very high | 84.5 | Confident | 32 Ų | 32 | 37.1 Ų | 37.1 | 17% | 0.168 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.5 | -39.3 | 179.8 | -70 | 171.4 | 0 | 0 | 0 | 111.3 | Y1640 G1643 A1644 P1668 V1669 I1675 G1676 | Y1640-L1672 HydrophobicContact CD1-CD2 3.75Å; G1643-L1672 VanDerWaalsContact C-CD1 3.45Å; A1644-L1672 HydrophobicContact CB-CB 4.08Å; A1644-L1672 HydrophobicContact CB-CD1 4.49Å; P1668-L1672 VanDerWaalsContact O-CB 3.3Å; P1668-L1672 WeakPolarHBondContact O-CB 3.3Å; P1668-L1672 WeakPolarHBondContact O-CG 3.34Å; P1668-L1672 PolarHBondContact O-N 3.14Å; V1669-L1672 PolarHBondContact O-N 3.24Å; L1672-I1675 PolarHBondContact O-N 2.73Å; L1672-G1676 WeakPolarHBondContact O-CA 3.47Å; L1672-G1676 PolarHBondContact O-N 2.94Å |
| 1673 | L | 89.2 | Confident | 84.8 | Confident | 69 Ų | 69 | 37 Ų | 37 | 36% | 0.361 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.6 | -38.7 | 175.7 | -71.6 | 174.4 | 0 | 0 | 0 | 112.6 | A1644 V1669 L1670 G1676 R1677 | A1644-L1673 HydrophobicContact CB-CD2 4.05Å; A1644-L1673 HydrophobicContact CB-CG 4Å; V1669-L1673 HydrophobicContact CG1-CD1 3.86Å; V1669-L1673 HydrophobicContact CG1-CG 4.47Å; V1669-L1673 WeakPolarHBondContact O-CB 3.46Å; V1669-L1673 VanDerWaalsContact O-CG 3.28Å; V1669-L1673 WeakPolarHBondContact O-CG 3.21Å; V1669-L1673 PolarHBondContact O-N 3.09Å; L1670-L1673 PolarHBondContact O-N 3.08Å; L1673-G1676 PolarHBondContact O-N 2.68Å; L1673-R1677 WeakPolarHBondContact O-CB 3.42Å; L1673-R1677 PolarHBondContact O-N 2.79Å |
| 1674 | I | 88.4 | Confident | 85.5 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -50.3 | 175.7 | -72.3 | 165.4 | 0 | 0 | 0 | 110.3 | W1616 L1670 G1676 R1677 G1678 T1686 L1702 T1703 | W1616-I1674 HydrophobicContact CD2-CG1 4.38Å; W1616-I1674 HydrophobicContact CE3-CG1 4.43Å; W1616-I1674 HydrophobicContact CH2-CG1 4.14Å; W1616-I1674 HydrophobicContact CZ2-CB 4.33Å; W1616-I1674 HydrophobicContact CZ2-CG1 4.09Å; W1616-I1674 HydrophobicContact CZ2-CG2 3.87Å; W1616-I1674 HydrophobicContact CZ3-CG1 4.31Å; L1670-I1674 HydrophobicContact CD1-CD1 4.36Å; L1670-I1674 HydrophobicContact CG-CD1 4.07Å; L1670-I1674 VanDerWaalsContact O-CG1 3.26Å; L1670-I1674 WeakPolarHBondContact O-CG1 3.35Å; L1670-I1674 PolarHBondContact O-N 2.81Å; I1674-G1676 VanDerWaalsContact C-N 3.34Å; I1674-R1677 PolarHBondContact O-N 3.43Å; I1674-G1678 PolarHBondContact O-N 2.83Å; I1674-G1678 VanDerWaalsContact O-N 3.11Å; I1674-T1686 HydrophobicContact CG2-CG2 3.96Å; I1674-T1686 VanDerWaalsContact O-CG2 3.24Å; I1674-T1686 WeakPolarHBondContact O-CG2 3.19Å; I1674-L1702 HydrophobicContact CD1-CB 3.59Å; I1674-L1702 HydrophobicContact CD1-CD1 3.87Å; I1674-L1702 HydrophobicContact CD1-CG 4.26Å; I1674-T1703 HydrophobicContact CB-CG2 4.46Å; I1674-T1703 HydrophobicContact CG2-CG2 3.77Å |
| 1675 | I | 89.5 | Confident | 85.7 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.8 | -39.9 | 178.1 | -62.2 | -61.7 | 0 | 0 | 0 | 111 | Y1640 S1671 L1672 R1677 G1678 Y1679 T1687 T1703 C1706 M1710 F1751 | Y1640-I1675 HydrophobicContact CD1-CB 4.2Å; Y1640-I1675 HydrophobicContact CD1-CG2 3.8Å; Y1640-I1675 HydrophobicContact CD2-CG2 4.47Å; Y1640-I1675 HydrophobicContact CE1-CB 4.28Å; Y1640-I1675 HydrophobicContact CE1-CG2 3.47Å; Y1640-I1675 VanDerWaalsContact CE1-CG2 3.47Å; Y1640-I1675 HydrophobicContact CE2-CG2 4.21Å; Y1640-I1675 HydrophobicContact CG-CG2 4.31Å; S1671-I1675 WeakPolarHBondContact O-CG1 3.34Å; S1671-I1675 PolarHBondContact O-N 2.75Å; L1672-I1675 PolarHBondContact O-N 2.73Å; I1675-R1677 PolarHBondContact O-N 3.23Å; I1675-G1678 WeakPolarHBondContact O-CA 3.03Å; I1675-G1678 PolarHBondContact O-N 3.34Å; I1675-Y1679 HydrophobicContact CG2-CD2 4.07Å; I1675-Y1679 HydrophobicContact CG2-CE2 3.79Å; I1675-Y1679 VanDerWaalsContact O-CD2 3.32Å; I1675-Y1679 WeakPolarHBondContact O-CD2 3.24Å; I1675-Y1679 PolarHBondContact O-N 2.95Å; I1675-Y1679 VanDerWaalsContact O-N 3.16Å; I1675-T1687 HydrophobicContact CD1-CG2 4.49Å; I1675-T1703 HydrophobicContact CD1-CG2 4.01Å; I1675-T1703 HydrophobicContact CG1-CG2 4.41Å; I1675-C1706 HydrophobicContact CG1-CB 4.18Å; I1675-M1710 HydrophobicContact CG2-CE 4.14Å; I1675-F1751 HydrophobicContact CD1-CE2 4.3Å |
| 1676 | G | 88.4 | Confident | 85.7 | Confident | 4 Ų | 4 | 29.6 Ų | 29.6 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.7 | -43.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1672 L1673 I1674 G1678 Y1679 G1680 | L1672-G1676 WeakPolarHBondContact O-CA 3.47Å; L1672-G1676 PolarHBondContact O-N 2.94Å; L1673-G1676 PolarHBondContact O-N 2.68Å; I1674-G1676 VanDerWaalsContact C-N 3.34Å; G1676-G1678 VanDerWaalsContact C-N 3.3Å; G1676-G1678 PolarHBondContact O-N 3.38Å; G1676-Y1679 CarbonylContact O-C 3.56Å; G1676-Y1679 PolarHBondContact O-N 2.86Å; G1676-G1680 WeakPolarHBondContact O-CA 3.4Å; G1676-G1680 PolarHBondContact O-N 3.28Å |
| 1677 | R | 86.1 | Confident | 85.9 | Confident | 158 Ų | 158 | 26.8 Ų | 26.8 | 60% | 0.596 | 14% | 0.135 | S | C | * | . | H | α-helix | trans | -66.4 | -28.1 | 172.9 | -89.9 | -163.3 | 165.6 | 117.9 | -1.6 | 113.6 | L1673 I1674 I1675 G1680 G1681 L1682 | L1673-R1677 WeakPolarHBondContact O-CB 3.42Å; L1673-R1677 PolarHBondContact O-N 2.79Å; I1674-R1677 PolarHBondContact O-N 3.43Å; I1675-R1677 PolarHBondContact O-N 3.23Å; R1677-G1680 CarbonylContact O-C 3.56Å; R1677-G1680 PolarHBondContact O-N 3.41Å; R1677-G1681 PolarHBondContact O-N 2.77Å; R1677-L1682 HydrophobicContact CB-CD1 4Å; R1677-L1682 PolarHBondContact O-N 3.16Å |
| 1678 | G | 86.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -66.1 | -41.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1674 I1675 G1676 G1683 T1686 | I1674-G1678 PolarHBondContact O-N 2.83Å; I1674-G1678 VanDerWaalsContact O-N 3.11Å; I1675-G1678 WeakPolarHBondContact O-CA 3.03Å; I1675-G1678 PolarHBondContact O-N 3.34Å; G1676-G1678 VanDerWaalsContact C-N 3.3Å; G1676-G1678 PolarHBondContact O-N 3.38Å; G1678-G1683 WeakPolarHBondContact O-CA 3.5Å; G1678-G1683 PolarHBondContact O-N 3.05Å; G1678-T1686 WeakPolarHBondContact CA-OG1 3.23Å |
| 1679 | Y | 87.7 | Confident | 85.5 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -72.8 | -34 | 168 | -68.9 | -74.2 | 0 | 0 | 0 | 112 | R1633 I1636 Y1640 I1675 G1676 G1681 F1751 L1770 D1771 V1773 | R1633-Y1679 WeakPolarHBondContact CB-O 3.29Å; I1636-Y1679 HydrophobicContact CB-CD1 4.04Å; I1636-Y1679 HydrophobicContact CB-CE1 4.41Å; I1636-Y1679 HydrophobicContact CB-CG 4.36Å; I1636-Y1679 HydrophobicContact CG2-CD1 3.51Å; I1636-Y1679 HydrophobicContact CG2-CD2 4.01Å; I1636-Y1679 HydrophobicContact CG2-CE1 3.52Å; I1636-Y1679 HydrophobicContact CG2-CE2 4.01Å; I1636-Y1679 HydrophobicContact CG2-CG 3.77Å; Y1640-Y1679 HydrophobicContact CD2-CD2 4.09Å; Y1640-Y1679 HydrophobicContact CD2-CE2 4.38Å; Y1640-Y1679 AromaticContact CE2-CD2 3.69Å; Y1640-Y1679 HydrophobicContact CE2-CD2 3.69Å; Y1640-Y1679 AromaticContact CE2-CE2 3.56Å; Y1640-Y1679 HydrophobicContact CE2-CE2 3.56Å; Y1640-Y1679 AromaticContact CZ-CE2 3.86Å; I1675-Y1679 HydrophobicContact CG2-CD2 4.07Å; I1675-Y1679 HydrophobicContact CG2-CE2 3.79Å; I1675-Y1679 VanDerWaalsContact O-CD2 3.32Å; I1675-Y1679 WeakPolarHBondContact O-CD2 3.24Å; I1675-Y1679 PolarHBondContact O-N 2.95Å; I1675-Y1679 VanDerWaalsContact O-N 3.16Å; G1676-Y1679 CarbonylContact O-C 3.56Å; G1676-Y1679 PolarHBondContact O-N 2.86Å; Y1679-G1681 VanDerWaalsContact C-N 3.26Å; Y1679-G1681 PolarHBondContact O-N 2.94Å; Y1679-F1751 HydrophobicContact CE2-CZ 4.14Å; Y1679-F1751 WeakPolarHBondContact OH-CE1 2.99Å; Y1679-L1770 HydrophobicContact CD1-CD1 4.25Å; Y1679-L1770 HydrophobicContact CD1-CD2 4.41Å; Y1679-L1770 HydrophobicContact CE1-CB 4.15Å; Y1679-L1770 HydrophobicContact CE1-CD2 4.16Å; Y1679-D1771 VanDerWaalsContact CE1-O 3.31Å; Y1679-D1771 WeakPolarHBondContact CE1-O 3.27Å; Y1679-D1771 PolarHBondContact OH-O 3.37Å; Y1679-V1773 HydrophobicContact CD1-CG2 4.13Å; Y1679-V1773 HydrophobicContact CE1-CG2 4.07Å |
| 1680 | G | 80.9 | Confident | 85.3 | Confident | 24 Ų | 24 | 23.6 Ų | 23.6 | 25% | 0.247 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -78.9 | 11.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | P1629 G1676 R1677 | P1629-G1680 WeakPolarHBondContact CG-O 3.48Å; G1676-G1680 WeakPolarHBondContact O-CA 3.4Å; G1676-G1680 PolarHBondContact O-N 3.28Å; R1677-G1680 CarbonylContact O-C 3.56Å; R1677-G1680 PolarHBondContact O-N 3.41Å |
| 1681 | G | 77.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | 135.9 | -14.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q1627 R1677 Y1679 G1683 | Q1627-G1681 PolarHBondContact N-O 3.13Å; Q1627-G1681 CarbonylContact O-C 3.57Å; Q1627-G1681 WeakPolarHBondContact O-CA 3.48Å; R1677-G1681 PolarHBondContact O-N 2.77Å; Y1679-G1681 VanDerWaalsContact C-N 3.26Å; Y1679-G1681 PolarHBondContact O-N 2.94Å; G1681-G1683 VanDerWaalsContact C-N 3.32Å; G1681-G1683 PolarHBondContact O-N 3.49Å |
| 1682 | L | 78.9 | Confident | 85 | Confident | 20 Ų | 20 | 28.1 Ų | 28.1 | 11% | 0.105 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -80.6 | -11.1 | 178.2 | -62.8 | 177.7 | 0 | 0 | 0 | 113.8 | W1616 W1624 Y1626 R1677 T1686 | W1616-L1682 HydrophobicContact CH2-CD1 4.25Å; W1616-L1682 HydrophobicContact CZ2-CD1 4.14Å; W1624-L1682 HydrophobicContact CB-CD2 4.32Å; W1624-L1682 HydrophobicContact CD2-CD1 4.47Å; W1624-L1682 HydrophobicContact CD2-CD2 4.11Å; W1624-L1682 HydrophobicContact CE3-CB 4.15Å; W1624-L1682 HydrophobicContact CE3-CD1 3.92Å; W1624-L1682 HydrophobicContact CE3-CD2 3.67Å; W1624-L1682 HydrophobicContact CE3-CG 4.12Å; W1624-L1682 HydrophobicContact CG-CD2 4.43Å; W1624-L1682 HydrophobicContact CH2-CD1 4Å; W1624-L1682 HydrophobicContact CZ3-CB 4.01Å; W1624-L1682 HydrophobicContact CZ3-CD1 3.68Å; W1624-L1682 HydrophobicContact CZ3-CD2 4.25Å; W1624-L1682 HydrophobicContact CZ3-CG 4.19Å; Y1626-L1682 HydrophobicContact CD2-CD2 4.22Å; R1677-L1682 HydrophobicContact CB-CD1 4Å; R1677-L1682 PolarHBondContact O-N 3.16Å; L1682-T1686 VanDerWaalsContact CB-OG1 3.23Å; L1682-T1686 WeakPolarHBondContact CB-OG1 3.28Å |
| 1683 | G | 81.9 | Confident | 84.7 | Confident | 5 Ų | 5 | 26.6 Ų | 26.6 | 5% | 0.052 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | 69 | -162.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1678 G1681 I1685 T1686 | G1678-G1683 WeakPolarHBondContact O-CA 3.5Å; G1678-G1683 PolarHBondContact O-N 3.05Å; G1681-G1683 VanDerWaalsContact C-N 3.32Å; G1681-G1683 PolarHBondContact O-N 3.49Å; G1683-I1685 PolarHBondContact O-N 2.78Å; G1683-T1686 WeakPolarHBondContact O-CB 3.39Å; G1683-T1686 PolarHBondContact O-N 3.34Å; G1683-T1686 PolarHBondContact O-OG1 2.66Å |
| 1684 | A | 84.1 | Confident | 84.6 | Confident | 7 Ų | 7 | 29.8 Ų | 29.8 | 6% | 0.058 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -65.2 | -14.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1686 T1687 F1751 P1768 L1770 | A1684-T1686 PolarHBondContact O-N 2.83Å; A1684-T1687 PolarHBondContact O-OG1 3.45Å; A1684-F1751 HydrophobicContact CB-CB 4.28Å; A1684-P1768 HydrophobicContact CB-CB 4.19Å; A1684-P1768 HydrophobicContact CB-CG 4.5Å; A1684-P1768 WeakPolarHBondContact CB-O 3.42Å; A1684-L1770 HydrophobicContact CB-CG 4.47Å |
| 1685 | I | 82.9 | Confident | 84.5 | Confident | 59 Ų | 59 | 30.7 Ų | 30.7 | 30% | 0.303 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -62 | -25.1 | 175 | -67.3 | 168.9 | 0 | 0 | 0 | 111.8 | W1624 N1625 G1683 T1687 G1688 | W1624-I1685 HydrophobicContact CE3-CG2 4.17Å; W1624-I1685 HydrophobicContact CZ3-CG2 4.2Å; N1625-I1685 HydrophobicContact CB-CD1 3.95Å; G1683-I1685 PolarHBondContact O-N 2.78Å; I1685-T1687 PolarHBondContact O-N 3.37Å; I1685-T1687 VanDerWaalsContact O-N 3.14Å; I1685-G1688 WeakPolarHBondContact O-CA 3.31Å; I1685-G1688 PolarHBondContact O-N 3.23Å |
| 1686 | T | 84.4 | Confident | 84.3 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -50.2 | -38 | 179.3 | -55.9 | 0 | 0 | 0 | 0 | 114.6 | W1616 I1674 G1678 L1682 G1683 A1684 G1688 | W1616-T1686 HydrophobicContact CZ2-CG2 4.14Å; W1616-T1686 PolarHBondContact NE1-O 3.04Å; I1674-T1686 HydrophobicContact CG2-CG2 3.96Å; I1674-T1686 VanDerWaalsContact O-CG2 3.24Å; I1674-T1686 WeakPolarHBondContact O-CG2 3.19Å; G1678-T1686 WeakPolarHBondContact CA-OG1 3.23Å; L1682-T1686 VanDerWaalsContact CB-OG1 3.23Å; L1682-T1686 WeakPolarHBondContact CB-OG1 3.28Å; G1683-T1686 WeakPolarHBondContact O-CB 3.39Å; G1683-T1686 PolarHBondContact O-N 3.34Å; G1683-T1686 PolarHBondContact O-OG1 2.66Å; A1684-T1686 PolarHBondContact O-N 2.83Å; T1686-G1688 VanDerWaalsContact C-N 3.31Å |
| 1687 | T | 84.2 | Confident | 84.1 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -87 | -5.8 | 179.5 | 60.4 | 0 | 0 | 0 | 0 | 112.7 | I1675 A1684 I1685 K1689 L1695 P1696 V1699 F1751 | I1675-T1687 HydrophobicContact CD1-CG2 4.49Å; A1684-T1687 PolarHBondContact O-OG1 3.45Å; I1685-T1687 PolarHBondContact O-N 3.37Å; I1685-T1687 VanDerWaalsContact O-N 3.14Å; T1687-K1689 PolarHBondContact O-N 3.37Å; T1687-L1695 WeakPolarHBondContact O-CD2 3.33Å; T1687-P1696 WeakPolarHBondContact O-CD 3.3Å; T1687-V1699 HydrophobicContact CG2-CG1 4.45Å; T1687-V1699 WeakPolarHBondContact O-CG1 3.45Å; T1687-F1751 HydrophobicContact CG2-CD2 3.57Å; T1687-F1751 HydrophobicContact CG2-CE2 3.93Å; T1687-F1751 PolarHBondContact OG1-O 2.95Å |
| 1688 | G | 79.9 | Confident | 84.1 | Confident | 13 Ų | 13 | 26.6 Ų | 26.6 | 13% | 0.134 | 15% | 0.152 | C | C | . | . | trans | 57.6 | 18.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1622 I1685 T1686 D1690 P1696 | R1622-G1688 PolarHBondContact NH1-O 3.11Å; R1622-G1688 PolarHBondContact NH2-O 2.86Å; I1685-G1688 WeakPolarHBondContact O-CA 3.31Å; I1685-G1688 PolarHBondContact O-N 3.23Å; T1686-G1688 VanDerWaalsContact C-N 3.31Å; G1688-D1690 PolarHBondContact O-N 2.95Å; G1688-P1696 WeakPolarHBondContact O-CD 3.46Å; G1688-P1696 WeakPolarHBondContact O-CG 3.5Å | ||
| 1689 | K | 87.9 | Confident | 84.2 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 1% | 0.013 | 15% | 0.153 | C | C | . | . | trans | -59.6 | 130.7 | -174.5 | -161.5 | 171 | 171.3 | -167.9 | 0 | 109.8 | R1622 T1687 K1694 L1695 D1748 T1750 F1753 C1766 P1768 | R1622-K1689 PolarHBondContact NH1-O 3.35Å; R1622-K1689 PolarHBondContact NH2-O 2.96Å; R1622-K1689 VanDerWaalsContact NH2-O 3.13Å; T1687-K1689 PolarHBondContact O-N 3.37Å; K1689-K1694 WeakPolarHBondContact CA-O 3.5Å; K1689-L1695 HydrophobicContact CB-CD2 3.83Å; K1689-L1695 HydrophobicContact CD-CD2 4.2Å; K1689-L1695 HydrophobicContact CG-CD2 3.94Å; K1689-D1748 WeakPolarHBondContact CE-OD2 3.4Å; K1689-D1748 IonicContact NZ-OD1 3.46Å; K1689-D1748 IonicContact NZ-OD2 3.63Å; K1689-D1748 PolarHBondContact NZ-OD2 3.47Å; K1689-T1750 PolarHBondContact NZ-O 2.99Å; K1689-T1750 PolarHBondContact NZ-OG1 2.86Å; K1689-F1753 WeakPolarHBondContact CE-O 3.49Å; K1689-F1753 PolarHBondContact NZ-O 2.93Å; K1689-C1766 WeakPolarHBondContact CE-SG 3.45Å; K1689-P1768 HydrophobicContact CB-CB 4.39Å | ||
| 1690 | D | 85 | Confident | 84.2 | Confident | 50 Ų | 50 | 31 Ų | 31 | 27% | 0.267 | 17% | 0.169 | S | C | . | . | trans | -85.6 | 170.6 | 178.3 | 71.6 | 15.5 | 0 | 0 | 0 | 111.9 | G1688 Q1692 G1693 K1694 | G1688-D1690 PolarHBondContact O-N 2.95Å; D1690-Q1692 PolarHBondContact O-N 3.46Å; D1690-Q1692 VanDerWaalsContact O-N 3.13Å; D1690-Q1692 VanDerWaalsContact OD1-C 3.27Å; D1690-Q1692 WeakPolarHBondContact OD1-CA 3.3Å; D1690-Q1692 WeakPolarHBondContact OD1-CB 3.39Å; D1690-Q1692 PolarHBondContact OD1-N 3.09Å; D1690-G1693 PolarHBondContact O-N 3.03Å; D1690-G1693 PolarHBondContact OD1-N 3.26Å; D1690-K1694 PolarHBondContact N-O 3.13Å; D1690-K1694 PolarHBondContact OD1-N 3.38Å; D1690-K1694 WeakPolarHBondContact OD2-CB 3.45Å | ||
| 1691 | S | 84.3 | Confident | 84.6 | Confident | 56 Ų | 56 | 35.5 Ų | 35.5 | 39% | 0.392 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.3 | 178.3 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | G1693 F1765 C1766 | S1691-G1693 VanDerWaalsContact C-N 3.33Å; S1691-F1765 CarbonylContact O-C 3.59Å; S1691-F1765 VanDerWaalsContact O-CA 3.31Å; S1691-F1765 WeakPolarHBondContact O-CA 3.37Å; S1691-C1766 PolarHBondContact O-N 3.03Å |
| 1692 | Q | 86.9 | Confident | 85.1 | Confident | 79 Ų | 79 | 35.8 Ų | 35.8 | 37% | 0.369 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 3 | 175.2 | -65.5 | -64.8 | -39.9 | 0 | 0 | 112.6 | D1690 R1755 Y1764 | D1690-Q1692 PolarHBondContact O-N 3.46Å; D1690-Q1692 VanDerWaalsContact O-N 3.13Å; D1690-Q1692 VanDerWaalsContact OD1-C 3.27Å; D1690-Q1692 WeakPolarHBondContact OD1-CA 3.3Å; D1690-Q1692 WeakPolarHBondContact OD1-CB 3.39Å; D1690-Q1692 PolarHBondContact OD1-N 3.09Å; Q1692-R1755 VanDerWaalsContact O-CD 3.3Å; Q1692-R1755 WeakPolarHBondContact O-CD 3.19Å; Q1692-Y1764 WeakPolarHBondContact O-CD1 3.26Å |
| 1693 | G | 85.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 75.3 | 17.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1690 S1691 P1754 R1755 | D1690-G1693 PolarHBondContact O-N 3.03Å; D1690-G1693 PolarHBondContact OD1-N 3.26Å; S1691-G1693 VanDerWaalsContact C-N 3.33Å; G1693-P1754 CarbonylContact O-C 3.51Å; G1693-P1754 WeakPolarHBondContact O-CA 3.39Å; G1693-R1755 PolarHBondContact O-N 2.49Å |
