| 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 | 25.5 | Very low | 37.8 | Very low | 236 Ų | 236 | 109.1 Ų | 109.1 | 100% | 1.163 | 57% | 0.574 | S | S | * | * | 0 | 38.3 | 0 | -71.9 | -168.4 | 117.6 | 0 | 0 | 111.5 | |||||
| 2 | T | 28.3 | Very low | 39.2 | Very low | 128 Ų | 128 | 104.1 Ų | 104.1 | 79% | 0.785 | 55% | 0.554 | S | S | * | * | trans | -131.2 | 38.9 | -175.7 | 46.4 | 0 | 0 | 0 | 0 | 111.2 | P4 | T2-P4 VanDerWaalsContact C-CD 3.46Š| ||
| 3 | Q | 34.9 | Very low | 40.5 | Very low | 149 Ų | 149 | 97.8 Ų | 97.8 | 70% | 0.696 | 52% | 0.522 | S | S | * | . | trans | -110.2 | 8.6 | 175.5 | -82.8 | -173.4 | -36.2 | 0 | 0 | 117.1 | ||||
| 4 | P | 35.8 | Very low | 42.2 | Very low | 71 Ų | 71 | 94.5 Ų | 94.5 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.3 | -27.3 | 172.4 | 28.5 | -29.7 | 0 | 0 | 0 | 113.3 | T2 E6 E7 E8 | T2-P4 VanDerWaalsContact C-CD 3.46Å; P4-E6 VanDerWaalsContact C-N 3.33Å; P4-E6 PolarHBondContact O-N 3.01Å; P4-E7 PolarHBondContact O-N 3.46Å; P4-E8 PolarHBondContact O-N 2.78Å |
| 5 | D | 38.7 | Very low | 43.7 | Very low | 117 Ų | 117 | 88.7 Ų | 88.7 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.9 | -28.8 | -173.5 | -58.2 | -24.6 | 0 | 0 | 0 | 113.5 | A9 | D5-A9 PolarHBondContact O-N 3.03Å |
| 6 | E | 35 | Very low | 45 | Very low | 137 Ų | 137 | 85.3 Ų | 85.3 | 64% | 0.64 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -77.7 | -39.7 | 179 | -75.3 | -176.3 | 163.5 | 0 | 0 | 112.8 | P4 E8 A9 D10 | P4-E6 VanDerWaalsContact C-N 3.33Å; P4-E6 PolarHBondContact O-N 3.01Å; E6-E8 VanDerWaalsContact C-N 3.34Å; E6-A9 PolarHBondContact O-N 3.43Å; E6-D10 PolarHBondContact O-N 3.08Å |
| 7 | E | 38.2 | Very low | 46.2 | Very low | 130 Ų | 130 | 84.4 Ų | 84.4 | 61% | 0.607 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -67.2 | -36.1 | 175 | -76.5 | -171.3 | 166.7 | 0 | 0 | 111.4 | P4 S11 R43 | P4-E7 PolarHBondContact O-N 3.46Å; E7-S11 VanDerWaalsContact O-CB 3.31Å; E7-S11 WeakPolarHBondContact O-CB 3.41Å; E7-S11 PolarHBondContact O-N 3.15Å; E7-S11 PolarHBondContact O-OG 2.78Å; E7-R43 IonicContact OE2-NH1 2.7Å |
| 8 | E | 40.4 | Very low | 47.5 | Very low | 88 Ų | 88 | 79.7 Ų | 79.7 | 41% | 0.411 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 176.9 | -78.3 | -170.4 | 173.1 | 0 | 0 | 111.9 | P4 E6 S11 S12 | P4-E8 PolarHBondContact O-N 2.78Å; E6-E8 VanDerWaalsContact C-N 3.34Å; E8-S11 PolarHBondContact O-N 2.94Å; E8-S11 PolarHBondContact O-OG 3.24Å; E8-S12 PolarHBondContact O-N 2.96Å |
| 9 | A | 42.3 | Very low | 48.9 | Very low | 30 Ų | 30 | 76.2 Ų | 76.2 | 25% | 0.248 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.9 | -50.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | D5 E6 S11 S12 T13 L1600 | D5-A9 PolarHBondContact O-N 3.03Å; E6-A9 PolarHBondContact O-N 3.43Å; A9-S11 VanDerWaalsContact C-N 3.28Å; A9-S11 PolarHBondContact O-N 2.75Å; A9-S12 WeakPolarHBondContact O-CB 3.25Å; A9-S12 PolarHBondContact O-N 3.11Å; A9-S12 VanDerWaalsContact O-N 3.13Å; A9-T13 PolarHBondContact O-N 3.03Å; A9-L1600 VanDerWaalsContact C-CD2 3.43Å; A9-L1600 HydrophobicContact CB-CD1 4.38Å; A9-L1600 HydrophobicContact CB-CD2 3.66Å; A9-L1600 WeakPolarHBondContact O-CD2 3.44Å |
| 10 | D | 44.2 | Very low | 50 | Low | 76 Ų | 76 | 74.4 Ų | 74.4 | 41% | 0.406 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.1 | -36.4 | -179.1 | -124 | 11.4 | 0 | 0 | 0 | 111.5 | E6 T13 R14 | E6-D10 PolarHBondContact O-N 3.08Å; D10-T13 PolarHBondContact O-N 3.08Å; D10-T13 PolarHBondContact O-OG1 3.03Å; D10-R14 PolarHBondContact O-N 3.32Å |
| 11 | S | 52 | Low | 51 | Low | 38 Ų | 38 | 72.3 Ų | 72.3 | 27% | 0.266 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 174.2 | 79.2 | 0 | 0 | 0 | 0 | 112.3 | E7 E8 A9 T13 R14 I15 | E7-S11 VanDerWaalsContact O-CB 3.31Å; E7-S11 WeakPolarHBondContact O-CB 3.41Å; E7-S11 PolarHBondContact O-N 3.15Å; E7-S11 PolarHBondContact O-OG 2.78Å; E8-S11 PolarHBondContact O-N 2.94Å; E8-S11 PolarHBondContact O-OG 3.24Å; A9-S11 VanDerWaalsContact C-N 3.28Å; A9-S11 PolarHBondContact O-N 2.75Å; S11-T13 PolarHBondContact O-N 2.7Å; S11-R14 PolarHBondContact O-N 2.79Å; S11-I15 VanDerWaalsContact O-CD1 3.24Å; S11-I15 WeakPolarHBondContact O-CD1 3.42Å; S11-I15 WeakPolarHBondContact O-CG1 3.46Å; S11-I15 PolarHBondContact O-N 2.74Å |
| 12 | S | 54.6 | Low | 53.4 | Low | 49 Ų | 49 | 61 Ų | 61 | 34% | 0.343 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56.6 | -50.3 | 176.1 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | E8 A9 R14 I15 E16 L1600 | E8-S12 PolarHBondContact O-N 2.96Å; A9-S12 WeakPolarHBondContact O-CB 3.25Å; A9-S12 PolarHBondContact O-N 3.11Å; A9-S12 VanDerWaalsContact O-N 3.13Å; S12-R14 VanDerWaalsContact C-N 3.28Å; S12-R14 PolarHBondContact O-N 2.79Å; S12-I15 PolarHBondContact O-N 3.01Å; S12-E16 PolarHBondContact O-N 3.29Å; S12-L1600 PolarHBondContact OG-O 2.93Å |
| 13 | T | 56.7 | Low | 55.6 | Low | 22 Ų | 22 | 57.7 Ų | 57.7 | 14% | 0.135 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.9 | -41.7 | -179.8 | 71.7 | 0 | 0 | 0 | 0 | 112 | A9 D10 S11 K17 L1600 | A9-T13 PolarHBondContact O-N 3.03Å; D10-T13 PolarHBondContact O-N 3.08Å; D10-T13 PolarHBondContact O-OG1 3.03Å; S11-T13 PolarHBondContact O-N 2.7Å; T13-K17 WeakPolarHBondContact O-CG 3.34Å; T13-K17 PolarHBondContact O-N 2.95Å; T13-L1600 HydrophobicContact CG2-CB 4.49Å; T13-L1600 HydrophobicContact CG2-CD2 3.42Å; T13-L1600 VanDerWaalsContact CG2-CD2 3.42Å; T13-L1600 HydrophobicContact CG2-CG 4.04Å |
| 14 | R | 64.1 | Low | 57.2 | Low | 52 Ų | 52 | 51.7 Ų | 51.7 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.6 | -44.2 | -177.8 | -177.2 | 178.8 | 178.1 | -155.7 | -7.8 | 109.5 | D10 S11 S12 E16 K17 L18 N36 E1043 N1044 | D10-R14 PolarHBondContact O-N 3.32Å; S11-R14 PolarHBondContact O-N 2.79Å; S12-R14 VanDerWaalsContact C-N 3.28Å; S12-R14 PolarHBondContact O-N 2.79Å; R14-E16 VanDerWaalsContact C-N 3.35Å; R14-E16 PolarHBondContact O-N 3.43Å; R14-K17 PolarHBondContact O-N 2.99Å; R14-L18 HydrophobicContact CG-CD1 4.11Å; R14-L18 VanDerWaalsContact O-CG 3.3Å; R14-L18 WeakPolarHBondContact O-CG 3.32Å; R14-L18 PolarHBondContact O-N 2.95Å; R14-N36 PolarHBondContact NH2-OD1 3.16Å; R14-E1043 PolarHBondContact NH2-O 3.49Å; R14-N1044 PolarHBondContact NH2-OD1 2.97Å |
| 15 | I | 65.4 | Low | 58.6 | Low | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | -178.4 | -63.4 | 157.8 | 0 | 0 | 0 | 110.8 | S11 S12 K17 L18 V19 L37 A40 L51 | S11-I15 VanDerWaalsContact O-CD1 3.24Å; S11-I15 WeakPolarHBondContact O-CD1 3.42Å; S11-I15 WeakPolarHBondContact O-CG1 3.46Å; S11-I15 PolarHBondContact O-N 2.74Å; S12-I15 PolarHBondContact O-N 3.01Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.32Å; I15-L18 PolarHBondContact O-N 3.02Å; I15-L18 VanDerWaalsContact O-N 3.16Å; I15-V19 HydrophobicContact CG2-CG2 4.22Å; I15-V19 VanDerWaalsContact O-CG2 3.32Å; I15-V19 WeakPolarHBondContact O-CG2 3.2Å; I15-V19 PolarHBondContact O-N 3Å; I15-L37 HydrophobicContact CG2-CD2 3.75Å; I15-A40 HydrophobicContact CD1-CB 4.18Å; I15-A40 HydrophobicContact CG1-CB 3.86Å; I15-L51 HydrophobicContact CB-CD2 4.08Å; I15-L51 HydrophobicContact CD1-CD1 3.92Å; I15-L51 HydrophobicContact CD1-CD2 4.04Å; I15-L51 HydrophobicContact CG2-CD1 4.18Å; I15-L51 HydrophobicContact CG2-CD2 3.16Å; I15-L51 HydrophobicContact CG2-CG 4.23Å |
| 16 | E | 63.4 | Low | 59.9 | Low | 35 Ų | 35 | 52.9 Ų | 52.9 | 16% | 0.164 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 176.7 | -70.2 | -161.7 | 137.2 | 0 | 0 | 113.5 | S12 R14 L18 V19 A20 L1600 S1601 M1602 | S12-E16 PolarHBondContact O-N 3.29Å; R14-E16 VanDerWaalsContact C-N 3.35Å; R14-E16 PolarHBondContact O-N 3.43Å; E16-L18 VanDerWaalsContact C-N 3.29Å; E16-L18 PolarHBondContact O-N 3.04Å; E16-V19 PolarHBondContact O-N 2.85Å; E16-A20 PolarHBondContact O-N 2.71Å; E16-L1600 VanDerWaalsContact CD-O 3.26Å; E16-L1600 VanDerWaalsContact OE2-C 3.29Å; E16-L1600 VanDerWaalsContact OE2-O 3.05Å; E16-S1601 VanDerWaalsContact CD-CA 3.42Å; E16-S1601 WeakPolarHBondContact OE1-CA 3.44Å; E16-S1601 WeakPolarHBondContact OE2-CA 3.37Å; E16-S1601 PolarHBondContact OE2-N 3.03Å; E16-M1602 PolarHBondContact OE2-N 3.26Å |
| 17 | K | 65.3 | Low | 61.7 | Low | 69 Ų | 69 | 49.7 Ų | 49.7 | 30% | 0.3 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 175.8 | -70.1 | 171 | -176.7 | 174.3 | 0 | 111 | T13 R14 I15 A20 L21 P1041 | T13-K17 WeakPolarHBondContact O-CG 3.34Å; T13-K17 PolarHBondContact O-N 2.95Å; R14-K17 PolarHBondContact O-N 2.99Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.32Å; K17-A20 PolarHBondContact O-N 3.13Å; K17-L21 VanDerWaalsContact O-CG 3.32Å; K17-L21 WeakPolarHBondContact O-CG 3.4Å; K17-L21 PolarHBondContact O-N 3.43Å; K17-L21 VanDerWaalsContact O-N 3.07Å; K17-P1041 HydrophobicContact CB-CB 3.81Å; K17-P1041 HydrophobicContact CB-CG 4.15Å; K17-P1041 HydrophobicContact CD-CB 4.18Å; K17-P1041 HydrophobicContact CD-CG 3.95Å; K17-P1041 HydrophobicContact CG-CG 4.48Å |
| 18 | L | 69.6 | Low | 63.2 | Low | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 175.4 | -65.4 | 169.4 | 0 | 0 | 0 | 111.9 | R14 I15 E16 A20 L21 L22 A33 N36 L37 | R14-L18 HydrophobicContact CG-CD1 4.11Å; R14-L18 VanDerWaalsContact O-CG 3.3Å; R14-L18 WeakPolarHBondContact O-CG 3.32Å; R14-L18 PolarHBondContact O-N 2.95Å; I15-L18 PolarHBondContact O-N 3.02Å; I15-L18 VanDerWaalsContact O-N 3.16Å; E16-L18 VanDerWaalsContact C-N 3.29Å; E16-L18 PolarHBondContact O-N 3.04Å; L18-A20 VanDerWaalsContact C-N 3.31Å; L18-A20 PolarHBondContact O-N 3.4Å; L18-L21 HydrophobicContact CD2-CD1 4.47Å; L18-L21 WeakPolarHBondContact O-CB 3.49Å; L18-L21 PolarHBondContact O-N 3.04Å; L18-L21 VanDerWaalsContact O-N 3.11Å; L18-L22 PolarHBondContact O-N 3.27Å; L18-A33 HydrophobicContact CD2-CB 4.38Å; L18-N36 HydrophobicContact CD1-CB 3.89Å; L18-N36 HydrophobicContact CD2-CB 3.61Å; L18-N36 HydrophobicContact CG-CB 4.42Å; L18-L37 HydrophobicContact CB-CD1 4.07Å; L18-L37 HydrophobicContact CB-CD2 3.91Å; L18-L37 HydrophobicContact CB-CG 3.69Å; L18-L37 HydrophobicContact CD1-CD2 4.28Å; L18-L37 HydrophobicContact CD1-CG 4.09Å; L18-L37 HydrophobicContact CG-CG 4.49Å |
| 19 | V | 74.6 | Confident | 64.6 | Low | 14 Ų | 14 | 44 Ų | 44 | 9% | 0.085 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -38.3 | 175.2 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | I15 E16 L21 L22 L37 R54 V55 L58 | I15-V19 HydrophobicContact CG2-CG2 4.22Å; I15-V19 VanDerWaalsContact O-CG2 3.32Å; I15-V19 WeakPolarHBondContact O-CG2 3.2Å; I15-V19 PolarHBondContact O-N 3Å; E16-V19 PolarHBondContact O-N 2.85Å; V19-L21 VanDerWaalsContact C-N 3.35Å; V19-L22 WeakPolarHBondContact O-CB 3.22Å; V19-L22 PolarHBondContact O-N 2.94Å; V19-L37 HydrophobicContact CG2-CD2 4.28Å; V19-R54 HydrophobicContact CG1-CG 4.39Å; V19-V55 HydrophobicContact CG2-CG2 4.09Å; V19-L58 HydrophobicContact CG1-CD1 4.05Å |
| 20 | A | 70 | Confident | 66.2 | Low | 39 Ų | 39 | 44.7 Ų | 44.7 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.2 | -37.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E16 K17 L18 L22 K23 | E16-A20 PolarHBondContact O-N 2.71Å; K17-A20 PolarHBondContact O-N 3.13Å; L18-A20 VanDerWaalsContact C-N 3.31Å; L18-A20 PolarHBondContact O-N 3.4Å; A20-L22 PolarHBondContact O-N 2.87Å; A20-K23 WeakPolarHBondContact O-CB 3.47Å; A20-K23 PolarHBondContact O-N 3.47Å; A20-K23 VanDerWaalsContact O-N 3.08Å |
| 21 | L | 72.5 | Confident | 67.6 | Low | 31 Ų | 31 | 47.1 Ų | 47.1 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67 | -22.8 | 176.5 | -71.4 | 169 | 0 | 0 | 0 | 113 | K17 L18 V19 K23 S24 R30 A33 P1041 L1042 | K17-L21 VanDerWaalsContact O-CG 3.32Å; K17-L21 WeakPolarHBondContact O-CG 3.4Å; K17-L21 PolarHBondContact O-N 3.43Å; K17-L21 VanDerWaalsContact O-N 3.07Å; L18-L21 HydrophobicContact CD2-CD1 4.47Å; L18-L21 WeakPolarHBondContact O-CB 3.49Å; L18-L21 PolarHBondContact O-N 3.04Å; L18-L21 VanDerWaalsContact O-N 3.11Å; V19-L21 VanDerWaalsContact C-N 3.35Å; L21-K23 PolarHBondContact O-N 3.47Å; L21-S24 VanDerWaalsContact O-CB 3.29Å; L21-S24 WeakPolarHBondContact O-CB 3.4Å; L21-S24 PolarHBondContact O-N 3.44Å; L21-R30 WeakPolarHBondContact O-CG 3.36Å; L21-A33 HydrophobicContact CB-CB 3.71Å; L21-P1041 HydrophobicContact CD1-CB 4.31Å; L21-L1042 HydrophobicContact CD1-CD2 3.72Å; L21-L1042 HydrophobicContact CD1-CG 4.15Å |
| 22 | L | 75.7 | Confident | 68.4 | Low | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.9 | 170.7 | -61.4 | 177.6 | 0 | 0 | 0 | 113 | L18 V19 A20 R30 A33 V34 L37 L58 A73 | L18-L22 PolarHBondContact O-N 3.27Å; V19-L22 WeakPolarHBondContact O-CB 3.22Å; V19-L22 PolarHBondContact O-N 2.94Å; A20-L22 PolarHBondContact O-N 2.87Å; L22-R30 WeakPolarHBondContact O-CD 3.03Å; L22-A33 HydrophobicContact CD2-CB 4.01Å; L22-V34 HydrophobicContact CD2-CG2 3.54Å; L22-L37 HydrophobicContact CD1-CD1 3.73Å; L22-L37 HydrophobicContact CD2-CD1 4.16Å; L22-L37 HydrophobicContact CG-CD1 4.06Å; L22-L58 HydrophobicContact CB-CD1 3.95Å; L22-L58 HydrophobicContact CD1-CD1 3.77Å; L22-A73 HydrophobicContact CD1-CB 4.01Å; L22-A73 HydrophobicContact CD2-CB 4.48Å |
| 23 | K | 73.2 | Confident | 69.5 | Low | 57 Ų | 57 | 45.4 Ų | 45.4 | 25% | 0.248 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 0.1 | 174.9 | -58 | 179.7 | -177.1 | 176 | 0 | 113.3 | A20 L21 L58 D1605 | A20-K23 WeakPolarHBondContact O-CB 3.47Å; A20-K23 PolarHBondContact O-N 3.47Å; A20-K23 VanDerWaalsContact O-N 3.08Å; L21-K23 PolarHBondContact O-N 3.47Å; K23-L58 HydrophobicContact CD-CD2 3.9Å; K23-L58 HydrophobicContact CG-CD2 3.5Å; K23-L58 VanDerWaalsContact CG-CD2 3.5Å; K23-D1605 IonicContact NZ-OD1 2.58Å; K23-D1605 PolarHBondContact NZ-OD1 3.42Å |
| 24 | S | 69.2 | Low | 70.4 | Confident | 24 Ų | 24 | 45 Ų | 45 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | trans | -68.6 | 149.8 | -175.1 | 125.5 | 0 | 0 | 0 | 0 | 113 | L21 S26 R30 | L21-S24 VanDerWaalsContact O-CB 3.29Å; L21-S24 WeakPolarHBondContact O-CB 3.4Å; L21-S24 PolarHBondContact O-N 3.44Å; S24-S26 VanDerWaalsContact C-N 3.31Å; S24-S26 PolarHBondContact OG-N 3.45Å; S24-S26 PolarHBondContact OG-O 3.41Å; S24-R30 WeakPolarHBondContact O-CD 3.15Å; S24-R30 PolarHBondContact O-NE 3.12Å | ||
| 25 | K | 64.9 | Low | 70.8 | Confident | 169 Ų | 169 | 44.3 Ų | 44.3 | 74% | 0.735 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -70.1 | -27.9 | 171.9 | -76 | -175 | 177.9 | -173.2 | 0 | 112.6 | P27 | K25-P27 WeakPolarHBondContact O-CD 3.49Š|
| 26 | S | 67.5 | Low | 71.1 | Confident | 44 Ų | 44 | 44.2 Ų | 44.2 | 31% | 0.308 | 23% | 0.233 | S | C | . | . | trans | -74.2 | 120.4 | 179 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | S24 V28 L29 R30 | S24-S26 VanDerWaalsContact C-N 3.31Å; S24-S26 PolarHBondContact OG-N 3.45Å; S24-S26 PolarHBondContact OG-O 3.41Å; S26-V28 VanDerWaalsContact C-N 3.27Å; S26-V28 PolarHBondContact O-N 2.93Å; S26-L29 PolarHBondContact O-N 3.49Å; S26-L29 PolarHBondContact OG-N 3.36Å; S26-R30 PolarHBondContact O-N 2.97Å | ||
| 27 | P | 71.1 | Confident | 71.6 | Confident | 70 Ų | 70 | 42.6 Ų | 42.6 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.5 | -37.7 | 174.8 | 23.5 | -30.1 | 0 | 0 | 0 | 111.5 | K25 L29 R30 E31 | K25-P27 WeakPolarHBondContact O-CD 3.49Å; P27-L29 PolarHBondContact O-N 3.23Å; P27-R30 WeakPolarHBondContact O-CB 3.32Å; P27-R30 PolarHBondContact O-N 3.34Å; P27-R30 VanDerWaalsContact O-N 3.1Å; P27-E31 PolarHBondContact O-N 3.19Å |
| 28 | V | 70.6 | Confident | 71.7 | Confident | 57 Ų | 57 | 40.8 Ų | 40.8 | 35% | 0.345 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.2 | -43.3 | 179.4 | -177.1 | 0 | 0 | 0 | 0 | 112 | S26 R30 E31 L32 P1001 | S26-V28 VanDerWaalsContact C-N 3.27Å; S26-V28 PolarHBondContact O-N 2.93Å; V28-R30 VanDerWaalsContact C-N 3.3Å; V28-R30 PolarHBondContact O-N 2.75Å; V28-E31 PolarHBondContact O-N 2.92Å; V28-L32 HydrophobicContact CG1-CD1 4Å; V28-L32 WeakPolarHBondContact O-CB 3.33Å; V28-L32 WeakPolarHBondContact O-CG 3.3Å; V28-L32 PolarHBondContact O-N 2.78Å; V28-P1001 HydrophobicContact CG1-CG 4.06Å |
| 29 | L | 70.5 | Confident | 71.4 | Confident | 40 Ų | 40 | 42.6 Ų | 42.6 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.2 | -33.5 | 177.2 | -67.5 | 178.4 | 0 | 0 | 0 | 112 | S26 P27 A33 P1001 L1042 | S26-L29 PolarHBondContact O-N 3.49Å; S26-L29 PolarHBondContact OG-N 3.36Å; P27-L29 PolarHBondContact O-N 3.23Å; L29-A33 VanDerWaalsContact O-CB 3.23Å; L29-A33 WeakPolarHBondContact O-CB 3.23Å; L29-A33 PolarHBondContact O-N 3.38Å; L29-P1001 HydrophobicContact CD2-CB 4.25Å; L29-L1042 HydrophobicContact CD2-CD1 3.61Å |
| 30 | R | 75.3 | Confident | 70.9 | Confident | 45 Ų | 45 | 42.5 Ų | 42.5 | 17% | 0.17 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.9 | -46.1 | 176.4 | -72.1 | -174 | -75.6 | 126.8 | -4.3 | 110.7 | L21 L22 S24 S26 P27 V28 A33 V34 G65 S69 | L21-R30 WeakPolarHBondContact O-CG 3.36Å; L22-R30 WeakPolarHBondContact O-CD 3.03Å; S24-R30 WeakPolarHBondContact O-CD 3.15Å; S24-R30 PolarHBondContact O-NE 3.12Å; S26-R30 PolarHBondContact O-N 2.97Å; P27-R30 WeakPolarHBondContact O-CB 3.32Å; P27-R30 PolarHBondContact O-N 3.34Å; P27-R30 VanDerWaalsContact O-N 3.1Å; V28-R30 VanDerWaalsContact C-N 3.3Å; V28-R30 PolarHBondContact O-N 2.75Å; R30-A33 PolarHBondContact O-N 3.39Å; R30-V34 VanDerWaalsContact O-CG2 3.3Å; R30-V34 WeakPolarHBondContact O-CG2 3.27Å; R30-V34 PolarHBondContact O-N 2.89Å; R30-G65 VanDerWaalsContact NH1-C 3.25Å; R30-G65 VanDerWaalsContact NH1-CA 3.27Å; R30-G65 PolarHBondContact NH1-O 3.4Å; R30-S69 WeakPolarHBondContact CD-OG 3.39Å; R30-S69 PolarHBondContact NH1-OG 3.24Å; R30-S69 VanDerWaalsContact NH1-OG 3.1Å |
| 31 | E | 73.1 | Confident | 70.1 | Confident | 127 Ų | 127 | 45.2 Ų | 45.2 | 59% | 0.593 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.7 | -46.8 | 176.2 | -75 | 176.2 | 179.5 | 0 | 0 | 112.3 | P27 V28 A33 V34 S35 | P27-E31 PolarHBondContact O-N 3.19Å; V28-E31 PolarHBondContact O-N 2.92Å; E31-A33 VanDerWaalsContact C-N 3.29Å; E31-A33 PolarHBondContact O-N 3.44Å; E31-V34 PolarHBondContact O-N 3.29Å; E31-S35 PolarHBondContact O-N 3.02Å |
| 32 | L | 68.6 | Low | 69.6 | Low | 52 Ų | 52 | 44.7 Ų | 44.7 | 27% | 0.272 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.7 | -34.7 | 175.7 | -72.2 | 167.3 | 0 | 0 | 0 | 112.2 | V28 N36 P1001 L1042 | V28-L32 HydrophobicContact CG1-CD1 4Å; V28-L32 WeakPolarHBondContact O-CB 3.33Å; V28-L32 WeakPolarHBondContact O-CG 3.3Å; V28-L32 PolarHBondContact O-N 2.78Å; L32-N36 VanDerWaalsContact O-CB 3.26Å; L32-N36 WeakPolarHBondContact O-CB 3.38Å; L32-N36 PolarHBondContact O-N 2.84Å; L32-N36 PolarHBondContact O-ND2 3.39Å; L32-P1001 HydrophobicContact CD1-CB 3.84Å; L32-L1042 HydrophobicContact CB-CD2 3.85Å; L32-L1042 HydrophobicContact CD1-CD1 4.5Å |
| 33 | A | 77.7 | Confident | 68.9 | Low | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.5 | -41 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | L18 L21 L22 L29 R30 E31 N36 L37 | L18-A33 HydrophobicContact CD2-CB 4.38Å; L21-A33 HydrophobicContact CB-CB 3.71Å; L22-A33 HydrophobicContact CD2-CB 4.01Å; L29-A33 VanDerWaalsContact O-CB 3.23Å; L29-A33 WeakPolarHBondContact O-CB 3.23Å; L29-A33 PolarHBondContact O-N 3.38Å; R30-A33 PolarHBondContact O-N 3.39Å; E31-A33 VanDerWaalsContact C-N 3.29Å; E31-A33 PolarHBondContact O-N 3.44Å; A33-N36 PolarHBondContact O-N 3.3Å; A33-L37 WeakPolarHBondContact O-CB 3.48Å; A33-L37 WeakPolarHBondContact O-CD1 3.37Å; A33-L37 WeakPolarHBondContact O-CG 3.3Å; A33-L37 PolarHBondContact O-N 3.11Å |
| 34 | V | 76.9 | Confident | 68.7 | Low | 13 Ų | 13 | 55.5 Ų | 55.5 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60 | -51.4 | 174.2 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | L22 R30 E31 N36 L37 S38 S69 Q72 A73 | L22-V34 HydrophobicContact CD2-CG2 3.54Å; R30-V34 VanDerWaalsContact O-CG2 3.3Å; R30-V34 WeakPolarHBondContact O-CG2 3.27Å; R30-V34 PolarHBondContact O-N 2.89Å; E31-V34 PolarHBondContact O-N 3.29Å; V34-N36 PolarHBondContact O-N 3.33Å; V34-L37 PolarHBondContact O-N 3.38Å; V34-S38 PolarHBondContact O-N 3.17Å; V34-S69 WeakPolarHBondContact CG2-O 3.31Å; V34-Q72 HydrophobicContact CG1-CB 3.88Å; V34-Q72 HydrophobicContact CG2-CB 4.35Å; V34-A73 HydrophobicContact CG2-CB 4.27Å |
| 35 | S | 71.9 | Confident | 68.9 | Low | 38 Ų | 38 | 55.1 Ų | 55.1 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.7 | -48 | 177.5 | 161.2 | 0 | 0 | 0 | 0 | 111.3 | E31 L37 S38 | E31-S35 PolarHBondContact O-N 3.02Å; S35-L37 PolarHBondContact O-N 3.48Å; S35-S38 PolarHBondContact O-N 3.34Å; S35-S38 PolarHBondContact O-OG 2.81Å |
| 36 | N | 71 | Confident | 69.3 | Low | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.1 | -35 | 179 | -83.5 | -56.4 | 0 | 0 | 0 | 113.8 | R14 L18 L32 A33 V34 S38 T39 A40 L1042 N1044 | R14-N36 PolarHBondContact NH2-OD1 3.16Å; L18-N36 HydrophobicContact CD1-CB 3.89Å; L18-N36 HydrophobicContact CD2-CB 3.61Å; L18-N36 HydrophobicContact CG-CB 4.42Å; L32-N36 VanDerWaalsContact O-CB 3.26Å; L32-N36 WeakPolarHBondContact O-CB 3.38Å; L32-N36 PolarHBondContact O-N 2.84Å; L32-N36 PolarHBondContact O-ND2 3.39Å; A33-N36 PolarHBondContact O-N 3.3Å; V34-N36 PolarHBondContact O-N 3.33Å; N36-S38 VanDerWaalsContact C-N 3.29Å; N36-S38 PolarHBondContact O-N 3.09Å; N36-T39 PolarHBondContact O-N 3.12Å; N36-T39 PolarHBondContact O-OG1 3.39Å; N36-A40 PolarHBondContact O-N 3.47Å; N36-L1042 PolarHBondContact ND2-O 3.13Å; N36-L1042 PolarHBondContact OD1-O 2.86Å; N36-N1044 WeakPolarHBondContact OD1-CB 3.36Å; N36-N1044 PolarHBondContact OD1-ND2 3.47Å; N36-N1044 VanDerWaalsContact OD1-ND2 3.1Å; N36-N1044 PolarHBondContact OD1-OD1 3.32Å |
| 37 | L | 74.3 | Confident | 69.5 | Low | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -36.5 | 178.1 | -87.4 | 158.8 | 0 | 0 | 0 | 112.2 | I15 L18 V19 L22 A33 V34 S35 T39 A40 A73 | I15-L37 HydrophobicContact CG2-CD2 3.75Å; L18-L37 HydrophobicContact CB-CD1 4.07Å; L18-L37 HydrophobicContact CB-CD2 3.91Å; L18-L37 HydrophobicContact CB-CG 3.69Å; L18-L37 HydrophobicContact CD1-CD2 4.28Å; L18-L37 HydrophobicContact CD1-CG 4.09Å; L18-L37 HydrophobicContact CG-CG 4.49Å; V19-L37 HydrophobicContact CG2-CD2 4.28Å; L22-L37 HydrophobicContact CD1-CD1 3.73Å; L22-L37 HydrophobicContact CD2-CD1 4.16Å; L22-L37 HydrophobicContact CG-CD1 4.06Å; A33-L37 WeakPolarHBondContact O-CB 3.48Å; A33-L37 WeakPolarHBondContact O-CD1 3.37Å; A33-L37 WeakPolarHBondContact O-CG 3.3Å; A33-L37 PolarHBondContact O-N 3.11Å; V34-L37 PolarHBondContact O-N 3.38Å; S35-L37 PolarHBondContact O-N 3.48Å; L37-T39 PolarHBondContact O-N 3.36Å; L37-A40 PolarHBondContact O-N 3.38Å; L37-A73 HydrophobicContact CD1-CB 4.03Å |
| 38 | S | 67.2 | Low | 69.9 | Low | 31 Ų | 31 | 46.5 Ų | 46.5 | 22% | 0.217 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62 | -31.2 | 177.3 | 77.7 | 0 | 0 | 0 | 0 | 112.8 | V34 S35 N36 | V34-S38 PolarHBondContact O-N 3.17Å; S35-S38 PolarHBondContact O-N 3.34Å; S35-S38 PolarHBondContact O-OG 2.81Å; N36-S38 VanDerWaalsContact C-N 3.29Å; N36-S38 PolarHBondContact O-N 3.09Å |
| 39 | T | 64.1 | Low | 70.3 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 23% | 0.233 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -9.1 | -178.1 | 61.2 | 0 | 0 | 0 | 0 | 114.4 | N36 L37 C41 N1044 | N36-T39 PolarHBondContact O-N 3.12Å; N36-T39 PolarHBondContact O-OG1 3.39Å; L37-T39 PolarHBondContact O-N 3.36Å; T39-C41 PolarHBondContact O-N 3.17Å; T39-C41 VanDerWaalsContact O-N 3.14Å; T39-N1044 PolarHBondContact OG1-ND2 3.29Å; T39-N1044 VanDerWaalsContact OG1-ND2 3.1Å; T39-N1044 PolarHBondContact OG1-OD1 3.39Å |
| 40 | A | 63 | Low | 70.5 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 10% | 0.099 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -66.7 | 114.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | I15 N36 L37 V42 | I15-A40 HydrophobicContact CD1-CB 4.18Å; I15-A40 HydrophobicContact CG1-CB 3.86Å; N36-A40 PolarHBondContact O-N 3.47Å; L37-A40 PolarHBondContact O-N 3.38Å; A40-V42 WeakPolarHBondContact O-CG2 3.44Å; A40-V42 PolarHBondContact O-N 3.36Å |
| 41 | C | 53.9 | Low | 70.6 | Confident | 95 Ų | 95 | 49.1 Ų | 49.1 | 64% | 0.642 | 26% | 0.259 | S | S | * | . | trans | -59.2 | 95.6 | -177.3 | -88.3 | 0 | 0 | 0 | 0 | 112.2 | T39 R43 | T39-C41 PolarHBondContact O-N 3.17Å; T39-C41 VanDerWaalsContact O-N 3.14Å; C41-R43 PolarHBondContact O-N 2.95Å | ||
| 42 | V | 61.3 | Low | 71 | Confident | 20 Ų | 20 | 43.1 Ų | 43.1 | 12% | 0.121 | 23% | 0.231 | C | C | . | . | trans | -85.6 | 85.9 | 169.7 | -171.4 | 0 | 0 | 0 | 0 | 108.6 | A40 V47 L48 L51 L77 F196 | A40-V42 WeakPolarHBondContact O-CG2 3.44Å; A40-V42 PolarHBondContact O-N 3.36Å; V42-V47 HydrophobicContact CG1-CB 4.22Å; V42-V47 HydrophobicContact CG1-CG1 4.29Å; V42-L48 HydrophobicContact CG1-CB 3.73Å; V42-L51 HydrophobicContact CG2-CD1 3.81Å; V42-L77 HydrophobicContact CG2-CD2 4.47Å; V42-F196 HydrophobicContact CG1-CE1 4.17Å | ||
| 43 | R | 61.6 | Low | 71.5 | Confident | 188 Ų | 188 | 43.7 Ų | 43.7 | 71% | 0.709 | 24% | 0.237 | S | C | * | . | trans | -80.7 | -21.4 | 178.2 | -69.7 | -174.2 | 179.8 | 160.3 | 4 | 113.5 | E7 C41 | E7-R43 IonicContact OE2-NH1 2.7Å; C41-R43 PolarHBondContact O-N 2.95Å | ||
| 44 | H | 69.9 | Low | 71.4 | Confident | 97 Ų | 97 | 46.9 Ų | 46.9 | 45% | 0.449 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -121.9 | 137.1 | -174.2 | -145.5 | -88 | 0 | 0 | 0 | 112.4 | T46 V47 L48 | H44-T46 VanDerWaalsContact C-N 3.26Å; H44-T46 PolarHBondContact ND1-OG1 2.83Å; H44-T46 PolarHBondContact O-N 3.29Å; H44-V47 HydrophobicContact CB-CG2 4.23Å; H44-V47 WeakPolarHBondContact O-CB 3.39Å; H44-V47 PolarHBondContact O-N 2.97Å; H44-V47 VanDerWaalsContact O-N 3.14Å; H44-L48 PolarHBondContact O-N 3.44Å |
| 45 | P | 71.9 | Confident | 71.5 | Confident | 16 Ų | 16 | 46.6 Ų | 46.6 | 10% | 0.104 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.8 | -29.9 | 179.3 | -27.2 | 35.9 | 0 | 0 | 0 | 114.7 | L48 N49 D194 F196 V199 | P45-L48 WeakPolarHBondContact O-CB 3.14Å; P45-L48 PolarHBondContact O-N 3.32Å; P45-N49 PolarHBondContact O-N 2.69Å; P45-D194 WeakPolarHBondContact CB-O 3.4Å; P45-D194 WeakPolarHBondContact CG-O 3.4Å; P45-F196 HydrophobicContact CB-CD1 4.46Å; P45-F196 HydrophobicContact CG-CD1 4.28Å; P45-F196 HydrophobicContact CG-CD2 3.79Å; P45-F196 HydrophobicContact CG-CE1 4.31Å; P45-F196 HydrophobicContact CG-CE2 3.8Å; P45-F196 HydrophobicContact CG-CG 4.03Å; P45-F196 HydrophobicContact CG-CZ 4.08Å; P45-V199 HydrophobicContact CB-CG2 4.1Å |
| 46 | T | 73.7 | Confident | 72 | Confident | 80 Ų | 80 | 46.5 Ų | 46.5 | 49% | 0.491 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64 | -41.3 | 175.5 | 44.6 | 0 | 0 | 0 | 0 | 112 | H44 N49 M50 | H44-T46 VanDerWaalsContact C-N 3.26Å; H44-T46 PolarHBondContact ND1-OG1 2.83Å; H44-T46 PolarHBondContact O-N 3.29Å; T46-N49 PolarHBondContact O-N 2.96Å; T46-M50 PolarHBondContact O-N 3.1Å; T46-M50 VanDerWaalsContact O-N 3.09Å |
| 47 | V | 72.1 | Confident | 72.4 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 13% | 0.127 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 174.9 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | V42 H44 N49 M50 L51 | V42-V47 HydrophobicContact CG1-CB 4.22Å; V42-V47 HydrophobicContact CG1-CG1 4.29Å; H44-V47 HydrophobicContact CB-CG2 4.23Å; H44-V47 WeakPolarHBondContact O-CB 3.39Å; H44-V47 PolarHBondContact O-N 2.97Å; H44-V47 VanDerWaalsContact O-N 3.14Å; V47-N49 VanDerWaalsContact C-N 3.29Å; V47-N49 PolarHBondContact O-N 3.43Å; V47-M50 HydrophobicContact CG2-CE 4.48Å; V47-M50 PolarHBondContact O-N 2.93Å; V47-L51 HydrophobicContact CG1-CD1 4.26Å; V47-L51 HydrophobicContact CG1-CG 4.39Å; V47-L51 WeakPolarHBondContact O-CG 3.39Å; V47-L51 PolarHBondContact O-N 3.21Å |
| 48 | L | 78.7 | Confident | 72.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53 | -47.7 | 174.2 | 179.5 | 58.7 | 0 | 0 | 0 | 111.7 | V42 H44 P45 M50 L51 L52 L77 F196 V199 V200 | V42-L48 HydrophobicContact CG1-CB 3.73Å; H44-L48 PolarHBondContact O-N 3.44Å; P45-L48 WeakPolarHBondContact O-CB 3.14Å; P45-L48 PolarHBondContact O-N 3.32Å; L48-M50 PolarHBondContact O-N 3.33Å; L48-L51 PolarHBondContact O-N 3.44Å; L48-L52 HydrophobicContact CD1-CD1 4.02Å; L48-L52 HydrophobicContact CD1-CD2 4.39Å; L48-L52 HydrophobicContact CD1-CG 3.94Å; L48-L52 HydrophobicContact CD2-CD1 4.47Å; L48-L52 HydrophobicContact CG-CD1 3.9Å; L48-L52 HydrophobicContact CG-CG 4.24Å; L48-L52 WeakPolarHBondContact O-CG 3.45Å; L48-L52 PolarHBondContact O-N 3.24Å; L48-L77 HydrophobicContact CD1-CD2 3.03Å; L48-F196 HydrophobicContact CB-CD1 4.42Å; L48-F196 HydrophobicContact CB-CE1 4.44Å; L48-F196 HydrophobicContact CD2-CD1 3.7Å; L48-F196 HydrophobicContact CD2-CE1 4.42Å; L48-V199 HydrophobicContact CB-CG1 4.4Å; L48-V199 HydrophobicContact CD2-CG1 4.2Å; L48-V199 HydrophobicContact CG-CG1 4.03Å; L48-V200 HydrophobicContact CD2-CG2 3.92Å |
| 49 | N | 79.1 | Confident | 73.5 | Confident | 58 Ų | 58 | 50 Ų | 50 | 31% | 0.31 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | -178.8 | -171.5 | 46.5 | 0 | 0 | 0 | 112.3 | P45 T46 V47 L51 T53 V199 | P45-N49 PolarHBondContact O-N 2.69Å; T46-N49 PolarHBondContact O-N 2.96Å; V47-N49 VanDerWaalsContact C-N 3.29Å; V47-N49 PolarHBondContact O-N 3.43Å; N49-L51 VanDerWaalsContact C-N 3.34Å; N49-L51 PolarHBondContact O-N 3.22Å; N49-T53 WeakPolarHBondContact O-CB 3.4Å; N49-T53 PolarHBondContact O-N 2.93Å; N49-T53 PolarHBondContact O-OG1 3.21Å; N49-V199 HydrophobicContact CB-CG1 3.59Å; N49-V199 HydrophobicContact CB-CG2 4.25Å |
| 50 | M | 76.2 | Confident | 74.3 | Confident | 122 Ų | 122 | 52.3 Ų | 52.3 | 60% | 0.601 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.5 | -43.6 | 175.7 | -71.8 | -167.3 | -72.4 | 0 | 0 | 111.6 | T46 V47 L48 T53 R54 | T46-M50 PolarHBondContact O-N 3.1Å; T46-M50 VanDerWaalsContact O-N 3.09Å; V47-M50 HydrophobicContact CG2-CE 4.48Å; V47-M50 PolarHBondContact O-N 2.93Å; L48-M50 PolarHBondContact O-N 3.33Å; M50-T53 PolarHBondContact O-N 2.9Å; M50-R54 PolarHBondContact O-N 3.02Å |