| 1694 | K | 87.1 | Confident | 86 | Confident | 135 Ų | 135 | 36.2 Ų | 36.2 | 59% | 0.587 | 18% | 0.182 | S | C | * | . | P | Polyproline II helix | trans | -89 | 140.6 | 175.3 | -57.3 | 178.6 | -177.9 | 171.1 | 0 | 110.3 | K1689 D1690 | K1689-K1694 WeakPolarHBondContact CA-O 3.5Å; D1690-K1694 PolarHBondContact N-O 3.13Å; D1690-K1694 PolarHBondContact OD1-N 3.38Å; D1690-K1694 WeakPolarHBondContact OD2-CB 3.45Å |
| 1695 | L | 86.6 | Confident | 86.2 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 12% | 0.115 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -93.6 | 141.9 | 172.6 | -66.7 | 172.1 | 0 | 0 | 0 | 109.7 | T1687 K1689 Y1700 P1754 | T1687-L1695 WeakPolarHBondContact O-CD2 3.33Å; K1689-L1695 HydrophobicContact CB-CD2 3.83Å; K1689-L1695 HydrophobicContact CD-CD2 4.2Å; K1689-L1695 HydrophobicContact CG-CD2 3.94Å; L1695-Y1700 HydrophobicContact CD1-CD2 4.5Å; L1695-P1754 HydrophobicContact CD1-CB 4Å; L1695-P1754 HydrophobicContact CD1-CG 4.24Å; L1695-P1754 HydrophobicContact CG-CB 4.15Å |
| 1696 | P | 85.1 | Confident | 86.4 | Confident | 38 Ų | 38 | 35.5 Ų | 35.5 | 25% | 0.247 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -56.3 | 144.6 | 169.8 | -22.9 | 33.6 | 0 | 0 | 0 | 111 | T1687 G1688 A1698 V1699 Y1700 | T1687-P1696 WeakPolarHBondContact O-CD 3.3Å; G1688-P1696 WeakPolarHBondContact O-CD 3.46Å; G1688-P1696 WeakPolarHBondContact O-CG 3.5Å; P1696-A1698 VanDerWaalsContact C-N 3.31Å; P1696-A1698 PolarHBondContact O-N 2.73Å; P1696-V1699 HydrophobicContact CB-CB 4.49Å; P1696-V1699 HydrophobicContact CB-CG2 4.24Å; P1696-V1699 HydrophobicContact CG-CG2 4.21Å; P1696-V1699 PolarHBondContact O-N 3.16Å; P1696-Y1700 PolarHBondContact O-N 3.36Å |
| 1697 | P | 84.5 | Confident | 86.7 | Confident | 39 Ų | 39 | 36.7 Ų | 36.7 | 25% | 0.253 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -54.3 | -42.9 | -178.3 | -28.1 | 35.3 | 0 | 0 | 0 | 113.9 | W1564 Y1700 W1701 | W1564-P1697 HydrophobicContact CH2-CB 4.14Å; W1564-P1697 HydrophobicContact CZ2-CB 4.32Å; P1697-Y1700 PolarHBondContact O-N 3.13Å; P1697-W1701 PolarHBondContact O-N 2.73Å |
| 1698 | A | 85.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59 | -51.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W1564 M1612 D1615 P1696 Y1700 W1701 L1702 | W1564-A1698 HydrophobicContact CZ2-CB 4.27Å; M1612-A1698 HydrophobicContact CB-CB 4.25Å; M1612-A1698 WeakPolarHBondContact O-CB 3.29Å; D1615-A1698 HydrophobicContact CB-CB 3.97Å; P1696-A1698 VanDerWaalsContact C-N 3.31Å; P1696-A1698 PolarHBondContact O-N 2.73Å; A1698-Y1700 VanDerWaalsContact C-N 3.31Å; A1698-Y1700 PolarHBondContact O-N 3.2Å; A1698-W1701 PolarHBondContact O-N 3Å; A1698-L1702 VanDerWaalsContact O-CB 3.32Å; A1698-L1702 WeakPolarHBondContact O-CB 3.38Å; A1698-L1702 WeakPolarHBondContact O-CG 3.41Å; A1698-L1702 PolarHBondContact O-N 2.98Å |
| 1699 | V | 87 | Confident | 87.2 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -44.4 | 176.7 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | T1687 P1696 W1701 T1703 | T1687-V1699 HydrophobicContact CG2-CG1 4.45Å; T1687-V1699 WeakPolarHBondContact O-CG1 3.45Å; P1696-V1699 HydrophobicContact CB-CB 4.49Å; P1696-V1699 HydrophobicContact CB-CG2 4.24Å; P1696-V1699 HydrophobicContact CG-CG2 4.21Å; P1696-V1699 PolarHBondContact O-N 3.16Å; V1699-W1701 VanDerWaalsContact C-N 3.28Å; V1699-W1701 PolarHBondContact O-N 3.04Å; V1699-T1703 HydrophobicContact CG1-CG2 3.93Å; V1699-T1703 WeakPolarHBondContact O-CB 3.35Å; V1699-T1703 WeakPolarHBondContact O-CG2 3.48Å; V1699-T1703 PolarHBondContact O-N 3.41Å; V1699-T1703 PolarHBondContact O-OG1 2.79Å |
| 1700 | Y | 88.7 | Confident | 87.2 | Confident | 90 Ų | 90 | 43.5 Ų | 43.5 | 35% | 0.353 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -55.1 | -45.2 | -177.5 | -179 | -82.1 | 0 | 0 | 0 | 111.9 | L1695 P1696 P1697 A1698 L1704 R1707 P1754 | L1695-Y1700 HydrophobicContact CD1-CD2 4.5Å; P1696-Y1700 PolarHBondContact O-N 3.36Å; P1697-Y1700 PolarHBondContact O-N 3.13Å; A1698-Y1700 VanDerWaalsContact C-N 3.31Å; A1698-Y1700 PolarHBondContact O-N 3.2Å; Y1700-L1704 PolarHBondContact O-N 3.44Å; Y1700-R1707 VanDerWaalsContact CE2-NH1 3.33Å; Y1700-R1707 PolarHBondContact O-NH1 3.48Å; Y1700-R1707 VanDerWaalsContact O-NH1 3.17Å; Y1700-P1754 HydrophobicContact CE2-CG 4.49Å |
| 1701 | W | 88.5 | Confident | 87.4 | Confident | 120 Ų | 120 | 46.4 Ų | 46.4 | 46% | 0.455 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -80.1 | -44.9 | -178.7 | -71.3 | 115.6 | 0 | 0 | 0 | 113 | M1612 W1667 P1697 A1698 V1699 T1703 L1704 | M1612-W1701 HydrophobicContact CE-CB 4.12Å; M1612-W1701 HydrophobicContact CE-CG 4.15Å; M1612-W1701 HydrophobicContact SD-CB 3.79Å; M1612-W1701 HydrophobicContact SD-CG 4.45Å; W1667-W1701 PolarHBondContact NE1-O 2.89Å; P1697-W1701 PolarHBondContact O-N 2.73Å; A1698-W1701 PolarHBondContact O-N 3Å; V1699-W1701 VanDerWaalsContact C-N 3.28Å; V1699-W1701 PolarHBondContact O-N 3.04Å; W1701-T1703 VanDerWaalsContact C-N 3.3Å; W1701-T1703 PolarHBondContact O-N 3.13Å; W1701-L1704 HydrophobicContact CE3-CD2 3.98Å; W1701-L1704 HydrophobicContact CZ3-CD2 3.97Å; W1701-L1704 VanDerWaalsContact O-CB 3.3Å; W1701-L1704 WeakPolarHBondContact O-CB 3.38Å; W1701-L1704 PolarHBondContact O-N 3.15Å |
| 1702 | L | 87.4 | Confident | 87.6 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.6 | -36.6 | 178.8 | -67.3 | 173.1 | 0 | 0 | 0 | 112.3 | M1612 W1616 L1670 S1671 I1674 A1698 | M1612-L1702 HydrophobicContact CB-CD1 4.01Å; M1612-L1702 HydrophobicContact CB-CD2 3.97Å; M1612-L1702 HydrophobicContact CB-CG 3.96Å; W1616-L1702 HydrophobicContact CB-CD1 4.12Å; L1670-L1702 HydrophobicContact CD2-CD2 3.58Å; L1670-L1702 HydrophobicContact CG-CD2 4.37Å; S1671-L1702 WeakPolarHBondContact CA-O 3.28Å; S1671-L1702 VanDerWaalsContact CB-O 3.26Å; S1671-L1702 WeakPolarHBondContact CB-O 3.5Å; S1671-L1702 PolarHBondContact OG-O 3.31Å; I1674-L1702 HydrophobicContact CD1-CB 3.59Å; I1674-L1702 HydrophobicContact CD1-CD1 3.87Å; I1674-L1702 HydrophobicContact CD1-CG 4.26Å; A1698-L1702 VanDerWaalsContact O-CB 3.32Å; A1698-L1702 WeakPolarHBondContact O-CB 3.38Å; A1698-L1702 WeakPolarHBondContact O-CG 3.41Å; A1698-L1702 PolarHBondContact O-N 2.98Å |
| 1703 | T | 89.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 3.4 | 179.7 | 64.7 | 0 | 0 | 0 | 0 | 114 | S1671 I1674 I1675 V1699 W1701 C1706 R1707 | S1671-T1703 VanDerWaalsContact OG-C 3.3Å; S1671-T1703 VanDerWaalsContact OG-CA 3.25Å; S1671-T1703 WeakPolarHBondContact OG-CA 3.27Å; S1671-T1703 PolarHBondContact OG-O 2.72Å; I1674-T1703 HydrophobicContact CB-CG2 4.46Å; I1674-T1703 HydrophobicContact CG2-CG2 3.77Å; I1675-T1703 HydrophobicContact CD1-CG2 4.01Å; I1675-T1703 HydrophobicContact CG1-CG2 4.41Å; V1699-T1703 HydrophobicContact CG1-CG2 3.93Å; V1699-T1703 WeakPolarHBondContact O-CB 3.35Å; V1699-T1703 WeakPolarHBondContact O-CG2 3.48Å; V1699-T1703 PolarHBondContact O-N 3.41Å; V1699-T1703 PolarHBondContact O-OG1 2.79Å; W1701-T1703 VanDerWaalsContact C-N 3.3Å; W1701-T1703 PolarHBondContact O-N 3.13Å; T1703-C1706 PolarHBondContact O-N 2.91Å; T1703-R1707 WeakPolarHBondContact O-CB 3.29Å; T1703-R1707 VanDerWaalsContact O-CG 3.29Å; T1703-R1707 WeakPolarHBondContact O-CG 3.14Å; T1703-R1707 PolarHBondContact O-N 3.35Å; T1703-R1707 WeakPolarHBondContact OG1-CD 3.32Å |
| 1704 | L | 90.3 | Very high | 87.8 | Confident | 33 Ų | 33 | 47.6 Ų | 47.6 | 17% | 0.173 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.3 | -46.3 | -173.5 | -176.2 | 66.7 | 0 | 0 | 0 | 113.6 | W1667 Y1700 W1701 C1706 R1707 I1708 | W1667-L1704 HydrophobicContact CH2-CD2 3.84Å; W1667-L1704 HydrophobicContact CZ2-CB 3.89Å; W1667-L1704 HydrophobicContact CZ2-CD2 3.78Å; W1667-L1704 HydrophobicContact CZ2-CG 4.34Å; Y1700-L1704 PolarHBondContact O-N 3.44Å; W1701-L1704 HydrophobicContact CE3-CD2 3.98Å; W1701-L1704 HydrophobicContact CZ3-CD2 3.97Å; W1701-L1704 VanDerWaalsContact O-CB 3.3Å; W1701-L1704 WeakPolarHBondContact O-CB 3.38Å; W1701-L1704 PolarHBondContact O-N 3.15Å; L1704-C1706 PolarHBondContact O-N 3.03Å; L1704-R1707 PolarHBondContact O-N 3.44Å; L1704-I1708 HydrophobicContact CD1-CD1 4.33Å; L1704-I1708 HydrophobicContact CD1-CG1 4.29Å; L1704-I1708 HydrophobicContact CG-CD1 4.04Å; L1704-I1708 HydrophobicContact CG-CG1 4.45Å; L1704-I1708 WeakPolarHBondContact O-CG1 3.18Å; L1704-I1708 PolarHBondContact O-N 2.91Å |
| 1705 | P | 89.1 | Confident | 87.8 | Confident | 35 Ų | 35 | 47 Ų | 47 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.2 | -48.7 | 177.3 | -26.3 | 34.2 | 0 | 0 | 0 | 112.8 | W1667 P1668 S1671 R1707 I1708 G1709 | W1667-P1705 HydrophobicContact CB-CG 4.47Å; W1667-P1705 HydrophobicContact CD2-CG 3.69Å; W1667-P1705 HydrophobicContact CE3-CG 4.4Å; W1667-P1705 HydrophobicContact CG-CG 3.66Å; W1667-P1705 HydrophobicContact CZ2-CG 4.46Å; W1667-P1705 VanDerWaalsContact NE1-CD 3.33Å; P1668-P1705 HydrophobicContact CB-CB 4.21Å; S1671-P1705 WeakPolarHBondContact OG-CD 3.46Å; P1705-R1707 PolarHBondContact O-N 3.45Å; P1705-I1708 PolarHBondContact O-N 3.36Å; P1705-G1709 PolarHBondContact O-N 3.04Å |
| 1706 | C | 87.3 | Confident | 87.8 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 10% | 0.101 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 178.9 | -169.6 | 0 | 0 | 0 | 0 | 111.9 | S1671 I1675 T1703 L1704 I1708 G1709 M1710 | S1671-C1706 WeakPolarHBondContact OG-CB 3.43Å; S1671-C1706 PolarHBondContact OG-N 3.34Å; I1675-C1706 HydrophobicContact CG1-CB 4.18Å; T1703-C1706 PolarHBondContact O-N 2.91Å; L1704-C1706 PolarHBondContact O-N 3.03Å; C1706-I1708 PolarHBondContact O-N 2.73Å; C1706-G1709 PolarHBondContact O-N 3.14Å; C1706-G1709 VanDerWaalsContact O-N 3.17Å; C1706-M1710 WeakPolarHBondContact O-CG 3.29Å; C1706-M1710 PolarHBondContact O-N 3.13Å |
| 1707 | R | 89.5 | Confident | 87.8 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.3 | -33.4 | 179.3 | -74.4 | 174.2 | 60.1 | -139.6 | -13.2 | 113.4 | Y1700 T1703 L1704 P1705 G1709 M1710 W1711 E1752 | Y1700-R1707 VanDerWaalsContact CE2-NH1 3.33Å; Y1700-R1707 PolarHBondContact O-NH1 3.48Å; Y1700-R1707 VanDerWaalsContact O-NH1 3.17Å; T1703-R1707 WeakPolarHBondContact O-CB 3.29Å; T1703-R1707 VanDerWaalsContact O-CG 3.29Å; T1703-R1707 WeakPolarHBondContact O-CG 3.14Å; T1703-R1707 PolarHBondContact O-N 3.35Å; T1703-R1707 WeakPolarHBondContact OG1-CD 3.32Å; L1704-R1707 PolarHBondContact O-N 3.44Å; P1705-R1707 PolarHBondContact O-N 3.45Å; R1707-G1709 VanDerWaalsContact C-N 3.32Å; R1707-M1710 PolarHBondContact O-N 3.34Å; R1707-W1711 VanDerWaalsContact O-CB 3.25Å; R1707-W1711 WeakPolarHBondContact O-CB 3.48Å; R1707-W1711 PolarHBondContact O-N 2.72Å; R1707-E1752 PolarHBondContact NE-O 3.37Å |
| 1708 | I | 88.7 | Confident | 87.7 | Confident | 90 Ų | 90 | 53.6 Ų | 53.6 | 46% | 0.462 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 171.3 | -71.5 | 167.3 | 0 | 0 | 0 | 109.4 | L1704 P1705 C1706 W1711 L1712 | L1704-I1708 HydrophobicContact CD1-CD1 4.33Å; L1704-I1708 HydrophobicContact CD1-CG1 4.29Å; L1704-I1708 HydrophobicContact CG-CD1 4.04Å; L1704-I1708 HydrophobicContact CG-CG1 4.45Å; L1704-I1708 WeakPolarHBondContact O-CG1 3.18Å; L1704-I1708 PolarHBondContact O-N 2.91Å; P1705-I1708 PolarHBondContact O-N 3.36Å; C1706-I1708 PolarHBondContact O-N 2.73Å; I1708-W1711 PolarHBondContact O-N 3.23Å; I1708-L1712 HydrophobicContact CG2-CD1 4.05Å; I1708-L1712 WeakPolarHBondContact O-CG 3.22Å; I1708-L1712 PolarHBondContact O-N 2.57Å |
| 1709 | G | 87.2 | Confident | 87.5 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.1 | -48.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | P1705 C1706 R1707 W1711 L1712 S1713 | P1705-G1709 PolarHBondContact O-N 3.04Å; C1706-G1709 PolarHBondContact O-N 3.14Å; C1706-G1709 VanDerWaalsContact O-N 3.17Å; R1707-G1709 VanDerWaalsContact C-N 3.32Å; G1709-W1711 PolarHBondContact O-N 3.25Å; G1709-L1712 PolarHBondContact O-N 3.37Å; G1709-S1713 WeakPolarHBondContact O-CB 3.27Å; G1709-S1713 PolarHBondContact O-N 2.83Å |
| 1710 | M | 88.1 | Confident | 87.2 | Confident | 33 Ų | 33 | 72.2 Ų | 72.2 | 16% | 0.163 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 177.3 | -69 | 174 | 172 | 0 | 0 | 112.5 | Y1640 I1675 C1706 R1707 S1713 M1714 E1752 F1753 | Y1640-M1710 HydrophobicContact CE1-CE 4.24Å; I1675-M1710 HydrophobicContact CG2-CE 4.14Å; C1706-M1710 WeakPolarHBondContact O-CG 3.29Å; C1706-M1710 PolarHBondContact O-N 3.13Å; R1707-M1710 PolarHBondContact O-N 3.34Å; M1710-S1713 PolarHBondContact O-N 2.96Å; M1710-M1714 WeakPolarHBondContact O-CB 3.45Å; M1710-M1714 PolarHBondContact O-N 3.15Å; M1710-E1752 HydrophobicContact SD-CB 3.72Å; M1710-E1752 HydrophobicContact SD-CG 4.31Å; M1710-F1753 HydrophobicContact CB-CE1 4.18Å; M1710-F1753 HydrophobicContact CB-CZ 3.98Å |
| 1711 | W | 88 | Confident | 86.8 | Confident | 110 Ų | 110 | 69.2 Ų | 69.2 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 178.3 | -179.8 | 87.7 | 0 | 0 | 0 | 112 | R1707 I1708 G1709 S1713 M1714 R1715 F1753 | R1707-W1711 VanDerWaalsContact O-CB 3.25Å; R1707-W1711 WeakPolarHBondContact O-CB 3.48Å; R1707-W1711 PolarHBondContact O-N 2.72Å; I1708-W1711 PolarHBondContact O-N 3.23Å; G1709-W1711 PolarHBondContact O-N 3.25Å; W1711-S1713 VanDerWaalsContact C-N 3.35Å; W1711-M1714 PolarHBondContact O-N 3.45Å; W1711-R1715 WeakPolarHBondContact O-CB 3.49Å; W1711-R1715 PolarHBondContact O-N 2.72Å; W1711-F1753 HydrophobicContact CB-CE1 4.09Å |
| 1712 | L | 89 | Confident | 86.3 | Confident | 99 Ų | 99 | 68.9 Ų | 68.9 | 52% | 0.518 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 174.5 | -71.9 | 171.3 | 0 | 0 | 0 | 111.1 | I1708 G1709 R1715 W1716 | I1708-L1712 HydrophobicContact CG2-CD1 4.05Å; I1708-L1712 WeakPolarHBondContact O-CG 3.22Å; I1708-L1712 PolarHBondContact O-N 2.57Å; G1709-L1712 PolarHBondContact O-N 3.37Å; L1712-R1715 PolarHBondContact O-N 2.77Å; L1712-W1716 PolarHBondContact O-N 3.37Å |
| 1713 | S | 88.1 | Confident | 86 | Confident | 57 Ų | 57 | 72.9 Ų | 72.9 | 40% | 0.399 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.5 | -52.8 | 175.2 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | G1709 M1710 W1711 R1715 W1716 F1717 | G1709-S1713 WeakPolarHBondContact O-CB 3.27Å; G1709-S1713 PolarHBondContact O-N 2.83Å; M1710-S1713 PolarHBondContact O-N 2.96Å; W1711-S1713 VanDerWaalsContact C-N 3.35Å; S1713-R1715 VanDerWaalsContact C-N 3.29Å; S1713-R1715 PolarHBondContact O-N 2.7Å; S1713-W1716 WeakPolarHBondContact O-CB 3.21Å; S1713-W1716 PolarHBondContact O-N 3.11Å; S1713-F1717 VanDerWaalsContact O-CD2 3.25Å; S1713-F1717 WeakPolarHBondContact O-CD2 3.13Å; S1713-F1717 PolarHBondContact O-N 3.01Å; S1713-F1717 WeakPolarHBondContact OG-CE2 3.35Å |
| 1714 | M | 88.8 | Confident | 85.9 | Confident | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.8 | -42.7 | 176.5 | 179 | -130.1 | 60.8 | 0 | 0 | 111.5 | M1710 W1711 W1716 C1718 F1736 F1753 L1803 | M1710-M1714 WeakPolarHBondContact O-CB 3.45Å; M1710-M1714 PolarHBondContact O-N 3.15Å; W1711-M1714 PolarHBondContact O-N 3.45Å; M1714-W1716 VanDerWaalsContact C-N 3.28Å; M1714-W1716 PolarHBondContact O-N 2.61Å; M1714-C1718 WeakPolarHBondContact O-CB 3.38Å; M1714-C1718 PolarHBondContact O-N 2.68Å; M1714-C1718 PolarHBondContact O-SG 3.06Å; M1714-F1736 HydrophobicContact SD-CB 3.81Å; M1714-F1736 HydrophobicContact SD-CD1 4.16Å; M1714-F1736 HydrophobicContact SD-CG 4.21Å; M1714-F1753 HydrophobicContact CB-CE2 4.32Å; M1714-F1753 HydrophobicContact CB-CZ 3.93Å; M1714-F1753 HydrophobicContact CG-CE2 4.41Å; M1714-F1753 HydrophobicContact CG-CZ 4.4Å; M1714-F1753 HydrophobicContact SD-CZ 4.49Å; M1714-L1803 HydrophobicContact CG-CD2 4.35Å |
| 1715 | R | 86.8 | Confident | 85.8 | Confident | 122 Ų | 122 | 74.1 Ų | 74.1 | 46% | 0.46 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.4 | -34.5 | 178.2 | -120.7 | -174 | 171.2 | -177.7 | -1.6 | 112.6 | W1711 L1712 S1713 R1719 | W1711-R1715 WeakPolarHBondContact O-CB 3.49Å; W1711-R1715 PolarHBondContact O-N 2.72Å; L1712-R1715 PolarHBondContact O-N 2.77Å; S1713-R1715 VanDerWaalsContact C-N 3.29Å; S1713-R1715 PolarHBondContact O-N 2.7Å; R1715-R1719 WeakPolarHBondContact O-CG 3.49Å |
| 1716 | W | 86.6 | Confident | 85.9 | Confident | 137 Ų | 137 | 78.6 Ų | 78.6 | 52% | 0.519 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -72.1 | -50 | 178.8 | -175.5 | 74.9 | 0 | 0 | 0 | 111.7 | L1712 S1713 M1714 R1719 | L1712-W1716 PolarHBondContact O-N 3.37Å; S1713-W1716 WeakPolarHBondContact O-CB 3.21Å; S1713-W1716 PolarHBondContact O-N 3.11Å; M1714-W1716 VanDerWaalsContact C-N 3.28Å; M1714-W1716 PolarHBondContact O-N 2.61Å; W1716-R1719 WeakPolarHBondContact O-CB 3.14Å; W1716-R1719 PolarHBondContact O-N 2.78Å |
| 1717 | F | 84.3 | Confident | 86 | Confident | 94 Ų | 94 | 78 Ų | 78 | 41% | 0.412 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.6 | -39.5 | -179 | -75.2 | -73.1 | 0 | 0 | 0 | 113.5 | S1713 R1719 R1720 L1803 | S1713-F1717 VanDerWaalsContact O-CD2 3.25Å; S1713-F1717 WeakPolarHBondContact O-CD2 3.13Å; S1713-F1717 PolarHBondContact O-N 3.01Å; S1713-F1717 WeakPolarHBondContact OG-CE2 3.35Å; F1717-R1719 PolarHBondContact O-N 2.84Å; F1717-R1720 PolarHBondContact O-N 2.93Å; F1717-R1720 VanDerWaalsContact O-N 3.12Å; F1717-L1803 HydrophobicContact CB-CD1 4.01Å; F1717-L1803 HydrophobicContact CB-CD2 3.57Å; F1717-L1803 HydrophobicContact CB-CG 4.45Å; F1717-L1803 HydrophobicContact CD2-CD1 4.38Å; F1717-L1803 HydrophobicContact CG-CD1 4.17Å; F1717-L1803 HydrophobicContact CG-CD2 4.46Å |
| 1718 | C | 83.6 | Confident | 85.9 | Confident | 6 Ų | 6 | 78.4 Ų | 78.4 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -4.3 | 179.1 | -73.2 | 0 | 0 | 0 | 0 | 114.4 | M1714 R1720 | M1714-C1718 WeakPolarHBondContact O-CB 3.38Å; M1714-C1718 PolarHBondContact O-N 2.68Å; M1714-C1718 PolarHBondContact O-SG 3.06Å; C1718-R1720 VanDerWaalsContact C-N 3.25Å |
| 1719 | R | 81.4 | Confident | 85.6 | Confident | 196 Ų | 196 | 77.7 Ų | 77.7 | 74% | 0.74 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -23 | 170.6 | -71.9 | 172.4 | 177 | 175.6 | -1.9 | 112.9 | R1715 W1716 F1717 | R1715-R1719 WeakPolarHBondContact O-CG 3.49Å; W1716-R1719 WeakPolarHBondContact O-CB 3.14Å; W1716-R1719 PolarHBondContact O-N 2.78Å; F1717-R1719 PolarHBondContact O-N 2.84Å |
| 1720 | R | 80.1 | Confident | 85.7 | Confident | 201 Ų | 201 | 76.3 Ų | 76.3 | 76% | 0.758 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -111.8 | 5.4 | -173.9 | -60.5 | -176.9 | -178.1 | 179.6 | 0.4 | 113.7 | F1717 C1718 | F1717-R1720 PolarHBondContact O-N 2.93Å; F1717-R1720 VanDerWaalsContact O-N 3.12Å; C1718-R1720 VanDerWaalsContact C-N 3.25Å |
| 1721 | L | 80.9 | Confident | 85.9 | Confident | 28 Ų | 28 | 74.8 Ų | 74.8 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -119.9 | 142.9 | -174.4 | -63.6 | 173.7 | 0 | 0 | 0 | 110.2 | L1803 L1805 H1838 | L1721-L1803 HydrophobicContact CD1-CB 4.01Å; L1721-L1805 HydrophobicContact CD1-CD1 4.03Å; L1721-L1805 HydrophobicContact CD1-CD2 4.11Å; L1721-L1805 HydrophobicContact CD1-CG 4.21Å; L1721-L1805 HydrophobicContact CD2-CD1 4.49Å; L1721-L1805 HydrophobicContact CD2-CD2 3.97Å; L1721-H1838 HydrophobicContact CD2-CB 3.8Å |
| 1722 | E | 78 | Confident | 86.2 | Confident | 113 Ų | 113 | 72 Ų | 72 | 53% | 0.528 | 34% | 0.344 | S | S | . | . | trans | -62 | 135.4 | 171.6 | -75.6 | -171.5 | 162.5 | 0 | 0 | 111.2 | S1725 R1836 | E1722-S1725 PolarHBondContact OE2-OG 2.79Å; E1722-S1725 VanDerWaalsContact OE2-OG 3.05Å; E1722-R1836 PolarHBondContact O-NH1 3.27Å; E1722-R1836 PolarHBondContact O-NH2 3.41Å | ||
| 1723 | P | 80.2 | Confident | 86.4 | Confident | 89 Ų | 89 | 67.3 Ų | 67.3 | 58% | 0.578 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -62.1 | -46.6 | -178.4 | -21.4 | 31.2 | 0 | 0 | 0 | 113.5 | G1734 A1735 | P1723-G1734 WeakPolarHBondContact O-CA 3.47Å; P1723-A1735 PolarHBondContact O-N 3.34Å; P1723-A1735 VanDerWaalsContact O-N 3.11Å |
| 1724 | V | 87.4 | Confident | 86.5 | Confident | 55 Ų | 55 | 64.6 Ų | 64.6 | 33% | 0.333 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 130.3 | -175.2 | -178.7 | 0 | 0 | 0 | 0 | 109 | Y1732 L1798 | V1724-Y1732 HydrophobicContact CG1-CD1 3.91Å; V1724-Y1732 HydrophobicContact CG1-CG 4.31Å; V1724-L1798 HydrophobicContact CG1-CD1 3.86Å; V1724-L1798 HydrophobicContact CG2-CD1 3.97Å; V1724-L1798 HydrophobicContact CG2-CD2 4.4Å |
| 1725 | S | 89.8 | Confident | 86.6 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.7 | 176.5 | -49.2 | 0 | 0 | 0 | 0 | 109 | E1722 M1727 L1733 R1835 R1836 | E1722-S1725 PolarHBondContact OE2-OG 2.79Å; E1722-S1725 VanDerWaalsContact OE2-OG 3.05Å; S1725-M1727 WeakPolarHBondContact O-CE 3.34Å; S1725-L1733 PolarHBondContact N-O 2.98Å; S1725-L1733 PolarHBondContact O-N 2.85Å; S1725-R1835 WeakPolarHBondContact CB-O 3.41Å; S1725-R1836 PolarHBondContact OG-NH1 3.33Å |
| 1726 | K | 90.2 | Very high | 86.7 | Confident | 129 Ų | 129 | 60.2 Ų | 60.2 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 124.6 | -179.7 | -176.7 | -178.8 | -179.3 | -177.4 | 0 | 110.3 | Y1732 R1835 | K1726-Y1732 HydrophobicContact CB-CD1 3.97Å; K1726-Y1732 HydrophobicContact CB-CE1 3.81Å; K1726-Y1732 HydrophobicContact CD-CE1 4.26Å; K1726-Y1732 HydrophobicContact CG-CD1 4.21Å; K1726-Y1732 HydrophobicContact CG-CE1 3.76Å; K1726-R1835 WeakPolarHBondContact O-CD 3.5Å |
| 1727 | M | 89 | Confident | 86.7 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -61.7 | -177.7 | -61.1 | -66 | 108.8 | 0 | 0 | 111.3 | S1725 V1731 L1733 V1812 F1831 I1832 R1835 R1836 | S1725-M1727 WeakPolarHBondContact O-CE 3.34Å; M1727-V1731 HydrophobicContact CB-CG1 4.48Å; M1727-V1731 WeakPolarHBondContact CB-O 3.49Å; M1727-V1731 PolarHBondContact N-O 2.77Å; M1727-L1733 HydrophobicContact CE-CB 4.01Å; M1727-L1733 HydrophobicContact CE-CD2 4.32Å; M1727-L1733 HydrophobicContact CG-CB 3.73Å; M1727-L1733 HydrophobicContact SD-CB 4Å; M1727-L1733 HydrophobicContact SD-CD2 4.02Å; M1727-V1812 HydrophobicContact CB-CG1 4.29Å; M1727-V1812 HydrophobicContact CG-CG1 3.99Å; M1727-V1812 HydrophobicContact SD-CG1 4.5Å; M1727-F1831 VanDerWaalsContact O-CE1 3.3Å; M1727-F1831 WeakPolarHBondContact O-CE1 3.44Å; M1727-F1831 WeakPolarHBondContact O-CZ 3.48Å; M1727-I1832 HydrophobicContact SD-CB 4.36Å; M1727-I1832 HydrophobicContact SD-CG1 4.47Å; M1727-I1832 HydrophobicContact SD-CG2 3.56Å; M1727-I1832 VanDerWaalsContact SD-CG2 3.56Å; M1727-R1835 HydrophobicContact CE-CB 3.54Å; M1727-R1835 WeakPolarHBondContact O-CD 3.49Å; M1727-R1835 PolarHBondContact O-NE 2.88Å; M1727-R1835 HydrophobicContact SD-CB 4.4Å; M1727-R1836 HydrophobicContact CE-CB 4.43Å |
| 1728 | T | 87.9 | Confident | 86.8 | Confident | 35 Ų | 35 | 55.1 Ų | 55.1 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | -176.5 | 175.8 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | G1730 V1731 W1815 | T1728-G1730 PolarHBondContact O-N 2.99Å; T1728-G1730 VanDerWaalsContact O-N 3.17Å; T1728-V1731 HydrophobicContact CG2-CB 3.93Å; T1728-V1731 HydrophobicContact CG2-CG2 4.15Å; T1728-V1731 PolarHBondContact N-O 3.41Å; T1728-V1731 PolarHBondContact O-N 2.8Å; T1728-W1815 HydrophobicContact CG2-CH2 3.65Å; T1728-W1815 HydrophobicContact CG2-CZ3 3.53Å |
| 1729 | A | 83.4 | Confident | 86.8 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 62% | 0.62 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 119.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V1731 | A1729-V1731 PolarHBondContact O-N 2.79Š|
| 1730 | G | 88.4 | Confident | 87.1 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 11% | 0.113 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -10 | 177.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | T1728 G1795 S1796 V1797 | T1728-G1730 PolarHBondContact O-N 2.99Å; T1728-G1730 VanDerWaalsContact O-N 3.17Å; G1730-G1795 WeakPolarHBondContact CA-O 3.02Å; G1730-S1796 CarbonylContact O-C 3.42Å; G1730-S1796 WeakPolarHBondContact O-CA 3.24Å; G1730-V1797 PolarHBondContact O-N 3.18Å |
| 1731 | V | 92.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.7 | -177.8 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | M1727 T1728 A1729 L1787 R1791 V1812 W1815 | M1727-V1731 HydrophobicContact CB-CG1 4.48Å; M1727-V1731 WeakPolarHBondContact CB-O 3.49Å; M1727-V1731 PolarHBondContact N-O 2.77Å; T1728-V1731 HydrophobicContact CG2-CB 3.93Å; T1728-V1731 HydrophobicContact CG2-CG2 4.15Å; T1728-V1731 PolarHBondContact N-O 3.41Å; T1728-V1731 PolarHBondContact O-N 2.8Å; A1729-V1731 PolarHBondContact O-N 2.79Å; V1731-L1787 HydrophobicContact CG1-CD1 4.32Å; V1731-L1787 HydrophobicContact CG1-CD2 4.32Å; V1731-L1787 HydrophobicContact CG2-CD1 4.42Å; V1731-R1791 HydrophobicContact CG2-CG 4.35Å; V1731-V1812 HydrophobicContact CG1-CG2 4.24Å; V1731-W1815 HydrophobicContact CB-CZ3 4.45Å; V1731-W1815 HydrophobicContact CG2-CE3 4.35Å; V1731-W1815 HydrophobicContact CG2-CH2 3.7Å; V1731-W1815 HydrophobicContact CG2-CZ2 3.91Å; V1731-W1815 HydrophobicContact CG2-CZ3 3.93Å |
| 1732 | Y | 93.8 | Very high | 87.7 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 20% | 0.204 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.8 | -178.5 | -63.4 | -101.1 | 0 | 0 | 0 | 111 | V1724 K1726 Q1743 V1797 V1799 | V1724-Y1732 HydrophobicContact CG1-CD1 3.91Å; V1724-Y1732 HydrophobicContact CG1-CG 4.31Å; K1726-Y1732 HydrophobicContact CB-CD1 3.97Å; K1726-Y1732 HydrophobicContact CB-CE1 3.81Å; K1726-Y1732 HydrophobicContact CD-CE1 4.26Å; K1726-Y1732 HydrophobicContact CG-CD1 4.21Å; K1726-Y1732 HydrophobicContact CG-CE1 3.76Å; Y1732-Q1743 HydrophobicContact CD1-CG 4.43Å; Y1732-Q1743 HydrophobicContact CD2-CG 3.36Å; Y1732-Q1743 VanDerWaalsContact CE1-NE2 3.28Å; Y1732-Q1743 HydrophobicContact CE2-CG 3.82Å; Y1732-Q1743 HydrophobicContact CG-CG 3.72Å; Y1732-Q1743 VanDerWaalsContact CG-NE2 3.29Å; Y1732-V1797 WeakPolarHBondContact CB-O 3.46Å; Y1732-V1797 PolarHBondContact N-O 3.29Å; Y1732-V1799 PolarHBondContact O-N 3.39Å |
| 1733 | L | 93 | Very high | 88.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130 | -179.2 | 174.3 | 65.2 | 0 | 0 | 0 | 109.8 | S1725 M1727 S1808 A1809 V1812 I1832 I1839 | S1725-L1733 PolarHBondContact N-O 2.98Å; S1725-L1733 PolarHBondContact O-N 2.85Å; M1727-L1733 HydrophobicContact CE-CB 4.01Å; M1727-L1733 HydrophobicContact CE-CD2 4.32Å; M1727-L1733 HydrophobicContact CG-CB 3.73Å; M1727-L1733 HydrophobicContact SD-CB 4Å; M1727-L1733 HydrophobicContact SD-CD2 4.02Å; L1733-S1808 VanDerWaalsContact CD1-C 3.44Å; L1733-S1808 VanDerWaalsContact CD1-CB 3.4Å; L1733-S1808 WeakPolarHBondContact CD1-OG 3.41Å; L1733-A1809 HydrophobicContact CD2-CB 4.17Å; L1733-V1812 HydrophobicContact CD1-CG2 4.29Å; L1733-I1832 HydrophobicContact CD2-CG2 3.7Å; L1733-I1839 HydrophobicContact CD2-CD1 4.06Å |
| 1734 | G | 90.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 179.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | P1723 V1799 H1800 G1804 | P1723-G1734 WeakPolarHBondContact O-CA 3.47Å; G1734-V1799 PolarHBondContact N-O 2.96Å; G1734-H1800 WeakPolarHBondContact O-CA 3.38Å; G1734-H1800 WeakPolarHBondContact O-CB 3.33Å; G1734-G1804 WeakPolarHBondContact O-CA 3.29Å |
| 1735 | A | 90 | Very high | 89.1 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 7% | 0.074 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -85 | 175.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P1723 | P1723-A1735 PolarHBondContact O-N 3.34Å; P1723-A1735 VanDerWaalsContact O-N 3.11Å |
| 1736 | F | 89.9 | Confident | 89.3 | Confident | 27 Ų | 27 | 43.1 Ų | 43.1 | 12% | 0.118 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -53.9 | 125.3 | 178.8 | -173.6 | -89.2 | 0 | 0 | 0 | 111.9 | M1714 R1738 F1753 P1754 H1800 C1801 A1802 | M1714-F1736 HydrophobicContact SD-CB 3.81Å; M1714-F1736 HydrophobicContact SD-CD1 4.16Å; M1714-F1736 HydrophobicContact SD-CG 4.21Å; F1736-R1738 PolarHBondContact O-N 3.3Å; F1736-F1753 HydrophobicContact CD2-CB 3.95Å; F1736-F1753 HydrophobicContact CD2-CD2 4.27Å; F1736-F1753 HydrophobicContact CD2-CG 4.3Å; F1736-F1753 HydrophobicContact CE2-CB 3.53Å; F1736-F1753 HydrophobicContact CE2-CG 4.27Å; F1736-F1753 HydrophobicContact CZ-CB 4.16Å; F1736-P1754 WeakPolarHBondContact CZ-O 3.25Å; F1736-H1800 AromaticContact CD2-CE1 3.8Å; F1736-C1801 PolarHBondContact N-O 3.03Å; F1736-A1802 PolarHBondContact N-O 3.3Å; F1736-A1802 VanDerWaalsContact N-O 3.16Å |
| 1737 | P | 86.7 | Confident | 89.5 | Confident | 11 Ų | 11 | 37 Ų | 37 | 7% | 0.071 | 21% | 0.206 | C | C | . | . | trans | -72.6 | 110.9 | -170.1 | 25.6 | -32.9 | 0 | 0 | 0 | 112.3 | T1759 L1798 | P1737-T1759 HydrophobicContact CB-CG2 3.95Å; P1737-T1759 HydrophobicContact CG-CG2 3.37Å; P1737-L1798 HydrophobicContact CB-CD2 4.35Å | ||
| 1738 | R | 85.2 | Confident | 89.7 | Confident | 113 Ų | 113 | 36.9 Ų | 36.9 | 43% | 0.426 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -91.1 | -21.8 | 176.3 | -65.7 | -179.4 | -71.8 | 148 | -6.3 | 113.6 | F1736 | F1736-R1738 PolarHBondContact O-N 3.3Š|
| 1739 | H | 84.5 | Confident | 90 | Very high | 145 Ų | 145 | 35.2 Ų | 35.2 | 67% | 0.671 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -121.4 | 160.8 | 176.3 | -58.3 | -72.9 | 0 | 0 | 0 | 108.6 | P1741 | H1739-P1741 WeakPolarHBondContact O-CD 3.49Å; H1739-P1741 VanDerWaalsContact O-N 3.14Å |
| 1740 | I | 86.8 | Confident | 90.4 | Very high | 124 Ų | 124 | 31.6 Ų | 31.6 | 64% | 0.636 | 17% | 0.166 | S | C | * | . | trans | -59.3 | 118.1 | -179 | -58.8 | 171 | 0 | 0 | 0 | 108.1 | A1758 | I1740-A1758 WeakPolarHBondContact CA-O 3.43Š| ||
| 1741 | P | 86.7 | Confident | 90.4 | Very high | 10 Ų | 10 | 31.2 Ų | 31.2 | 7% | 0.065 | 16% | 0.161 | C | C | . | . | trans | -69 | 147.6 | 179.6 | 28.6 | -33.1 | 0 | 0 | 0 | 110.1 | H1739 Q1743 V1746 T1759 R1762 L1798 | H1739-P1741 WeakPolarHBondContact O-CD 3.49Å; H1739-P1741 VanDerWaalsContact O-N 3.14Å; P1741-Q1743 PolarHBondContact O-N 3.42Å; P1741-V1746 HydrophobicContact CG-CG2 3.98Å; P1741-T1759 HydrophobicContact CG-CG2 4.29Å; P1741-R1762 HydrophobicContact CG-CG 4.16Å; P1741-R1762 PolarHBondContact O-NE 3.04Å; P1741-R1762 PolarHBondContact O-NH2 3.01Å; P1741-L1798 HydrophobicContact CB-CD2 3.81Å | ||
| 1742 | A | 87.3 | Confident | 90.1 | Very high | 82 Ų | 82 | 31.6 Ų | 31.6 | 68% | 0.678 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -71.4 | -22.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1743 | Q | 91.6 | Very high | 89.8 | Confident | 11 Ų | 11 | 29.6 Ų | 29.6 | 5% | 0.051 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -73.5 | 150.9 | -179 | -65.3 | 68.8 | 32.6 | 0 | 0 | 112 | Y1732 P1741 R1762 S1796 L1798 | Y1732-Q1743 HydrophobicContact CD1-CG 4.43Å; Y1732-Q1743 HydrophobicContact CD2-CG 3.36Å; Y1732-Q1743 VanDerWaalsContact CE1-NE2 3.28Å; Y1732-Q1743 HydrophobicContact CE2-CG 3.82Å; Y1732-Q1743 HydrophobicContact CG-CG 3.72Å; Y1732-Q1743 VanDerWaalsContact CG-NE2 3.29Å; P1741-Q1743 PolarHBondContact O-N 3.42Å; Q1743-R1762 WeakPolarHBondContact O-CD 3.28Å; Q1743-R1762 PolarHBondContact O-NE 3.33Å; Q1743-S1796 WeakPolarHBondContact CA-OG 3.2Å; Q1743-L1798 HydrophobicContact CB-CB 4.11Å; Q1743-L1798 HydrophobicContact CG-CB 4.1Å |
| 1744 | N | 90.9 | Very high | 89.6 | Confident | 69 Ų | 69 | 31 Ų | 31 | 37% | 0.369 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -79 | -32.5 | -177.2 | -67.1 | -24.2 | 0 | 0 | 0 | 112.9 | L1763 Q1794 S1796 | N1744-L1763 PolarHBondContact O-N 3.19Å; N1744-Q1794 HydrophobicContact CB-CB 3.95Å; N1744-Q1794 WeakPolarHBondContact CB-O 3.48Å; N1744-Q1794 PolarHBondContact ND2-O 3.45Å; N1744-S1796 PolarHBondContact N-O 2.9Å; N1744-S1796 VanDerWaalsContact N-O 3.16Å; N1744-S1796 PolarHBondContact N-OG 2.68Å |
| 1745 | A | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 153.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1763 L1790 Q1794 S1796 V1797 L1798 | A1745-L1763 CarbonylContact C-O 3.56Å; A1745-L1763 WeakPolarHBondContact CA-O 3.37Å; A1745-L1763 HydrophobicContact CB-CB 4.3Å; A1745-L1790 HydrophobicContact CB-CB 4.05Å; A1745-L1790 HydrophobicContact CB-CD1 4.49Å; A1745-L1790 HydrophobicContact CB-CD2 4.08Å; A1745-L1790 HydrophobicContact CB-CG 4.44Å; A1745-Q1794 HydrophobicContact CB-CB 4.02Å; A1745-Q1794 HydrophobicContact CB-CG 4.06Å; A1745-S1796 PolarHBondContact N-O 3.12Å; A1745-V1797 HydrophobicContact CB-CG1 4.28Å; A1745-V1797 HydrophobicContact CB-CG2 4.19Å; A1745-V1797 CarbonylContact O-C 3.52Å; A1745-V1797 WeakPolarHBondContact O-CA 3.37Å; A1745-L1798 PolarHBondContact O-N 3.16Å |
| 1746 | V | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 123.6 | 176.4 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | P1741 T1759 R1762 L1763 Y1764 F1765 L1798 H1800 | P1741-V1746 HydrophobicContact CG-CG2 3.98Å; V1746-T1759 HydrophobicContact CG2-CG2 4.18Å; V1746-R1762 HydrophobicContact CG2-CB 4.28Å; V1746-L1763 PolarHBondContact N-O 2.79Å; V1746-Y1764 HydrophobicContact CB-CD2 3.74Å; V1746-Y1764 HydrophobicContact CB-CE2 4.07Å; V1746-Y1764 HydrophobicContact CG1-CD2 3.91Å; V1746-Y1764 HydrophobicContact CG1-CE2 3.69Å; V1746-Y1764 HydrophobicContact CG2-CD2 4.46Å; V1746-F1765 PolarHBondContact O-N 2.8Å; V1746-L1798 WeakPolarHBondContact CA-O 3.45Å; V1746-H1800 WeakPolarHBondContact CG1-CD2 3.44Å; V1746-H1800 WeakPolarHBondContact CG1-NE2 3.46Å |
| 1747 | L | 94.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 107.6 | 169.7 | -178.9 | 63.2 | 0 | 0 | 0 | 109 | V1749 F1765 V1767 A1783 M1786 L1787 L1790 V1797 L1798 V1799 H1800 V1811 | L1747-V1749 HydrophobicContact CG-CG1 4.48Å; L1747-F1765 WeakPolarHBondContact CA-O 3.5Å; L1747-F1765 HydrophobicContact CD1-CB 4.48Å; L1747-V1767 HydrophobicContact CD1-CG2 4.16Å; L1747-A1783 WeakPolarHBondContact CD2-O 3.39Å; L1747-M1786 HydrophobicContact CD1-CB 4.31Å; L1747-M1786 HydrophobicContact CD1-CG 3.89Å; L1747-L1787 HydrophobicContact CD2-CB 3.75Å; L1747-L1787 HydrophobicContact CD2-CD1 4.43Å; L1747-L1790 HydrophobicContact CB-CD1 4.21Å; L1747-L1790 HydrophobicContact CD1-CD1 4.41Å; L1747-V1797 HydrophobicContact CB-CG1 4.11Å; L1747-L1798 PolarHBondContact N-O 3.31Å; L1747-V1799 HydrophobicContact CB-CG2 4.34Å; L1747-V1799 HydrophobicContact CD2-CG1 4.25Å; L1747-V1799 HydrophobicContact CD2-CG2 4.23Å; L1747-V1799 WeakPolarHBondContact O-CA 3.23Å; L1747-H1800 PolarHBondContact O-N 3.4Å; L1747-V1811 HydrophobicContact CD2-CG1 4.31Å |