| 51 | L | 76.6 | Confident | 74.9 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.5 | -46.5 | 179.6 | -63.3 | -174.8 | 0 | 0 | 0 | 112.6 | I15 V42 V47 L48 N49 T53 R54 V55 L77 | I15-L51 HydrophobicContact CB-CD2 4.08Å; I15-L51 HydrophobicContact CD1-CD1 3.92Å; I15-L51 HydrophobicContact CD1-CD2 4.04Å; I15-L51 HydrophobicContact CG2-CD1 4.18Å; I15-L51 HydrophobicContact CG2-CD2 3.16Å; I15-L51 HydrophobicContact CG2-CG 4.23Å; V42-L51 HydrophobicContact CG2-CD1 3.81Å; V47-L51 HydrophobicContact CG1-CD1 4.26Å; V47-L51 HydrophobicContact CG1-CG 4.39Å; V47-L51 WeakPolarHBondContact O-CG 3.39Å; V47-L51 PolarHBondContact O-N 3.21Å; L48-L51 PolarHBondContact O-N 3.44Å; N49-L51 VanDerWaalsContact C-N 3.34Å; N49-L51 PolarHBondContact O-N 3.22Å; L51-T53 VanDerWaalsContact C-N 3.31Å; L51-T53 PolarHBondContact O-N 3.01Å; L51-R54 PolarHBondContact O-N 3.45Å; L51-V55 WeakPolarHBondContact O-CG2 3.49Å; L51-V55 PolarHBondContact O-N 2.96Å; L51-L77 HydrophobicContact CB-CD1 4.43Å; L51-L77 HydrophobicContact CD1-CD1 3.95Å |
| 52 | L | 81.1 | Confident | 75.7 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 176.4 | -69.8 | 177.7 | 0 | 0 | 0 | 111.1 | L48 R54 V55 Q56 I74 V199 F203 | L48-L52 HydrophobicContact CD1-CD1 4.02Å; L48-L52 HydrophobicContact CD1-CD2 4.39Å; L48-L52 HydrophobicContact CD1-CG 3.94Å; L48-L52 HydrophobicContact CD2-CD1 4.47Å; L48-L52 HydrophobicContact CG-CD1 3.9Å; L48-L52 HydrophobicContact CG-CG 4.24Å; L48-L52 WeakPolarHBondContact O-CG 3.45Å; L48-L52 PolarHBondContact O-N 3.24Å; L52-R54 VanDerWaalsContact C-N 3.32Å; L52-R54 PolarHBondContact O-N 3.42Å; L52-V55 PolarHBondContact O-N 3.39Å; L52-Q56 WeakPolarHBondContact O-CB 3.45Å; L52-Q56 PolarHBondContact O-N 3.43Å; L52-I74 HydrophobicContact CD2-CD1 4.31Å; L52-I74 HydrophobicContact CD2-CG1 3.92Å; L52-I74 HydrophobicContact CD2-CG2 4.15Å; L52-V199 HydrophobicContact CD1-CG1 4.02Å; L52-F203 HydrophobicContact CB-CD1 4.48Å; L52-F203 HydrophobicContact CB-CD2 3.88Å; L52-F203 HydrophobicContact CB-CE2 3.98Å; L52-F203 HydrophobicContact CB-CG 4.14Å; L52-F203 HydrophobicContact CB-CZ 4.31Å; L52-F203 HydrophobicContact CD1-CB 4Å; L52-F203 HydrophobicContact CD1-CD1 4.14Å; L52-F203 HydrophobicContact CD1-CG 3.98Å; L52-F203 HydrophobicContact CD2-CD1 4.1Å; L52-F203 HydrophobicContact CD2-CE1 4Å; L52-F203 HydrophobicContact CD2-CZ 4.38Å; L52-F203 HydrophobicContact CG-CD1 4.48Å; L52-F203 HydrophobicContact CG-CG 4.45Å |
| 53 | T | 79.1 | Confident | 76.4 | Confident | 64 Ų | 64 | 59.3 Ų | 59.3 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.2 | -38 | 178.6 | -49.7 | 0 | 0 | 0 | 0 | 111.8 | N49 M50 L51 Q56 | N49-T53 WeakPolarHBondContact O-CB 3.4Å; N49-T53 PolarHBondContact O-N 2.93Å; N49-T53 PolarHBondContact O-OG1 3.21Å; M50-T53 PolarHBondContact O-N 2.9Å; L51-T53 VanDerWaalsContact C-N 3.31Å; L51-T53 PolarHBondContact O-N 3.01Å; T53-Q56 VanDerWaalsContact O-CB 3.3Å; T53-Q56 WeakPolarHBondContact O-CB 3.11Å; T53-Q56 PolarHBondContact O-N 3.34Å |
| 54 | R | 76 | Confident | 77.2 | Confident | 67 Ų | 67 | 56.4 Ų | 56.4 | 25% | 0.253 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.5 | -43.4 | 179 | -157.8 | 75.2 | -178.5 | 120.8 | 13.1 | 112 | V19 M50 L51 L52 Q56 Q57 A1603 D1605 | V19-R54 HydrophobicContact CG1-CG 4.39Å; M50-R54 PolarHBondContact O-N 3.02Å; L51-R54 PolarHBondContact O-N 3.45Å; L52-R54 VanDerWaalsContact C-N 3.32Å; L52-R54 PolarHBondContact O-N 3.42Å; R54-Q56 VanDerWaalsContact C-N 3.26Å; R54-Q56 PolarHBondContact O-N 2.86Å; R54-Q57 PolarHBondContact O-N 3.47Å; R54-A1603 VanDerWaalsContact NH2-CB 3.27Å; R54-D1605 IonicContact CZ-OD2 2.99Å; R54-D1605 IonicContact NH1-OD2 3.08Å; R54-D1605 IonicContact NH2-OD2 3.81Å; R54-D1605 PolarHBondContact NH2-OD2 3.48Å |
| 55 | V | 79.6 | Confident | 77.6 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.8 | -28.2 | 176 | -178.4 | 0 | 0 | 0 | 0 | 111 | V19 L51 L52 Q57 L58 A70 I74 | V19-V55 HydrophobicContact CG2-CG2 4.09Å; L51-V55 WeakPolarHBondContact O-CG2 3.49Å; L51-V55 PolarHBondContact O-N 2.96Å; L52-V55 PolarHBondContact O-N 3.39Å; V55-Q57 PolarHBondContact O-N 3.03Å; V55-Q57 VanDerWaalsContact O-N 3.16Å; V55-L58 HydrophobicContact CG1-CD1 4.34Å; V55-L58 WeakPolarHBondContact O-CA 3.35Å; V55-L58 VanDerWaalsContact O-CB 3.25Å; V55-L58 WeakPolarHBondContact O-CB 3.5Å; V55-L58 PolarHBondContact O-N 3.2Å; V55-A70 HydrophobicContact CG1-CB 3.8Å; V55-I74 HydrophobicContact CB-CD1 3.85Å; V55-I74 HydrophobicContact CB-CG1 4.2Å; V55-I74 HydrophobicContact CG1-CD1 3.42Å; V55-I74 VanDerWaalsContact CG1-CD1 3.42Å; V55-I74 HydrophobicContact CG1-CG1 3.79Å |
| 56 | Q | 81 | Confident | 78 | Confident | 36 Ų | 36 | 51.9 Ų | 51.9 | 17% | 0.168 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -53.8 | -37.4 | 175.9 | -162.2 | -178.2 | -5.5 | 0 | 0 | 113 | L52 T53 R54 L58 F59 F203 | L52-Q56 WeakPolarHBondContact O-CB 3.45Å; L52-Q56 PolarHBondContact O-N 3.43Å; T53-Q56 VanDerWaalsContact O-CB 3.3Å; T53-Q56 WeakPolarHBondContact O-CB 3.11Å; T53-Q56 PolarHBondContact O-N 3.34Å; R54-Q56 VanDerWaalsContact C-N 3.26Å; R54-Q56 PolarHBondContact O-N 2.86Å; Q56-L58 PolarHBondContact O-N 2.89Å; Q56-F59 PolarHBondContact O-N 2.91Å; Q56-F59 VanDerWaalsContact O-N 3.12Å; Q56-F203 HydrophobicContact CB-CE2 3.95Å; Q56-F203 HydrophobicContact CB-CZ 4.47Å; Q56-F203 HydrophobicContact CG-CE2 3.94Å |
| 57 | Q | 80.7 | Confident | 78.6 | Confident | 105 Ų | 105 | 48.1 Ų | 48.1 | 49% | 0.491 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.8 | -26.2 | 178.1 | -62.5 | -173 | -13.9 | 0 | 0 | 112.3 | R54 V55 F59 M60 | R54-Q57 PolarHBondContact O-N 3.47Å; V55-Q57 PolarHBondContact O-N 3.03Å; V55-Q57 VanDerWaalsContact O-N 3.16Å; Q57-F59 VanDerWaalsContact C-N 3.35Å; Q57-M60 PolarHBondContact O-N 3.34Å |
| 58 | L | 82.5 | Confident | 79.2 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73 | -24.8 | 177 | -64.2 | 175.5 | 0 | 0 | 0 | 113.1 | V19 L22 K23 V55 Q56 M60 N61 A70 | V19-L58 HydrophobicContact CG1-CD1 4.05Å; L22-L58 HydrophobicContact CB-CD1 3.95Å; L22-L58 HydrophobicContact CD1-CD1 3.77Å; K23-L58 HydrophobicContact CD-CD2 3.9Å; K23-L58 HydrophobicContact CG-CD2 3.5Å; K23-L58 VanDerWaalsContact CG-CD2 3.5Å; V55-L58 HydrophobicContact CG1-CD1 4.34Å; V55-L58 WeakPolarHBondContact O-CA 3.35Å; V55-L58 VanDerWaalsContact O-CB 3.25Å; V55-L58 WeakPolarHBondContact O-CB 3.5Å; V55-L58 PolarHBondContact O-N 3.2Å; Q56-L58 PolarHBondContact O-N 2.89Å; L58-M60 PolarHBondContact O-N 3.1Å; L58-N61 WeakPolarHBondContact O-CB 3.47Å; L58-N61 PolarHBondContact O-N 2.99Å; L58-N61 VanDerWaalsContact O-N 3.12Å; L58-A70 HydrophobicContact CB-CB 3.65Å; L58-A70 HydrophobicContact CD1-CB 4.04Å |
| 59 | F | 81.7 | Confident | 79.4 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.6 | -23.5 | 175.2 | -65.8 | -51.7 | 0 | 0 | 0 | 113.1 | Q56 Q57 N61 R67 A70 A71 I74 F203 L207 G221 A225 | Q56-F59 PolarHBondContact O-N 2.91Å; Q56-F59 VanDerWaalsContact O-N 3.12Å; Q57-F59 VanDerWaalsContact C-N 3.35Å; F59-N61 VanDerWaalsContact C-N 3.29Å; F59-R67 WeakPolarHBondContact O-CD 3.48Å; F59-A70 HydrophobicContact CD1-CB 4.24Å; F59-A70 HydrophobicContact CE1-CB 3.83Å; F59-A70 HydrophobicContact CZ-CB 4.28Å; F59-A71 HydrophobicContact CE1-CB 3.91Å; F59-A71 HydrophobicContact CZ-CB 4.45Å; F59-I74 HydrophobicContact CE2-CD1 3.3Å; F59-I74 HydrophobicContact CZ-CD1 3.41Å; F59-I74 VanDerWaalsContact CZ-CD1 3.41Å; F59-F203 HydrophobicContact CE2-CZ 4.19Å; F59-L207 HydrophobicContact CD2-CD2 4.28Å; F59-L207 HydrophobicContact CE2-CD2 4.48Å; F59-G221 VanDerWaalsContact CD1-O 3.27Å; F59-G221 WeakPolarHBondContact CD1-O 3.48Å; F59-A225 HydrophobicContact CD1-CB 4.42Å; F59-A225 HydrophobicContact CD2-CB 4.23Å; F59-A225 HydrophobicContact CE1-CB 3.81Å; F59-A225 HydrophobicContact CE2-CB 3.58Å; F59-A225 HydrophobicContact CZ-CB 3.34Å |
| 60 | M | 79.8 | Confident | 79.7 | Confident | 85 Ų | 85 | 46.3 Ų | 46.3 | 42% | 0.419 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -3.8 | 175.2 | -58.3 | -93.3 | -174.9 | 0 | 0 | 112.3 | Q57 L58 F217 V218 | Q57-M60 PolarHBondContact O-N 3.34Å; L58-M60 PolarHBondContact O-N 3.1Å; M60-F217 WeakPolarHBondContact O-CE2 3.35Å; M60-V218 HydrophobicContact CE-CG1 3.82Å; M60-V218 HydrophobicContact SD-CB 4.15Å; M60-V218 HydrophobicContact SD-CG1 3.55Å; M60-V218 VanDerWaalsContact SD-CG1 3.55Å; M60-V218 HydrophobicContact SD-CG2 3.48Å; M60-V218 WeakPolarHBondContact SD-CG2 3.43Å |
| 61 | N | 76.2 | Confident | 80.3 | Confident | 42 Ų | 42 | 40.5 Ų | 40.5 | 23% | 0.225 | 20% | 0.195 | C | C | . | . | trans | -72.8 | 139.1 | -178.9 | -168.2 | -28.2 | 0 | 0 | 0 | 110.9 | L58 F59 S63 R67 | L58-N61 WeakPolarHBondContact O-CB 3.47Å; L58-N61 PolarHBondContact O-N 2.99Å; L58-N61 VanDerWaalsContact O-N 3.12Å; F59-N61 VanDerWaalsContact C-N 3.29Å; N61-S63 VanDerWaalsContact C-N 3.27Å; N61-S63 PolarHBondContact O-N 3.36Å; N61-S63 PolarHBondContact OD1-N 3.21Å; N61-R67 WeakPolarHBondContact O-CD 3.46Å; N61-R67 WeakPolarHBondContact O-CG 3.2Å; N61-R67 PolarHBondContact O-NH1 3.19Å | ||
| 62 | R | 70.9 | Confident | 80.7 | Confident | 177 Ų | 177 | 43.4 Ų | 43.4 | 67% | 0.668 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -66 | -25.6 | 177 | -69.2 | -175.6 | 169.4 | -168.5 | -8.9 | 113.3 | Y64 R67 D118 | R62-Y64 PolarHBondContact O-N 2.92Å; R62-R67 PolarHBondContact O-NH1 2.86Å; R62-D118 IonicContact NH2-OD2 3.47Å; R62-D118 PolarHBondContact NH2-OD2 3.25Å |
| 63 | S | 75.5 | Confident | 80.8 | Confident | 56 Ų | 56 | 43.5 Ų | 43.5 | 39% | 0.392 | 21% | 0.209 | S | C | . | . | trans | -69.1 | 116.5 | 178 | 176.9 | 0 | 0 | 0 | 0 | 112.4 | N61 G65 S66 R67 | N61-S63 VanDerWaalsContact C-N 3.27Å; N61-S63 PolarHBondContact O-N 3.36Å; N61-S63 PolarHBondContact OD1-N 3.21Å; S63-G65 PolarHBondContact O-N 3.4Å; S63-S66 WeakPolarHBondContact CB-OG 3.27Å; S63-S66 PolarHBondContact O-N 3.24Å; S63-S66 PolarHBondContact OG-OG 2.86Å; S63-R67 PolarHBondContact O-N 3.03Å | ||
| 64 | Y | 79.4 | Confident | 81.1 | Confident | 127 Ų | 127 | 40.5 Ų | 40.5 | 50% | 0.498 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -52.5 | -51.2 | 175.2 | -179.9 | -88.6 | 0 | 0 | 0 | 112.3 | R62 S66 R67 V68 H220 | R62-Y64 PolarHBondContact O-N 2.92Å; Y64-S66 VanDerWaalsContact C-N 3.31Å; Y64-S66 PolarHBondContact O-N 3.36Å; Y64-R67 PolarHBondContact O-N 3.49Å; Y64-V68 HydrophobicContact CD1-CG2 4.12Å; Y64-V68 HydrophobicContact CE1-CG2 3.69Å; Y64-V68 PolarHBondContact O-N 2.79Å; Y64-V68 VanDerWaalsContact O-N 3.16Å; Y64-H220 AromaticContact CD2-CE1 3.94Å; Y64-H220 AromaticContact CE2-CE1 3.72Å; Y64-H220 AromaticContact CE2-NE2 3.86Å |
| 65 | G | 77.7 | Confident | 81.5 | Confident | 14 Ų | 14 | 37.5 Ų | 37.5 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -33.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R30 S63 S69 | R30-G65 VanDerWaalsContact NH1-C 3.25Å; R30-G65 VanDerWaalsContact NH1-CA 3.27Å; R30-G65 PolarHBondContact NH1-O 3.4Å; S63-G65 PolarHBondContact O-N 3.4Å; G65-S69 PolarHBondContact O-N 3.24Å; G65-S69 VanDerWaalsContact O-N 3.09Å; G65-S69 PolarHBondContact O-OG 3.27Å |
| 66 | S | 79.9 | Confident | 81.5 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.8 | -40.3 | 177 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | S63 Y64 S69 A70 | S63-S66 WeakPolarHBondContact CB-OG 3.27Å; S63-S66 PolarHBondContact O-N 3.24Å; S63-S66 PolarHBondContact OG-OG 2.86Å; Y64-S66 VanDerWaalsContact C-N 3.31Å; Y64-S66 PolarHBondContact O-N 3.36Å; S66-S69 PolarHBondContact O-N 3.48Å; S66-A70 VanDerWaalsContact O-CB 3.28Å; S66-A70 WeakPolarHBondContact O-CB 3.48Å; S66-A70 PolarHBondContact O-N 2.58Å |
| 67 | R | 86.6 | Confident | 81.5 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 177.1 | -65.5 | -171.4 | -61.4 | -101.2 | 11.6 | 112.2 | F59 N61 R62 S63 Y64 A70 A71 F217 H220 L224 | F59-R67 WeakPolarHBondContact O-CD 3.48Å; N61-R67 WeakPolarHBondContact O-CD 3.46Å; N61-R67 WeakPolarHBondContact O-CG 3.2Å; N61-R67 PolarHBondContact O-NH1 3.19Å; R62-R67 PolarHBondContact O-NH1 2.86Å; S63-R67 PolarHBondContact O-N 3.03Å; Y64-R67 PolarHBondContact O-N 3.49Å; R67-A70 PolarHBondContact O-N 3.38Å; R67-A71 PolarHBondContact O-N 3.43Å; R67-F217 WeakPolarHBondContact CD-O 3.47Å; R67-H220 PolarHBondContact NE-ND1 3.47Å; R67-H220 VanDerWaalsContact NE-ND1 3.18Å; R67-L224 HydrophobicContact CB-CD1 4.26Å |
| 68 | V | 85.7 | Confident | 81.5 | Confident | 36 Ų | 36 | 34.7 Ų | 34.7 | 22% | 0.218 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 177.6 | 176 | 0 | 0 | 0 | 0 | 111 | Y64 A70 A71 Q72 L224 | Y64-V68 HydrophobicContact CD1-CG2 4.12Å; Y64-V68 HydrophobicContact CE1-CG2 3.69Å; Y64-V68 PolarHBondContact O-N 2.79Å; Y64-V68 VanDerWaalsContact O-N 3.16Å; V68-A70 VanDerWaalsContact C-N 3.34Å; V68-A70 PolarHBondContact O-N 3.19Å; V68-A71 PolarHBondContact O-N 3.06Å; V68-Q72 WeakPolarHBondContact O-CG 3.21Å; V68-Q72 PolarHBondContact O-N 2.81Å; V68-L224 HydrophobicContact CG2-CD1 3.95Å |
| 69 | S | 81.8 | Confident | 81.3 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 3% | 0.028 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.6 | -36.3 | -179.6 | -42.1 | 0 | 0 | 0 | 0 | 111.4 | R30 V34 G65 S66 A73 | R30-S69 WeakPolarHBondContact CD-OG 3.39Å; R30-S69 PolarHBondContact NH1-OG 3.24Å; R30-S69 VanDerWaalsContact NH1-OG 3.1Å; V34-S69 WeakPolarHBondContact CG2-O 3.31Å; G65-S69 PolarHBondContact O-N 3.24Å; G65-S69 VanDerWaalsContact O-N 3.09Å; G65-S69 PolarHBondContact O-OG 3.27Å; S66-S69 PolarHBondContact O-N 3.48Å; S69-A73 WeakPolarHBondContact O-CB 2.95Å; S69-A73 PolarHBondContact O-N 2.99Å |
| 70 | A | 86.8 | Confident | 81 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.3 | -39.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V55 L58 F59 S66 R67 V68 I74 | V55-A70 HydrophobicContact CG1-CB 3.8Å; L58-A70 HydrophobicContact CB-CB 3.65Å; L58-A70 HydrophobicContact CD1-CB 4.04Å; F59-A70 HydrophobicContact CD1-CB 4.24Å; F59-A70 HydrophobicContact CE1-CB 3.83Å; F59-A70 HydrophobicContact CZ-CB 4.28Å; S66-A70 VanDerWaalsContact O-CB 3.28Å; S66-A70 WeakPolarHBondContact O-CB 3.48Å; S66-A70 PolarHBondContact O-N 2.58Å; R67-A70 PolarHBondContact O-N 3.38Å; V68-A70 VanDerWaalsContact C-N 3.34Å; V68-A70 PolarHBondContact O-N 3.19Å; A70-I74 PolarHBondContact O-N 3.24Å; A70-I74 VanDerWaalsContact O-N 3.13Å |
| 71 | A | 87.4 | Confident | 80.7 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.8 | -48.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F59 R67 V68 A73 I74 G75 L224 E228 | F59-A71 HydrophobicContact CE1-CB 3.91Å; F59-A71 HydrophobicContact CZ-CB 4.45Å; R67-A71 PolarHBondContact O-N 3.43Å; V68-A71 PolarHBondContact O-N 3.06Å; A71-A73 VanDerWaalsContact C-N 3.33Å; A71-A73 PolarHBondContact O-N 2.89Å; A71-I74 PolarHBondContact O-N 3.27Å; A71-G75 PolarHBondContact O-N 3.19Å; A71-L224 HydrophobicContact CB-CB 3.75Å; A71-E228 HydrophobicContact CB-CG 4.14Å |
| 72 | Q | 85 | Confident | 80.5 | Confident | 78 Ų | 78 | 35.6 Ų | 35.6 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 176.9 | -69.9 | 173.6 | -25.3 | 0 | 0 | 112 | V34 V68 I74 G75 E76 | V34-Q72 HydrophobicContact CG1-CB 3.88Å; V34-Q72 HydrophobicContact CG2-CB 4.35Å; V68-Q72 WeakPolarHBondContact O-CG 3.21Å; V68-Q72 PolarHBondContact O-N 2.81Å; Q72-I74 VanDerWaalsContact C-N 3.34Å; Q72-I74 PolarHBondContact O-N 3.18Å; Q72-G75 PolarHBondContact O-N 3.23Å; Q72-E76 PolarHBondContact O-N 3.44Å |
| 73 | A | 84 | Confident | 80.2 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.3 | -42.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L22 V34 L37 S69 A71 L77 | L22-A73 HydrophobicContact CD1-CB 4.01Å; L22-A73 HydrophobicContact CD2-CB 4.48Å; V34-A73 HydrophobicContact CG2-CB 4.27Å; L37-A73 HydrophobicContact CD1-CB 4.03Å; S69-A73 WeakPolarHBondContact O-CB 2.95Å; S69-A73 PolarHBondContact O-N 2.99Å; A71-A73 VanDerWaalsContact C-N 3.33Å; A71-A73 PolarHBondContact O-N 2.89Å; A73-L77 WeakPolarHBondContact O-CB 3.13Å; A73-L77 PolarHBondContact O-N 2.65Å |
| 74 | I | 85.3 | Confident | 79.2 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.5 | -40.2 | 177.2 | -80.7 | 166.8 | 0 | 0 | 0 | 111.9 | L52 V55 F59 A70 A71 Q72 L77 C78 F203 L229 | L52-I74 HydrophobicContact CD2-CD1 4.31Å; L52-I74 HydrophobicContact CD2-CG1 3.92Å; L52-I74 HydrophobicContact CD2-CG2 4.15Å; V55-I74 HydrophobicContact CB-CD1 3.85Å; V55-I74 HydrophobicContact CB-CG1 4.2Å; V55-I74 HydrophobicContact CG1-CD1 3.42Å; V55-I74 VanDerWaalsContact CG1-CD1 3.42Å; V55-I74 HydrophobicContact CG1-CG1 3.79Å; F59-I74 HydrophobicContact CE2-CD1 3.3Å; F59-I74 HydrophobicContact CZ-CD1 3.41Å; F59-I74 VanDerWaalsContact CZ-CD1 3.41Å; A70-I74 PolarHBondContact O-N 3.24Å; A70-I74 VanDerWaalsContact O-N 3.13Å; A71-I74 PolarHBondContact O-N 3.27Å; Q72-I74 VanDerWaalsContact C-N 3.34Å; Q72-I74 PolarHBondContact O-N 3.18Å; I74-L77 PolarHBondContact O-N 2.77Å; I74-C78 WeakPolarHBondContact O-CB 3.38Å; I74-C78 PolarHBondContact O-N 2.83Å; I74-C78 PolarHBondContact O-SG 2.93Å; I74-F203 HydrophobicContact CD1-CE1 3.91Å; I74-F203 HydrophobicContact CD1-CZ 3.74Å; I74-F203 HydrophobicContact CG2-CE1 4.21Å; I74-L229 HydrophobicContact CG2-CD1 4.01Å; I74-L229 HydrophobicContact CG2-CD2 3.65Å; I74-L229 HydrophobicContact CG2-CG 3.89Å |
| 75 | G | 83.9 | Confident | 77.8 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.6 | -54.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A71 Q72 L77 C78 K79 | A71-G75 PolarHBondContact O-N 3.19Å; Q72-G75 PolarHBondContact O-N 3.23Å; G75-L77 PolarHBondContact O-N 2.8Å; G75-C78 PolarHBondContact O-N 2.92Å; G75-K79 WeakPolarHBondContact O-CB 3.33Å; G75-K79 PolarHBondContact O-N 3.46Å |
| 76 | E | 80.8 | Confident | 76.6 | Confident | 80 Ų | 80 | 30.9 Ų | 30.9 | 37% | 0.374 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.5 | -39.5 | 179.7 | -70.7 | -58.8 | 146.6 | 0 | 0 | 112.6 | Q72 K79 A80 | Q72-E76 PolarHBondContact O-N 3.44Å; E76-K79 PolarHBondContact O-N 2.93Å; E76-K79 IonicContact OE1-NZ 3.06Å; E76-A80 WeakPolarHBondContact O-CB 3.43Å; E76-A80 PolarHBondContact O-N 3.32Å |
| 77 | L | 80.4 | Confident | 75.1 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 179 | -167.9 | 154.6 | 0 | 0 | 0 | 111.8 | V42 L48 L51 A73 I74 G75 A80 C81 | V42-L77 HydrophobicContact CG2-CD2 4.47Å; L48-L77 HydrophobicContact CD1-CD2 3.03Å; L51-L77 HydrophobicContact CB-CD1 4.43Å; L51-L77 HydrophobicContact CD1-CD1 3.95Å; A73-L77 WeakPolarHBondContact O-CB 3.13Å; A73-L77 PolarHBondContact O-N 2.65Å; I74-L77 PolarHBondContact O-N 2.77Å; G75-L77 PolarHBondContact O-N 2.8Å; L77-A80 PolarHBondContact O-N 2.81Å; L77-C81 PolarHBondContact O-N 3.41Å; L77-C81 VanDerWaalsContact O-N 3.09Å; L77-C81 PolarHBondContact O-SG 3.33Å |
| 78 | C | 80.1 | Confident | 73 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.4 | -37.4 | 176.6 | -67.7 | 0 | 0 | 0 | 0 | 111.9 | I74 G75 C81 L82 L229 V232 | I74-C78 WeakPolarHBondContact O-CB 3.38Å; I74-C78 PolarHBondContact O-N 2.83Å; I74-C78 PolarHBondContact O-SG 2.93Å; G75-C78 PolarHBondContact O-N 2.92Å; C78-C81 PolarHBondContact O-N 2.92Å; C78-L82 HydrophobicContact CB-CD1 4.36Å; C78-L82 VanDerWaalsContact O-CB 3.23Å; C78-L82 WeakPolarHBondContact O-CB 3.33Å; C78-L82 WeakPolarHBondContact O-CG 3.31Å; C78-L82 PolarHBondContact O-N 3.25Å; C78-L229 HydrophobicContact CB-CD2 3.73Å; C78-L229 WeakPolarHBondContact SG-CD2 3.33Å; C78-V232 HydrophobicContact CB-CG1 4.36Å |
| 79 | K | 79.4 | Confident | 70.7 | Confident | 96 Ų | 96 | 45.2 Ų | 45.2 | 42% | 0.417 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 175.8 | -174 | 179.8 | 176.4 | -170.8 | 0 | 111.2 | G75 E76 L83 V232 | G75-K79 WeakPolarHBondContact O-CB 3.33Å; G75-K79 PolarHBondContact O-N 3.46Å; E76-K79 PolarHBondContact O-N 2.93Å; E76-K79 IonicContact OE1-NZ 3.06Å; K79-L83 HydrophobicContact CG-CD1 3.94Å; K79-L83 VanDerWaalsContact O-CB 3.3Å; K79-L83 WeakPolarHBondContact O-CB 3.48Å; K79-L83 VanDerWaalsContact O-CD1 3.3Å; K79-L83 WeakPolarHBondContact O-CD1 3.32Å; K79-L83 VanDerWaalsContact O-CG 3.27Å; K79-L83 WeakPolarHBondContact O-CG 3.46Å; K79-L83 PolarHBondContact O-N 3.37Å; K79-L83 VanDerWaalsContact O-N 3.08Å; K79-V232 HydrophobicContact CB-CG1 4.24Å; K79-V232 HydrophobicContact CB-CG2 4.35Å |
| 80 | A | 73.4 | Confident | 68.6 | Low | 41 Ų | 41 | 52 Ų | 52 | 34% | 0.339 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E76 L77 | E76-A80 WeakPolarHBondContact O-CB 3.43Å; E76-A80 PolarHBondContact O-N 3.32Å; L77-A80 PolarHBondContact O-N 2.81Å |
| 81 | C | 74.6 | Confident | 66.2 | Low | 12 Ų | 12 | 56.5 Ų | 56.5 | 8% | 0.081 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.9 | -40.1 | -177.7 | -62 | 0 | 0 | 0 | 0 | 113.4 | L77 C78 A85 F196 | L77-C81 PolarHBondContact O-N 3.41Å; L77-C81 VanDerWaalsContact O-N 3.09Å; L77-C81 PolarHBondContact O-SG 3.33Å; C78-C81 PolarHBondContact O-N 2.92Å; C81-A85 PolarHBondContact O-N 3.4Å; C81-F196 HydrophobicContact CB-CD1 4.14Å; C81-F196 HydrophobicContact CB-CE1 4.32Å |
| 82 | L | 71.3 | Confident | 63.7 | Low | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -80.5 | -27.5 | -175 | -70.3 | 169 | 0 | 0 | 0 | 112.5 | C78 D84 A85 H86 V197 V200 V232 | C78-L82 HydrophobicContact CB-CD1 4.36Å; C78-L82 VanDerWaalsContact O-CB 3.23Å; C78-L82 WeakPolarHBondContact O-CB 3.33Å; C78-L82 WeakPolarHBondContact O-CG 3.31Å; C78-L82 PolarHBondContact O-N 3.25Å; L82-D84 PolarHBondContact O-N 2.95Å; L82-A85 PolarHBondContact O-N 3.17Å; L82-H86 WeakPolarHBondContact O-CB 3.27Å; L82-H86 PolarHBondContact O-CD2 3.32Å; L82-H86 PolarHBondContact O-N 2.8Å; L82-V197 HydrophobicContact CD2-CG2 3.99Å; L82-V200 HydrophobicContact CD1-CG2 4.5Å; L82-V232 HydrophobicContact CB-CG1 4.36Å; L82-V232 HydrophobicContact CD1-CG1 3.72Å |
| 83 | L | 65 | Low | 61.3 | Low | 109 Ų | 109 | 63.6 Ų | 63.6 | 57% | 0.571 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -57.1 | -36.9 | 173.2 | -89.1 | 161.7 | 0 | 0 | 0 | 112.3 | K79 | K79-L83 HydrophobicContact CG-CD1 3.94Å; K79-L83 VanDerWaalsContact O-CB 3.3Å; K79-L83 WeakPolarHBondContact O-CB 3.48Å; K79-L83 VanDerWaalsContact O-CD1 3.3Å; K79-L83 WeakPolarHBondContact O-CD1 3.32Å; K79-L83 VanDerWaalsContact O-CG 3.27Å; K79-L83 WeakPolarHBondContact O-CG 3.46Å; K79-L83 PolarHBondContact O-N 3.37Å; K79-L83 VanDerWaalsContact O-N 3.08Å |
| 84 | D | 54.7 | Low | 59.1 | Low | 116 Ų | 116 | 68.9 Ų | 68.9 | 62% | 0.62 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -78.4 | -40.8 | 176.7 | -77 | -23.7 | 0 | 0 | 0 | 112.4 | L82 K87 | L82-D84 PolarHBondContact O-N 2.95Å; D84-K87 PolarHBondContact O-N 2.98Å |
| 85 | A | 50.7 | Low | 56.7 | Low | 15 Ų | 15 | 74.1 Ų | 74.1 | 12% | 0.124 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -67.7 | -36.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | C81 L82 K87 S88 C89 | C81-A85 PolarHBondContact O-N 3.4Å; L82-A85 PolarHBondContact O-N 3.17Å; A85-K87 PolarHBondContact O-N 3.39Å; A85-S88 PolarHBondContact O-N 3.22Å; A85-S88 PolarHBondContact O-OG 3.04Å; A85-C89 PolarHBondContact O-N 3.44Å |
| 86 | H | 52.1 | Low | 54.7 | Low | 36 Ų | 36 | 81 Ų | 81 | 17% | 0.167 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -65.5 | -22.5 | -178.5 | -78.6 | -52.9 | 0 | 0 | 0 | 113.6 | L82 S88 | L82-H86 WeakPolarHBondContact O-CB 3.27Å; L82-H86 PolarHBondContact O-CD2 3.32Å; L82-H86 PolarHBondContact O-N 2.8Å; H86-S88 PolarHBondContact O-N 3.09Å |
| 87 | K | 48.8 | Very low | 53.2 | Low | 175 Ų | 175 | 83.7 Ų | 83.7 | 76% | 0.761 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.5 | 170.2 | -67.7 | 176.7 | -177.5 | 163.5 | 0 | 113.3 | D84 A85 | D84-K87 PolarHBondContact O-N 2.98Å; A85-K87 PolarHBondContact O-N 3.39Å |
| 88 | S | 41.2 | Very low | 51.9 | Low | 94 Ų | 94 | 87.7 Ų | 87.7 | 66% | 0.657 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | -19.8 | -177.7 | 72.2 | 0 | 0 | 0 | 0 | 115.1 | A85 H86 | A85-S88 PolarHBondContact O-N 3.22Å; A85-S88 PolarHBondContact O-OG 3.04Å; H86-S88 PolarHBondContact O-N 3.09Å |
| 89 | C | 37.7 | Very low | 51.2 | Low | 73 Ų | 73 | 92.8 Ų | 92.8 | 49% | 0.493 | 54% | 0.538 | S | S | . | . | trans | -99.4 | 5.3 | -166.9 | -93.2 | 0 | 0 | 0 | 0 | 116.1 | A85 A91 | A85-C89 PolarHBondContact O-N 3.44Å; C89-A91 PolarHBondContact O-N 3.15Å | ||
| 90 | D | 38.3 | Very low | 51 | Low | 145 Ų | 145 | 88.3 Ų | 88.3 | 78% | 0.775 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 14.8 | -175.4 | -81 | -17.1 | 0 | 0 | 0 | 115.6 | ||
| 91 | A | 35.6 | Very low | 50.9 | Low | 95 Ų | 95 | 91.8 Ų | 91.8 | 79% | 0.785 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | 7.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | C89 | C89-A91 PolarHBondContact O-N 3.15Š|
| 92 | A | 35.1 | Very low | 51.2 | Low | 86 Ų | 86 | 92.4 Ų | 92.4 | 71% | 0.711 | 53% | 0.533 | S | S | * | . | trans | -114.4 | 83.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | V94 | A92-V94 PolarHBondContact O-N 3.49Å; A92-V94 VanDerWaalsContact O-N 3.13Å | ||
| 93 | T | 34.1 | Very low | 51.7 | Low | 143 Ų | 143 | 95.9 Ų | 95.9 | 88% | 0.877 | 55% | 0.552 | S | S | * | * | trans | -72 | 93 | 166.5 | 44 | 0 | 0 | 0 | 0 | 110 | ||||
| 94 | V | 38.3 | Very low | 52.6 | Low | 113 Ų | 113 | 91 Ų | 91 | 69% | 0.685 | 53% | 0.526 | S | S | * | . | trans | -86.9 | 109.9 | 165.5 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | A92 E96 | A92-V94 PolarHBondContact O-N 3.49Å; A92-V94 VanDerWaalsContact O-N 3.13Å; V94-E96 PolarHBondContact O-N 3.35Å | ||
| 95 | S | 36 | Very low | 53.7 | Low | 112 Ų | 112 | 91.7 Ų | 91.7 | 78% | 0.783 | 52% | 0.524 | S | S | * | . | trans | -82 | 91.1 | 176.6 | 62.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 96 | E | 41.4 | Very low | 55 | Low | 148 Ų | 148 | 95 Ų | 95 | 69% | 0.692 | 54% | 0.539 | S | S | * | . | trans | -154.2 | 106.2 | 156 | -109.2 | 169.5 | -145.8 | 0 | 0 | 107.5 | V94 F98 | V94-E96 PolarHBondContact O-N 3.35Å; E96-F98 PolarHBondContact O-N 2.88Å | ||
| 97 | T | 49.5 | Very low | 56.2 | Low | 137 Ų | 137 | 94.1 Ų | 94.1 | 84% | 0.84 | 54% | 0.537 | S | S | * | . | trans | -72.6 | 90.4 | -177.8 | 43.6 | 0 | 0 | 0 | 0 | 109.8 | Q99 | T97-Q99 PolarHBondContact O-N 3.37Š| ||
| 98 | F | 53.2 | Low | 57.5 | Low | 92 Ų | 92 | 87.3 Ų | 87.3 | 40% | 0.404 | 51% | 0.508 | S | S | . | . | trans | -62 | 126.8 | 163.5 | -92.2 | -92.3 | 0 | 0 | 0 | 109.3 | E96 L240 | E96-F98 PolarHBondContact O-N 2.88Å; F98-L240 HydrophobicContact CB-CD1 4.21Å; F98-L240 WeakPolarHBondContact O-CD1 3.43Å | ||
| 99 | Q | 65.5 | Low | 59.1 | Low | 106 Ų | 106 | 88 Ų | 88 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | trans | -95.6 | 141.8 | 172.3 | -70 | -169 | 4 | 0 | 0 | 109.8 | T97 N101 | T97-Q99 PolarHBondContact O-N 3.37Å; Q99-N101 PolarHBondContact O-N 2.9Å; Q99-N101 VanDerWaalsContact O-N 3.09Å | ||
| 100 | L | 74.1 | Confident | 60.8 | Low | 2 Ų | 2 | 88.3 Ų | 88.3 | 1% | 0.01 | 50% | 0.503 | C | S | . | . | trans | -68.6 | 98.2 | 174.3 | -169.5 | 78.1 | 0 | 0 | 0 | 110.4 | F102 L240 L243 E244 L286 R289 I293 | L100-F102 PolarHBondContact O-N 2.74Å; L100-L240 HydrophobicContact CB-CD2 4.22Å; L100-L240 HydrophobicContact CD1-CD2 3.91Å; L100-L243 HydrophobicContact CD1-CB 4.36Å; L100-L243 HydrophobicContact CD1-CD2 3.88Å; L100-L243 HydrophobicContact CD1-CG 4.22Å; L100-L243 HydrophobicContact CD2-CD2 4.15Å; L100-E244 WeakPolarHBondContact CA-OE1 3.34Å; L100-E244 HydrophobicContact CD1-CG 3.56Å; L100-E244 HydrophobicContact CG-CG 4.39Å; L100-L286 HydrophobicContact CB-CD2 4.26Å; L100-R289 PolarHBondContact O-NE 2.89Å; L100-R289 PolarHBondContact O-NH2 3.05Å; L100-I293 HydrophobicContact CD2-CD1 3.47Å; L100-I293 VanDerWaalsContact CD2-CD1 3.47Å; L100-I293 HydrophobicContact CG-CD1 4.25Å | ||
| 101 | N | 71.9 | Confident | 62.3 | Low | 115 Ų | 115 | 82.7 Ų | 82.7 | 62% | 0.615 | 47% | 0.473 | S | S | * | . | trans | -101.6 | 51.5 | -172.6 | -78.4 | -17.7 | 0 | 0 | 0 | 112.1 | Q99 E244 R289 | Q99-N101 PolarHBondContact O-N 2.9Å; Q99-N101 VanDerWaalsContact O-N 3.09Å; N101-E244 PolarHBondContact N-OE1 3.13Å; N101-R289 PolarHBondContact OD1-NH2 3.48Å | ||
| 102 | F | 81.8 | Confident | 63.9 | Low | 25 Ų | 25 | 83.6 Ų | 83.6 | 11% | 0.11 | 46% | 0.461 | C | S | . | . | trans | -89.2 | 123.2 | 174.8 | -177.8 | -97.5 | 0 | 0 | 0 | 111.6 | L100 L104 T107 L247 A251 I293 F297 | L100-F102 PolarHBondContact O-N 2.74Å; F102-L104 HydrophobicContact CE1-CB 4.01Å; F102-L104 HydrophobicContact CE1-CD1 4.36Å; F102-L104 HydrophobicContact CZ-CD1 4.28Å; F102-T107 HydrophobicContact CE2-CG2 4.28Å; F102-L247 HydrophobicContact CB-CD1 4.37Å; F102-L247 HydrophobicContact CD1-CB 4.32Å; F102-L247 HydrophobicContact CD1-CD1 4.38Å; F102-L247 HydrophobicContact CD2-CB 3.95Å; F102-L247 HydrophobicContact CE1-CB 4.25Å; F102-L247 HydrophobicContact CE2-CB 3.89Å; F102-L247 HydrophobicContact CG-CB 4.17Å; F102-L247 HydrophobicContact CG-CD1 4.24Å; F102-L247 HydrophobicContact CZ-CB 4.03Å; F102-A251 HydrophobicContact CZ-CB 4.37Å; F102-I293 HydrophobicContact CB-CD1 4.12Å; F102-I293 HydrophobicContact CD1-CD1 4.41Å; F102-I293 HydrophobicContact CD1-CG1 4.39Å; F102-I293 HydrophobicContact CD1-CG2 3.6Å; F102-I293 HydrophobicContact CE1-CG2 3.94Å; F102-F297 AromaticContact CE1-CE2 3.64Å; F102-F297 HydrophobicContact CE1-CE2 3.64Å; F102-F297 HydrophobicContact CE1-CZ 4.02Å; F102-F297 HydrophobicContact CZ-CE2 4.13Å; F102-F297 HydrophobicContact CZ-CZ 4.03Å | ||
| 103 | D | 81.5 | Confident | 65.8 | Low | 77 Ų | 77 | 82.9 Ų | 82.9 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | trans | -121 | 112.2 | 171.1 | -178.7 | -14.7 | 0 | 0 | 0 | 109.5 | K105 N106 T107 | D103-K105 VanDerWaalsContact C-N 3.33Å; D103-K105 PolarHBondContact O-N 2.89Å; D103-K105 PolarHBondContact OD1-N 3.46Å; D103-N106 HydrophobicContact CB-CB 4.09Å; D103-N106 PolarHBondContact OD1-N 3.28Å; D103-N106 PolarHBondContact OD2-ND2 2.83Å; D103-T107 WeakPolarHBondContact O-CB 3.36Å; D103-T107 PolarHBondContact O-N 3.39Å; D103-T107 PolarHBondContact O-OG1 3.39Å | ||