| 1748 | D | 93.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 118.7 | -179.3 | 173.6 | 23.2 | 0 | 0 | 0 | 111.2 | K1689 T1750 Y1764 F1765 C1766 V1767 H1800 | K1689-D1748 WeakPolarHBondContact CE-OD2 3.4Å; K1689-D1748 IonicContact NZ-OD1 3.46Å; K1689-D1748 IonicContact NZ-OD2 3.63Å; K1689-D1748 PolarHBondContact NZ-OD2 3.47Å; D1748-T1750 VanDerWaalsContact OD1-CB 3.31Å; D1748-T1750 WeakPolarHBondContact OD1-CB 3.19Å; D1748-T1750 WeakPolarHBondContact OD1-CG2 3.27Å; D1748-T1750 PolarHBondContact OD1-N 3.33Å; D1748-T1750 PolarHBondContact OD1-OG1 2.82Å; D1748-T1750 PolarHBondContact OD2-OG1 3.35Å; D1748-Y1764 HydrophobicContact CB-CE1 3.71Å; D1748-Y1764 HydrophobicContact CB-CE2 4.3Å; D1748-Y1764 VanDerWaalsContact CB-CZ 3.48Å; D1748-Y1764 VanDerWaalsContact CB-OH 3.23Å; D1748-Y1764 WeakPolarHBondContact CB-OH 3.3Å; D1748-Y1764 PolarHBondContact OD2-OH 3.42Å; D1748-F1765 PolarHBondContact N-O 3.12Å; D1748-C1766 HydrophobicContact CB-CB 4.23Å; D1748-C1766 CarbonylContact O-C 3.52Å; D1748-C1766 VanDerWaalsContact O-CA 3.26Å; D1748-C1766 WeakPolarHBondContact O-CA 3.18Å; D1748-C1766 PolarHBondContact O-SG 3.08Å; D1748-C1766 PolarHBondContact OD2-SG 3.35Å; D1748-V1767 PolarHBondContact O-N 2.82Å; D1748-H1800 VanDerWaalsContact CG-CE1 3.48Å; D1748-H1800 IonicContact OD1-CE1 2.7Å; D1748-H1800 PolarHBondContact OD1-CE1 3.03Å; D1748-H1800 IonicContact OD1-ND1 3.91Å; D1748-H1800 IonicContact OD1-NE2 3.45Å |
| 1749 | V | 93.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 18.2 | 176.4 | -60.7 | 0 | 0 | 0 | 0 | 113.6 | L1747 V1767 M1769 H1800 C1801 R1807 V1811 | L1747-V1749 HydrophobicContact CG-CG1 4.48Å; V1749-V1767 WeakPolarHBondContact CA-O 3.47Å; V1749-M1769 HydrophobicContact CB-CE 4.41Å; V1749-M1769 HydrophobicContact CB-CG 4.41Å; V1749-M1769 HydrophobicContact CB-SD 3.83Å; V1749-M1769 HydrophobicContact CG1-CE 3.99Å; V1749-M1769 HydrophobicContact CG1-SD 4.05Å; V1749-M1769 PolarHBondContact O-N 3.07Å; V1749-H1800 WeakPolarHBondContact CG2-O 3.2Å; V1749-H1800 PolarHBondContact N-O 3.42Å; V1749-C1801 HydrophobicContact CG2-CB 3.75Å; V1749-R1807 HydrophobicContact CG2-CB 4.02Å; V1749-R1807 PolarHBondContact O-NH1 2.8Å; V1749-V1811 HydrophobicContact CG1-CG2 4.33Å |
| 1750 | T | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 140.9 | 173.8 | 65.5 | 0 | 0 | 0 | 0 | 111.1 | K1689 D1748 E1752 F1753 | K1689-T1750 PolarHBondContact NZ-O 2.99Å; K1689-T1750 PolarHBondContact NZ-OG1 2.86Å; D1748-T1750 VanDerWaalsContact OD1-CB 3.31Å; D1748-T1750 WeakPolarHBondContact OD1-CB 3.19Å; D1748-T1750 WeakPolarHBondContact OD1-CG2 3.27Å; D1748-T1750 PolarHBondContact OD1-N 3.33Å; D1748-T1750 PolarHBondContact OD1-OG1 2.82Å; D1748-T1750 PolarHBondContact OD2-OG1 3.35Å; T1750-E1752 WeakPolarHBondContact CA-OE2 3.41Å; T1750-E1752 WeakPolarHBondContact CB-OE2 3.48Å; T1750-F1753 HydrophobicContact CG2-CD2 4.3Å; T1750-F1753 PolarHBondContact OG1-O 3.27Å |
| 1751 | F | 88.6 | Confident | 89.2 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -95 | -24.6 | 167.8 | 87.7 | -79.1 | 0 | 0 | 0 | 111.5 | I1675 Y1679 A1684 T1687 P1768 M1769 L1770 D1771 | I1675-F1751 HydrophobicContact CD1-CE2 4.3Å; Y1679-F1751 HydrophobicContact CE2-CZ 4.14Å; Y1679-F1751 WeakPolarHBondContact OH-CE1 2.99Å; A1684-F1751 HydrophobicContact CB-CB 4.28Å; T1687-F1751 HydrophobicContact CG2-CD2 3.57Å; T1687-F1751 HydrophobicContact CG2-CE2 3.93Å; T1687-F1751 PolarHBondContact OG1-O 2.95Å; F1751-P1768 HydrophobicContact CB-CB 4.16Å; F1751-M1769 WeakPolarHBondContact CD1-O 3.5Å; F1751-M1769 PolarHBondContact N-O 2.7Å; F1751-L1770 HydrophobicContact CD1-CD2 4.17Å; F1751-L1770 HydrophobicContact CD2-CD2 3.94Å; F1751-L1770 HydrophobicContact CE1-CD2 4.15Å; F1751-L1770 HydrophobicContact CE2-CD2 3.92Å; F1751-L1770 HydrophobicContact CG-CD2 4.07Å; F1751-L1770 HydrophobicContact CZ-CD2 4.03Å; F1751-D1771 HydrophobicContact CE1-CB 4.08Å |
| 1752 | E | 85.6 | Confident | 89.3 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -91 | -30.8 | -165.2 | 63 | -85.5 | -156.3 | 0 | 0 | 114.7 | R1707 M1710 T1750 A1802 R1807 | R1707-E1752 PolarHBondContact NE-O 3.37Å; M1710-E1752 HydrophobicContact SD-CB 3.72Å; M1710-E1752 HydrophobicContact SD-CG 4.31Å; T1750-E1752 WeakPolarHBondContact CA-OE2 3.41Å; T1750-E1752 WeakPolarHBondContact CB-OE2 3.48Å; E1752-A1802 WeakPolarHBondContact OE1-CB 3.45Å; E1752-R1807 IonicContact OE1-CZ 2.74Å; E1752-R1807 IonicContact OE1-NH1 3.29Å; E1752-R1807 PolarHBondContact OE1-NH1 3.05Å; E1752-R1807 IonicContact OE1-NH2 3.86Å; E1752-R1807 PolarHBondContact OE1-NH2 3.24Å; E1752-R1807 IonicContact OE2-CZ 3.46Å; E1752-R1807 IonicContact OE2-NH1 3.17Å; E1752-R1807 PolarHBondContact OE2-NH1 2.95Å; E1752-R1807 IonicContact OE2-NH2 2.85Å |
| 1753 | F | 88.2 | Confident | 89.4 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -106.6 | 130 | -174.9 | -66 | -61.3 | 0 | 0 | 0 | 111.2 | K1689 M1710 W1711 M1714 F1736 T1750 A1802 | K1689-F1753 WeakPolarHBondContact CE-O 3.49Å; K1689-F1753 PolarHBondContact NZ-O 2.93Å; M1710-F1753 HydrophobicContact CB-CE1 4.18Å; M1710-F1753 HydrophobicContact CB-CZ 3.98Å; W1711-F1753 HydrophobicContact CB-CE1 4.09Å; M1714-F1753 HydrophobicContact CB-CE2 4.32Å; M1714-F1753 HydrophobicContact CB-CZ 3.93Å; M1714-F1753 HydrophobicContact CG-CE2 4.41Å; M1714-F1753 HydrophobicContact CG-CZ 4.4Å; M1714-F1753 HydrophobicContact SD-CZ 4.49Å; F1736-F1753 HydrophobicContact CD2-CB 3.95Å; F1736-F1753 HydrophobicContact CD2-CD2 4.27Å; F1736-F1753 HydrophobicContact CD2-CG 4.3Å; F1736-F1753 HydrophobicContact CE2-CB 3.53Å; F1736-F1753 HydrophobicContact CE2-CG 4.27Å; F1736-F1753 HydrophobicContact CZ-CB 4.16Å; T1750-F1753 HydrophobicContact CG2-CD2 4.3Å; T1750-F1753 PolarHBondContact OG1-O 3.27Å; F1753-A1802 HydrophobicContact CD2-CB 4.36Å; F1753-A1802 HydrophobicContact CE2-CB 3.79Å |
| 1754 | P | 89.7 | Confident | 89.4 | Confident | 30 Ų | 30 | 42.9 Ų | 42.9 | 20% | 0.195 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 161.4 | 169.2 | 32.6 | -36.5 | 0 | 0 | 0 | 110.8 | G1693 L1695 Y1700 F1736 G1756 | G1693-P1754 CarbonylContact O-C 3.51Å; G1693-P1754 WeakPolarHBondContact O-CA 3.39Å; L1695-P1754 HydrophobicContact CD1-CB 4Å; L1695-P1754 HydrophobicContact CD1-CG 4.24Å; L1695-P1754 HydrophobicContact CG-CB 4.15Å; Y1700-P1754 HydrophobicContact CE2-CG 4.49Å; F1736-P1754 WeakPolarHBondContact CZ-O 3.25Å; P1754-G1756 PolarHBondContact O-N 2.85Å; P1754-G1756 VanDerWaalsContact O-N 3.15Å |
| 1755 | R | 90.3 | Very high | 89.5 | Confident | 60 Ų | 60 | 41.8 Ų | 41.8 | 23% | 0.226 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -48.3 | 120 | 173.4 | -177.6 | 173.5 | 177.7 | 176.7 | 1.2 | 111.1 | Q1692 G1693 T1759 K1760 R1762 Y1764 | Q1692-R1755 VanDerWaalsContact O-CD 3.3Å; Q1692-R1755 WeakPolarHBondContact O-CD 3.19Å; G1693-R1755 PolarHBondContact O-N 2.49Å; R1755-T1759 VanDerWaalsContact CG-OG1 3.23Å; R1755-T1759 WeakPolarHBondContact CG-OG1 3.4Å; R1755-T1759 PolarHBondContact NE-O 2.99Å; R1755-T1759 PolarHBondContact NH2-O 3.36Å; R1755-K1760 PolarHBondContact NH2-O 3.25Å; R1755-R1762 PolarHBondContact NH2-O 3.17Å; R1755-Y1764 HydrophobicContact CB-CE1 4Å; R1755-Y1764 HydrophobicContact CB-CE2 4.47Å; R1755-Y1764 HydrophobicContact CG-CD1 4.22Å; R1755-Y1764 HydrophobicContact CG-CD2 3.99Å; R1755-Y1764 HydrophobicContact CG-CE1 4.01Å; R1755-Y1764 HydrophobicContact CG-CE2 3.8Å; R1755-Y1764 HydrophobicContact CG-CG 4.18Å |
| 1756 | G | 84.8 | Confident | 89.4 | Confident | 17 Ų | 17 | 42 Ų | 42 | 18% | 0.175 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -74.5 | 151.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1754 A1758 T1759 | P1754-G1756 PolarHBondContact O-N 2.85Å; P1754-G1756 VanDerWaalsContact O-N 3.15Å; G1756-A1758 PolarHBondContact O-N 3.06Å; G1756-A1758 VanDerWaalsContact O-N 3.1Å; G1756-T1759 PolarHBondContact O-N 3.26Å; G1756-T1759 PolarHBondContact O-OG1 2.82Å |
| 1757 | R | 85.4 | Confident | 89.3 | Confident | 243 Ų | 243 | 42 Ų | 42 | 92% | 0.917 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -53.5 | -32 | 177.4 | -72.1 | -175.1 | -178.5 | 176.6 | 0.8 | 113.4 | T1759 K1760 | R1757-T1759 PolarHBondContact O-N 3.47Å; R1757-K1760 WeakPolarHBondContact O-CB 3.44Å; R1757-K1760 PolarHBondContact O-N 3.03Å |
| 1758 | A | 85.9 | Confident | 89.1 | Confident | 20 Ų | 20 | 43.4 Ų | 43.4 | 17% | 0.165 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -63.9 | -19.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1740 G1756 | I1740-A1758 WeakPolarHBondContact CA-O 3.43Å; G1756-A1758 PolarHBondContact O-N 3.06Å; G1756-A1758 VanDerWaalsContact O-N 3.1Å |
| 1759 | T | 88.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -108 | 8.8 | -177.7 | 60.1 | 0 | 0 | 0 | 0 | 112.8 | P1737 P1741 V1746 R1755 G1756 R1757 D1761 R1762 Y1764 | P1737-T1759 HydrophobicContact CB-CG2 3.95Å; P1737-T1759 HydrophobicContact CG-CG2 3.37Å; P1741-T1759 HydrophobicContact CG-CG2 4.29Å; V1746-T1759 HydrophobicContact CG2-CG2 4.18Å; R1755-T1759 VanDerWaalsContact CG-OG1 3.23Å; R1755-T1759 WeakPolarHBondContact CG-OG1 3.4Å; R1755-T1759 PolarHBondContact NE-O 2.99Å; R1755-T1759 PolarHBondContact NH2-O 3.36Å; G1756-T1759 PolarHBondContact O-N 3.26Å; G1756-T1759 PolarHBondContact O-OG1 2.82Å; R1757-T1759 PolarHBondContact O-N 3.47Å; T1759-D1761 PolarHBondContact O-N 2.97Å; T1759-R1762 PolarHBondContact O-N 3.44Å; T1759-Y1764 HydrophobicContact CG2-CD2 4.48Å; T1759-Y1764 HydrophobicContact CG2-CE2 4.18Å |
| 1760 | K | 84.5 | Confident | 88.7 | Confident | 155 Ų | 155 | 43.9 Ų | 43.9 | 67% | 0.674 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -36.8 | -174.5 | -172.4 | -174.7 | 174.6 | -165.5 | 0 | 113 | R1755 R1757 | R1755-K1760 PolarHBondContact NH2-O 3.25Å; R1757-K1760 WeakPolarHBondContact O-CB 3.44Å; R1757-K1760 PolarHBondContact O-N 3.03Å |
| 1761 | D | 85.1 | Confident | 88.4 | Confident | 140 Ų | 140 | 45.9 Ų | 45.9 | 75% | 0.749 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 18.5 | -173.7 | -49.6 | -44.2 | 0 | 0 | 0 | 113.4 | T1759 | T1759-D1761 PolarHBondContact O-N 2.97Š|
| 1762 | R | 87.6 | Confident | 88.2 | Confident | 71 Ų | 71 | 50.1 Ų | 50.1 | 27% | 0.268 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -114.2 | 155 | 177.1 | -61.7 | -59.7 | -168.7 | 176.3 | 6 | 111.1 | P1741 Q1743 V1746 R1755 T1759 Y1764 | P1741-R1762 HydrophobicContact CG-CG 4.16Å; P1741-R1762 PolarHBondContact O-NE 3.04Å; P1741-R1762 PolarHBondContact O-NH2 3.01Å; Q1743-R1762 WeakPolarHBondContact O-CD 3.28Å; Q1743-R1762 PolarHBondContact O-NE 3.33Å; V1746-R1762 HydrophobicContact CG2-CB 4.28Å; R1755-R1762 PolarHBondContact NH2-O 3.17Å; T1759-R1762 PolarHBondContact O-N 3.44Å; R1762-Y1764 PolarHBondContact O-N 2.67Å |
| 1763 | L | 89.6 | Confident | 88.2 | Confident | 72 Ų | 72 | 50.1 Ų | 50.1 | 38% | 0.377 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 131.3 | 168.9 | -171.6 | 67 | 0 | 0 | 0 | 108.2 | N1744 A1745 V1746 L1790 Q1794 | N1744-L1763 PolarHBondContact O-N 3.19Å; A1745-L1763 CarbonylContact C-O 3.56Å; A1745-L1763 WeakPolarHBondContact CA-O 3.37Å; A1745-L1763 HydrophobicContact CB-CB 4.3Å; V1746-L1763 PolarHBondContact N-O 2.79Å; L1763-L1790 HydrophobicContact CD2-CD2 3.46Å; L1763-L1790 VanDerWaalsContact CD2-CD2 3.46Å; L1763-L1790 HydrophobicContact CG-CD2 4.07Å; L1763-Q1794 HydrophobicContact CD2-CG 3.52Å |
| 1764 | Y | 91.7 | Very high | 88.1 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 126.5 | -169.9 | -162.1 | -86.9 | 0 | 0 | 0 | 109.9 | Q1692 V1746 D1748 R1755 T1759 R1762 C1766 | Q1692-Y1764 WeakPolarHBondContact O-CD1 3.26Å; V1746-Y1764 HydrophobicContact CB-CD2 3.74Å; V1746-Y1764 HydrophobicContact CB-CE2 4.07Å; V1746-Y1764 HydrophobicContact CG1-CD2 3.91Å; V1746-Y1764 HydrophobicContact CG1-CE2 3.69Å; V1746-Y1764 HydrophobicContact CG2-CD2 4.46Å; D1748-Y1764 HydrophobicContact CB-CE1 3.71Å; D1748-Y1764 HydrophobicContact CB-CE2 4.3Å; D1748-Y1764 VanDerWaalsContact CB-CZ 3.48Å; D1748-Y1764 VanDerWaalsContact CB-OH 3.23Å; D1748-Y1764 WeakPolarHBondContact CB-OH 3.3Å; D1748-Y1764 PolarHBondContact OD2-OH 3.42Å; R1755-Y1764 HydrophobicContact CB-CE1 4Å; R1755-Y1764 HydrophobicContact CB-CE2 4.47Å; R1755-Y1764 HydrophobicContact CG-CD1 4.22Å; R1755-Y1764 HydrophobicContact CG-CD2 3.99Å; R1755-Y1764 HydrophobicContact CG-CE1 4.01Å; R1755-Y1764 HydrophobicContact CG-CE2 3.8Å; R1755-Y1764 HydrophobicContact CG-CG 4.18Å; T1759-Y1764 HydrophobicContact CG2-CD2 4.48Å; T1759-Y1764 HydrophobicContact CG2-CE2 4.18Å; R1762-Y1764 PolarHBondContact O-N 2.67Å; Y1764-C1766 HydrophobicContact CE1-CB 4.29Å |
| 1765 | F | 92.7 | Very high | 87.9 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 20% | 0.202 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 133.5 | 172.6 | -154.9 | -83.5 | 0 | 0 | 0 | 109.7 | S1691 V1746 L1747 D1748 V1767 M1786 L1790 | S1691-F1765 CarbonylContact O-C 3.59Å; S1691-F1765 VanDerWaalsContact O-CA 3.31Å; S1691-F1765 WeakPolarHBondContact O-CA 3.37Å; V1746-F1765 PolarHBondContact O-N 2.8Å; L1747-F1765 WeakPolarHBondContact CA-O 3.5Å; L1747-F1765 HydrophobicContact CD1-CB 4.48Å; D1748-F1765 PolarHBondContact N-O 3.12Å; F1765-V1767 HydrophobicContact CD1-CG2 4.03Å; F1765-V1767 HydrophobicContact CE1-CG2 4.05Å; F1765-M1786 HydrophobicContact CB-CG 3.95Å; F1765-M1786 HydrophobicContact CB-SD 4.05Å; F1765-M1786 HydrophobicContact CD1-CB 4.45Å; F1765-M1786 HydrophobicContact CD1-CE 4.02Å; F1765-M1786 HydrophobicContact CD1-CG 3.46Å; F1765-M1786 VanDerWaalsContact CD1-CG 3.46Å; F1765-M1786 HydrophobicContact CD1-SD 3.85Å; F1765-M1786 HydrophobicContact CD2-CE 3.87Å; F1765-M1786 HydrophobicContact CD2-CG 4.32Å; F1765-M1786 HydrophobicContact CD2-SD 3.62Å; F1765-M1786 HydrophobicContact CE1-CE 3.68Å; F1765-M1786 HydrophobicContact CE1-CG 3.98Å; F1765-M1786 HydrophobicContact CE1-SD 4.16Å; F1765-M1786 HydrophobicContact CE2-CE 3.53Å; F1765-M1786 HydrophobicContact CE2-SD 3.95Å; F1765-M1786 HydrophobicContact CG-CE 4.09Å; F1765-M1786 HydrophobicContact CG-CG 3.64Å; F1765-M1786 HydrophobicContact CG-SD 3.55Å; F1765-M1786 VanDerWaalsContact CG-SD 3.55Å; F1765-M1786 HydrophobicContact CZ-CE 3.42Å; F1765-M1786 VanDerWaalsContact CZ-CE 3.42Å; F1765-M1786 HydrophobicContact CZ-SD 4.21Å; F1765-L1790 HydrophobicContact CB-CD1 4.06Å |
| 1766 | C | 92.1 | Very high | 87.7 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 127.6 | 179 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | K1689 S1691 D1748 Y1764 | K1689-C1766 WeakPolarHBondContact CE-SG 3.45Å; S1691-C1766 PolarHBondContact O-N 3.03Å; D1748-C1766 HydrophobicContact CB-CB 4.23Å; D1748-C1766 CarbonylContact O-C 3.52Å; D1748-C1766 VanDerWaalsContact O-CA 3.26Å; D1748-C1766 WeakPolarHBondContact O-CA 3.18Å; D1748-C1766 PolarHBondContact O-SG 3.08Å; D1748-C1766 PolarHBondContact OD2-SG 3.35Å; Y1764-C1766 HydrophobicContact CE1-CB 4.29Å |
| 1767 | V | 91.7 | Very high | 87.6 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 88.4 | 166.8 | -176.3 | 0 | 0 | 0 | 0 | 106.4 | L1747 D1748 V1749 F1765 M1769 Q1782 A1783 | L1747-V1767 HydrophobicContact CD1-CG2 4.16Å; D1748-V1767 PolarHBondContact O-N 2.82Å; V1749-V1767 WeakPolarHBondContact CA-O 3.47Å; F1765-V1767 HydrophobicContact CD1-CG2 4.03Å; F1765-V1767 HydrophobicContact CE1-CG2 4.05Å; V1767-M1769 HydrophobicContact CB-CE 4.48Å; V1767-M1769 HydrophobicContact CG1-CE 3.93Å; V1767-M1769 PolarHBondContact O-N 3.37Å; V1767-Q1782 HydrophobicContact CG1-CB 4.4Å; V1767-Q1782 HydrophobicContact CG1-CG 4.4Å; V1767-Q1782 HydrophobicContact CG2-CG 4.22Å; V1767-A1783 HydrophobicContact CB-CB 4.3Å; V1767-A1783 HydrophobicContact CG1-CB 4.2Å; V1767-A1783 HydrophobicContact CG2-CB 4.36Å |
| 1768 | P | 89.5 | Confident | 87.6 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 19% | 0.188 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 123.5 | -169.4 | 26.7 | -33.6 | 0 | 0 | 0 | 110.8 | A1684 K1689 F1751 | A1684-P1768 HydrophobicContact CB-CB 4.19Å; A1684-P1768 HydrophobicContact CB-CG 4.5Å; A1684-P1768 WeakPolarHBondContact CB-O 3.42Å; K1689-P1768 HydrophobicContact CB-CB 4.39Å; F1751-P1768 HydrophobicContact CB-CB 4.16Å |
| 1769 | M | 90.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 137.6 | 178.3 | -62.1 | 170.8 | -176.3 | 0 | 0 | 110.1 | V1749 F1751 V1767 P1775 E1779 A1783 R1807 V1811 | V1749-M1769 HydrophobicContact CB-CE 4.41Å; V1749-M1769 HydrophobicContact CB-CG 4.41Å; V1749-M1769 HydrophobicContact CB-SD 3.83Å; V1749-M1769 HydrophobicContact CG1-CE 3.99Å; V1749-M1769 HydrophobicContact CG1-SD 4.05Å; V1749-M1769 PolarHBondContact O-N 3.07Å; F1751-M1769 WeakPolarHBondContact CD1-O 3.5Å; F1751-M1769 PolarHBondContact N-O 2.7Å; V1767-M1769 HydrophobicContact CB-CE 4.48Å; V1767-M1769 HydrophobicContact CG1-CE 3.93Å; V1767-M1769 PolarHBondContact O-N 3.37Å; M1769-P1775 HydrophobicContact CB-CG 4.49Å; M1769-P1775 HydrophobicContact CE-CB 4.35Å; M1769-P1775 HydrophobicContact CG-CB 4.29Å; M1769-P1775 HydrophobicContact CG-CG 4.31Å; M1769-P1775 HydrophobicContact SD-CB 3.81Å; M1769-P1775 HydrophobicContact SD-CG 3.53Å; M1769-P1775 VanDerWaalsContact SD-CG 3.53Å; M1769-E1779 HydrophobicContact CE-CB 4.26Å; M1769-A1783 HydrophobicContact CE-CB 3.47Å; M1769-A1783 VanDerWaalsContact CE-CB 3.47Å; M1769-R1807 PolarHBondContact O-NH1 3.48Å; M1769-V1811 HydrophobicContact CE-CG2 3.98Å; M1769-V1811 HydrophobicContact SD-CG2 4.38Å |
| 1770 | L | 87.8 | Confident | 87.9 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | trans | -60.2 | 139.6 | 176.3 | -73.9 | 176.3 | 0 | 0 | 0 | 111.7 | Y1679 A1684 F1751 V1773 R1807 | Y1679-L1770 HydrophobicContact CD1-CD1 4.25Å; Y1679-L1770 HydrophobicContact CD1-CD2 4.41Å; Y1679-L1770 HydrophobicContact CE1-CB 4.15Å; Y1679-L1770 HydrophobicContact CE1-CD2 4.16Å; A1684-L1770 HydrophobicContact CB-CG 4.47Å; F1751-L1770 HydrophobicContact CD1-CD2 4.17Å; F1751-L1770 HydrophobicContact CD2-CD2 3.94Å; F1751-L1770 HydrophobicContact CE1-CD2 4.15Å; F1751-L1770 HydrophobicContact CE2-CD2 3.92Å; F1751-L1770 HydrophobicContact CG-CD2 4.07Å; F1751-L1770 HydrophobicContact CZ-CD2 4.03Å; L1770-V1773 HydrophobicContact CB-CB 4.12Å; L1770-V1773 HydrophobicContact CB-CG2 4.16Å; L1770-R1807 WeakPolarHBondContact O-CD 3.45Å | ||
| 1771 | D | 85.4 | Confident | 88.1 | Confident | 43 Ų | 43 | 42.9 Ų | 42.9 | 23% | 0.23 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 152.4 | 176.4 | -162.6 | 29.8 | 0 | 0 | 0 | 111.4 | Y1679 F1751 V1773 R1807 | Y1679-D1771 VanDerWaalsContact CE1-O 3.31Å; Y1679-D1771 WeakPolarHBondContact CE1-O 3.27Å; Y1679-D1771 PolarHBondContact OH-O 3.37Å; F1751-D1771 HydrophobicContact CE1-CB 4.08Å; D1771-V1773 PolarHBondContact O-N 3.33Å; D1771-R1807 IonicContact OD1-CZ 3.36Å; D1771-R1807 IonicContact OD1-NE 2.62Å; D1771-R1807 PolarHBondContact OD1-NE 3.08Å; D1771-R1807 IonicContact OD1-NH2 2.84Å; D1771-R1807 PolarHBondContact OD1-NH2 3.33Å; D1771-R1807 IonicContact OD2-NH2 2.84Å |
| 1772 | L | 85.6 | Confident | 88.5 | Confident | 90 Ų | 90 | 41.1 Ų | 41.1 | 47% | 0.471 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 3.8 | -179.9 | -53.8 | 174.7 | 0 | 0 | 0 | 116.4 | R1632 I1636 | R1632-L1772 VanDerWaalsContact CZ-O 3.25Å; R1632-L1772 PolarHBondContact NE-O 2.89Å; R1632-L1772 PolarHBondContact NH2-O 3.44Å; I1636-L1772 HydrophobicContact CD1-CB 3.76Å; I1636-L1772 HydrophobicContact CG1-CB 4.48Å |
| 1773 | V | 85.1 | Confident | 88.7 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -110.6 | 144.5 | 175.7 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | R1633 I1636 Y1679 L1770 D1771 P1775 | R1633-V1773 HydrophobicContact CG-CG1 4Å; R1633-V1773 HydrophobicContact CG-CG2 3.93Å; I1636-V1773 HydrophobicContact CD1-CG2 3.74Å; Y1679-V1773 HydrophobicContact CD1-CG2 4.13Å; Y1679-V1773 HydrophobicContact CE1-CG2 4.07Å; L1770-V1773 HydrophobicContact CB-CB 4.12Å; L1770-V1773 HydrophobicContact CB-CG2 4.16Å; D1771-V1773 PolarHBondContact O-N 3.33Å; V1773-P1775 WeakPolarHBondContact O-CD 3.18Å |
| 1774 | V | 85.7 | Confident | 88.9 | Confident | 26 Ų | 26 | 34.5 Ų | 34.5 | 16% | 0.158 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 124.4 | 173.1 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | L1810 E1844 M1848 | V1774-L1810 HydrophobicContact CG1-CD2 4.39Å; V1774-E1844 HydrophobicContact CG2-CB 3.8Å; V1774-M1848 HydrophobicContact CG1-CB 3.97Å; V1774-M1848 HydrophobicContact CG1-CE 4.14Å; V1774-M1848 HydrophobicContact CG1-CG 4.2Å |
| 1775 | P | 87 | Confident | 89 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 144.7 | 177.6 | -24.9 | 33.7 | 0 | 0 | 0 | 112.1 | M1769 V1773 E1779 L1810 M1848 | M1769-P1775 HydrophobicContact CB-CG 4.49Å; M1769-P1775 HydrophobicContact CE-CB 4.35Å; M1769-P1775 HydrophobicContact CG-CB 4.29Å; M1769-P1775 HydrophobicContact CG-CG 4.31Å; M1769-P1775 HydrophobicContact SD-CB 3.81Å; M1769-P1775 HydrophobicContact SD-CG 3.53Å; M1769-P1775 VanDerWaalsContact SD-CG 3.53Å; V1773-P1775 WeakPolarHBondContact O-CD 3.18Å; P1775-E1779 WeakPolarHBondContact CA-OE2 3.39Å; P1775-E1779 HydrophobicContact CB-CB 4.4Å; P1775-L1810 VanDerWaalsContact CD-CD2 3.48Å; P1775-L1810 HydrophobicContact CG-CD2 3.85Å; P1775-M1848 WeakPolarHBondContact O-CE 3.41Å |
| 1776 | E | 84.3 | Confident | 89 | Confident | 66 Ų | 66 | 36.1 Ų | 36.1 | 31% | 0.308 | 19% | 0.194 | S | C | . | . | P | Polyproline II helix | trans | -67.9 | 154.5 | 174.1 | -71 | 178.3 | -171.7 | 0 | 0 | 110.7 | Q1627 R1633 G1778 E1779 L1780 | Q1627-E1776 VanDerWaalsContact CD-OE1 3.24Å; Q1627-E1776 PolarHBondContact NE2-OE1 3.35Å; Q1627-E1776 VanDerWaalsContact NE2-OE1 3.1Å; Q1627-E1776 PolarHBondContact NE2-OE2 2.95Å; Q1627-E1776 PolarHBondContact OE1-OE1 3.32Å; R1633-E1776 IonicContact CZ-OE1 3.08Å; R1633-E1776 IonicContact NH1-OE1 3.63Å; R1633-E1776 IonicContact NH2-OE1 2.81Å; R1633-E1776 PolarHBondContact NH2-OE1 2.91Å; E1776-G1778 PolarHBondContact O-N 2.85Å; E1776-E1779 HydrophobicContact CB-CG 4.2Å; E1776-E1779 PolarHBondContact N-OE2 3.35Å; E1776-E1779 WeakPolarHBondContact O-CB 3.24Å; E1776-E1779 PolarHBondContact O-N 3.3Å; E1776-L1780 PolarHBondContact O-N 3.43Å |
| 1777 | E | 84.6 | Confident | 89.1 | Confident | 47 Ų | 47 | 35.9 Ų | 35.9 | 22% | 0.22 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.2 | -36.9 | -178.1 | -161.6 | -158.9 | 152 | 0 | 0 | 112.2 | L1780 R1781 W1852 R1855 | E1777-L1780 PolarHBondContact O-N 3.3Å; E1777-R1781 WeakPolarHBondContact O-CB 3.38Å; E1777-R1781 PolarHBondContact O-N 3.19Å; E1777-W1852 HydrophobicContact CG-CE3 4.3Å; E1777-W1852 HydrophobicContact CG-CZ3 4.1Å; E1777-R1855 IonicContact OE1-CZ 2.83Å; E1777-R1855 IonicContact OE1-NE 2.68Å; E1777-R1855 IonicContact OE1-NH1 2.88Å; E1777-R1855 PolarHBondContact OE1-NH1 3.42Å; E1777-R1855 IonicContact OE2-CZ 3.81Å; E1777-R1855 IonicContact OE2-NH1 3.4Å; E1777-R1855 PolarHBondContact OE2-NH1 2.86Å; E1777-R1855 IonicContact OE2-NH2 3.43Å; E1777-R1855 PolarHBondContact OE2-NH2 2.93Å |
| 1778 | G | 85.4 | Confident | 89.2 | Confident | 52 Ų | 52 | 36.2 Ų | 36.2 | 54% | 0.536 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1776 Q1782 | E1776-G1778 PolarHBondContact O-N 2.85Å; G1778-Q1782 WeakPolarHBondContact O-CB 3.36Å; G1778-Q1782 PolarHBondContact O-N 3.25Å |
| 1779 | E | 88.4 | Confident | 89.3 | Confident | 41 Ų | 41 | 37.4 Ų | 37.4 | 19% | 0.192 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.7 | -42.4 | 176.2 | -60.8 | 176.5 | 139.8 | 0 | 0 | 110.9 | M1769 P1775 E1776 Q1782 A1783 | M1769-E1779 HydrophobicContact CE-CB 4.26Å; P1775-E1779 WeakPolarHBondContact CA-OE2 3.39Å; P1775-E1779 HydrophobicContact CB-CB 4.4Å; E1776-E1779 HydrophobicContact CB-CG 4.2Å; E1776-E1779 PolarHBondContact N-OE2 3.35Å; E1776-E1779 WeakPolarHBondContact O-CB 3.24Å; E1776-E1779 PolarHBondContact O-N 3.3Å; E1779-Q1782 PolarHBondContact O-N 3.23Å; E1779-A1783 WeakPolarHBondContact O-CB 3.05Å; E1779-A1783 PolarHBondContact O-N 2.77Å |
| 1780 | L | 90.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.8 | -45 | 177 | -174.6 | 59.4 | 0 | 0 | 0 | 111 | E1776 E1777 A1783 V1784 L1810 V1811 A1814 M1848 W1852 | E1776-L1780 PolarHBondContact O-N 3.43Å; E1777-L1780 PolarHBondContact O-N 3.3Å; L1780-A1783 PolarHBondContact O-N 3.08Å; L1780-V1784 HydrophobicContact CD1-CG2 4.28Å; L1780-V1784 HydrophobicContact CG-CG2 4.46Å; L1780-V1784 WeakPolarHBondContact O-CB 3.38Å; L1780-V1784 VanDerWaalsContact O-CG2 3.25Å; L1780-V1784 WeakPolarHBondContact O-CG2 3.24Å; L1780-V1784 PolarHBondContact O-N 3.19Å; L1780-L1810 HydrophobicContact CD1-CD2 4.35Å; L1780-L1810 HydrophobicContact CD1-CG 4.18Å; L1780-V1811 HydrophobicContact CD1-CB 4.49Å; L1780-V1811 HydrophobicContact CD1-CG2 3.96Å; L1780-A1814 HydrophobicContact CD1-CB 3.84Å; L1780-A1814 HydrophobicContact CD2-CB 3.99Å; L1780-A1814 HydrophobicContact CG-CB 4.03Å; L1780-M1848 HydrophobicContact CD2-CG 3.9Å; L1780-M1848 HydrophobicContact CD2-SD 4.45Å; L1780-W1852 HydrophobicContact CB-CZ3 4.22Å; L1780-W1852 HydrophobicContact CD2-CD2 4.22Å; L1780-W1852 HydrophobicContact CD2-CE3 3.63Å; L1780-W1852 HydrophobicContact CD2-CZ3 3.98Å; L1780-W1852 HydrophobicContact CG-CE3 4.07Å; L1780-W1852 HydrophobicContact CG-CH2 4.44Å; L1780-W1852 HydrophobicContact CG-CZ3 3.92Å |
| 1781 | R | 90.6 | Very high | 89.7 | Confident | 148 Ų | 148 | 40.2 Ų | 40.2 | 56% | 0.558 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.1 | -43.5 | 175.9 | -175.9 | -178.4 | -95 | 178.3 | -7.1 | 112.3 | E1777 A1783 V1784 A1785 W1852 | E1777-R1781 WeakPolarHBondContact O-CB 3.38Å; E1777-R1781 PolarHBondContact O-N 3.19Å; R1781-A1783 VanDerWaalsContact C-N 3.33Å; R1781-A1783 PolarHBondContact O-N 2.98Å; R1781-V1784 PolarHBondContact O-N 2.99Å; R1781-A1785 VanDerWaalsContact O-CB 3.28Å; R1781-A1785 WeakPolarHBondContact O-CB 3.35Å; R1781-A1785 PolarHBondContact O-N 3.27Å; R1781-W1852 HydrophobicContact CB-CH2 3.77Å; R1781-W1852 HydrophobicContact CB-CZ3 4.08Å; R1781-W1852 HydrophobicContact CG-CH2 4.24Å |
| 1782 | Q | 92 | Very high | 89.8 | Confident | 104 Ų | 104 | 45 Ų | 45 | 49% | 0.486 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.5 | -42.6 | 174.8 | -172.8 | 179.5 | 14.7 | 0 | 0 | 111.5 | V1767 G1778 E1779 M1786 | V1767-Q1782 HydrophobicContact CG1-CB 4.4Å; V1767-Q1782 HydrophobicContact CG1-CG 4.4Å; V1767-Q1782 HydrophobicContact CG2-CG 4.22Å; G1778-Q1782 WeakPolarHBondContact O-CB 3.36Å; G1778-Q1782 PolarHBondContact O-N 3.25Å; E1779-Q1782 PolarHBondContact O-N 3.23Å; Q1782-M1786 WeakPolarHBondContact O-CB 3.44Å; Q1782-M1786 PolarHBondContact O-N 3.28Å |
| 1783 | A | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69 | -40 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1747 V1767 M1769 E1779 L1780 R1781 L1787 V1811 | L1747-A1783 WeakPolarHBondContact CD2-O 3.39Å; V1767-A1783 HydrophobicContact CB-CB 4.3Å; V1767-A1783 HydrophobicContact CG1-CB 4.2Å; V1767-A1783 HydrophobicContact CG2-CB 4.36Å; M1769-A1783 HydrophobicContact CE-CB 3.47Å; M1769-A1783 VanDerWaalsContact CE-CB 3.47Å; E1779-A1783 WeakPolarHBondContact O-CB 3.05Å; E1779-A1783 PolarHBondContact O-N 2.77Å; L1780-A1783 PolarHBondContact O-N 3.08Å; R1781-A1783 VanDerWaalsContact C-N 3.33Å; R1781-A1783 PolarHBondContact O-N 2.98Å; A1783-L1787 VanDerWaalsContact O-CB 3.27Å; A1783-L1787 WeakPolarHBondContact O-CB 3.36Å; A1783-L1787 PolarHBondContact O-N 2.89Å; A1783-V1811 HydrophobicContact CB-CG1 3.98Å; A1783-V1811 HydrophobicContact CB-CG2 3.88Å |
| 1784 | V | 93.7 | Very high | 90.3 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.8 | -45.8 | 176.9 | 169.3 | 0 | 0 | 0 | 0 | 111 | L1780 R1781 L1787 E1788 V1811 A1814 W1815 C1818 Y1819 W1852 | L1780-V1784 HydrophobicContact CD1-CG2 4.28Å; L1780-V1784 HydrophobicContact CG-CG2 4.46Å; L1780-V1784 WeakPolarHBondContact O-CB 3.38Å; L1780-V1784 VanDerWaalsContact O-CG2 3.25Å; L1780-V1784 WeakPolarHBondContact O-CG2 3.24Å; L1780-V1784 PolarHBondContact O-N 3.19Å; R1781-V1784 PolarHBondContact O-N 2.99Å; V1784-L1787 WeakPolarHBondContact O-CB 3.36Å; V1784-L1787 PolarHBondContact O-N 3.21Å; V1784-E1788 PolarHBondContact O-N 3.16Å; V1784-E1788 VanDerWaalsContact O-N 3.07Å; V1784-V1811 HydrophobicContact CG2-CG1 4.49Å; V1784-A1814 HydrophobicContact CG2-CB 3.73Å; V1784-W1815 HydrophobicContact CG1-CB 4.19Å; V1784-W1815 HydrophobicContact CG2-CB 4.38Å; V1784-C1818 HydrophobicContact CG1-CB 4.16Å; V1784-Y1819 HydrophobicContact CG1-CE2 3.91Å; V1784-W1852 HydrophobicContact CB-CZ2 4.28Å; V1784-W1852 HydrophobicContact CG1-CZ2 4.19Å; V1784-W1852 HydrophobicContact CG2-CH2 4.48Å; V1784-W1852 HydrophobicContact CG2-CZ2 4.15Å |
| 1785 | A | 92.2 | Very high | 90.4 | Very high | 46 Ų | 46 | 50.7 Ų | 50.7 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1781 L1787 E1788 T1789 | R1781-A1785 VanDerWaalsContact O-CB 3.28Å; R1781-A1785 WeakPolarHBondContact O-CB 3.35Å; R1781-A1785 PolarHBondContact O-N 3.27Å; A1785-L1787 PolarHBondContact O-N 3.04Å; A1785-E1788 PolarHBondContact O-N 3.21Å; A1785-T1789 PolarHBondContact O-N 2.66Å; A1785-T1789 PolarHBondContact O-OG1 3.04Å; A1785-T1789 VanDerWaalsContact O-OG1 3.05Å |
| 1786 | M | 93.2 | Very high | 90.6 | Very high | 36 Ų | 36 | 51.4 Ų | 51.4 | 18% | 0.177 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.4 | -37.1 | 177.6 | -174.9 | 58.3 | 49.7 | 0 | 0 | 112.8 | L1747 F1765 Q1782 E1788 T1789 L1790 | L1747-M1786 HydrophobicContact CD1-CB 4.31Å; L1747-M1786 HydrophobicContact CD1-CG 3.89Å; F1765-M1786 HydrophobicContact CB-CG 3.95Å; F1765-M1786 HydrophobicContact CB-SD 4.05Å; F1765-M1786 HydrophobicContact CD1-CB 4.45Å; F1765-M1786 HydrophobicContact CD1-CE 4.02Å; F1765-M1786 HydrophobicContact CD1-CG 3.46Å; F1765-M1786 VanDerWaalsContact CD1-CG 3.46Å; F1765-M1786 HydrophobicContact CD1-SD 3.85Å; F1765-M1786 HydrophobicContact CD2-CE 3.87Å; F1765-M1786 HydrophobicContact CD2-CG 4.32Å; F1765-M1786 HydrophobicContact CD2-SD 3.62Å; F1765-M1786 HydrophobicContact CE1-CE 3.68Å; F1765-M1786 HydrophobicContact CE1-CG 3.98Å; F1765-M1786 HydrophobicContact CE1-SD 4.16Å; F1765-M1786 HydrophobicContact CE2-CE 3.53Å; F1765-M1786 HydrophobicContact CE2-SD 3.95Å; F1765-M1786 HydrophobicContact CG-CE 4.09Å; F1765-M1786 HydrophobicContact CG-CG 3.64Å; F1765-M1786 HydrophobicContact CG-SD 3.55Å; F1765-M1786 VanDerWaalsContact CG-SD 3.55Å; F1765-M1786 HydrophobicContact CZ-CE 3.42Å; F1765-M1786 VanDerWaalsContact CZ-CE 3.42Å; F1765-M1786 HydrophobicContact CZ-SD 4.21Å; Q1782-M1786 WeakPolarHBondContact O-CB 3.44Å; Q1782-M1786 PolarHBondContact O-N 3.28Å; M1786-E1788 VanDerWaalsContact C-N 3.27Å; M1786-E1788 PolarHBondContact O-N 3.01Å; M1786-T1789 PolarHBondContact O-N 3.29Å; M1786-L1790 HydrophobicContact CG-CD1 3.87Å; M1786-L1790 HydrophobicContact CG-CG 4.2Å; M1786-L1790 WeakPolarHBondContact O-CB 3.08Å; M1786-L1790 WeakPolarHBondContact O-CG 3.45Å; M1786-L1790 PolarHBondContact O-N 3.34Å; M1786-L1790 HydrophobicContact SD-CD1 4.19Å; M1786-L1790 HydrophobicContact SD-CD2 4.38Å; M1786-L1790 HydrophobicContact SD-CG 3.95Å |
| 1787 | L | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.7 | -44.9 | 173 | 175.5 | 54.4 | 0 | 0 | 0 | 110.7 | V1731 L1747 A1783 V1784 A1785 R1791 V1797 V1799 V1811 W1815 | V1731-L1787 HydrophobicContact CG1-CD1 4.32Å; V1731-L1787 HydrophobicContact CG1-CD2 4.32Å; V1731-L1787 HydrophobicContact CG2-CD1 4.42Å; L1747-L1787 HydrophobicContact CD2-CB 3.75Å; L1747-L1787 HydrophobicContact CD2-CD1 4.43Å; A1783-L1787 VanDerWaalsContact O-CB 3.27Å; A1783-L1787 WeakPolarHBondContact O-CB 3.36Å; A1783-L1787 PolarHBondContact O-N 2.89Å; V1784-L1787 WeakPolarHBondContact O-CB 3.36Å; V1784-L1787 PolarHBondContact O-N 3.21Å; A1785-L1787 PolarHBondContact O-N 3.04Å; L1787-R1791 VanDerWaalsContact O-CB 3.3Å; L1787-R1791 WeakPolarHBondContact O-CB 3.29Å; L1787-R1791 PolarHBondContact O-N 3.32Å; L1787-V1797 HydrophobicContact CD1-CB 3.87Å; L1787-V1797 HydrophobicContact CD1-CG1 3.7Å; L1787-V1797 HydrophobicContact CD1-CG2 4.3Å; L1787-V1799 HydrophobicContact CD1-CG2 3.5Å; L1787-V1799 HydrophobicContact CD2-CG2 3.98Å; L1787-V1799 HydrophobicContact CG-CG2 4.35Å; L1787-V1811 HydrophobicContact CD2-CG1 4.26Å; L1787-W1815 HydrophobicContact CD2-CB 3.77Å; L1787-W1815 HydrophobicContact CD2-CD2 4.1Å; L1787-W1815 HydrophobicContact CD2-CG 3.59Å; L1787-W1815 HydrophobicContact CG-CG 4.19Å |
| 1788 | E | 93.7 | Very high | 91.6 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.8 | -48.7 | 178 | -174.5 | 66.8 | -178.5 | 0 | 0 | 112.1 | V1784 A1785 M1786 L1790 R1791 E1792 W1815 Y1819 | V1784-E1788 PolarHBondContact O-N 3.16Å; V1784-E1788 VanDerWaalsContact O-N 3.07Å; A1785-E1788 PolarHBondContact O-N 3.21Å; M1786-E1788 VanDerWaalsContact C-N 3.27Å; M1786-E1788 PolarHBondContact O-N 3.01Å; E1788-L1790 VanDerWaalsContact C-N 3.3Å; E1788-L1790 PolarHBondContact O-N 3.07Å; E1788-R1791 WeakPolarHBondContact O-CA 3.25Å; E1788-R1791 WeakPolarHBondContact O-CB 3.37Å; E1788-R1791 PolarHBondContact O-N 3.36Å; E1788-R1791 IonicContact OE1-CZ 3.64Å; E1788-R1791 IonicContact OE1-NE 3.06Å; E1788-R1791 PolarHBondContact OE1-NE 3.36Å; E1788-R1791 IonicContact OE1-NH2 3.56Å; E1788-R1791 PolarHBondContact OE1-NH2 2.83Å; E1788-R1791 IonicContact OE2-CZ 3.32Å; E1788-R1791 IonicContact OE2-NE 2.82Å; E1788-R1791 PolarHBondContact OE2-NE 2.84Å; E1788-R1791 IonicContact OE2-NH2 2.96Å; E1788-R1791 PolarHBondContact OE2-NH2 3.17Å; E1788-E1792 HydrophobicContact CG-CG 4.37Å; E1788-E1792 WeakPolarHBondContact O-CG 3.33Å; E1788-E1792 PolarHBondContact O-N 3.31Å; E1788-W1815 PolarHBondContact OE2-NE1 3.17Å; E1788-Y1819 HydrophobicContact CB-CE1 4.24Å; E1788-Y1819 HydrophobicContact CB-CE2 3.85Å; E1788-Y1819 VanDerWaalsContact CB-OH 3.24Å; E1788-Y1819 WeakPolarHBondContact CB-OH 3.12Å; E1788-Y1819 HydrophobicContact CG-CD1 4.4Å; E1788-Y1819 HydrophobicContact CG-CE1 3.59Å; E1788-Y1819 HydrophobicContact CG-CE2 4.09Å; E1788-Y1819 VanDerWaalsContact CG-CZ 3.41Å; E1788-Y1819 WeakPolarHBondContact CG-OH 3.45Å |