| 104 | L | 82.4 | Confident | 67.5 | Low | 7 Ų | 7 | 77.3 Ų | 77.3 | 4% | 0.037 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -58.5 | -43.6 | -177.5 | 178.6 | 60.6 | 0 | 0 | 0 | 112.1 | F102 T107 L108 A251 F297 F300 | F102-L104 HydrophobicContact CE1-CB 4.01Å; F102-L104 HydrophobicContact CE1-CD1 4.36Å; F102-L104 HydrophobicContact CZ-CD1 4.28Å; L104-T107 PolarHBondContact O-N 3.05Å; L104-L108 HydrophobicContact CD1-CD1 3.94Å; L104-L108 HydrophobicContact CD1-CG 4.24Å; L104-L108 HydrophobicContact CG-CD1 4.07Å; L104-L108 WeakPolarHBondContact O-CG 3.38Å; L104-L108 PolarHBondContact O-N 3.32Å; L104-A251 HydrophobicContact CD1-CB 3.56Å; L104-F297 HydrophobicContact CD1-CD1 4.12Å; L104-F297 HydrophobicContact CD1-CD2 4.43Å; L104-F297 HydrophobicContact CD1-CE1 3.68Å; L104-F297 HydrophobicContact CD1-CE2 4.02Å; L104-F297 HydrophobicContact CD1-CG 4.49Å; L104-F297 HydrophobicContact CD1-CZ 3.63Å; L104-F297 HydrophobicContact CD2-CB 4.45Å; L104-F297 HydrophobicContact CD2-CD1 4.18Å; L104-F297 HydrophobicContact CD2-CD2 4.12Å; L104-F297 HydrophobicContact CD2-CE2 4.48Å; L104-F297 HydrophobicContact CD2-CG 3.97Å; L104-F300 HydrophobicContact CD2-CB 4.41Å; L104-F300 HydrophobicContact CD2-CD2 3.89Å; L104-F300 HydrophobicContact CD2-CG 4.33Å; L104-F300 HydrophobicContact CG-CD2 4.45Å |
| 105 | K | 78.7 | Confident | 68.7 | Low | 129 Ų | 129 | 77.9 Ų | 77.9 | 56% | 0.561 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -68.9 | -45.8 | -174.1 | -167.6 | 179.7 | -179.3 | -178 | 0 | 110.6 | D103 T107 L108 E109 | D103-K105 VanDerWaalsContact C-N 3.33Å; D103-K105 PolarHBondContact O-N 2.89Å; D103-K105 PolarHBondContact OD1-N 3.46Å; K105-T107 VanDerWaalsContact C-N 3.3Å; K105-T107 PolarHBondContact O-N 3.21Å; K105-L108 PolarHBondContact O-N 3.17Å; K105-E109 VanDerWaalsContact CE-OE1 3.26Å; K105-E109 WeakPolarHBondContact CE-OE1 3.21Å; K105-E109 WeakPolarHBondContact O-CB 3.34Å; K105-E109 WeakPolarHBondContact O-CG 3.37Å; K105-E109 PolarHBondContact O-N 3.43Å |
| 106 | N | 77.1 | Confident | 69.6 | Low | 85 Ų | 85 | 74.7 Ų | 74.7 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 174.7 | -77.5 | -22.1 | 0 | 0 | 0 | 111.9 | D103 E109 C110 | D103-N106 HydrophobicContact CB-CB 4.09Å; D103-N106 PolarHBondContact OD1-N 3.28Å; D103-N106 PolarHBondContact OD2-ND2 2.83Å; N106-E109 PolarHBondContact O-N 3.46Å; N106-C110 VanDerWaalsContact O-CB 3.23Å; N106-C110 WeakPolarHBondContact O-CB 3.5Å; N106-C110 PolarHBondContact O-N 3.46Å; N106-C110 PolarHBondContact O-SG 3.21Å |
| 107 | T | 78.4 | Confident | 69.9 | Low | 18 Ų | 18 | 71.4 Ų | 71.4 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.2 | -43.2 | -179.7 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | F102 D103 L104 K105 N111 L252 | F102-T107 HydrophobicContact CE2-CG2 4.28Å; D103-T107 WeakPolarHBondContact O-CB 3.36Å; D103-T107 PolarHBondContact O-N 3.39Å; D103-T107 PolarHBondContact O-OG1 3.39Å; L104-T107 PolarHBondContact O-N 3.05Å; K105-T107 VanDerWaalsContact C-N 3.3Å; K105-T107 PolarHBondContact O-N 3.21Å; T107-N111 WeakPolarHBondContact O-CB 3.46Å; T107-N111 PolarHBondContact O-N 3.5Å; T107-N111 PolarHBondContact O-ND2 2.84Å; T107-L252 HydrophobicContact CG2-CD1 4.16Å; T107-L252 HydrophobicContact CG2-CD2 4.4Å; T107-L252 HydrophobicContact CG2-CG 4.21Å |
| 108 | L | 76.6 | Confident | 69.5 | Low | 32 Ų | 32 | 67.5 Ų | 67.5 | 17% | 0.168 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71.5 | -33.4 | 177.3 | -70.1 | 170.1 | 0 | 0 | 0 | 112.9 | L104 K105 A251 L252 F300 | L104-L108 HydrophobicContact CD1-CD1 3.94Å; L104-L108 HydrophobicContact CD1-CG 4.24Å; L104-L108 HydrophobicContact CG-CD1 4.07Å; L104-L108 WeakPolarHBondContact O-CG 3.38Å; L104-L108 PolarHBondContact O-N 3.32Å; K105-L108 PolarHBondContact O-N 3.17Å; L108-A251 HydrophobicContact CD2-CB 4.36Å; L108-A251 WeakPolarHBondContact CD2-O 3.4Å; L108-L252 HydrophobicContact CD2-CD2 4.38Å; L108-F300 HydrophobicContact CD1-CD2 4.5Å; L108-F300 HydrophobicContact CD1-CE1 3.93Å; L108-F300 HydrophobicContact CD1-CE2 3.78Å; L108-F300 HydrophobicContact CD1-CZ 3.45Å; L108-F300 VanDerWaalsContact CD1-CZ 3.45Å |
| 109 | E | 74.7 | Confident | 68.6 | Low | 109 Ų | 109 | 65.6 Ų | 65.6 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -74.7 | -41.1 | 179.2 | -74.8 | -179.6 | -169.7 | 0 | 0 | 112.4 | K105 N106 K177 | K105-E109 VanDerWaalsContact CE-OE1 3.26Å; K105-E109 WeakPolarHBondContact CE-OE1 3.21Å; K105-E109 WeakPolarHBondContact O-CB 3.34Å; K105-E109 WeakPolarHBondContact O-CG 3.37Å; K105-E109 PolarHBondContact O-N 3.43Å; N106-E109 PolarHBondContact O-N 3.46Å; E109-K177 PolarHBondContact O-NZ 2.87Å |
| 110 | C | 72.3 | Confident | 67.1 | Low | 79 Ų | 79 | 67.5 Ų | 67.5 | 53% | 0.534 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -81.1 | -28.6 | -173.8 | -66.1 | 0 | 0 | 0 | 0 | 114.3 | N106 | N106-C110 VanDerWaalsContact O-CB 3.23Å; N106-C110 WeakPolarHBondContact O-CB 3.5Å; N106-C110 PolarHBondContact O-N 3.46Å; N106-C110 PolarHBondContact O-SG 3.21Å |
| 111 | N | 70.3 | Confident | 65.3 | Low | 26 Ų | 26 | 75.5 Ų | 75.5 | 14% | 0.139 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -109.4 | 160.4 | -172.2 | -59 | -51.9 | 0 | 0 | 0 | 112.5 | T107 L180 L252 | T107-N111 WeakPolarHBondContact O-CB 3.46Å; T107-N111 PolarHBondContact O-N 3.5Å; T107-N111 PolarHBondContact O-ND2 2.84Å; N111-L180 VanDerWaalsContact OD1-CD2 3.23Å; N111-L180 WeakPolarHBondContact OD1-CD2 3.47Å; N111-L252 HydrophobicContact CB-CD1 3.85Å; N111-L252 HydrophobicContact CB-CD2 3.79Å |
| 112 | E | 70.1 | Confident | 63.6 | Low | 115 Ų | 115 | 78 Ų | 78 | 54% | 0.537 | 42% | 0.417 | S | S | . | . | trans | -86.4 | 148.7 | 168.8 | -75.5 | -175.5 | 166.6 | 0 | 0 | 110.9 | K177 | E112-K177 HydrophobicContact CG-CB 4.35Š| ||
| 113 | V | 73 | Confident | 61.4 | Low | 70 Ų | 70 | 83.2 Ų | 83.2 | 42% | 0.424 | 45% | 0.446 | S | S | . | . | trans | -70.8 | 134.5 | 176.6 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | L115 L252 R254 | V113-L115 HydrophobicContact CG1-CD1 4.47Å; V113-L115 HydrophobicContact CG1-CG 4.26Å; V113-L115 PolarHBondContact O-N 2.87Å; V113-L252 WeakPolarHBondContact CG1-O 3.48Å; V113-R254 HydrophobicContact CG1-CB 3.88Å; V113-R254 HydrophobicContact CG1-CG 3.14Å | ||
| 114 | M | 71.8 | Confident | 59.2 | Low | 26 Ų | 26 | 80.5 Ų | 80.5 | 13% | 0.128 | 43% | 0.434 | C | S | . | . | B | Isolated β-bridge | trans | -84.9 | 109.2 | 179.9 | -65.3 | -173.8 | -73.3 | 0 | 0 | 110.3 | Y212 V249 L252 D253 R254 | M114-Y212 HydrophobicContact CE-CD1 4.43Å; M114-Y212 HydrophobicContact SD-CD1 4.12Å; M114-V249 HydrophobicContact CE-CB 4.24Å; M114-V249 HydrophobicContact CE-CG1 4.01Å; M114-V249 HydrophobicContact CE-CG2 4.02Å; M114-L252 HydrophobicContact CE-CB 3.79Å; M114-L252 PolarHBondContact N-O 2.92Å; M114-D253 HydrophobicContact CE-CB 4.24Å; M114-R254 PolarHBondContact O-N 3.45Å |
| 115 | L | 63.5 | Low | 57.2 | Low | 125 Ų | 125 | 85.4 Ų | 85.4 | 65% | 0.654 | 46% | 0.46 | S | S | * | . | trans | -126.5 | 122.9 | 175 | -71.8 | 163.7 | 0 | 0 | 0 | 108 | V113 R254 | V113-L115 HydrophobicContact CG1-CD1 4.47Å; V113-L115 HydrophobicContact CG1-CG 4.26Å; V113-L115 PolarHBondContact O-N 2.87Å; L115-R254 HydrophobicContact CD2-CB 3.62Å; L115-R254 HydrophobicContact CG-CB 4.31Å | ||
| 116 | C | 53.2 | Low | 55.6 | Low | 46 Ų | 46 | 84 Ų | 84 | 31% | 0.311 | 46% | 0.463 | S | S | . | . | trans | -164.6 | 103.7 | 163.5 | -121.5 | 0 | 0 | 0 | 0 | 110.9 | A214 | C116-A214 WeakPolarHBondContact CB-O 3.34Š| ||
| 117 | C | 48 | Very low | 54.1 | Low | 79 Ų | 79 | 87 Ų | 87 | 53% | 0.534 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -78.2 | 138.1 | 140.6 | -61.4 | 0 | 0 | 0 | 0 | 106 | G119 | C117-G119 PolarHBondContact O-N 3.37Š|
| 118 | D | 40.8 | Very low | 52.4 | Low | 55 Ų | 55 | 90.4 Ų | 90.4 | 29% | 0.294 | 49% | 0.49 | S | S | . | . | trans | -52.6 | 113.8 | 177.6 | -82.2 | -20.5 | 0 | 0 | 0 | 108.8 | R62 N120 | R62-D118 IonicContact NH2-OD2 3.47Å; R62-D118 PolarHBondContact NH2-OD2 3.25Å; D118-N120 PolarHBondContact O-N 2.91Å | ||
| 119 | G | 34.9 | Very low | 50.8 | Low | 51 Ų | 51 | 95 Ų | 95 | 53% | 0.526 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 26.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | C117 | C117-G119 PolarHBondContact O-N 3.37Š|
| 120 | N | 34.8 | Very low | 49.7 | Very low | 146 Ų | 146 | 96.4 Ų | 96.4 | 78% | 0.781 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -10.5 | 172.4 | -68.8 | -13.5 | 0 | 0 | 0 | 112.9 | D118 | D118-N120 PolarHBondContact O-N 2.91Š|
| 121 | E | 36.5 | Very low | 48.8 | Very low | 170 Ų | 170 | 98.7 Ų | 98.7 | 79% | 0.794 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -90 | -12.8 | 178.4 | -70 | -179.9 | 175.3 | 0 | 0 | 113.2 | ||
| 122 | F | 35.8 | Very low | 47.8 | Very low | 169 Ų | 169 | 103.1 Ų | 103.1 | 74% | 0.741 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -112.9 | 1.6 | 179.2 | -75.1 | -82 | 0 | 0 | 0 | 115 | A124 | F122-A124 PolarHBondContact O-N 3.17Š|
| 123 | D | 35.1 | Very low | 47.1 | Very low | 134 Ų | 134 | 101.7 Ų | 101.7 | 72% | 0.717 | 52% | 0.524 | S | S | * | . | trans | -75.7 | 54.7 | 163.6 | -83.3 | -14.4 | 0 | 0 | 0 | 109.8 | L125 | D123-L125 PolarHBondContact O-N 2.86Š| ||
| 124 | A | 34.4 | Very low | 46.4 | Very low | 19 Ų | 19 | 104.6 Ų | 104.6 | 16% | 0.157 | 53% | 0.533 | C | S | . | . | trans | -59.9 | 121.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | F122 E128 | F122-A124 PolarHBondContact O-N 3.17Å; A124-E128 HydrophobicContact CB-CB 4.21Å | ||
| 125 | L | 41.5 | Very low | 45.6 | Very low | 111 Ų | 111 | 109.3 Ų | 109.3 | 58% | 0.581 | 56% | 0.556 | S | S | * | * | trans | -52.7 | 145.5 | 171.4 | -75.1 | 159.9 | 0 | 0 | 0 | 108 | D123 Q127 E128 R129 | D123-L125 PolarHBondContact O-N 2.86Å; L125-Q127 PolarHBondContact O-N 3.43Å; L125-E128 HydrophobicContact CB-CG 4.47Å; L125-E128 PolarHBondContact N-OE2 3.33Å; L125-E128 PolarHBondContact O-N 3.19Å; L125-R129 PolarHBondContact O-N 3.24Å | ||
| 126 | P | 44 | Very low | 45.2 | Very low | 98 Ų | 98 | 107.1 Ų | 107.1 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -50.8 | -27.5 | -176.6 | -27.5 | 32.9 | 0 | 0 | 0 | 114.3 | Q130 | P126-Q130 PolarHBondContact O-N 3.16Å |
| 127 | Q | 46.9 | Very low | 45.2 | Very low | 148 Ų | 148 | 105.7 Ų | 105.7 | 69% | 0.692 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.1 | -44 | 174.2 | -73.5 | -180 | -30.6 | 0 | 0 | 113.3 | L125 R129 Q130 E131 | L125-Q127 PolarHBondContact O-N 3.43Å; Q127-R129 VanDerWaalsContact C-N 3.28Å; Q127-R129 PolarHBondContact O-N 2.98Å; Q127-Q130 WeakPolarHBondContact O-CB 3.29Å; Q127-Q130 PolarHBondContact O-N 3.43Å; Q127-Q130 VanDerWaalsContact O-N 3.13Å; Q127-E131 PolarHBondContact O-N 3.37Å |
| 128 | E | 42.9 | Very low | 45.8 | Very low | 91 Ų | 91 | 107.9 Ų | 107.9 | 43% | 0.425 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.1 | -31.9 | 178 | -67 | 172 | 160.2 | 0 | 0 | 111.3 | A124 L125 Q130 E131 Q132 | A124-E128 HydrophobicContact CB-CB 4.21Å; L125-E128 HydrophobicContact CB-CG 4.47Å; L125-E128 PolarHBondContact N-OE2 3.33Å; L125-E128 PolarHBondContact O-N 3.19Å; E128-Q130 VanDerWaalsContact C-N 3.31Å; E128-Q130 PolarHBondContact O-N 2.62Å; E128-E131 PolarHBondContact O-N 2.84Å; E128-Q132 WeakPolarHBondContact O-CB 3.46Å; E128-Q132 WeakPolarHBondContact O-CG 3.5Å; E128-Q132 PolarHBondContact O-N 2.94Å |
| 129 | R | 42.3 | Very low | 46.5 | Very low | 128 Ų | 128 | 111.7 Ų | 111.7 | 48% | 0.483 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.8 | -37.5 | 172.9 | -144.8 | -170.8 | -59.2 | -174.7 | -1.3 | 111.7 | L125 Q127 Y133 | L125-R129 PolarHBondContact O-N 3.24Å; Q127-R129 VanDerWaalsContact C-N 3.28Å; Q127-R129 PolarHBondContact O-N 2.98Å; R129-Y133 WeakPolarHBondContact O-CB 3.39Å; R129-Y133 WeakPolarHBondContact O-CD2 3.25Å; R129-Y133 PolarHBondContact O-N 3.17Å |
| 130 | Q | 51.6 | Low | 47.4 | Very low | 139 Ų | 139 | 112.2 Ų | 112.2 | 65% | 0.65 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70.2 | -40.2 | 173.9 | -108.7 | 179.4 | -6.8 | 0 | 0 | 112.1 | P126 Q127 E128 Y133 Q134 | P126-Q130 PolarHBondContact O-N 3.16Å; Q127-Q130 WeakPolarHBondContact O-CB 3.29Å; Q127-Q130 PolarHBondContact O-N 3.43Å; Q127-Q130 VanDerWaalsContact O-N 3.13Å; E128-Q130 VanDerWaalsContact C-N 3.31Å; E128-Q130 PolarHBondContact O-N 2.62Å; Q130-Y133 PolarHBondContact O-N 3.1Å; Q130-Q134 WeakPolarHBondContact O-CB 3.39Å; Q130-Q134 PolarHBondContact O-N 3.32Å |
| 131 | E | 54.2 | Low | 48.5 | Very low | 126 Ų | 126 | 108 Ų | 108 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.9 | -39.5 | 175.3 | -72.8 | -177.8 | 177.3 | 0 | 0 | 111.8 | Q127 E128 Q134 M135 | Q127-E131 PolarHBondContact O-N 3.37Å; E128-E131 PolarHBondContact O-N 2.84Å; E131-Q134 CarbonylContact O-C 3.59Å; E131-Q134 PolarHBondContact O-N 3.05Å; E131-M135 WeakPolarHBondContact O-CB 3.5Å; E131-M135 PolarHBondContact O-N 2.86Å |
| 132 | Q | 48.5 | Very low | 49.5 | Very low | 120 Ų | 120 | 106.9 Ų | 106.9 | 56% | 0.561 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64 | -44 | 171.5 | -77.5 | -179 | -12.8 | 0 | 0 | 111.3 | E128 Q134 M135 L136 | E128-Q132 WeakPolarHBondContact O-CB 3.46Å; E128-Q132 WeakPolarHBondContact O-CG 3.5Å; E128-Q132 PolarHBondContact O-N 2.94Å; Q132-Q134 VanDerWaalsContact C-N 3.28Å; Q132-Q134 PolarHBondContact O-N 3.42Å; Q132-M135 PolarHBondContact O-N 2.75Å; Q132-L136 WeakPolarHBondContact O-CB 3.44Å; Q132-L136 PolarHBondContact O-N 3.34Å |
| 133 | Y | 55.5 | Low | 50.3 | Low | 85 Ų | 85 | 106.3 Ų | 106.3 | 33% | 0.333 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.8 | -37.9 | 172.1 | -105.8 | -80.6 | 0 | 0 | 0 | 112.3 | R129 Q130 G137 I150 L159 | R129-Y133 WeakPolarHBondContact O-CB 3.39Å; R129-Y133 WeakPolarHBondContact O-CD2 3.25Å; R129-Y133 PolarHBondContact O-N 3.17Å; Q130-Y133 PolarHBondContact O-N 3.1Å; Y133-G137 WeakPolarHBondContact O-CA 3.28Å; Y133-G137 PolarHBondContact O-N 3.37Å; Y133-I150 HydrophobicContact CD1-CG2 4.28Å; Y133-I150 HydrophobicContact CE1-CG2 3.96Å; Y133-L159 HydrophobicContact CE2-CD1 3.72Å |
| 134 | Q | 58.6 | Low | 50.9 | Low | 130 Ų | 130 | 106.8 Ų | 106.8 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71 | -42.1 | 176.2 | -84.1 | -174.5 | -6.3 | 0 | 0 | 112.5 | Q130 E131 Q132 G137 Q138 | Q130-Q134 WeakPolarHBondContact O-CB 3.39Å; Q130-Q134 PolarHBondContact O-N 3.32Å; E131-Q134 CarbonylContact O-C 3.59Å; E131-Q134 PolarHBondContact O-N 3.05Å; Q132-Q134 VanDerWaalsContact C-N 3.28Å; Q132-Q134 PolarHBondContact O-N 3.42Å; Q134-G137 CarbonylContact O-C 3.47Å; Q134-G137 PolarHBondContact O-N 2.94Å; Q134-Q138 WeakPolarHBondContact O-CB 3.39Å; Q134-Q138 WeakPolarHBondContact O-CG 3.47Å; Q134-Q138 PolarHBondContact O-N 3.09Å |