| 1789 | T | 92.8 | Very high | 92 | Very high | 53 Ų | 53 | 43.6 Ų | 43.6 | 33% | 0.325 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.1 | -46.8 | 176.7 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | A1785 M1786 R1791 E1792 E1793 | A1785-T1789 PolarHBondContact O-N 2.66Å; A1785-T1789 PolarHBondContact O-OG1 3.04Å; A1785-T1789 VanDerWaalsContact O-OG1 3.05Å; M1786-T1789 PolarHBondContact O-N 3.29Å; T1789-R1791 VanDerWaalsContact C-N 3.3Å; T1789-R1791 PolarHBondContact O-N 2.88Å; T1789-E1792 PolarHBondContact O-N 3.12Å; T1789-E1793 HydrophobicContact CG2-CG 4.35Å; T1789-E1793 WeakPolarHBondContact CG2-OE1 3.49Å; T1789-E1793 VanDerWaalsContact O-CB 3.32Å; T1789-E1793 WeakPolarHBondContact O-CB 3.5Å; T1789-E1793 VanDerWaalsContact O-CG 3.28Å; T1789-E1793 WeakPolarHBondContact O-CG 3.39Å; T1789-E1793 PolarHBondContact O-N 3.15Å |
| 1790 | L | 91.9 | Very high | 92.2 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.3 | -32.3 | 178.2 | -68 | 171.8 | 0 | 0 | 0 | 112.5 | A1745 L1747 L1763 F1765 M1786 E1788 Q1794 V1797 | A1745-L1790 HydrophobicContact CB-CB 4.05Å; A1745-L1790 HydrophobicContact CB-CD1 4.49Å; A1745-L1790 HydrophobicContact CB-CD2 4.08Å; A1745-L1790 HydrophobicContact CB-CG 4.44Å; L1747-L1790 HydrophobicContact CB-CD1 4.21Å; L1747-L1790 HydrophobicContact CD1-CD1 4.41Å; L1763-L1790 HydrophobicContact CD2-CD2 3.46Å; L1763-L1790 VanDerWaalsContact CD2-CD2 3.46Å; L1763-L1790 HydrophobicContact CG-CD2 4.07Å; F1765-L1790 HydrophobicContact CB-CD1 4.06Å; M1786-L1790 HydrophobicContact CG-CD1 3.87Å; M1786-L1790 HydrophobicContact CG-CG 4.2Å; M1786-L1790 WeakPolarHBondContact O-CB 3.08Å; M1786-L1790 WeakPolarHBondContact O-CG 3.45Å; M1786-L1790 PolarHBondContact O-N 3.34Å; M1786-L1790 HydrophobicContact SD-CD1 4.19Å; M1786-L1790 HydrophobicContact SD-CD2 4.38Å; M1786-L1790 HydrophobicContact SD-CG 3.95Å; E1788-L1790 VanDerWaalsContact C-N 3.3Å; E1788-L1790 PolarHBondContact O-N 3.07Å; L1790-Q1794 VanDerWaalsContact O-CB 3.29Å; L1790-Q1794 WeakPolarHBondContact O-CB 3.46Å; L1790-Q1794 PolarHBondContact O-N 3.45Å; L1790-V1797 VanDerWaalsContact C-CG2 3.4Å; L1790-V1797 HydrophobicContact CB-CG1 4.12Å; L1790-V1797 HydrophobicContact CB-CG2 3.63Å; L1790-V1797 HydrophobicContact CD1-CG1 4.2Å |
| 1791 | R | 93.1 | Very high | 92.2 | Very high | 64 Ų | 64 | 41.8 Ų | 41.8 | 24% | 0.242 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.9 | -46.3 | 177.8 | -176.3 | -169.7 | 78.2 | 128.8 | 1.7 | 110.8 | V1731 L1787 E1788 T1789 G1795 V1797 | V1731-R1791 HydrophobicContact CG2-CG 4.35Å; L1787-R1791 VanDerWaalsContact O-CB 3.3Å; L1787-R1791 WeakPolarHBondContact O-CB 3.29Å; L1787-R1791 PolarHBondContact O-N 3.32Å; E1788-R1791 WeakPolarHBondContact O-CA 3.25Å; E1788-R1791 WeakPolarHBondContact O-CB 3.37Å; E1788-R1791 PolarHBondContact O-N 3.36Å; E1788-R1791 IonicContact OE1-CZ 3.64Å; E1788-R1791 IonicContact OE1-NE 3.06Å; E1788-R1791 PolarHBondContact OE1-NE 3.36Å; E1788-R1791 IonicContact OE1-NH2 3.56Å; E1788-R1791 PolarHBondContact OE1-NH2 2.83Å; E1788-R1791 IonicContact OE2-CZ 3.32Å; E1788-R1791 IonicContact OE2-NE 2.82Å; E1788-R1791 PolarHBondContact OE2-NE 2.84Å; E1788-R1791 IonicContact OE2-NH2 2.96Å; E1788-R1791 PolarHBondContact OE2-NH2 3.17Å; T1789-R1791 VanDerWaalsContact C-N 3.3Å; T1789-R1791 PolarHBondContact O-N 2.88Å; R1791-G1795 VanDerWaalsContact O-CA 3.24Å; R1791-G1795 WeakPolarHBondContact O-CA 3.19Å; R1791-G1795 PolarHBondContact O-N 3.08Å; R1791-V1797 HydrophobicContact CB-CG2 4.01Å; R1791-V1797 VanDerWaalsContact N-CG2 3.33Å |
| 1792 | E | 89.5 | Confident | 92.1 | Very high | 143 Ų | 143 | 35 Ų | 35 | 67% | 0.668 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -64.7 | -45 | 177.4 | -70.2 | -174.7 | 150.9 | 0 | 0 | 111.5 | E1788 T1789 | E1788-E1792 HydrophobicContact CG-CG 4.37Å; E1788-E1792 WeakPolarHBondContact O-CG 3.33Å; E1788-E1792 PolarHBondContact O-N 3.31Å; T1789-E1792 PolarHBondContact O-N 3.12Å |
| 1793 | E | 90.7 | Very high | 91.9 | Very high | 124 Ų | 124 | 32 Ų | 32 | 58% | 0.579 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -76.1 | -35.3 | -176.3 | -70.6 | 179.9 | 179.4 | 0 | 0 | 113.8 | T1789 | T1789-E1793 HydrophobicContact CG2-CG 4.35Å; T1789-E1793 WeakPolarHBondContact CG2-OE1 3.49Å; T1789-E1793 VanDerWaalsContact O-CB 3.32Å; T1789-E1793 WeakPolarHBondContact O-CB 3.5Å; T1789-E1793 VanDerWaalsContact O-CG 3.28Å; T1789-E1793 WeakPolarHBondContact O-CG 3.39Å; T1789-E1793 PolarHBondContact O-N 3.15Å |
| 1794 | Q | 89.6 | Confident | 91.6 | Very high | 72 Ų | 72 | 32 Ų | 32 | 34% | 0.336 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -119.2 | -7.7 | -169.2 | -55 | -60.8 | -45.2 | 0 | 0 | 114.7 | N1744 A1745 L1763 L1790 S1796 | N1744-Q1794 HydrophobicContact CB-CB 3.95Å; N1744-Q1794 WeakPolarHBondContact CB-O 3.48Å; N1744-Q1794 PolarHBondContact ND2-O 3.45Å; A1745-Q1794 HydrophobicContact CB-CB 4.02Å; A1745-Q1794 HydrophobicContact CB-CG 4.06Å; L1763-Q1794 HydrophobicContact CD2-CG 3.52Å; L1790-Q1794 VanDerWaalsContact O-CB 3.29Å; L1790-Q1794 WeakPolarHBondContact O-CB 3.46Å; L1790-Q1794 PolarHBondContact O-N 3.45Å; Q1794-S1796 PolarHBondContact O-N 3.38Å |
| 1795 | G | 87.7 | Confident | 91.3 | Very high | 48 Ų | 48 | 33.2 Ų | 33.2 | 50% | 0.495 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 72.3 | -19.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | G1730 R1791 | G1730-G1795 WeakPolarHBondContact CA-O 3.02Å; R1791-G1795 VanDerWaalsContact O-CA 3.24Å; R1791-G1795 WeakPolarHBondContact O-CA 3.19Å; R1791-G1795 PolarHBondContact O-N 3.08Å |
| 1796 | S | 91.5 | Very high | 91.1 | Very high | 19 Ų | 19 | 32.1 Ų | 32.1 | 13% | 0.133 | 17% | 0.172 | C | C | . | . | trans | -147.2 | 124.6 | 174.8 | 61.5 | 0 | 0 | 0 | 0 | 113 | G1730 Q1743 N1744 A1745 Q1794 | G1730-S1796 CarbonylContact O-C 3.42Å; G1730-S1796 WeakPolarHBondContact O-CA 3.24Å; Q1743-S1796 WeakPolarHBondContact CA-OG 3.2Å; N1744-S1796 PolarHBondContact N-O 2.9Å; N1744-S1796 VanDerWaalsContact N-O 3.16Å; N1744-S1796 PolarHBondContact N-OG 2.68Å; A1745-S1796 PolarHBondContact N-O 3.12Å; Q1794-S1796 PolarHBondContact O-N 3.38Å | ||
| 1797 | V | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 131.5 | -176.2 | -167.1 | 0 | 0 | 0 | 0 | 111.1 | G1730 Y1732 A1745 L1747 L1787 L1790 R1791 | G1730-V1797 PolarHBondContact O-N 3.18Å; Y1732-V1797 WeakPolarHBondContact CB-O 3.46Å; Y1732-V1797 PolarHBondContact N-O 3.29Å; A1745-V1797 HydrophobicContact CB-CG1 4.28Å; A1745-V1797 HydrophobicContact CB-CG2 4.19Å; A1745-V1797 CarbonylContact O-C 3.52Å; A1745-V1797 WeakPolarHBondContact O-CA 3.37Å; L1747-V1797 HydrophobicContact CB-CG1 4.11Å; L1787-V1797 HydrophobicContact CD1-CB 3.87Å; L1787-V1797 HydrophobicContact CD1-CG1 3.7Å; L1787-V1797 HydrophobicContact CD1-CG2 4.3Å; L1790-V1797 VanDerWaalsContact C-CG2 3.4Å; L1790-V1797 HydrophobicContact CB-CG1 4.12Å; L1790-V1797 HydrophobicContact CB-CG2 3.63Å; L1790-V1797 HydrophobicContact CD1-CG1 4.2Å; R1791-V1797 HydrophobicContact CB-CG2 4.01Å; R1791-V1797 VanDerWaalsContact N-CG2 3.33Å |
| 1798 | L | 94.2 | Very high | 91 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 114.9 | 168.1 | 174.7 | 63.8 | 0 | 0 | 0 | 110.3 | V1724 P1737 P1741 Q1743 A1745 V1746 L1747 | V1724-L1798 HydrophobicContact CG1-CD1 3.86Å; V1724-L1798 HydrophobicContact CG2-CD1 3.97Å; V1724-L1798 HydrophobicContact CG2-CD2 4.4Å; P1737-L1798 HydrophobicContact CB-CD2 4.35Å; P1741-L1798 HydrophobicContact CB-CD2 3.81Å; Q1743-L1798 HydrophobicContact CB-CB 4.11Å; Q1743-L1798 HydrophobicContact CG-CB 4.1Å; A1745-L1798 PolarHBondContact O-N 3.16Å; V1746-L1798 WeakPolarHBondContact CA-O 3.45Å; L1747-L1798 PolarHBondContact N-O 3.31Å |
| 1799 | V | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 121 | 171.5 | -169.4 | 0 | 0 | 0 | 0 | 109.3 | Y1732 G1734 L1747 L1787 V1811 V1812 | Y1732-V1799 PolarHBondContact O-N 3.39Å; G1734-V1799 PolarHBondContact N-O 2.96Å; L1747-V1799 HydrophobicContact CB-CG2 4.34Å; L1747-V1799 HydrophobicContact CD2-CG1 4.25Å; L1747-V1799 HydrophobicContact CD2-CG2 4.23Å; L1747-V1799 WeakPolarHBondContact O-CA 3.23Å; L1787-V1799 HydrophobicContact CD1-CG2 3.5Å; L1787-V1799 HydrophobicContact CD2-CG2 3.98Å; L1787-V1799 HydrophobicContact CG-CG2 4.35Å; V1799-V1811 HydrophobicContact CG1-CB 4.41Å; V1799-V1811 HydrophobicContact CG1-CG1 4.27Å; V1799-V1812 HydrophobicContact CB-CG2 4.21Å; V1799-V1812 HydrophobicContact CG1-CG2 4.48Å; V1799-V1812 HydrophobicContact CG2-CG2 4.16Å |
| 1800 | H | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 141.6 | -180 | 76.8 | 82.1 | 0 | 0 | 0 | 114 | G1734 F1736 V1746 L1747 D1748 V1749 | G1734-H1800 WeakPolarHBondContact O-CA 3.38Å; G1734-H1800 WeakPolarHBondContact O-CB 3.33Å; F1736-H1800 AromaticContact CD2-CE1 3.8Å; V1746-H1800 WeakPolarHBondContact CG1-CD2 3.44Å; V1746-H1800 WeakPolarHBondContact CG1-NE2 3.46Å; L1747-H1800 PolarHBondContact O-N 3.4Å; D1748-H1800 VanDerWaalsContact CG-CE1 3.48Å; D1748-H1800 IonicContact OD1-CE1 2.7Å; D1748-H1800 PolarHBondContact OD1-CE1 3.03Å; D1748-H1800 IonicContact OD1-ND1 3.91Å; D1748-H1800 IonicContact OD1-NE2 3.45Å; V1749-H1800 WeakPolarHBondContact CG2-O 3.2Å; V1749-H1800 PolarHBondContact N-O 3.42Å |
| 1801 | C | 90.4 | Very high | 91 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | trans | -109.6 | -165.7 | 156.8 | 73.1 | 0 | 0 | 0 | 0 | 109.1 | F1736 V1749 L1803 G1804 R1807 | F1736-C1801 PolarHBondContact N-O 3.03Å; V1749-C1801 HydrophobicContact CG2-CB 3.75Å; C1801-L1803 PolarHBondContact O-N 3.22Å; C1801-G1804 VanDerWaalsContact SG-CA 3.54Å; C1801-G1804 PolarHBondContact SG-N 2.75Å; C1801-R1807 HydrophobicContact CB-CB 3.9Å | ||
| 1802 | A | 88.1 | Confident | 91 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 6% | 0.058 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -55.3 | -54.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1736 E1752 F1753 | F1736-A1802 PolarHBondContact N-O 3.3Å; F1736-A1802 VanDerWaalsContact N-O 3.16Å; E1752-A1802 WeakPolarHBondContact OE1-CB 3.45Å; F1753-A1802 HydrophobicContact CD2-CB 4.36Å; F1753-A1802 HydrophobicContact CE2-CB 3.79Å |
| 1803 | L | 87.9 | Confident | 91.2 | Very high | 40 Ų | 40 | 17.3 Ų | 17.3 | 21% | 0.209 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -107.6 | -11.1 | -177.4 | -57.6 | -178.1 | 0 | 0 | 0 | 113.7 | M1714 F1717 L1721 C1801 L1805 R1836 | M1714-L1803 HydrophobicContact CG-CD2 4.35Å; F1717-L1803 HydrophobicContact CB-CD1 4.01Å; F1717-L1803 HydrophobicContact CB-CD2 3.57Å; F1717-L1803 HydrophobicContact CB-CG 4.45Å; F1717-L1803 HydrophobicContact CD2-CD1 4.38Å; F1717-L1803 HydrophobicContact CG-CD1 4.17Å; F1717-L1803 HydrophobicContact CG-CD2 4.46Å; L1721-L1803 HydrophobicContact CD1-CB 4.01Å; C1801-L1803 PolarHBondContact O-N 3.22Å; L1803-L1805 HydrophobicContact CB-CD1 4.06Å; L1803-L1805 HydrophobicContact CB-CG 3.89Å; L1803-L1805 HydrophobicContact CD1-CD1 4.33Å; L1803-R1836 PolarHBondContact O-NH2 3.17Å |
| 1804 | G | 86.7 | Confident | 91.3 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | S | Bend | trans | 72 | 31.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G1734 C1801 S1808 R1836 | G1734-G1804 WeakPolarHBondContact O-CA 3.29Å; C1801-G1804 VanDerWaalsContact SG-CA 3.54Å; C1801-G1804 PolarHBondContact SG-N 2.75Å; G1804-S1808 WeakPolarHBondContact CA-OG 3.32Å; G1804-R1836 PolarHBondContact O-NE 3.47Å |
| 1805 | L | 87 | Confident | 91.5 | Very high | 28 Ų | 28 | 8 Ų | 8 | 15% | 0.147 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -114.5 | -27.9 | -170.4 | -58.2 | -175.1 | 0 | 0 | 0 | 115.5 | L1721 L1803 H1838 V1840 | L1721-L1805 HydrophobicContact CD1-CD1 4.03Å; L1721-L1805 HydrophobicContact CD1-CD2 4.11Å; L1721-L1805 HydrophobicContact CD1-CG 4.21Å; L1721-L1805 HydrophobicContact CD2-CD1 4.49Å; L1721-L1805 HydrophobicContact CD2-CD2 3.97Å; L1803-L1805 HydrophobicContact CB-CD1 4.06Å; L1803-L1805 HydrophobicContact CB-CG 3.89Å; L1803-L1805 HydrophobicContact CD1-CD1 4.33Å; L1805-H1838 HydrophobicContact CD2-CB 3.88Å; L1805-H1838 WeakPolarHBondContact CD2-O 3.4Å; L1805-V1840 PolarHBondContact O-N 3.39Å |
| 1806 | S | 88.9 | Confident | 91.7 | Very high | 23 Ų | 23 | 5.8 Ų | 5.8 | 16% | 0.161 | 4% | 0.035 | C | C | . | . | S | Bend | trans | -126.7 | -79.8 | -171.9 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | S1808 A1809 L1810 | S1806-S1808 PolarHBondContact O-N 3.37Å; S1806-A1809 WeakPolarHBondContact O-CB 3.37Å; S1806-A1809 PolarHBondContact O-N 3.03Å; S1806-A1809 VanDerWaalsContact O-N 3.08Å; S1806-L1810 PolarHBondContact O-N 3.28Å |
| 1807 | R | 91.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -52.3 | -53.4 | -176.5 | -71.2 | 174.2 | -83.5 | 170.6 | 3.7 | 113.2 | V1749 E1752 M1769 L1770 D1771 C1801 A1809 L1810 V1811 | V1749-R1807 HydrophobicContact CG2-CB 4.02Å; V1749-R1807 PolarHBondContact O-NH1 2.8Å; E1752-R1807 IonicContact OE1-CZ 2.74Å; E1752-R1807 IonicContact OE1-NH1 3.29Å; E1752-R1807 PolarHBondContact OE1-NH1 3.05Å; E1752-R1807 IonicContact OE1-NH2 3.86Å; E1752-R1807 PolarHBondContact OE1-NH2 3.24Å; E1752-R1807 IonicContact OE2-CZ 3.46Å; E1752-R1807 IonicContact OE2-NH1 3.17Å; E1752-R1807 PolarHBondContact OE2-NH1 2.95Å; E1752-R1807 IonicContact OE2-NH2 2.85Å; M1769-R1807 PolarHBondContact O-NH1 3.48Å; L1770-R1807 WeakPolarHBondContact O-CD 3.45Å; D1771-R1807 IonicContact OD1-CZ 3.36Å; D1771-R1807 IonicContact OD1-NE 2.62Å; D1771-R1807 PolarHBondContact OD1-NE 3.08Å; D1771-R1807 IonicContact OD1-NH2 2.84Å; D1771-R1807 PolarHBondContact OD1-NH2 3.33Å; D1771-R1807 IonicContact OD2-NH2 2.84Å; C1801-R1807 HydrophobicContact CB-CB 3.9Å; R1807-A1809 VanDerWaalsContact C-N 3.32Å; R1807-A1809 PolarHBondContact O-N 3.22Å; R1807-L1810 WeakPolarHBondContact O-CB 3.22Å; R1807-L1810 PolarHBondContact O-N 2.91Å; R1807-V1811 WeakPolarHBondContact O-CG2 3.47Å; R1807-V1811 PolarHBondContact O-N 3.45Å |
| 1808 | S | 92.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -67 | -32.7 | 179.3 | 55.1 | 0 | 0 | 0 | 0 | 112.7 | L1733 G1804 S1806 V1812 | L1733-S1808 VanDerWaalsContact CD1-C 3.44Å; L1733-S1808 VanDerWaalsContact CD1-CB 3.4Å; L1733-S1808 WeakPolarHBondContact CD1-OG 3.41Å; G1804-S1808 WeakPolarHBondContact CA-OG 3.32Å; S1806-S1808 PolarHBondContact O-N 3.37Å; S1808-V1812 WeakPolarHBondContact O-CG2 3.36Å; S1808-V1812 PolarHBondContact O-N 3.48Å; S1808-V1812 VanDerWaalsContact O-N 3.17Å |
| 1809 | A | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -69.5 | -37.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1733 S1806 R1807 V1812 A1813 I1839 L1841 | L1733-A1809 HydrophobicContact CD2-CB 4.17Å; S1806-A1809 WeakPolarHBondContact O-CB 3.37Å; S1806-A1809 PolarHBondContact O-N 3.03Å; S1806-A1809 VanDerWaalsContact O-N 3.08Å; R1807-A1809 VanDerWaalsContact C-N 3.32Å; R1807-A1809 PolarHBondContact O-N 3.22Å; A1809-V1812 PolarHBondContact O-N 2.91Å; A1809-A1813 WeakPolarHBondContact O-CB 3.2Å; A1809-A1813 PolarHBondContact O-N 3.48Å; A1809-I1839 HydrophobicContact CB-CD1 4.18Å; A1809-I1839 HydrophobicContact CB-CG1 4.19Å; A1809-I1839 HydrophobicContact CB-CG2 3.87Å; A1809-L1841 HydrophobicContact CB-CD2 4.39Å |
| 1810 | L | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.2 | -46.9 | 174.2 | 180 | 72.7 | 0 | 0 | 0 | 111.7 | V1774 P1775 L1780 S1806 R1807 V1812 A1813 A1814 L1841 H1845 L1849 | V1774-L1810 HydrophobicContact CG1-CD2 4.39Å; P1775-L1810 VanDerWaalsContact CD-CD2 3.48Å; P1775-L1810 HydrophobicContact CG-CD2 3.85Å; L1780-L1810 HydrophobicContact CD1-CD2 4.35Å; L1780-L1810 HydrophobicContact CD1-CG 4.18Å; S1806-L1810 PolarHBondContact O-N 3.28Å; R1807-L1810 WeakPolarHBondContact O-CB 3.22Å; R1807-L1810 PolarHBondContact O-N 2.91Å; L1810-V1812 VanDerWaalsContact C-N 3.34Å; L1810-V1812 PolarHBondContact O-N 3.23Å; L1810-A1813 PolarHBondContact O-N 2.77Å; L1810-A1814 WeakPolarHBondContact O-CB 3.33Å; L1810-A1814 PolarHBondContact O-N 3.22Å; L1810-L1841 HydrophobicContact CB-CD2 4.27Å; L1810-H1845 HydrophobicContact CD1-CB 4.16Å; L1810-L1849 HydrophobicContact CD1-CD1 3.96Å; L1810-L1849 HydrophobicContact CD1-CD2 3.78Å; L1810-L1849 HydrophobicContact CD1-CG 3.56Å |
| 1811 | V | 94 | Very high | 90.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.2 | -44.8 | 177.3 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | L1747 V1749 M1769 L1780 A1783 V1784 L1787 V1799 R1807 A1814 W1815 | L1747-V1811 HydrophobicContact CD2-CG1 4.31Å; V1749-V1811 HydrophobicContact CG1-CG2 4.33Å; M1769-V1811 HydrophobicContact CE-CG2 3.98Å; M1769-V1811 HydrophobicContact SD-CG2 4.38Å; L1780-V1811 HydrophobicContact CD1-CB 4.49Å; L1780-V1811 HydrophobicContact CD1-CG2 3.96Å; A1783-V1811 HydrophobicContact CB-CG1 3.98Å; A1783-V1811 HydrophobicContact CB-CG2 3.88Å; V1784-V1811 HydrophobicContact CG2-CG1 4.49Å; L1787-V1811 HydrophobicContact CD2-CG1 4.26Å; V1799-V1811 HydrophobicContact CG1-CB 4.41Å; V1799-V1811 HydrophobicContact CG1-CG1 4.27Å; R1807-V1811 WeakPolarHBondContact O-CG2 3.47Å; R1807-V1811 PolarHBondContact O-N 3.45Å; V1811-A1814 PolarHBondContact O-N 2.89Å; V1811-W1815 WeakPolarHBondContact O-CB 3.2Å; V1811-W1815 PolarHBondContact O-N 2.67Å |