| 135 | M | 54.6 | Low | 51.6 | Low | 125 Ų | 125 | 110.2 Ų | 110.2 | 62% | 0.616 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.2 | -44.6 | 177.4 | -81.9 | -147.1 | 163.1 | 0 | 0 | 111.5 | E131 Q132 G137 Q138 Q139 | E131-M135 WeakPolarHBondContact O-CB 3.5Å; E131-M135 PolarHBondContact O-N 2.86Å; Q132-M135 PolarHBondContact O-N 2.75Å; M135-G137 PolarHBondContact O-N 3.48Å; M135-Q138 PolarHBondContact O-N 3.4Å; M135-Q139 WeakPolarHBondContact O-CB 3.33Å; M135-Q139 WeakPolarHBondContact O-CG 3.43Å; M135-Q139 PolarHBondContact O-N 3.28Å |
| 136 | L | 54.4 | Low | 52 | Low | 79 Ų | 79 | 113.9 Ų | 113.9 | 41% | 0.414 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.7 | -40.4 | 173.4 | -151.6 | 86.6 | 0 | 0 | 0 | 109.9 | Q132 Q139 L140 | Q132-L136 WeakPolarHBondContact O-CB 3.44Å; Q132-L136 PolarHBondContact O-N 3.34Å; L136-Q139 PolarHBondContact O-N 3.32Å; L136-L140 HydrophobicContact CD2-CD1 4.12Å; L136-L140 HydrophobicContact CG-CD1 3.99Å; L136-L140 VanDerWaalsContact O-CB 3.26Å; L136-L140 WeakPolarHBondContact O-CB 3.43Å; L136-L140 WeakPolarHBondContact O-CG 3.48Å; L136-L140 PolarHBondContact O-N 3.23Å |
| 137 | G | 54.5 | Low | 52.6 | Low | 16 Ų | 16 | 115.3 Ų | 115.3 | 17% | 0.165 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -62.1 | -42.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y133 Q134 M135 A141 | Y133-G137 WeakPolarHBondContact O-CA 3.28Å; Y133-G137 PolarHBondContact O-N 3.37Å; Q134-G137 CarbonylContact O-C 3.47Å; Q134-G137 PolarHBondContact O-N 2.94Å; M135-G137 PolarHBondContact O-N 3.48Å; G137-A141 WeakPolarHBondContact O-CB 3.42Å; G137-A141 PolarHBondContact O-N 2.96Å |
| 138 | Q | 60.8 | Low | 52.5 | Low | 126 Ų | 126 | 114.6 Ų | 114.6 | 59% | 0.589 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.8 | -46.8 | 176.2 | -79.1 | 178 | -3.4 | 0 | 0 | 111.4 | Q134 M135 L140 A141 D142 | Q134-Q138 WeakPolarHBondContact O-CB 3.39Å; Q134-Q138 WeakPolarHBondContact O-CG 3.47Å; Q134-Q138 PolarHBondContact O-N 3.09Å; M135-Q138 PolarHBondContact O-N 3.4Å; Q138-L140 VanDerWaalsContact C-N 3.31Å; Q138-L140 PolarHBondContact O-N 3.39Å; Q138-A141 PolarHBondContact O-N 3.3Å; Q138-D142 PolarHBondContact O-N 2.76Å |
| 139 | Q | 54.9 | Low | 53.1 | Low | 134 Ų | 134 | 115.2 Ų | 115.2 | 63% | 0.626 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.8 | -36.1 | 179.3 | -75 | -173.2 | -12.5 | 0 | 0 | 112.7 | M135 L136 | M135-Q139 WeakPolarHBondContact O-CB 3.33Å; M135-Q139 WeakPolarHBondContact O-CG 3.43Å; M135-Q139 PolarHBondContact O-N 3.28Å; L136-Q139 PolarHBondContact O-N 3.32Å |
| 140 | L | 53.5 | Low | 53.4 | Low | 62 Ų | 62 | 111.5 Ų | 111.5 | 33% | 0.325 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -80.8 | -33.1 | 176.9 | -72.7 | 166.3 | 0 | 0 | 0 | 112.5 | L136 Q138 D142 K143 Y144 I150 | L136-L140 HydrophobicContact CD2-CD1 4.12Å; L136-L140 HydrophobicContact CG-CD1 3.99Å; L136-L140 VanDerWaalsContact O-CB 3.26Å; L136-L140 WeakPolarHBondContact O-CB 3.43Å; L136-L140 WeakPolarHBondContact O-CG 3.48Å; L136-L140 PolarHBondContact O-N 3.23Å; Q138-L140 VanDerWaalsContact C-N 3.31Å; Q138-L140 PolarHBondContact O-N 3.39Å; L140-D142 VanDerWaalsContact C-N 3.26Å; L140-D142 PolarHBondContact O-N 3.33Å; L140-K143 PolarHBondContact O-N 3.41Å; L140-Y144 HydrophobicContact CD2-CD2 4.3Å; L140-Y144 PolarHBondContact O-N 3.26Å; L140-I150 HydrophobicContact CD1-CG1 4.42Å |
| 141 | A | 57.5 | Low | 53.4 | Low | 57 Ų | 57 | 113 Ų | 113 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.4 | -38.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G137 Q138 K143 | G137-A141 WeakPolarHBondContact O-CB 3.42Å; G137-A141 PolarHBondContact O-N 2.96Å; Q138-A141 PolarHBondContact O-N 3.3Å; A141-K143 VanDerWaalsContact C-N 3.29Å; A141-K143 PolarHBondContact O-N 2.92Å |
| 142 | D | 57.9 | Low | 53.5 | Low | 147 Ų | 147 | 112.2 Ų | 112.2 | 79% | 0.786 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.4 | -23.9 | 179.1 | -78.2 | -12.5 | 0 | 0 | 0 | 113.4 | Q138 L140 | Q138-D142 PolarHBondContact O-N 2.76Å; L140-D142 VanDerWaalsContact C-N 3.26Å; L140-D142 PolarHBondContact O-N 3.33Å |
| 143 | K | 53 | Low | 53.6 | Low | 158 Ų | 158 | 111.5 Ų | 111.5 | 69% | 0.687 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -107.2 | -30.1 | -177.6 | -78.3 | -171.6 | 174.2 | -178.8 | 0 | 115.9 | L140 A141 | L140-K143 PolarHBondContact O-N 3.41Å; A141-K143 VanDerWaalsContact C-N 3.29Å; A141-K143 PolarHBondContact O-N 2.92Å |
| 144 | Y | 47.4 | Very low | 53 | Low | 143 Ų | 143 | 109.2 Ų | 109.2 | 56% | 0.561 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -141.8 | 34.5 | -166.4 | -58.9 | -72.4 | 0 | 0 | 0 | 115.2 | L140 M146 I147 | L140-Y144 HydrophobicContact CD2-CD2 4.3Å; L140-Y144 PolarHBondContact O-N 3.26Å; Y144-M146 PolarHBondContact O-N 2.93Å; Y144-I147 PolarHBondContact O-N 2.92Å |
| 145 | A | 49.1 | Very low | 52.5 | Low | 91 Ų | 91 | 104.8 Ų | 104.8 | 75% | 0.752 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 146 | M | 49.6 | Very low | 52 | Low | 189 Ų | 189 | 106.7 Ų | 106.7 | 93% | 0.931 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | -2.5 | -176.8 | -81.8 | -156.2 | 174 | 0 | 0 | 117.1 | Y144 | Y144-M146 PolarHBondContact O-N 2.93Š|
| 147 | I | 56.1 | Low | 51.5 | Low | 127 Ų | 127 | 106.7 Ų | 106.7 | 65% | 0.651 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.2 | -28.1 | -168.4 | -50.1 | -178 | 0 | 0 | 0 | 114.8 | Y144 | Y144-I147 PolarHBondContact O-N 2.92Š|
| 148 | F | 45.2 | Very low | 50.9 | Low | 133 Ų | 133 | 111 Ų | 111 | 58% | 0.583 | 58% | 0.577 | S | S | * | * | trans | -134.5 | 127.3 | -174.2 | -62.2 | -77.7 | 0 | 0 | 0 | 113.6 | L153 | F148-L153 HydrophobicContact CB-CD1 3.77Å; F148-L153 HydrophobicContact CD1-CD1 4.41Å; F148-L153 HydrophobicContact CG-CD1 4.01Å | ||
| 149 | D | 55.7 | Low | 49.9 | Very low | 105 Ų | 105 | 109.7 Ų | 109.7 | 56% | 0.561 | 57% | 0.573 | S | S | * | * | trans | -74 | 126.4 | 163.3 | -172.6 | -12 | 0 | 0 | 0 | 107.8 | K151 T152 | D149-K151 PolarHBondContact O-N 2.98Å; D149-K151 VanDerWaalsContact O-N 3.08Å; D149-K151 PolarHBondContact OD1-N 3.38Å; D149-T152 WeakPolarHBondContact O-CB 3.46Å; D149-T152 PolarHBondContact O-N 3.38Å; D149-T152 PolarHBondContact O-OG1 3.32Å | ||
| 150 | I | 49.8 | Very low | 48.7 | Very low | 50 Ų | 50 | 105.6 Ų | 105.6 | 26% | 0.256 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -53.8 | -31.5 | -178.6 | -79.5 | 164.7 | 0 | 0 | 0 | 111.4 | Y133 L140 T152 L153 V154 | Y133-I150 HydrophobicContact CD1-CG2 4.28Å; Y133-I150 HydrophobicContact CE1-CG2 3.96Å; L140-I150 HydrophobicContact CD1-CG1 4.42Å; I150-T152 PolarHBondContact O-N 2.66Å; I150-L153 PolarHBondContact O-N 2.96Å; I150-L153 VanDerWaalsContact O-N 3.09Å; I150-V154 PolarHBondContact O-N 2.87Å; I150-V154 VanDerWaalsContact O-N 3.13Å |
| 151 | K | 51.1 | Low | 47.6 | Very low | 170 Ų | 170 | 107.8 Ų | 107.8 | 74% | 0.739 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.7 | -22.2 | 176.7 | -70.2 | -174.7 | 175.4 | -176.1 | 0 | 114 | D149 | D149-K151 PolarHBondContact O-N 2.98Å; D149-K151 VanDerWaalsContact O-N 3.08Å; D149-K151 PolarHBondContact OD1-N 3.38Å |
| 152 | T | 55.9 | Low | 46.2 | Very low | 110 Ų | 110 | 114.5 Ų | 114.5 | 68% | 0.675 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -82.8 | -22.3 | 174.8 | 2.1 | 0 | 0 | 0 | 0 | 112.8 | D149 I150 | D149-T152 WeakPolarHBondContact O-CB 3.46Å; D149-T152 PolarHBondContact O-N 3.38Å; D149-T152 PolarHBondContact O-OG1 3.32Å; I150-T152 PolarHBondContact O-N 2.66Å |
| 153 | L | 51 | Low | 44.7 | Very low | 105 Ų | 105 | 115.6 Ų | 115.6 | 55% | 0.55 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -96.8 | -28.5 | -173.6 | -113.8 | 150.6 | 0 | 0 | 0 | 113.1 | F148 I150 | F148-L153 HydrophobicContact CB-CD1 3.77Å; F148-L153 HydrophobicContact CD1-CD1 4.41Å; F148-L153 HydrophobicContact CG-CD1 4.01Å; I150-L153 PolarHBondContact O-N 2.96Å; I150-L153 VanDerWaalsContact O-N 3.09Å |
| 154 | V | 43.3 | Very low | 43.5 | Very low | 37 Ų | 37 | 117.2 Ų | 117.2 | 22% | 0.224 | 61% | 0.608 | C | S | . | * | S | Bend | trans | -125.7 | 98.9 | 172.8 | -174.6 | 0 | 0 | 0 | 0 | 106.9 | I150 L159 | I150-V154 PolarHBondContact O-N 2.87Å; I150-V154 VanDerWaalsContact O-N 3.13Å; V154-L159 HydrophobicContact CG1-CD1 3.87Å; V154-L159 HydrophobicContact CG1-CG 4.09Å |
| 155 | S | 46.3 | Very low | 42.7 | Very low | 36 Ų | 36 | 114.2 Ų | 114.2 | 25% | 0.252 | 62% | 0.62 | S | S | . | * | trans | -71.4 | 146.4 | 173.8 | 70.2 | 0 | 0 | 0 | 0 | 108.9 | S157 D158 | S155-S157 VanDerWaalsContact CB-OG 3.23Å; S155-S157 WeakPolarHBondContact CB-OG 3.39Å; S155-S157 PolarHBondContact O-N 3.33Å; S155-S157 VanDerWaalsContact O-N 3.08Å; S155-S157 PolarHBondContact OG-OG 2.98Å; S155-D158 WeakPolarHBondContact CB-OD2 3.46Å; S155-D158 PolarHBondContact N-OD2 3.41Å; S155-D158 WeakPolarHBondContact O-CB 3.46Å; S155-D158 PolarHBondContact O-N 3.46Å; S155-D158 PolarHBondContact OG-N 3.42Å; S155-D158 PolarHBondContact OG-OD1 3.01Å; S155-D158 PolarHBondContact OG-OD2 2.93Å | ||
| 156 | E | 46.1 | Very low | 41.6 | Very low | 166 Ų | 166 | 116 Ų | 116 | 78% | 0.776 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -56.5 | -25.1 | 172 | -85.3 | -175.5 | 157.5 | 0 | 0 | 111.5 | D158 L159 S160 | E156-D158 VanDerWaalsContact C-N 3.35Å; E156-D158 PolarHBondContact O-N 3.26Å; E156-L159 PolarHBondContact O-N 3.44Å; E156-S160 WeakPolarHBondContact O-CB 3.34Å; E156-S160 PolarHBondContact O-N 3.17Å; E156-S160 PolarHBondContact O-OG 2.76Å |
| 157 | S | 42.8 | Very low | 40.5 | Very low | 79 Ų | 79 | 111.8 Ų | 111.8 | 55% | 0.552 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59.6 | -37.7 | 169.9 | 24.7 | 0 | 0 | 0 | 0 | 113.8 | S155 L159 S160 | S155-S157 VanDerWaalsContact CB-OG 3.23Å; S155-S157 WeakPolarHBondContact CB-OG 3.39Å; S155-S157 PolarHBondContact O-N 3.33Å; S155-S157 VanDerWaalsContact O-N 3.08Å; S155-S157 PolarHBondContact OG-OG 2.98Å; S157-L159 PolarHBondContact O-N 2.81Å; S157-S160 VanDerWaalsContact CA-OG 3.27Å; S157-S160 WeakPolarHBondContact CA-OG 3.25Å; S157-S160 PolarHBondContact O-N 3.5Å |
| 158 | D | 42.7 | Very low | 39.1 | Very low | 107 Ų | 107 | 111.5 Ų | 111.5 | 57% | 0.572 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.3 | -24.2 | -178.9 | -58.7 | -42 | 0 | 0 | 0 | 112.1 | S155 E156 | S155-D158 WeakPolarHBondContact CB-OD2 3.46Å; S155-D158 PolarHBondContact N-OD2 3.41Å; S155-D158 WeakPolarHBondContact O-CB 3.46Å; S155-D158 PolarHBondContact O-N 3.46Å; S155-D158 PolarHBondContact OG-N 3.42Å; S155-D158 PolarHBondContact OG-OD1 3.01Å; S155-D158 PolarHBondContact OG-OD2 2.93Å; E156-D158 VanDerWaalsContact C-N 3.35Å; E156-D158 PolarHBondContact O-N 3.26Å |
| 159 | L | 38 | Very low | 38.2 | Very low | 97 Ų | 97 | 112.5 Ų | 112.5 | 51% | 0.508 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -100.9 | -7.1 | 176.8 | -65.4 | 170.6 | 0 | 0 | 0 | 113.4 | Y133 V154 E156 S157 | Y133-L159 HydrophobicContact CE2-CD1 3.72Å; V154-L159 HydrophobicContact CG1-CD1 3.87Å; V154-L159 HydrophobicContact CG1-CG 4.09Å; E156-L159 PolarHBondContact O-N 3.44Å; S157-L159 PolarHBondContact O-N 2.81Å |
| 160 | S | 30.3 | Very low | 36.9 | Very low | 48 Ų | 48 | 114.3 Ų | 114.3 | 34% | 0.336 | 64% | 0.637 | S | S | . | * | trans | -114.3 | 35.8 | -175.1 | 61.1 | 0 | 0 | 0 | 0 | 113.4 | E156 S157 F162 Q163 | E156-S160 WeakPolarHBondContact O-CB 3.34Å; E156-S160 PolarHBondContact O-N 3.17Å; E156-S160 PolarHBondContact O-OG 2.76Å; S157-S160 VanDerWaalsContact CA-OG 3.27Å; S157-S160 WeakPolarHBondContact CA-OG 3.25Å; S157-S160 PolarHBondContact O-N 3.5Å; S160-F162 PolarHBondContact O-N 2.86Å; S160-Q163 PolarHBondContact O-N 3.48Å | ||
| 161 | C | 30.7 | Very low | 36.2 | Very low | 108 Ų | 108 | 117.9 Ų | 117.9 | 73% | 0.73 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -1.4 | 173.2 | -108.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 162 | F | 28.6 | Very low | 35.2 | Very low | 199 Ų | 199 | 118.4 Ų | 118.4 | 87% | 0.873 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.9 | 70.3 | 166.5 | -65.5 | -80.2 | 0 | 0 | 0 | 112.3 | S160 | S160-F162 PolarHBondContact O-N 2.86Š|
| 163 | Q | 26.3 | Very low | 33.9 | Very low | 169 Ų | 169 | 119.4 Ų | 119.4 | 79% | 0.79 | 67% | 0.674 | S | S | * | * | trans | -125.4 | 110.9 | 153 | -78.1 | -166.3 | -16.1 | 0 | 0 | 110.4 | S160 G165 | S160-Q163 PolarHBondContact O-N 3.48Å; Q163-G165 PolarHBondContact O-N 3.31Å | ||
| 164 | E | 28.3 | Very low | 32.8 | Very low | 193 Ų | 193 | 123.9 Ų | 123.9 | 90% | 0.902 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -52 | 118.1 | 177.9 | -63.9 | -179.3 | 139.3 | 0 | 0 | 110.5 | T166 | E164-T166 PolarHBondContact O-N 3.4Š|
| 165 | G | 29.5 | Very low | 32.2 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 81% | 0.814 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 119.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q163 | Q163-G165 PolarHBondContact O-N 3.31Š|
| 166 | T | 25.6 | Very low | 31.3 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 151.5 | 164.2 | 39.1 | 0 | 0 | 0 | 0 | 112.4 | E164 | E164-T166 PolarHBondContact O-N 3.4Š|
| 167 | S | 27 | Very low | 30.5 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | 80.1 | 106.6 | 161.7 | 62 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 168 | T | 26.7 | Very low | 29.9 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | 67.2 | 124.4 | 134.1 | 56 | 0 | 0 | 0 | 0 | 120 | ||||
| 169 | D | 26.7 | Very low | 29.8 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | 73.9 | 89.1 | 151 | -53.7 | -19.5 | 0 | 0 | 0 | 118.1 | ||||
| 170 | D | 28.9 | Very low | 29.9 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | 156.4 | 110.2 | 107.9 | -125.4 | -21 | 0 | 0 | 0 | 110.1 | Q172 | D170-Q172 VanDerWaalsContact C-N 3.32Å; D170-Q172 PolarHBondContact O-N 3.49Å; D170-Q172 VanDerWaalsContact O-N 3.14Å | |||
| 171 | P | 34.1 | Very low | 30.2 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 21 | -167.1 | 32.1 | -33.6 | 0 | 0 | 0 | 115.9 | ||
| 172 | Q | 30.4 | Very low | 30.9 | Very low | 182 Ų | 182 | 153 Ų | 153 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 11.4 | -172.9 | -73.9 | -162.3 | -9.9 | 0 | 0 | 118.4 | D170 | D170-Q172 VanDerWaalsContact C-N 3.32Å; D170-Q172 PolarHBondContact O-N 3.49Å; D170-Q172 VanDerWaalsContact O-N 3.14Å |
| 173 | T | 28.8 | Very low | 31.6 | Very low | 130 Ų | 130 | 149.8 Ų | 149.8 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | trans | -124.2 | 20.9 | 174.4 | 49.9 | 0 | 0 | 0 | 0 | 115.8 | K175 | T173-K175 PolarHBondContact O-N 3.11Å; T173-K175 VanDerWaalsContact O-N 3.08Å | ||
| 174 | K | 28.5 | Very low | 32.5 | Very low | 200 Ų | 200 | 147.6 Ų | 147.6 | 87% | 0.87 | 76% | 0.755 | S | S | * | * | trans | -82.2 | 80.3 | 166.1 | -71.5 | -171.8 | 179.5 | -177.2 | 0 | 110.7 | R176 | K174-R176 VanDerWaalsContact C-N 3.28Å; K174-R176 PolarHBondContact O-N 3.06Å | ||
| 175 | K | 29 | Very low | 33.3 | Very low | 202 Ų | 202 | 142.3 Ų | 142.3 | 88% | 0.878 | 74% | 0.74 | S | S | * | * | trans | -61.3 | 92.3 | 161.2 | -78.7 | -176 | 178.2 | 178.5 | 0 | 108 | T173 K177 | T173-K175 PolarHBondContact O-N 3.11Å; T173-K175 VanDerWaalsContact O-N 3.08Å; K175-K177 PolarHBondContact O-N 3.43Å | ||
| 176 | R | 28.3 | Very low | 34.1 | Very low | 239 Ų | 239 | 144.5 Ų | 144.5 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | trans | -55.9 | 105.2 | 169.1 | -76.6 | -178.6 | 170.2 | -178.3 | -3.5 | 108 | K174 K178 | K174-R176 VanDerWaalsContact C-N 3.28Å; K174-R176 PolarHBondContact O-N 3.06Å; R176-K178 PolarHBondContact O-N 3.43Å | ||
| 177 | K | 28.6 | Very low | 35.2 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 51% | 0.513 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 131.1 | 169.8 | -72.5 | -166.5 | 175.8 | -154.6 | 0 | 107.7 | E109 E112 K175 | E109-K177 PolarHBondContact O-NZ 2.87Å; E112-K177 HydrophobicContact CG-CB 4.35Å; K175-K177 PolarHBondContact O-N 3.43Å |
| 178 | K | 31.6 | Very low | 36.3 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 77% | 0.774 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 130.5 | -171 | -72.9 | -180 | 175.6 | -179.4 | 0 | 109.6 | R176 | R176-K178 PolarHBondContact O-N 3.43Š|
| 179 | Q | 38.9 | Very low | 37.5 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 136.9 | 158.1 | -78.2 | 178.4 | -20.8 | 0 | 0 | 109 | Q181 | Q179-Q181 PolarHBondContact O-N 3.5Š|
| 180 | L | 41.7 | Very low | 38.9 | Very low | 71 Ų | 71 | 141.8 Ų | 141.8 | 37% | 0.372 | 69% | 0.694 | S | S | . | * | trans | -58.5 | 102 | -176.9 | -81.5 | 164.9 | 0 | 0 | 0 | 111.7 | N111 F182 Y212 | N111-L180 VanDerWaalsContact OD1-CD2 3.23Å; N111-L180 WeakPolarHBondContact OD1-CD2 3.47Å; L180-F182 HydrophobicContact CB-CD2 4.12Å; L180-F182 HydrophobicContact CB-CE2 4.2Å; L180-F182 HydrophobicContact CD1-CE2 4.01Å; L180-F182 HydrophobicContact CD2-CD2 3.77Å; L180-F182 HydrophobicContact CD2-CE2 3.15Å; L180-F182 HydrophobicContact CD2-CZ 3.72Å; L180-F182 HydrophobicContact CG-CD2 4.38Å; L180-F182 HydrophobicContact CG-CE2 3.95Å; L180-Y212 HydrophobicContact CD1-CD1 3.83Å; L180-Y212 HydrophobicContact CD1-CE1 3.86Å | ||
| 181 | Q | 35.9 | Very low | 40.6 | Very low | 191 Ų | 191 | 137.1 Ų | 137.1 | 89% | 0.893 | 67% | 0.668 | S | S | * | * | trans | -97.6 | 107.3 | 157.9 | -79.8 | -175.4 | -17.9 | 0 | 0 | 107.6 | Q179 | Q179-Q181 PolarHBondContact O-N 3.5Š| ||
| 182 | F | 46.4 | Very low | 42 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 54% | 0.544 | 66% | 0.658 | S | S | . | * | trans | -95.6 | 126.6 | 179.7 | -94.1 | -75.9 | 0 | 0 | 0 | 111.8 | L180 L184 | L180-F182 HydrophobicContact CB-CD2 4.12Å; L180-F182 HydrophobicContact CB-CE2 4.2Å; L180-F182 HydrophobicContact CD1-CE2 4.01Å; L180-F182 HydrophobicContact CD2-CD2 3.77Å; L180-F182 HydrophobicContact CD2-CE2 3.15Å; L180-F182 HydrophobicContact CD2-CZ 3.72Å; L180-F182 HydrophobicContact CG-CD2 4.38Å; L180-F182 HydrophobicContact CG-CE2 3.95Å; F182-L184 PolarHBondContact O-N 2.68Å | ||
| 183 | N | 41.9 | Very low | 43.7 | Very low | 131 Ų | 131 | 131 Ų | 131 | 70% | 0.701 | 65% | 0.646 | S | S | * | * | trans | -81.3 | 104.8 | 173.8 | -87.4 | -20 | 0 | 0 | 0 | 110 | S185 | N183-S185 PolarHBondContact O-N 3.18Š| ||
| 184 | L | 44.9 | Very low | 45.6 | Very low | 122 Ų | 122 | 131 Ų | 131 | 64% | 0.639 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -58.9 | -9.8 | 167.9 | -87.7 | 148.1 | 0 | 0 | 0 | 113.6 | F182 N186 L187 F205 | F182-L184 PolarHBondContact O-N 2.68Å; L184-N186 PolarHBondContact O-N 2.98Å; L184-N186 VanDerWaalsContact O-N 3.12Å; L184-L187 PolarHBondContact O-N 3.44Å; L184-F205 HydrophobicContact CD2-CB 4.36Å; L184-F205 HydrophobicContact CD2-CD1 3.62Å; L184-F205 HydrophobicContact CD2-CE1 4.05Å; L184-F205 HydrophobicContact CD2-CG 4.01Å |
| 185 | S | 45.3 | Very low | 47.8 | Very low | 82 Ų | 82 | 123 Ų | 123 | 57% | 0.573 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -64.4 | -16.1 | -172.7 | 56.9 | 0 | 0 | 0 | 0 | 115.2 | N183 | N183-S185 PolarHBondContact O-N 3.18Š|
| 186 | N | 46.8 | Very low | 50 | Low | 126 Ų | 126 | 115.4 Ų | 115.4 | 67% | 0.674 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -88 | -6.5 | -174.2 | -69 | 0.6 | 0 | 0 | 0 | 114.4 | L184 | L184-N186 PolarHBondContact O-N 2.98Å; L184-N186 VanDerWaalsContact O-N 3.12Å |
| 187 | L | 49.1 | Very low | 52.3 | Low | 36 Ų | 36 | 105.2 Ų | 105.2 | 19% | 0.188 | 54% | 0.542 | C | S | . | . | trans | -105 | 84.6 | 175.3 | -127.5 | 90.2 | 0 | 0 | 0 | 109.7 | L184 M189 F205 F241 | L184-L187 PolarHBondContact O-N 3.44Å; L187-M189 HydrophobicContact CD2-CG 3.62Å; L187-M189 HydrophobicContact CD2-SD 4.09Å; L187-M189 HydrophobicContact CG-CG 4.14Å; L187-M189 PolarHBondContact O-N 2.87Å; L187-F205 HydrophobicContact CD2-CE1 3.94Å; L187-F205 HydrophobicContact CD2-CZ 3.59Å; L187-F241 HydrophobicContact CD1-CB 4.4Å; L187-F241 HydrophobicContact CD1-CD2 4.01Å; L187-F241 HydrophobicContact CD1-CG 4.45Å | ||
| 188 | E | 49.3 | Very low | 54.6 | Low | 192 Ų | 192 | 100 Ų | 100 | 90% | 0.897 | 52% | 0.522 | S | S | * | . | trans | -73.1 | 77.8 | 166.3 | -75 | -168.4 | 174.4 | 0 | 0 | 109.5 | N190 | E188-N190 PolarHBondContact O-N 3.06Š| ||
| 189 | M | 52.8 | Low | 57 | Low | 51 Ų | 51 | 92 Ų | 92 | 25% | 0.251 | 49% | 0.488 | S | S | . | . | trans | -80.9 | 106.4 | 169.7 | -69.8 | -60.4 | -52.6 | 0 | 0 | 108.8 | L187 I191 C235 N237 | L187-M189 HydrophobicContact CD2-CG 3.62Å; L187-M189 HydrophobicContact CD2-SD 4.09Å; L187-M189 HydrophobicContact CG-CG 4.14Å; L187-M189 PolarHBondContact O-N 2.87Å; M189-I191 HydrophobicContact CB-CD1 4.39Å; M189-I191 HydrophobicContact CB-CG1 4.35Å; M189-I191 HydrophobicContact CE-CD1 3.21Å; M189-I191 HydrophobicContact CE-CG1 3.73Å; M189-I191 PolarHBondContact O-N 3.23Å; M189-C235 WeakPolarHBondContact CE-SG 3.27Å; M189-N237 HydrophobicContact SD-CB 3.79Å | ||
| 190 | N | 56.3 | Low | 59.1 | Low | 168 Ų | 168 | 84.2 Ų | 84.2 | 90% | 0.898 | 45% | 0.452 | S | S | * | . | trans | -73.5 | 44.1 | 174.4 | -127.2 | -1.4 | 0 | 0 | 0 | 111.8 | E188 | E188-N190 PolarHBondContact O-N 3.06Š| ||
| 191 | I | 64.4 | Low | 61 | Low | 45 Ų | 45 | 81.1 Ų | 81.1 | 23% | 0.231 | 44% | 0.436 | C | S | . | . | trans | -100.2 | 125.6 | 179.3 | -59.4 | 175 | 0 | 0 | 0 | 108.3 | M189 S193 S195 V197 | M189-I191 HydrophobicContact CB-CD1 4.39Å; M189-I191 HydrophobicContact CB-CG1 4.35Å; M189-I191 HydrophobicContact CE-CD1 3.21Å; M189-I191 HydrophobicContact CE-CG1 3.73Å; M189-I191 PolarHBondContact O-N 3.23Å; I191-S193 PolarHBondContact O-N 2.92Å; I191-S195 WeakPolarHBondContact CG2-OG 3.08Å; I191-V197 HydrophobicContact CD1-CG1 4.08Å; I191-V197 HydrophobicContact CG2-CB 4.45Å | ||
| 192 | P | 63.1 | Low | 63.2 | Low | 91 Ų | 91 | 78.6 Ų | 78.6 | 59% | 0.591 | 42% | 0.422 | S | S | * | . | trans | -59.1 | 125.8 | 173.5 | 20.8 | -28.9 | 0 | 0 | 0 | 110.2 | D194 S195 | P192-D194 PolarHBondContact O-N 3.12Å; P192-S195 WeakPolarHBondContact O-CB 3.27Å; P192-S195 PolarHBondContact O-N 3.08Å; P192-S195 PolarHBondContact O-OG 3.34Å | ||
| 193 | S | 65.5 | Low | 65 | Low | 86 Ų | 86 | 73 Ų | 73 | 60% | 0.601 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -28.3 | -177.8 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | I191 | I191-S193 PolarHBondContact O-N 2.92Š|
| 194 | D | 68.2 | Low | 67.1 | Low | 130 Ų | 130 | 66.8 Ų | 66.8 | 70% | 0.695 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 1.8 | -173.4 | -59.2 | -5.8 | 0 | 0 | 0 | 112.6 | P45 P192 | P45-D194 WeakPolarHBondContact CB-O 3.4Å; P45-D194 WeakPolarHBondContact CG-O 3.4Å; P192-D194 PolarHBondContact O-N 3.12Å |
| 195 | S | 75.9 | Confident | 69 | Low | 33 Ų | 33 | 63.1 Ų | 63.1 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -81.8 | 154.8 | 171.6 | 66.3 | 0 | 0 | 0 | 0 | 111.8 | I191 P192 V197 G198 V199 | I191-S195 WeakPolarHBondContact CG2-OG 3.08Å; P192-S195 WeakPolarHBondContact O-CB 3.27Å; P192-S195 PolarHBondContact O-N 3.08Å; P192-S195 PolarHBondContact O-OG 3.34Å; S195-V197 PolarHBondContact O-N 3.21Å; S195-G198 WeakPolarHBondContact O-CA 3.27Å; S195-G198 PolarHBondContact O-N 2.92Å; S195-G198 PolarHBondContact OG-N 3.24Å; S195-V199 PolarHBondContact O-N 3.38Å |
| 196 | F | 75.7 | Confident | 70.8 | Confident | 42 Ų | 42 | 61.8 Ų | 61.8 | 18% | 0.184 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -51.5 | -42.1 | 172.6 | -76.3 | -78.3 | 0 | 0 | 0 | 112.2 | V42 P45 L48 C81 V200 | V42-F196 HydrophobicContact CG1-CE1 4.17Å; P45-F196 HydrophobicContact CB-CD1 4.46Å; P45-F196 HydrophobicContact CG-CD1 4.28Å; P45-F196 HydrophobicContact CG-CD2 3.79Å; P45-F196 HydrophobicContact CG-CE1 4.31Å; P45-F196 HydrophobicContact CG-CE2 3.8Å; P45-F196 HydrophobicContact CG-CG 4.03Å; P45-F196 HydrophobicContact CG-CZ 4.08Å; L48-F196 HydrophobicContact CB-CD1 4.42Å; L48-F196 HydrophobicContact CB-CE1 4.44Å; L48-F196 HydrophobicContact CD2-CD1 3.7Å; L48-F196 HydrophobicContact CD2-CE1 4.42Å; C81-F196 HydrophobicContact CB-CD1 4.14Å; C81-F196 HydrophobicContact CB-CE1 4.32Å; F196-V200 WeakPolarHBondContact O-CG2 3.2Å; F196-V200 PolarHBondContact O-N 3.48Å; F196-V200 VanDerWaalsContact O-N 3.12Å |
| 197 | V | 76.6 | Confident | 72.8 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 16% | 0.158 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 177.6 | -174 | 0 | 0 | 0 | 0 | 111.5 | L82 I191 S195 V200 S201 | L82-V197 HydrophobicContact CD2-CG2 3.99Å; I191-V197 HydrophobicContact CD1-CG1 4.08Å; I191-V197 HydrophobicContact CG2-CB 4.45Å; S195-V197 PolarHBondContact O-N 3.21Å; V197-V200 PolarHBondContact O-N 3.5Å; V197-S201 WeakPolarHBondContact O-CB 3.39Å; V197-S201 PolarHBondContact O-N 3.37Å; V197-S201 PolarHBondContact O-OG 2.93Å |
| 198 | G | 77.4 | Confident | 74.5 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 8% | 0.082 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S195 S201 K202 | S195-G198 WeakPolarHBondContact O-CA 3.27Å; S195-G198 PolarHBondContact O-N 2.92Å; S195-G198 PolarHBondContact OG-N 3.24Å; G198-S201 PolarHBondContact O-N 3.36Å; G198-K202 PolarHBondContact O-N 3.48Å |
| 199 | V | 81.4 | Confident | 76.2 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -49.4 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | P45 L48 N49 L52 S195 S201 K202 F203 | P45-V199 HydrophobicContact CB-CG2 4.1Å; L48-V199 HydrophobicContact CB-CG1 4.4Å; L48-V199 HydrophobicContact CD2-CG1 4.2Å; L48-V199 HydrophobicContact CG-CG1 4.03Å; N49-V199 HydrophobicContact CB-CG1 3.59Å; N49-V199 HydrophobicContact CB-CG2 4.25Å; L52-V199 HydrophobicContact CD1-CG1 4.02Å; S195-V199 PolarHBondContact O-N 3.38Å; V199-S201 VanDerWaalsContact C-N 3.29Å; V199-S201 PolarHBondContact O-N 3.27Å; V199-K202 PolarHBondContact O-N 3.3Å; V199-F203 PolarHBondContact O-N 2.99Å |
| 200 | V | 83.3 | Confident | 77.8 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 177.5 | 175.4 | 0 | 0 | 0 | 0 | 111 | L48 L82 F196 V197 F203 C204 V233 | L48-V200 HydrophobicContact CD2-CG2 3.92Å; L82-V200 HydrophobicContact CD1-CG2 4.5Å; F196-V200 WeakPolarHBondContact O-CG2 3.2Å; F196-V200 PolarHBondContact O-N 3.48Å; F196-V200 VanDerWaalsContact O-N 3.12Å; V197-V200 PolarHBondContact O-N 3.5Å; V200-F203 WeakPolarHBondContact O-CB 3.29Å; V200-F203 PolarHBondContact O-N 3.38Å; V200-C204 PolarHBondContact O-N 3.11Å; V200-C204 PolarHBondContact O-SG 2.78Å; V200-V233 HydrophobicContact CG1-CG2 3.7Å |
| 201 | S | 80.6 | Confident | 79.2 | Confident | 7 Ų | 7 | 40.1 Ų | 40.1 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.7 | -45.9 | 178.1 | -57.8 | 0 | 0 | 0 | 0 | 112 | V197 G198 V199 F203 C204 F205 | V197-S201 WeakPolarHBondContact O-CB 3.39Å; V197-S201 PolarHBondContact O-N 3.37Å; V197-S201 PolarHBondContact O-OG 2.93Å; G198-S201 PolarHBondContact O-N 3.36Å; V199-S201 VanDerWaalsContact C-N 3.29Å; V199-S201 PolarHBondContact O-N 3.27Å; S201-F203 VanDerWaalsContact C-N 3.28Å; S201-F203 PolarHBondContact O-N 2.99Å; S201-C204 WeakPolarHBondContact O-CB 3.32Å; S201-C204 PolarHBondContact O-N 3.41Å; S201-F205 WeakPolarHBondContact O-CD2 3.22Å; S201-F205 PolarHBondContact O-N 3.14Å |
| 202 | K | 81.8 | Confident | 80.2 | Confident | 138 Ų | 138 | 40.2 Ų | 40.2 | 60% | 0.6 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -59.3 | -40.3 | 174.5 | -173.8 | 177.2 | -179.5 | 178.7 | 0 | 112.1 | G198 V199 F205 T206 | G198-K202 PolarHBondContact O-N 3.48Å; V199-K202 PolarHBondContact O-N 3.3Å; K202-F205 PolarHBondContact O-N 3.41Å; K202-T206 PolarHBondContact O-N 3.36Å; K202-T206 PolarHBondContact O-OG1 3.44Å |
| 203 | F | 85.3 | Confident | 81 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.4 | -46.8 | 175.8 | -173.5 | -115.7 | 0 | 0 | 0 | 111.7 | L52 Q56 F59 I74 V199 V200 S201 F205 T206 L207 L229 | L52-F203 HydrophobicContact CB-CD1 4.48Å; L52-F203 HydrophobicContact CB-CD2 3.88Å; L52-F203 HydrophobicContact CB-CE2 3.98Å; L52-F203 HydrophobicContact CB-CG 4.14Å; L52-F203 HydrophobicContact CB-CZ 4.31Å; L52-F203 HydrophobicContact CD1-CB 4Å; L52-F203 HydrophobicContact CD1-CD1 4.14Å; L52-F203 HydrophobicContact CD1-CG 3.98Å; L52-F203 HydrophobicContact CD2-CD1 4.1Å; L52-F203 HydrophobicContact CD2-CE1 4Å; L52-F203 HydrophobicContact CD2-CZ 4.38Å; L52-F203 HydrophobicContact CG-CD1 4.48Å; L52-F203 HydrophobicContact CG-CG 4.45Å; Q56-F203 HydrophobicContact CB-CE2 3.95Å; Q56-F203 HydrophobicContact CB-CZ 4.47Å; Q56-F203 HydrophobicContact CG-CE2 3.94Å; F59-F203 HydrophobicContact CE2-CZ 4.19Å; I74-F203 HydrophobicContact CD1-CE1 3.91Å; I74-F203 HydrophobicContact CD1-CZ 3.74Å; I74-F203 HydrophobicContact CG2-CE1 4.21Å; V199-F203 PolarHBondContact O-N 2.99Å; V200-F203 WeakPolarHBondContact O-CB 3.29Å; V200-F203 PolarHBondContact O-N 3.38Å; S201-F203 VanDerWaalsContact C-N 3.28Å; S201-F203 PolarHBondContact O-N 2.99Å; F203-F205 PolarHBondContact O-N 2.81Å; F203-T206 WeakPolarHBondContact O-CB 3.2Å; F203-T206 PolarHBondContact O-N 3.47Å; F203-T206 VanDerWaalsContact O-N 3.08Å; F203-L207 HydrophobicContact CD1-CD1 3.86Å; F203-L207 HydrophobicContact CD1-CG 4.43Å; F203-L207 HydrophobicContact CE1-CD1 3.56Å; F203-L207 HydrophobicContact CE1-CD2 4.48Å; F203-L207 HydrophobicContact CE1-CG 4.18Å; F203-L207 HydrophobicContact CZ-CD1 4.12Å; F203-L207 HydrophobicContact CZ-CD2 4.2Å; F203-L207 HydrophobicContact CZ-CG 4.3Å; F203-L207 WeakPolarHBondContact O-CG 3.46Å; F203-L207 PolarHBondContact O-N 3.21Å; F203-L229 HydrophobicContact CD1-CD1 3.96Å; F203-L229 HydrophobicContact CE1-CD1 4.04Å |
| 204 | C | 85.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.9 | -43.9 | 175.4 | -72.7 | 0 | 0 | 0 | 0 | 112.7 | V200 S201 T206 L207 S208 L238 L242 | V200-C204 PolarHBondContact O-N 3.11Å; V200-C204 PolarHBondContact O-SG 2.78Å; S201-C204 WeakPolarHBondContact O-CB 3.32Å; S201-C204 PolarHBondContact O-N 3.41Å; C204-T206 VanDerWaalsContact C-N 3.27Å; C204-T206 PolarHBondContact O-N 3.5Å; C204-L207 WeakPolarHBondContact O-CB 3.33Å; C204-L207 PolarHBondContact O-N 2.89Å; C204-S208 PolarHBondContact O-N 3.46Å; C204-S208 PolarHBondContact O-OG 3Å; C204-S208 VanDerWaalsContact O-OG 3.05Å; C204-L238 HydrophobicContact CB-CD1 4.31Å; C204-L238 HydrophobicContact CB-CD2 3.98Å; C204-L242 HydrophobicContact CB-CD1 4.05Å; C204-L242 HydrophobicContact CB-CD2 4.16Å |