| 1812 | V | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.1 | -39.6 | 176.4 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | M1727 V1731 L1733 V1799 S1808 A1809 L1810 W1815 L1816 I1832 | M1727-V1812 HydrophobicContact CB-CG1 4.29Å; M1727-V1812 HydrophobicContact CG-CG1 3.99Å; M1727-V1812 HydrophobicContact SD-CG1 4.5Å; V1731-V1812 HydrophobicContact CG1-CG2 4.24Å; L1733-V1812 HydrophobicContact CD1-CG2 4.29Å; V1799-V1812 HydrophobicContact CB-CG2 4.21Å; V1799-V1812 HydrophobicContact CG1-CG2 4.48Å; V1799-V1812 HydrophobicContact CG2-CG2 4.16Å; S1808-V1812 WeakPolarHBondContact O-CG2 3.36Å; S1808-V1812 PolarHBondContact O-N 3.48Å; S1808-V1812 VanDerWaalsContact O-N 3.17Å; A1809-V1812 PolarHBondContact O-N 2.91Å; L1810-V1812 VanDerWaalsContact C-N 3.34Å; L1810-V1812 PolarHBondContact O-N 3.23Å; V1812-W1815 PolarHBondContact O-N 3.27Å; V1812-L1816 HydrophobicContact CG1-CD1 4.25Å; V1812-L1816 HydrophobicContact CG1-CG 4.46Å; V1812-L1816 VanDerWaalsContact O-CG 3.29Å; V1812-L1816 WeakPolarHBondContact O-CG 3.34Å; V1812-L1816 PolarHBondContact O-N 3.4Å; V1812-I1832 HydrophobicContact CB-CD1 4.32Å; V1812-I1832 HydrophobicContact CG1-CD1 4Å; V1812-I1832 HydrophobicContact CG1-CG1 4.3Å |
| 1813 | A | 92.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1809 L1810 W1815 L1816 L1817 I1832 L1849 | A1809-A1813 WeakPolarHBondContact O-CB 3.2Å; A1809-A1813 PolarHBondContact O-N 3.48Å; L1810-A1813 PolarHBondContact O-N 2.77Å; A1813-W1815 VanDerWaalsContact C-N 3.33Å; A1813-W1815 PolarHBondContact O-N 2.92Å; A1813-L1816 PolarHBondContact O-N 2.86Å; A1813-L1817 WeakPolarHBondContact O-CG 3.05Å; A1813-L1817 PolarHBondContact O-N 3.05Å; A1813-L1817 VanDerWaalsContact O-N 3.11Å; A1813-I1832 HydrophobicContact CB-CD1 3.63Å; A1813-L1849 HydrophobicContact CB-CD1 3.67Å; A1813-L1849 HydrophobicContact CB-CD2 3.66Å; A1813-L1849 HydrophobicContact CB-CG 4.33Å |
| 1814 | A | 92.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.9 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1780 V1784 L1810 V1811 L1817 C1818 L1849 W1852 | L1780-A1814 HydrophobicContact CD1-CB 3.84Å; L1780-A1814 HydrophobicContact CD2-CB 3.99Å; L1780-A1814 HydrophobicContact CG-CB 4.03Å; V1784-A1814 HydrophobicContact CG2-CB 3.73Å; L1810-A1814 WeakPolarHBondContact O-CB 3.33Å; L1810-A1814 PolarHBondContact O-N 3.22Å; V1811-A1814 PolarHBondContact O-N 2.89Å; A1814-L1817 PolarHBondContact O-N 3.04Å; A1814-C1818 VanDerWaalsContact O-CB 3.24Å; A1814-C1818 WeakPolarHBondContact O-CB 3.35Å; A1814-C1818 PolarHBondContact O-N 3.04Å; A1814-L1849 HydrophobicContact CB-CD2 3.98Å; A1814-W1852 HydrophobicContact CB-CD2 4.12Å; A1814-W1852 HydrophobicContact CB-CG 4.27Å; A1814-W1852 PolarHBondContact O-NE1 3.13Å; A1814-W1852 VanDerWaalsContact O-NE1 3.13Å |
| 1815 | W | 94.3 | Very high | 90 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.3 | -41.4 | 174 | 178.2 | 88.4 | 0 | 0 | 0 | 112.5 | T1728 V1731 V1784 L1787 E1788 V1811 V1812 A1813 L1817 C1818 Y1819 H1821 | T1728-W1815 HydrophobicContact CG2-CH2 3.65Å; T1728-W1815 HydrophobicContact CG2-CZ3 3.53Å; V1731-W1815 HydrophobicContact CB-CZ3 4.45Å; V1731-W1815 HydrophobicContact CG2-CE3 4.35Å; V1731-W1815 HydrophobicContact CG2-CH2 3.7Å; V1731-W1815 HydrophobicContact CG2-CZ2 3.91Å; V1731-W1815 HydrophobicContact CG2-CZ3 3.93Å; V1784-W1815 HydrophobicContact CG1-CB 4.19Å; V1784-W1815 HydrophobicContact CG2-CB 4.38Å; L1787-W1815 HydrophobicContact CD2-CB 3.77Å; L1787-W1815 HydrophobicContact CD2-CD2 4.1Å; L1787-W1815 HydrophobicContact CD2-CG 3.59Å; L1787-W1815 HydrophobicContact CG-CG 4.19Å; E1788-W1815 PolarHBondContact OE2-NE1 3.17Å; V1811-W1815 WeakPolarHBondContact O-CB 3.2Å; V1811-W1815 PolarHBondContact O-N 2.67Å; V1812-W1815 PolarHBondContact O-N 3.27Å; A1813-W1815 VanDerWaalsContact C-N 3.33Å; A1813-W1815 PolarHBondContact O-N 2.92Å; W1815-L1817 VanDerWaalsContact C-N 3.29Å; W1815-L1817 PolarHBondContact O-N 3.41Å; W1815-C1818 PolarHBondContact O-N 3.39Å; W1815-Y1819 AromaticContact CD1-CD2 3.39Å; W1815-Y1819 AromaticContact CD1-CE2 3.51Å; W1815-Y1819 HydrophobicContact CD2-CD2 4.44Å; W1815-Y1819 HydrophobicContact CG-CD2 4.02Å; W1815-Y1819 HydrophobicContact CG-CE2 4.45Å; W1815-Y1819 AromaticContact NE1-CD2 3.42Å; W1815-Y1819 AromaticContact NE1-CE2 3.7Å; W1815-Y1819 PolarHBondContact O-N 2.95Å; W1815-Y1819 VanDerWaalsContact O-N 3.09Å; W1815-H1821 AromaticContact CH2-CD2 3.32Å; W1815-H1821 WeakPolarHBondContact CH2-CD2 3.25Å; W1815-H1821 AromaticContact CH2-NE2 3.15Å; W1815-H1821 WeakPolarHBondContact CH2-NE2 3.29Å; W1815-H1821 AromaticContact CZ2-CD2 3.98Å; W1815-H1821 AromaticContact CZ2-NE2 3.72Å; W1815-H1821 AromaticContact CZ3-CD2 3.42Å; W1815-H1821 VanDerWaalsContact CZ3-CD2 3.42Å; W1815-H1821 WeakPolarHBondContact CZ3-CD2 3.27Å; W1815-H1821 AromaticContact CZ3-NE2 3.79Å |
| 1816 | L | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.8 | -37.3 | 175.2 | -73.3 | 169.8 | 0 | 0 | 0 | 112.3 | V1812 A1813 H1821 C1822 F1831 I1832 | V1812-L1816 HydrophobicContact CG1-CD1 4.25Å; V1812-L1816 HydrophobicContact CG1-CG 4.46Å; V1812-L1816 VanDerWaalsContact O-CG 3.29Å; V1812-L1816 WeakPolarHBondContact O-CG 3.34Å; V1812-L1816 PolarHBondContact O-N 3.4Å; A1813-L1816 PolarHBondContact O-N 2.86Å; L1816-H1821 HydrophobicContact CB-CB 4.29Å; L1816-H1821 HydrophobicContact CD2-CB 3.47Å; L1816-H1821 VanDerWaalsContact CD2-CB 3.47Å; L1816-H1821 HydrophobicContact CG-CB 4.49Å; L1816-H1821 PolarHBondContact O-N 3.04Å; L1816-C1822 HydrophobicContact CB-CB 4.46Å; L1816-C1822 PolarHBondContact O-N 3.28Å; L1816-C1822 VanDerWaalsContact O-N 3.1Å; L1816-F1831 HydrophobicContact CD1-CD1 3.67Å; L1816-F1831 HydrophobicContact CD1-CE1 4.18Å; L1816-F1831 HydrophobicContact CD1-CG 4.39Å; L1816-F1831 HydrophobicContact CD2-CD1 4.42Å; L1816-F1831 HydrophobicContact CD2-CE1 4.21Å; L1816-I1832 HydrophobicContact CD1-CD1 4.04Å; L1816-I1832 HydrophobicContact CD1-CG1 3.76Å |
| 1817 | L | 90.6 | Very high | 90.1 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 12% | 0.115 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.2 | -50 | 175.2 | -67.1 | 167.6 | 0 | 0 | 0 | 111.5 | A1813 A1814 W1815 Y1819 G1820 V1825 A1828 L1849 | A1813-L1817 WeakPolarHBondContact O-CG 3.05Å; A1813-L1817 PolarHBondContact O-N 3.05Å; A1813-L1817 VanDerWaalsContact O-N 3.11Å; A1814-L1817 PolarHBondContact O-N 3.04Å; W1815-L1817 VanDerWaalsContact C-N 3.29Å; W1815-L1817 PolarHBondContact O-N 3.41Å; L1817-Y1819 VanDerWaalsContact C-N 3.32Å; L1817-Y1819 PolarHBondContact O-N 3.29Å; L1817-G1820 PolarHBondContact O-N 2.91Å; L1817-V1825 HydrophobicContact CD1-CG2 3.98Å; L1817-A1828 HydrophobicContact CD2-CB 4.22Å; L1817-A1828 HydrophobicContact CG-CB 4.21Å; L1817-L1849 HydrophobicContact CD1-CB 4.25Å; L1817-L1849 HydrophobicContact CD1-CD2 3.99Å |
| 1818 | C | 89.6 | Confident | 90.1 | Very high | 68 Ų | 68 | 36.3 Ų | 36.3 | 46% | 0.459 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.1 | -36.9 | -174.7 | -166.5 | 0 | 0 | 0 | 0 | 113.3 | V1784 A1814 W1815 W1852 | V1784-C1818 HydrophobicContact CG1-CB 4.16Å; A1814-C1818 VanDerWaalsContact O-CB 3.24Å; A1814-C1818 WeakPolarHBondContact O-CB 3.35Å; A1814-C1818 PolarHBondContact O-N 3.04Å; W1815-C1818 PolarHBondContact O-N 3.39Å; C1818-W1852 HydrophobicContact CB-CZ2 4.4Å |
| 1819 | Y | 88.4 | Confident | 90 | Very high | 93 Ų | 93 | 36.5 Ų | 36.5 | 37% | 0.365 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 17.2 | -177.7 | -66.3 | -84.6 | 0 | 0 | 0 | 112.9 | V1784 E1788 W1815 L1817 H1821 | V1784-Y1819 HydrophobicContact CG1-CE2 3.91Å; E1788-Y1819 HydrophobicContact CB-CE1 4.24Å; E1788-Y1819 HydrophobicContact CB-CE2 3.85Å; E1788-Y1819 VanDerWaalsContact CB-OH 3.24Å; E1788-Y1819 WeakPolarHBondContact CB-OH 3.12Å; E1788-Y1819 HydrophobicContact CG-CD1 4.4Å; E1788-Y1819 HydrophobicContact CG-CE1 3.59Å; E1788-Y1819 HydrophobicContact CG-CE2 4.09Å; E1788-Y1819 VanDerWaalsContact CG-CZ 3.41Å; E1788-Y1819 WeakPolarHBondContact CG-OH 3.45Å; W1815-Y1819 AromaticContact CD1-CD2 3.39Å; W1815-Y1819 AromaticContact CD1-CE2 3.51Å; W1815-Y1819 HydrophobicContact CD2-CD2 4.44Å; W1815-Y1819 HydrophobicContact CG-CD2 4.02Å; W1815-Y1819 HydrophobicContact CG-CE2 4.45Å; W1815-Y1819 AromaticContact NE1-CD2 3.42Å; W1815-Y1819 AromaticContact NE1-CE2 3.7Å; W1815-Y1819 PolarHBondContact O-N 2.95Å; W1815-Y1819 VanDerWaalsContact O-N 3.09Å; L1817-Y1819 VanDerWaalsContact C-N 3.32Å; L1817-Y1819 PolarHBondContact O-N 3.29Å; Y1819-H1821 PolarHBondContact O-N 3.33Å |
| 1820 | G | 81.8 | Confident | 89.9 | Confident | 59 Ų | 59 | 40 Ų | 40 | 61% | 0.608 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 20.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | L1817 | L1817-G1820 PolarHBondContact O-N 2.91Š|
| 1821 | H | 85.6 | Confident | 89.8 | Confident | 78 Ų | 78 | 42.5 Ų | 42.5 | 36% | 0.361 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -77.3 | -24.3 | 174.6 | -70.8 | -62.2 | 0 | 0 | 0 | 113.2 | W1815 L1816 Y1819 | W1815-H1821 AromaticContact CH2-CD2 3.32Å; W1815-H1821 WeakPolarHBondContact CH2-CD2 3.25Å; W1815-H1821 AromaticContact CH2-NE2 3.15Å; W1815-H1821 WeakPolarHBondContact CH2-NE2 3.29Å; W1815-H1821 AromaticContact CZ2-CD2 3.98Å; W1815-H1821 AromaticContact CZ2-NE2 3.72Å; W1815-H1821 AromaticContact CZ3-CD2 3.42Å; W1815-H1821 VanDerWaalsContact CZ3-CD2 3.42Å; W1815-H1821 WeakPolarHBondContact CZ3-CD2 3.27Å; W1815-H1821 AromaticContact CZ3-NE2 3.79Å; L1816-H1821 HydrophobicContact CB-CB 4.29Å; L1816-H1821 HydrophobicContact CD2-CB 3.47Å; L1816-H1821 VanDerWaalsContact CD2-CB 3.47Å; L1816-H1821 HydrophobicContact CG-CB 4.49Å; L1816-H1821 PolarHBondContact O-N 3.04Å; Y1819-H1821 PolarHBondContact O-N 3.33Å |
| 1822 | C | 88.3 | Confident | 89.6 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | trans | -137.3 | 143.7 | 171 | -61.5 | 0 | 0 | 0 | 0 | 108 | L1816 E1827 A1828 | L1816-C1822 HydrophobicContact CB-CB 4.46Å; L1816-C1822 PolarHBondContact O-N 3.28Å; L1816-C1822 VanDerWaalsContact O-N 3.1Å; C1822-E1827 HydrophobicContact CB-CB 4.21Å; C1822-E1827 HydrophobicContact CB-CG 3.99Å; C1822-A1828 HydrophobicContact CB-CB 3.94Å | ||
| 1823 | K | 82.1 | Confident | 89.5 | Confident | 178 Ų | 178 | 48.2 Ų | 48.2 | 77% | 0.774 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -91.9 | -23.9 | -178 | -66.6 | -175.3 | 179 | -177.7 | 0 | 113.4 | E1827 | K1823-E1827 PolarHBondContact N-OE2 3.4Š|
| 1824 | T | 88.7 | Confident | 89.3 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -130.6 | 154.3 | -177.1 | 64.3 | 0 | 0 | 0 | 0 | 111.9 | D1826 E1827 A1828 E1853 | T1824-D1826 VanDerWaalsContact C-N 3.26Å; T1824-D1826 PolarHBondContact O-N 2.85Å; T1824-E1827 WeakPolarHBondContact O-CB 3.31Å; T1824-E1827 PolarHBondContact O-N 3.48Å; T1824-E1827 VanDerWaalsContact OG1-CB 3.25Å; T1824-E1827 WeakPolarHBondContact OG1-CB 3.48Å; T1824-E1827 PolarHBondContact OG1-N 3.1Å; T1824-A1828 PolarHBondContact O-N 3.12Å; T1824-E1853 VanDerWaalsContact CA-OE1 3.3Å; T1824-E1853 WeakPolarHBondContact CA-OE1 3.46Å |
| 1825 | V | 89.6 | Confident | 89.1 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.7 | -39.8 | 176.3 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | L1817 A1828 I1829 L1849 K1850 E1853 | L1817-V1825 HydrophobicContact CD1-CG2 3.98Å; V1825-A1828 PolarHBondContact O-N 2.95Å; V1825-I1829 HydrophobicContact CG1-CD1 3.7Å; V1825-I1829 HydrophobicContact CG1-CG1 4.36Å; V1825-I1829 VanDerWaalsContact O-CG1 3.28Å; V1825-I1829 WeakPolarHBondContact O-CG1 3.04Å; V1825-I1829 PolarHBondContact O-N 2.92Å; V1825-L1849 HydrophobicContact CB-CB 4.47Å; V1825-L1849 HydrophobicContact CG1-CB 3.79Å; V1825-L1849 HydrophobicContact CG1-CD1 4.29Å; V1825-L1849 VanDerWaalsContact CG2-C 3.46Å; V1825-L1849 HydrophobicContact CG2-CB 3.82Å; V1825-L1849 WeakPolarHBondContact CG2-O 3.37Å; V1825-K1850 HydrophobicContact CB-CG 4.33Å; V1825-K1850 HydrophobicContact CG1-CG 4.46Å; V1825-K1850 HydrophobicContact CG2-CB 4.47Å; V1825-K1850 HydrophobicContact CG2-CG 3.92Å; V1825-E1853 HydrophobicContact CG2-CB 3.97Å; V1825-E1853 WeakPolarHBondContact CG2-OE2 3.31Å |
| 1826 | D | 87.9 | Confident | 88.8 | Confident | 106 Ų | 106 | 57.3 Ų | 57.3 | 57% | 0.567 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68.2 | -35.9 | 179.5 | -70.2 | -40.3 | 0 | 0 | 0 | 112.3 | T1824 S1830 | T1824-D1826 VanDerWaalsContact C-N 3.26Å; T1824-D1826 PolarHBondContact O-N 2.85Å; D1826-S1830 VanDerWaalsContact O-CB 3.23Å; D1826-S1830 WeakPolarHBondContact O-CB 3.34Å; D1826-S1830 PolarHBondContact O-N 3.2Å; D1826-S1830 PolarHBondContact O-OG 2.97Å |
| 1827 | E | 90.8 | Very high | 88.3 | Confident | 89 Ų | 89 | 61.7 Ų | 61.7 | 42% | 0.416 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 172.6 | -173.2 | -179.3 | -165 | 0 | 0 | 110.8 | C1822 K1823 T1824 I1829 S1830 F1831 | C1822-E1827 HydrophobicContact CB-CB 4.21Å; C1822-E1827 HydrophobicContact CB-CG 3.99Å; K1823-E1827 PolarHBondContact N-OE2 3.4Å; T1824-E1827 WeakPolarHBondContact O-CB 3.31Å; T1824-E1827 PolarHBondContact O-N 3.48Å; T1824-E1827 VanDerWaalsContact OG1-CB 3.25Å; T1824-E1827 WeakPolarHBondContact OG1-CB 3.48Å; T1824-E1827 PolarHBondContact OG1-N 3.1Å; E1827-I1829 PolarHBondContact O-N 3.41Å; E1827-S1830 PolarHBondContact O-N 3.45Å; E1827-F1831 VanDerWaalsContact O-CB 3.24Å; E1827-F1831 WeakPolarHBondContact O-CB 3.36Å; E1827-F1831 PolarHBondContact O-N 3.46Å |
| 1828 | A | 90.6 | Very high | 88 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1817 C1822 T1824 V1825 F1831 I1832 | L1817-A1828 HydrophobicContact CD2-CB 4.22Å; L1817-A1828 HydrophobicContact CG-CB 4.21Å; C1822-A1828 HydrophobicContact CB-CB 3.94Å; T1824-A1828 PolarHBondContact O-N 3.12Å; V1825-A1828 PolarHBondContact O-N 2.95Å; A1828-F1831 WeakPolarHBondContact O-CB 3.22Å; A1828-F1831 PolarHBondContact O-N 2.84Å; A1828-I1832 VanDerWaalsContact O-CG1 3.27Å; A1828-I1832 WeakPolarHBondContact O-CG1 3.41Å; A1828-I1832 PolarHBondContact O-N 3.27Å; A1828-I1832 VanDerWaalsContact O-N 3.17Å |
| 1829 | I | 91.5 | Very high | 87.8 | Confident | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 178.4 | -68.5 | 170.6 | 0 | 0 | 0 | 111.2 | V1825 E1827 F1831 I1832 R1833 L1841 K1846 L1849 | V1825-I1829 HydrophobicContact CG1-CD1 3.7Å; V1825-I1829 HydrophobicContact CG1-CG1 4.36Å; V1825-I1829 VanDerWaalsContact O-CG1 3.28Å; V1825-I1829 WeakPolarHBondContact O-CG1 3.04Å; V1825-I1829 PolarHBondContact O-N 2.92Å; E1827-I1829 PolarHBondContact O-N 3.41Å; I1829-F1831 VanDerWaalsContact C-N 3.33Å; I1829-F1831 PolarHBondContact O-N 3.26Å; I1829-I1832 PolarHBondContact O-N 2.8Å; I1829-R1833 HydrophobicContact CG2-CG 4.33Å; I1829-R1833 WeakPolarHBondContact O-CB 3.25Å; I1829-R1833 WeakPolarHBondContact O-CG 3.36Å; I1829-R1833 PolarHBondContact O-N 2.87Å; I1829-L1841 HydrophobicContact CD1-CD1 4.5Å; I1829-L1841 HydrophobicContact CG1-CD1 3.96Å; I1829-K1846 HydrophobicContact CD1-CD 4.21Å; I1829-K1846 HydrophobicContact CD1-CG 3.79Å; I1829-L1849 HydrophobicContact CD1-CD1 4.44Å; I1829-L1849 HydrophobicContact CG1-CD1 4.34Å |
| 1830 | S | 88.9 | Confident | 87.6 | Confident | 73 Ų | 73 | 62 Ų | 62 | 51% | 0.51 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 178.6 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | D1826 E1827 I1832 R1833 A1834 | D1826-S1830 VanDerWaalsContact O-CB 3.23Å; D1826-S1830 WeakPolarHBondContact O-CB 3.34Å; D1826-S1830 PolarHBondContact O-N 3.2Å; D1826-S1830 PolarHBondContact O-OG 2.97Å; E1827-S1830 PolarHBondContact O-N 3.45Å; S1830-I1832 PolarHBondContact O-N 3.23Å; S1830-R1833 PolarHBondContact O-N 2.78Å; S1830-A1834 WeakPolarHBondContact O-CB 3.41Å; S1830-A1834 PolarHBondContact O-N 2.99Å |
| 1831 | F | 91.2 | Very high | 87.8 | Confident | 52 Ų | 52 | 59.6 Ų | 59.6 | 23% | 0.228 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 177.3 | -176.7 | -85.7 | 0 | 0 | 0 | 112.4 | M1727 L1816 E1827 A1828 I1829 R1835 | M1727-F1831 VanDerWaalsContact O-CE1 3.3Å; M1727-F1831 WeakPolarHBondContact O-CE1 3.44Å; M1727-F1831 WeakPolarHBondContact O-CZ 3.48Å; L1816-F1831 HydrophobicContact CD1-CD1 3.67Å; L1816-F1831 HydrophobicContact CD1-CE1 4.18Å; L1816-F1831 HydrophobicContact CD1-CG 4.39Å; L1816-F1831 HydrophobicContact CD2-CD1 4.42Å; L1816-F1831 HydrophobicContact CD2-CE1 4.21Å; E1827-F1831 VanDerWaalsContact O-CB 3.24Å; E1827-F1831 WeakPolarHBondContact O-CB 3.36Å; E1827-F1831 PolarHBondContact O-N 3.46Å; A1828-F1831 WeakPolarHBondContact O-CB 3.22Å; A1828-F1831 PolarHBondContact O-N 2.84Å; I1829-F1831 VanDerWaalsContact C-N 3.33Å; I1829-F1831 PolarHBondContact O-N 3.26Å; F1831-R1835 PolarHBondContact O-NH1 3.31Å |
| 1832 | I | 91 | Very high | 87.8 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -76.1 | -41.2 | -179.8 | -51.8 | 170.1 | 0 | 0 | 0 | 110.4 | M1727 L1733 V1812 A1813 L1816 A1828 I1829 S1830 A1834 R1835 R1836 I1839 | M1727-I1832 HydrophobicContact SD-CB 4.36Å; M1727-I1832 HydrophobicContact SD-CG1 4.47Å; M1727-I1832 HydrophobicContact SD-CG2 3.56Å; M1727-I1832 VanDerWaalsContact SD-CG2 3.56Å; L1733-I1832 HydrophobicContact CD2-CG2 3.7Å; V1812-I1832 HydrophobicContact CB-CD1 4.32Å; V1812-I1832 HydrophobicContact CG1-CD1 4Å; V1812-I1832 HydrophobicContact CG1-CG1 4.3Å; A1813-I1832 HydrophobicContact CB-CD1 3.63Å; L1816-I1832 HydrophobicContact CD1-CD1 4.04Å; L1816-I1832 HydrophobicContact CD1-CG1 3.76Å; A1828-I1832 VanDerWaalsContact O-CG1 3.27Å; A1828-I1832 WeakPolarHBondContact O-CG1 3.41Å; A1828-I1832 PolarHBondContact O-N 3.27Å; A1828-I1832 VanDerWaalsContact O-N 3.17Å; I1829-I1832 PolarHBondContact O-N 2.8Å; S1830-I1832 PolarHBondContact O-N 3.23Å; I1832-A1834 VanDerWaalsContact C-N 3.29Å; I1832-A1834 PolarHBondContact O-N 2.96Å; I1832-R1835 PolarHBondContact O-N 3.46Å; I1832-R1836 PolarHBondContact O-N 3.32Å; I1832-I1839 HydrophobicContact CB-CD1 3.92Å; I1832-I1839 HydrophobicContact CG2-CD1 3.05Å |
| 1833 | R | 89.7 | Confident | 87.6 | Confident | 119 Ų | 119 | 66.6 Ų | 66.6 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.6 | -35.2 | 176.8 | -81.7 | -178.9 | 173.7 | 172.8 | -2.3 | 113.4 | I1829 S1830 R1835 R1836 S1837 | I1829-R1833 HydrophobicContact CG2-CG 4.33Å; I1829-R1833 WeakPolarHBondContact O-CB 3.25Å; I1829-R1833 WeakPolarHBondContact O-CG 3.36Å; I1829-R1833 PolarHBondContact O-N 2.87Å; S1830-R1833 PolarHBondContact O-N 2.78Å; R1833-R1835 PolarHBondContact O-N 2.67Å; R1833-R1836 CarbonylContact O-C 3.4Å; R1833-R1836 PolarHBondContact O-N 3.47Å; R1833-S1837 PolarHBondContact O-N 3.03Å |
| 1834 | A | 89.2 | Confident | 87.7 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 69% | 0.686 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1830 I1832 | S1830-A1834 WeakPolarHBondContact O-CB 3.41Å; S1830-A1834 PolarHBondContact O-N 2.99Å; I1832-A1834 VanDerWaalsContact C-N 3.29Å; I1832-A1834 PolarHBondContact O-N 2.96Å |
| 1835 | R | 88.4 | Confident | 87.7 | Confident | 104 Ų | 104 | 59.9 Ų | 59.9 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -19.2 | -177 | -66.8 | 161.8 | 171.4 | 78.9 | 2.1 | 113.3 | S1725 K1726 M1727 F1831 I1832 R1833 | S1725-R1835 WeakPolarHBondContact CB-O 3.41Å; K1726-R1835 WeakPolarHBondContact O-CD 3.5Å; M1727-R1835 HydrophobicContact CE-CB 3.54Å; M1727-R1835 WeakPolarHBondContact O-CD 3.49Å; M1727-R1835 PolarHBondContact O-NE 2.88Å; M1727-R1835 HydrophobicContact SD-CB 4.4Å; F1831-R1835 PolarHBondContact O-NH1 3.31Å; I1832-R1835 PolarHBondContact O-N 3.46Å; R1833-R1835 PolarHBondContact O-N 2.67Å |
| 1836 | R | 87.8 | Confident | 87.7 | Confident | 6 Ų | 6 | 62 Ų | 62 | 2% | 0.023 | 32% | 0.318 | C | S | . | . | trans | -147.2 | 92.8 | 176.6 | -169.7 | 174.3 | -173.7 | 79.5 | 0.8 | 109.3 | E1722 S1725 M1727 L1803 G1804 I1832 R1833 H1838 I1839 | E1722-R1836 PolarHBondContact O-NH1 3.27Å; E1722-R1836 PolarHBondContact O-NH2 3.41Å; S1725-R1836 PolarHBondContact OG-NH1 3.33Å; M1727-R1836 HydrophobicContact CE-CB 4.43Å; L1803-R1836 PolarHBondContact O-NH2 3.17Å; G1804-R1836 PolarHBondContact O-NE 3.47Å; I1832-R1836 PolarHBondContact O-N 3.32Å; R1833-R1836 CarbonylContact O-C 3.4Å; R1833-R1836 PolarHBondContact O-N 3.47Å; R1836-H1838 PolarHBondContact O-N 3.31Å; R1836-I1839 HydrophobicContact CB-CD1 3.85Å; R1836-I1839 HydrophobicContact CB-CG1 4.18Å; R1836-I1839 HydrophobicContact CG-CD1 4.29Å; R1836-I1839 HydrophobicContact CG-CG1 4.11Å; R1836-I1839 WeakPolarHBondContact O-CD1 3.5Å; R1836-I1839 WeakPolarHBondContact O-CG1 3.5Å | ||
| 1837 | S | 82.4 | Confident | 87.7 | Confident | 91 Ų | 91 | 59.5 Ų | 59.5 | 64% | 0.636 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.9 | -172.2 | 55 | 0 | 0 | 0 | 0 | 114.7 | R1833 I1839 | R1833-S1837 PolarHBondContact O-N 3.03Å; S1837-I1839 VanDerWaalsContact C-N 3.33Å; S1837-I1839 PolarHBondContact O-N 3.27Å |
| 1838 | H | 83.9 | Confident | 87.6 | Confident | 101 Ų | 101 | 57.1 Ų | 57.1 | 47% | 0.468 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 8.5 | -172.9 | -61.1 | -67.2 | 0 | 0 | 0 | 115.3 | L1721 L1805 R1836 V1840 | L1721-H1838 HydrophobicContact CD2-CB 3.8Å; L1805-H1838 HydrophobicContact CD2-CB 3.88Å; L1805-H1838 WeakPolarHBondContact CD2-O 3.4Å; R1836-H1838 PolarHBondContact O-N 3.31Å; H1838-V1840 PolarHBondContact O-N 2.9Å |
| 1839 | I | 85.6 | Confident | 87.5 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 6% | 0.056 | 30% | 0.302 | C | S | . | . | trans | -65.2 | 134 | -175.9 | -72.4 | 167.4 | 0 | 0 | 0 | 112 | L1733 A1809 I1832 R1836 S1837 L1841 | L1733-I1839 HydrophobicContact CD2-CD1 4.06Å; A1809-I1839 HydrophobicContact CB-CD1 4.18Å; A1809-I1839 HydrophobicContact CB-CG1 4.19Å; A1809-I1839 HydrophobicContact CB-CG2 3.87Å; I1832-I1839 HydrophobicContact CB-CD1 3.92Å; I1832-I1839 HydrophobicContact CG2-CD1 3.05Å; R1836-I1839 HydrophobicContact CB-CD1 3.85Å; R1836-I1839 HydrophobicContact CB-CG1 4.18Å; R1836-I1839 HydrophobicContact CG-CD1 4.29Å; R1836-I1839 HydrophobicContact CG-CG1 4.11Å; R1836-I1839 WeakPolarHBondContact O-CD1 3.5Å; R1836-I1839 WeakPolarHBondContact O-CG1 3.5Å; S1837-I1839 VanDerWaalsContact C-N 3.33Å; S1837-I1839 PolarHBondContact O-N 3.27Å; I1839-L1841 HydrophobicContact CG2-CD1 3.9Å; I1839-L1841 HydrophobicContact CG2-CG 3.64Å | ||
| 1840 | V | 84.5 | Confident | 87.3 | Confident | 77 Ų | 77 | 62 Ų | 62 | 47% | 0.467 | 32% | 0.323 | S | S | . | . | trans | -117.2 | 84.9 | -179.7 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | L1805 H1838 | L1805-V1840 PolarHBondContact O-N 3.39Å; H1838-V1840 PolarHBondContact O-N 2.9Å | ||
| 1841 | L | 86 | Confident | 87.1 | Confident | 9 Ų | 9 | 62.7 Ų | 62.7 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | trans | -100.9 | 101.2 | 169.8 | -65.2 | 171.6 | 0 | 0 | 0 | 109 | A1809 L1810 I1829 I1839 H1845 | A1809-L1841 HydrophobicContact CB-CD2 4.39Å; L1810-L1841 HydrophobicContact CB-CD2 4.27Å; I1829-L1841 HydrophobicContact CD1-CD1 4.5Å; I1829-L1841 HydrophobicContact CG1-CD1 3.96Å; I1839-L1841 HydrophobicContact CG2-CD1 3.9Å; I1839-L1841 HydrophobicContact CG2-CG 3.64Å; L1841-H1845 HydrophobicContact CB-CB 4.17Å; L1841-H1845 HydrophobicContact CD2-CB 3.84Å | ||
| 1842 | K | 86.1 | Confident | 86.8 | Confident | 100 Ų | 100 | 61.3 Ų | 61.3 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | trans | -65.1 | 164.2 | 172.1 | -55.5 | -177.6 | -178.9 | 179.2 | 0 | 111.3 | E1844 H1845 K1846 | K1842-E1844 PolarHBondContact O-N 2.6Å; K1842-E1844 VanDerWaalsContact O-N 3.12Å; K1842-H1845 PolarHBondContact N-ND1 3.24Å; K1842-H1845 WeakPolarHBondContact O-CB 3.36Å; K1842-H1845 PolarHBondContact O-N 3.48Å; K1842-H1845 PolarHBondContact O-ND1 3.01Å; K1842-K1846 PolarHBondContact O-N 3.01Å | ||
| 1843 | E | 83.6 | Confident | 86.4 | Confident | 129 Ų | 129 | 64.6 Ų | 64.6 | 60% | 0.603 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -50.9 | -37.1 | 178.4 | -70.3 | -52.2 | 126.8 | 0 | 0 | 113.7 | H1845 K1846 A1847 | E1843-H1845 VanDerWaalsContact C-N 3.33Å; E1843-H1845 PolarHBondContact O-N 3.45Å; E1843-K1846 CarbonylContact O-C 3.59Å; E1843-K1846 WeakPolarHBondContact O-CB 3.41Å; E1843-K1846 PolarHBondContact O-N 2.87Å; E1843-K1846 VanDerWaalsContact O-N 3.12Å; E1843-K1846 WeakPolarHBondContact OE1-CE 3.45Å; E1843-K1846 IonicContact OE1-NZ 2.76Å; E1843-K1846 PolarHBondContact OE1-NZ 3.34Å; E1843-K1846 IonicContact OE2-NZ 3.93Å; E1843-A1847 PolarHBondContact O-N 3.44Å |
| 1844 | E | 84.6 | Confident | 85.9 | Confident | 92 Ų | 92 | 65.5 Ų | 65.5 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.2 | -35.7 | 176.8 | -59.5 | 167.2 | -139.4 | 0 | 0 | 113.2 | R1632 V1774 K1842 K1846 A1847 M1848 | R1632-E1844 IonicContact CZ-OE1 2.89Å; R1632-E1844 IonicContact CZ-OE2 3.73Å; R1632-E1844 IonicContact NE-OE2 3.22Å; R1632-E1844 IonicContact NH1-OE1 2.68Å; R1632-E1844 PolarHBondContact NH1-OE1 3.24Å; R1632-E1844 IonicContact NH1-OE2 2.91Å; R1632-E1844 PolarHBondContact NH1-OE2 2.83Å; V1774-E1844 HydrophobicContact CG2-CB 3.8Å; K1842-E1844 PolarHBondContact O-N 2.6Å; K1842-E1844 VanDerWaalsContact O-N 3.12Å; E1844-K1846 VanDerWaalsContact C-N 3.32Å; E1844-A1847 PolarHBondContact O-N 3.47Å; E1844-M1848 PolarHBondContact O-N 2.93Å |
| 1845 | H | 89.4 | Confident | 84.6 | Confident | 6 Ų | 6 | 71.1 Ų | 71.1 | 3% | 0.028 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.9 | -38.3 | 174.3 | -57.3 | 94.9 | 0 | 0 | 0 | 110.5 | L1810 L1841 K1842 E1843 A1847 M1848 L1849 | L1810-H1845 HydrophobicContact CD1-CB 4.16Å; L1841-H1845 HydrophobicContact CB-CB 4.17Å; L1841-H1845 HydrophobicContact CD2-CB 3.84Å; K1842-H1845 PolarHBondContact N-ND1 3.24Å; K1842-H1845 WeakPolarHBondContact O-CB 3.36Å; K1842-H1845 PolarHBondContact O-N 3.48Å; K1842-H1845 PolarHBondContact O-ND1 3.01Å; E1843-H1845 VanDerWaalsContact C-N 3.33Å; E1843-H1845 PolarHBondContact O-N 3.45Å; H1845-A1847 VanDerWaalsContact C-N 3.33Å; H1845-M1848 PolarHBondContact O-N 3.27Å; H1845-L1849 WeakPolarHBondContact O-CG 3.38Å; H1845-L1849 PolarHBondContact O-N 3.46Å |
| 1846 | K | 89 | Confident | 84.5 | Confident | 47 Ų | 47 | 69.5 Ų | 69.5 | 20% | 0.204 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 174.4 | -55.7 | -175.3 | -174.8 | 166.2 | 0 | 111 | I1829 K1842 E1843 E1844 L1849 K1850 | I1829-K1846 HydrophobicContact CD1-CD 4.21Å; I1829-K1846 HydrophobicContact CD1-CG 3.79Å; K1842-K1846 PolarHBondContact O-N 3.01Å; E1843-K1846 CarbonylContact O-C 3.59Å; E1843-K1846 WeakPolarHBondContact O-CB 3.41Å; E1843-K1846 PolarHBondContact O-N 2.87Å; E1843-K1846 VanDerWaalsContact O-N 3.12Å; E1843-K1846 WeakPolarHBondContact OE1-CE 3.45Å; E1843-K1846 IonicContact OE1-NZ 2.76Å; E1843-K1846 PolarHBondContact OE1-NZ 3.34Å; E1843-K1846 IonicContact OE2-NZ 3.93Å; E1844-K1846 VanDerWaalsContact C-N 3.32Å; K1846-L1849 PolarHBondContact O-N 3.09Å; K1846-K1850 WeakPolarHBondContact O-CB 3.45Å; K1846-K1850 WeakPolarHBondContact O-CG 3.47Å; K1846-K1850 PolarHBondContact O-N 3.15Å |
| 1847 | A | 86.7 | Confident | 84.3 | Confident | 54 Ų | 54 | 72.8 Ų | 72.8 | 45% | 0.446 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1843 E1844 H1845 L1849 K1850 L1851 | E1843-A1847 PolarHBondContact O-N 3.44Å; E1844-A1847 PolarHBondContact O-N 3.47Å; H1845-A1847 VanDerWaalsContact C-N 3.33Å; A1847-L1849 VanDerWaalsContact C-N 3.34Å; A1847-L1849 PolarHBondContact O-N 3.04Å; A1847-K1850 PolarHBondContact O-N 3.07Å; A1847-L1851 WeakPolarHBondContact O-CB 3.35Å; A1847-L1851 PolarHBondContact O-N 2.96Å |
| 1848 | M | 88.7 | Confident | 84.4 | Confident | 39 Ų | 39 | 71.8 Ų | 71.8 | 19% | 0.192 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 172.9 | -177.7 | 59 | 73.9 | 0 | 0 | 111.7 | V1774 P1775 L1780 E1844 H1845 L1851 W1852 | V1774-M1848 HydrophobicContact CG1-CB 3.97Å; V1774-M1848 HydrophobicContact CG1-CE 4.14Å; V1774-M1848 HydrophobicContact CG1-CG 4.2Å; P1775-M1848 WeakPolarHBondContact O-CE 3.41Å; L1780-M1848 HydrophobicContact CD2-CG 3.9Å; L1780-M1848 HydrophobicContact CD2-SD 4.45Å; E1844-M1848 PolarHBondContact O-N 2.93Å; H1845-M1848 PolarHBondContact O-N 3.27Å; M1848-L1851 PolarHBondContact O-N 3.44Å; M1848-W1852 VanDerWaalsContact O-CB 3.31Å; M1848-W1852 WeakPolarHBondContact O-CB 3.4Å; M1848-W1852 PolarHBondContact O-N 2.82Å |
| 1849 | L | 89.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.8 | -35.7 | 175.8 | -70.7 | 169.8 | 0 | 0 | 0 | 113 | L1810 A1813 A1814 L1817 V1825 I1829 H1845 K1846 A1847 W1852 E1853 | L1810-L1849 HydrophobicContact CD1-CD1 3.96Å; L1810-L1849 HydrophobicContact CD1-CD2 3.78Å; L1810-L1849 HydrophobicContact CD1-CG 3.56Å; A1813-L1849 HydrophobicContact CB-CD1 3.67Å; A1813-L1849 HydrophobicContact CB-CD2 3.66Å; A1813-L1849 HydrophobicContact CB-CG 4.33Å; A1814-L1849 HydrophobicContact CB-CD2 3.98Å; L1817-L1849 HydrophobicContact CD1-CB 4.25Å; L1817-L1849 HydrophobicContact CD1-CD2 3.99Å; V1825-L1849 HydrophobicContact CB-CB 4.47Å; V1825-L1849 HydrophobicContact CG1-CB 3.79Å; V1825-L1849 HydrophobicContact CG1-CD1 4.29Å; V1825-L1849 VanDerWaalsContact CG2-C 3.46Å; V1825-L1849 HydrophobicContact CG2-CB 3.82Å; V1825-L1849 WeakPolarHBondContact CG2-O 3.37Å; I1829-L1849 HydrophobicContact CD1-CD1 4.44Å; I1829-L1849 HydrophobicContact CG1-CD1 4.34Å; H1845-L1849 WeakPolarHBondContact O-CG 3.38Å; H1845-L1849 PolarHBondContact O-N 3.46Å; K1846-L1849 PolarHBondContact O-N 3.09Å; A1847-L1849 VanDerWaalsContact C-N 3.34Å; A1847-L1849 PolarHBondContact O-N 3.04Å; L1849-W1852 CarbonylContact O-C 3.11Å; L1849-W1852 WeakPolarHBondContact O-CB 3.49Å; L1849-W1852 PolarHBondContact O-N 3.25Å; L1849-E1853 WeakPolarHBondContact O-CB 3.43Å; L1849-E1853 PolarHBondContact O-N 2.87Å |
| 1850 | K | 86.8 | Confident | 84.3 | Confident | 109 Ų | 109 | 73.8 Ų | 73.8 | 47% | 0.474 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67 | -39.5 | 173.7 | -78 | -178.6 | 176.4 | -175.7 | 0 | 111.5 | V1825 K1846 A1847 W1852 E1853 N1854 | V1825-K1850 HydrophobicContact CB-CG 4.33Å; V1825-K1850 HydrophobicContact CG1-CG 4.46Å; V1825-K1850 HydrophobicContact CG2-CB 4.47Å; V1825-K1850 HydrophobicContact CG2-CG 3.92Å; K1846-K1850 WeakPolarHBondContact O-CB 3.45Å; K1846-K1850 WeakPolarHBondContact O-CG 3.47Å; K1846-K1850 PolarHBondContact O-N 3.15Å; A1847-K1850 PolarHBondContact O-N 3.07Å; K1850-W1852 VanDerWaalsContact C-N 3.26Å; K1850-W1852 PolarHBondContact O-N 3.46Å; K1850-E1853 PolarHBondContact O-N 2.7Å; K1850-N1854 WeakPolarHBondContact O-CB 3.17Å; K1850-N1854 PolarHBondContact O-N 2.95Å; K1850-N1854 PolarHBondContact O-ND2 3.16Å |
| 1851 | L | 84.4 | Confident | 84.3 | Confident | 86 Ų | 86 | 73.5 Ų | 73.5 | 45% | 0.45 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.4 | -34 | 174.9 | -158.2 | 141.6 | 0 | 0 | 0 | 111.1 | A1847 M1848 | A1847-L1851 WeakPolarHBondContact O-CB 3.35Å; A1847-L1851 PolarHBondContact O-N 2.96Å; M1848-L1851 PolarHBondContact O-N 3.44Å |
| 1852 | W | 85.3 | Confident | 84.2 | Confident | 23 Ų | 23 | 78.1 Ų | 78.1 | 9% | 0.087 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.7 | -38 | 172.5 | -168.2 | -81.9 | 0 | 0 | 0 | 113.4 | E1777 L1780 R1781 V1784 A1814 C1818 M1848 L1849 K1850 | E1777-W1852 HydrophobicContact CG-CE3 4.3Å; E1777-W1852 HydrophobicContact CG-CZ3 4.1Å; L1780-W1852 HydrophobicContact CB-CZ3 4.22Å; L1780-W1852 HydrophobicContact CD2-CD2 4.22Å; L1780-W1852 HydrophobicContact CD2-CE3 3.63Å; L1780-W1852 HydrophobicContact CD2-CZ3 3.98Å; L1780-W1852 HydrophobicContact CG-CE3 4.07Å; L1780-W1852 HydrophobicContact CG-CH2 4.44Å; L1780-W1852 HydrophobicContact CG-CZ3 3.92Å; R1781-W1852 HydrophobicContact CB-CH2 3.77Å; R1781-W1852 HydrophobicContact CB-CZ3 4.08Å; R1781-W1852 HydrophobicContact CG-CH2 4.24Å; V1784-W1852 HydrophobicContact CB-CZ2 4.28Å; V1784-W1852 HydrophobicContact CG1-CZ2 4.19Å; V1784-W1852 HydrophobicContact CG2-CH2 4.48Å; V1784-W1852 HydrophobicContact CG2-CZ2 4.15Å; A1814-W1852 HydrophobicContact CB-CD2 4.12Å; A1814-W1852 HydrophobicContact CB-CG 4.27Å; A1814-W1852 PolarHBondContact O-NE1 3.13Å; A1814-W1852 VanDerWaalsContact O-NE1 3.13Å; C1818-W1852 HydrophobicContact CB-CZ2 4.4Å; M1848-W1852 VanDerWaalsContact O-CB 3.31Å; M1848-W1852 WeakPolarHBondContact O-CB 3.4Å; M1848-W1852 PolarHBondContact O-N 2.82Å; L1849-W1852 CarbonylContact O-C 3.11Å; L1849-W1852 WeakPolarHBondContact O-CB 3.49Å; L1849-W1852 PolarHBondContact O-N 3.25Å; K1850-W1852 VanDerWaalsContact C-N 3.26Å; K1850-W1852 PolarHBondContact O-N 3.46Å |
| 1853 | E | 83 | Confident | 84.1 | Confident | 70 Ų | 70 | 76.5 Ų | 76.5 | 33% | 0.327 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66 | -37.5 | 174.1 | 175.6 | -173.3 | -155.5 | 0 | 0 | 112.2 | T1824 V1825 L1849 K1850 R1855 | T1824-E1853 VanDerWaalsContact CA-OE1 3.3Å; T1824-E1853 WeakPolarHBondContact CA-OE1 3.46Å; V1825-E1853 HydrophobicContact CG2-CB 3.97Å; V1825-E1853 WeakPolarHBondContact CG2-OE2 3.31Å; L1849-E1853 WeakPolarHBondContact O-CB 3.43Å; L1849-E1853 PolarHBondContact O-N 2.87Å; K1850-E1853 PolarHBondContact O-N 2.7Å; E1853-R1855 PolarHBondContact O-N 3.05Å |
| 1854 | N | 78.4 | Confident | 84.1 | Confident | 138 Ų | 138 | 72.1 Ų | 72.1 | 74% | 0.738 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -12.5 | -179.4 | -73.7 | -19.3 | 0 | 0 | 0 | 114 | K1850 | K1850-N1854 WeakPolarHBondContact O-CB 3.17Å; K1850-N1854 PolarHBondContact O-N 2.95Å; K1850-N1854 PolarHBondContact O-ND2 3.16Å |
| 1855 | R | 63.6 | Low | 84.1 | Confident | 201 Ų | 201 | 70.3 Ų | 70.3 | 76% | 0.758 | 34% | 0.337 | S | S | * | . | trans | -101.3 | 0 | 178.1 | -76 | -170.9 | -179.8 | -166.4 | 7.5 | 110.3 | E1777 E1853 | E1777-R1855 IonicContact OE1-CZ 2.83Å; E1777-R1855 IonicContact OE1-NE 2.68Å; E1777-R1855 IonicContact OE1-NH1 2.88Å; E1777-R1855 PolarHBondContact OE1-NH1 3.42Å; E1777-R1855 IonicContact OE2-CZ 3.81Å; E1777-R1855 IonicContact OE2-NH1 3.4Å; E1777-R1855 PolarHBondContact OE2-NH1 2.86Å; E1777-R1855 IonicContact OE2-NH2 3.43Å; E1777-R1855 PolarHBondContact OE2-NH2 2.93Å; E1853-R1855 PolarHBondContact O-N 3.05Å |
Retrieved 1,855 of 1,855 residues in 2435.8 ms
(Link to these results)