| 205 | F | 84.2 | Confident | 81.9 | Confident | 44 Ų | 44 | 31.8 Ų | 31.8 | 19% | 0.193 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.2 | -37.9 | 175.4 | -71.8 | -62.4 | 0 | 0 | 0 | 112.9 | L184 L187 S201 K202 F203 S208 S209 L238 F241 | L184-F205 HydrophobicContact CD2-CB 4.36Å; L184-F205 HydrophobicContact CD2-CD1 3.62Å; L184-F205 HydrophobicContact CD2-CE1 4.05Å; L184-F205 HydrophobicContact CD2-CG 4.01Å; L187-F205 HydrophobicContact CD2-CE1 3.94Å; L187-F205 HydrophobicContact CD2-CZ 3.59Å; S201-F205 WeakPolarHBondContact O-CD2 3.22Å; S201-F205 PolarHBondContact O-N 3.14Å; K202-F205 PolarHBondContact O-N 3.41Å; F203-F205 PolarHBondContact O-N 2.81Å; F205-S208 PolarHBondContact O-N 3.1Å; F205-S209 PolarHBondContact O-N 2.58Å; F205-S209 VanDerWaalsContact O-N 3.13Å; F205-L238 HydrophobicContact CE1-CD1 4.26Å; F205-L238 HydrophobicContact CE2-CD1 4.36Å; F205-L238 HydrophobicContact CZ-CD1 4.02Å; F205-F241 HydrophobicContact CD1-CD1 4.19Å; F205-F241 AromaticContact CD1-CE1 3.45Å; F205-F241 HydrophobicContact CD1-CE1 3.45Å; F205-F241 VanDerWaalsContact CD1-CE1 3.45Å; F205-F241 AromaticContact CD1-CZ 3.74Å; F205-F241 HydrophobicContact CD1-CZ 3.74Å; F205-F241 AromaticContact CE1-CD1 3.9Å; F205-F241 HydrophobicContact CE1-CD1 3.9Å; F205-F241 AromaticContact CE1-CE1 3.54Å; F205-F241 HydrophobicContact CE1-CE1 3.54Å; F205-F241 HydrophobicContact CE1-CE2 4.35Å; F205-F241 HydrophobicContact CE1-CG 4.45Å; F205-F241 AromaticContact CE1-CZ 3.78Å; F205-F241 HydrophobicContact CE1-CZ 3.78Å |
| 206 | T | 84.8 | Confident | 82.3 | Confident | 54 Ų | 54 | 33.1 Ų | 33.1 | 33% | 0.331 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68.3 | -39.2 | 178.1 | -47.8 | 0 | 0 | 0 | 0 | 110.7 | K202 F203 C204 S209 N210 | K202-T206 PolarHBondContact O-N 3.36Å; K202-T206 PolarHBondContact O-OG1 3.44Å; F203-T206 WeakPolarHBondContact O-CB 3.2Å; F203-T206 PolarHBondContact O-N 3.47Å; F203-T206 VanDerWaalsContact O-N 3.08Å; C204-T206 VanDerWaalsContact C-N 3.27Å; C204-T206 PolarHBondContact O-N 3.5Å; T206-S209 WeakPolarHBondContact O-CB 3.27Å; T206-S209 PolarHBondContact O-N 2.89Å; T206-N210 PolarHBondContact O-N 2.95Å; T206-N210 VanDerWaalsContact O-N 3.16Å |
| 207 | L | 87.5 | Confident | 82.7 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.3 | -38 | 173.4 | -65.3 | 174.9 | 0 | 0 | 0 | 112.2 | F59 F203 C204 S209 N210 L211 A222 A225 L226 L229 | F59-L207 HydrophobicContact CD2-CD2 4.28Å; F59-L207 HydrophobicContact CE2-CD2 4.48Å; F203-L207 HydrophobicContact CD1-CD1 3.86Å; F203-L207 HydrophobicContact CD1-CG 4.43Å; F203-L207 HydrophobicContact CE1-CD1 3.56Å; F203-L207 HydrophobicContact CE1-CD2 4.48Å; F203-L207 HydrophobicContact CE1-CG 4.18Å; F203-L207 HydrophobicContact CZ-CD1 4.12Å; F203-L207 HydrophobicContact CZ-CD2 4.2Å; F203-L207 HydrophobicContact CZ-CG 4.3Å; F203-L207 WeakPolarHBondContact O-CG 3.46Å; F203-L207 PolarHBondContact O-N 3.21Å; C204-L207 WeakPolarHBondContact O-CB 3.33Å; C204-L207 PolarHBondContact O-N 2.89Å; L207-S209 VanDerWaalsContact C-N 3.29Å; L207-S209 PolarHBondContact O-N 3.47Å; L207-N210 WeakPolarHBondContact O-CB 3.46Å; L207-N210 PolarHBondContact O-N 3.41Å; L207-L211 PolarHBondContact O-N 3.35Å; L207-A222 HydrophobicContact CD2-CB 4.45Å; L207-A225 HydrophobicContact CD1-CB 3.65Å; L207-A225 HydrophobicContact CD2-CB 4.06Å; L207-A225 HydrophobicContact CG-CB 4.5Å; L207-L226 HydrophobicContact CB-CD1 4.32Å; L207-L226 HydrophobicContact CB-CD2 3.94Å; L207-L226 HydrophobicContact CB-CG 4.02Å; L207-L226 HydrophobicContact CD1-CD2 3.99Å; L207-L226 HydrophobicContact CD1-CG 4.24Å; L207-L229 HydrophobicContact CD1-CD1 3.87Å |
| 208 | S | 85.5 | Confident | 83.1 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.5 | -37.1 | 174.2 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | C204 F205 N210 L211 Y212 L242 | C204-S208 PolarHBondContact O-N 3.46Å; C204-S208 PolarHBondContact O-OG 3Å; C204-S208 VanDerWaalsContact O-OG 3.05Å; F205-S208 PolarHBondContact O-N 3.1Å; S208-N210 VanDerWaalsContact C-N 3.33Å; S208-L211 WeakPolarHBondContact O-CB 3.42Å; S208-L211 PolarHBondContact O-N 3.25Å; S208-Y212 VanDerWaalsContact O-CD2 3.3Å; S208-Y212 WeakPolarHBondContact O-CD2 3.25Å; S208-L242 WeakPolarHBondContact OG-CD2 3.45Å |
| 209 | S | 84.7 | Confident | 83.6 | Confident | 86 Ų | 86 | 31.1 Ų | 31.1 | 60% | 0.601 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -64.9 | -38.4 | 172.1 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | F205 T206 L207 L211 Y212 | F205-S209 PolarHBondContact O-N 2.58Å; F205-S209 VanDerWaalsContact O-N 3.13Å; T206-S209 WeakPolarHBondContact O-CB 3.27Å; T206-S209 PolarHBondContact O-N 2.89Å; L207-S209 VanDerWaalsContact C-N 3.29Å; L207-S209 PolarHBondContact O-N 3.47Å; S209-L211 VanDerWaalsContact C-N 3.31Å; S209-L211 PolarHBondContact O-N 3.39Å; S209-Y212 PolarHBondContact O-N 3.41Å |
| 210 | N | 86 | Confident | 84.1 | Confident | 28 Ų | 28 | 30.9 Ų | 30.9 | 15% | 0.15 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.9 | -23.8 | -179.5 | -72.2 | -16.1 | 0 | 0 | 0 | 113.4 | T206 L207 S208 Y212 S213 V218 A222 | T206-N210 PolarHBondContact O-N 2.95Å; T206-N210 VanDerWaalsContact O-N 3.16Å; L207-N210 WeakPolarHBondContact O-CB 3.46Å; L207-N210 PolarHBondContact O-N 3.41Å; S208-N210 VanDerWaalsContact C-N 3.33Å; N210-Y212 PolarHBondContact O-N 3.49Å; N210-S213 WeakPolarHBondContact O-CB 3.25Å; N210-S213 PolarHBondContact O-N 2.88Å; N210-S213 VanDerWaalsContact O-N 3.08Å; N210-V218 HydrophobicContact CB-CG1 4.1Å; N210-A222 HydrophobicContact CB-CB 3.83Å |
| 211 | L | 86.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.6 | 173.8 | -81.9 | -177.7 | 0 | 0 | 0 | 113.4 | L207 S208 S209 R219 A222 A223 L226 H245 M246 V249 | L207-L211 PolarHBondContact O-N 3.35Å; S208-L211 WeakPolarHBondContact O-CB 3.42Å; S208-L211 PolarHBondContact O-N 3.25Å; S209-L211 VanDerWaalsContact C-N 3.31Å; S209-L211 PolarHBondContact O-N 3.39Å; L211-R219 WeakPolarHBondContact O-CD 3.32Å; L211-R219 VanDerWaalsContact O-CG 3.26Å; L211-R219 WeakPolarHBondContact O-CG 3.29Å; L211-A222 HydrophobicContact CD2-CB 4.05Å; L211-A222 HydrophobicContact CG-CB 4.25Å; L211-A223 HydrophobicContact CD2-CB 3.99Å; L211-L226 HydrophobicContact CD1-CD1 3.48Å; L211-L226 VanDerWaalsContact CD1-CD1 3.48Å; L211-L226 HydrophobicContact CD2-CD1 4.31Å; L211-L226 HydrophobicContact CG-CD1 3.88Å; L211-H245 HydrophobicContact CD1-CB 4.26Å; L211-M246 HydrophobicContact CD1-CG 4.27Å; L211-V249 HydrophobicContact CB-CG2 3.94Å; L211-V249 HydrophobicContact CD1-CG2 4.33Å |
| 212 | Y | 84.4 | Confident | 84.9 | Confident | 47 Ų | 47 | 30.4 Ų | 30.4 | 18% | 0.184 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 12.6 | 178.1 | -59.4 | -78.3 | 0 | 0 | 0 | 113.2 | M114 L180 S208 S209 N210 H245 S248 V249 | M114-Y212 HydrophobicContact CE-CD1 4.43Å; M114-Y212 HydrophobicContact SD-CD1 4.12Å; L180-Y212 HydrophobicContact CD1-CD1 3.83Å; L180-Y212 HydrophobicContact CD1-CE1 3.86Å; S208-Y212 VanDerWaalsContact O-CD2 3.3Å; S208-Y212 WeakPolarHBondContact O-CD2 3.25Å; S209-Y212 PolarHBondContact O-N 3.41Å; N210-Y212 PolarHBondContact O-N 3.49Å; Y212-H245 AromaticContact CE2-ND1 3.37Å; Y212-H245 WeakPolarHBondContact CE2-ND1 3.31Å; Y212-H245 AromaticContact CZ-ND1 3.53Å; Y212-H245 PolarHBondContact OH-ND1 2.91Å; Y212-S248 WeakPolarHBondContact OH-CB 3.43Å; Y212-V249 HydrophobicContact CE1-CG2 4.15Å |
| 213 | S | 81.5 | Confident | 85.4 | Confident | 33 Ų | 33 | 23.9 Ų | 23.9 | 23% | 0.231 | 14% | 0.14 | C | C | . | . | trans | -61.3 | 146 | 175.4 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | N210 S215 R219 | N210-S213 WeakPolarHBondContact O-CB 3.25Å; N210-S213 PolarHBondContact O-N 2.88Å; N210-S213 VanDerWaalsContact O-N 3.08Å; S213-S215 VanDerWaalsContact C-N 3.26Å; S213-S215 PolarHBondContact O-N 3.06Å; S213-S215 PolarHBondContact OG-N 2.91Å; S213-R219 VanDerWaalsContact O-CD 3.27Å; S213-R219 WeakPolarHBondContact O-CD 3.48Å; S213-R219 VanDerWaalsContact O-CG 3.26Å; S213-R219 WeakPolarHBondContact O-CG 3.33Å; S213-R219 PolarHBondContact O-NH1 2.86Å | ||
| 214 | A | 73.9 | Confident | 85.7 | Confident | 67 Ų | 67 | 24 Ų | 24 | 55% | 0.554 | 14% | 0.141 | S | C | * | . | S | Bend | trans | -61.9 | -35.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C116 W216 R219 | C116-A214 WeakPolarHBondContact CB-O 3.34Å; A214-W216 PolarHBondContact O-N 3.25Å; A214-R219 VanDerWaalsContact C-NH1 3.29Å; A214-R219 PolarHBondContact O-NH1 2.85Å |
| 215 | S | 79 | Confident | 85.9 | Confident | 30 Ų | 30 | 24 Ų | 24 | 21% | 0.21 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -78.9 | 120.1 | -178.9 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | S213 F217 V218 R219 | S213-S215 VanDerWaalsContact C-N 3.26Å; S213-S215 PolarHBondContact O-N 3.06Å; S213-S215 PolarHBondContact OG-N 2.91Å; S215-F217 VanDerWaalsContact C-N 3.31Å; S215-F217 PolarHBondContact O-N 2.89Å; S215-V218 WeakPolarHBondContact O-CB 3.3Å; S215-V218 PolarHBondContact O-N 3.45Å; S215-V218 VanDerWaalsContact O-N 3.13Å; S215-R219 PolarHBondContact O-N 2.83Å |
| 216 | W | 83.8 | Confident | 86.2 | Confident | 60 Ų | 60 | 21.9 Ų | 21.9 | 23% | 0.227 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.5 | -36.8 | -177.2 | 76.6 | -96.9 | 0 | 0 | 0 | 113.5 | A214 V218 R219 H220 F255 P266 | A214-W216 PolarHBondContact O-N 3.25Å; W216-V218 VanDerWaalsContact C-N 3.27Å; W216-V218 PolarHBondContact O-N 3.42Å; W216-R219 WeakPolarHBondContact O-CB 3.42Å; W216-R219 PolarHBondContact O-N 2.86Å; W216-H220 HydrophobicContact CE3-CB 4.24Å; W216-H220 HydrophobicContact CZ3-CB 4.32Å; W216-H220 WeakPolarHBondContact O-CB 3.46Å; W216-H220 PolarHBondContact O-N 3.17Å; W216-F255 HydrophobicContact CB-CB 4.39Å; W216-F255 HydrophobicContact CB-CD1 3.97Å; W216-F255 HydrophobicContact CB-CD2 3.95Å; W216-F255 HydrophobicContact CB-CE1 4.24Å; W216-F255 HydrophobicContact CB-CE2 4.23Å; W216-F255 HydrophobicContact CB-CG 3.82Å; W216-F255 HydrophobicContact CB-CZ 4.37Å; W216-F255 AromaticContact CD1-CE2 3.62Å; W216-F255 AromaticContact CD1-CZ 3.74Å; W216-F255 HydrophobicContact CD2-CD1 4.07Å; W216-F255 AromaticContact CD2-CE1 3.47Å; W216-F255 HydrophobicContact CD2-CE1 3.47Å; W216-F255 VanDerWaalsContact CD2-CE1 3.47Å; W216-F255 HydrophobicContact CD2-CE2 4.14Å; W216-F255 AromaticContact CD2-CZ 3.52Å; W216-F255 HydrophobicContact CD2-CZ 3.52Å; W216-F255 AromaticContact CE2-CE1 3.97Å; W216-F255 AromaticContact CE2-CZ 3.6Å; W216-F255 HydrophobicContact CE3-CD1 4.07Å; W216-F255 AromaticContact CE3-CE1 3.54Å; W216-F255 HydrophobicContact CE3-CE1 3.54Å; W216-F255 HydrophobicContact CE3-CZ 4.07Å; W216-F255 HydrophobicContact CG-CD1 4.04Å; W216-F255 AromaticContact CG-CD2 4Å; W216-F255 HydrophobicContact CG-CD2 4Å; W216-F255 AromaticContact CG-CE1 3.79Å; W216-F255 HydrophobicContact CG-CE1 3.79Å; W216-F255 AromaticContact CG-CE2 3.75Å; W216-F255 HydrophobicContact CG-CE2 3.75Å; W216-F255 HydrophobicContact CG-CG 4.14Å; W216-F255 AromaticContact CG-CZ 3.64Å; W216-F255 HydrophobicContact CG-CZ 3.64Å; W216-F255 HydrophobicContact CH2-CE1 4.5Å; W216-F255 HydrophobicContact CZ2-CE1 4.46Å; W216-F255 HydrophobicContact CZ2-CZ 4.2Å; W216-F255 HydrophobicContact CZ3-CE1 4.08Å; W216-F255 AromaticContact NE1-CE2 3.95Å; W216-F255 AromaticContact NE1-CZ 3.71Å; W216-P266 HydrophobicContact CE3-CG 4.27Å; W216-P266 HydrophobicContact CZ3-CG 3.96Å |
| 217 | F | 84.2 | Confident | 86.4 | Confident | 25 Ų | 25 | 21.3 Ų | 21.3 | 11% | 0.11 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.3 | -27.6 | -178.6 | 57 | -93.6 | 0 | 0 | 0 | 112.3 | M60 R67 S215 G221 | M60-F217 WeakPolarHBondContact O-CE2 3.35Å; R67-F217 WeakPolarHBondContact CD-O 3.47Å; S215-F217 VanDerWaalsContact C-N 3.31Å; S215-F217 PolarHBondContact O-N 2.89Å; F217-G221 PolarHBondContact O-N 2.91Å |
| 218 | V | 84.9 | Confident | 86.4 | Confident | 8 Ų | 8 | 23.8 Ų | 23.8 | 5% | 0.048 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.9 | -44.5 | 172 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | M60 N210 S215 W216 H220 G221 A222 | M60-V218 HydrophobicContact CE-CG1 3.82Å; M60-V218 HydrophobicContact SD-CB 4.15Å; M60-V218 HydrophobicContact SD-CG1 3.55Å; M60-V218 VanDerWaalsContact SD-CG1 3.55Å; M60-V218 HydrophobicContact SD-CG2 3.48Å; M60-V218 WeakPolarHBondContact SD-CG2 3.43Å; N210-V218 HydrophobicContact CB-CG1 4.1Å; S215-V218 WeakPolarHBondContact O-CB 3.3Å; S215-V218 PolarHBondContact O-N 3.45Å; S215-V218 VanDerWaalsContact O-N 3.13Å; W216-V218 VanDerWaalsContact C-N 3.27Å; W216-V218 PolarHBondContact O-N 3.42Å; V218-H220 VanDerWaalsContact C-N 3.33Å; V218-H220 PolarHBondContact O-N 3.42Å; V218-G221 PolarHBondContact O-N 3.09Å; V218-A222 WeakPolarHBondContact O-CB 3.2Å; V218-A222 PolarHBondContact O-N 2.9Å |
| 219 | R | 88.4 | Confident | 86.4 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.5 | -47 | 173.2 | -60.7 | -161.4 | -68.4 | -83.9 | 3.7 | 111.1 | L211 S213 A214 S215 W216 A222 A223 D253 V267 | L211-R219 WeakPolarHBondContact O-CD 3.32Å; L211-R219 VanDerWaalsContact O-CG 3.26Å; L211-R219 WeakPolarHBondContact O-CG 3.29Å; S213-R219 VanDerWaalsContact O-CD 3.27Å; S213-R219 WeakPolarHBondContact O-CD 3.48Å; S213-R219 VanDerWaalsContact O-CG 3.26Å; S213-R219 WeakPolarHBondContact O-CG 3.33Å; S213-R219 PolarHBondContact O-NH1 2.86Å; A214-R219 VanDerWaalsContact C-NH1 3.29Å; A214-R219 PolarHBondContact O-NH1 2.85Å; S215-R219 PolarHBondContact O-N 2.83Å; W216-R219 WeakPolarHBondContact O-CB 3.42Å; W216-R219 PolarHBondContact O-N 2.86Å; R219-A222 PolarHBondContact O-N 3.28Å; R219-A223 WeakPolarHBondContact O-CB 3.25Å; R219-A223 PolarHBondContact O-N 3.06Å; R219-D253 IonicContact CZ-OD1 3.9Å; R219-D253 IonicContact NE-OD1 3.69Å; R219-D253 PolarHBondContact NE-OD1 3.46Å; R219-D253 IonicContact NH2-OD1 3.09Å; R219-D253 PolarHBondContact NH2-OD1 2.92Å; R219-V267 HydrophobicContact CB-CG1 3.98Å; R219-V267 HydrophobicContact CB-CG2 4.14Å |
| 220 | H | 90.1 | Very high | 86.5 | Confident | 4 Ų | 4 | 19.6 Ų | 19.6 | 2% | 0.019 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 177.6 | 175.5 | -100.7 | 0 | 0 | 0 | 112.5 | Y64 R67 W216 V218 A222 A223 L224 P266 V267 | Y64-H220 AromaticContact CD2-CE1 3.94Å; Y64-H220 AromaticContact CE2-CE1 3.72Å; Y64-H220 AromaticContact CE2-NE2 3.86Å; R67-H220 PolarHBondContact NE-ND1 3.47Å; R67-H220 VanDerWaalsContact NE-ND1 3.18Å; W216-H220 HydrophobicContact CE3-CB 4.24Å; W216-H220 HydrophobicContact CZ3-CB 4.32Å; W216-H220 WeakPolarHBondContact O-CB 3.46Å; W216-H220 PolarHBondContact O-N 3.17Å; V218-H220 VanDerWaalsContact C-N 3.33Å; V218-H220 PolarHBondContact O-N 3.42Å; H220-A222 VanDerWaalsContact C-N 3.34Å; H220-A222 PolarHBondContact O-N 3.4Å; H220-A223 PolarHBondContact O-N 2.91Å; H220-L224 WeakPolarHBondContact CE1-CD1 3.38Å; H220-L224 WeakPolarHBondContact O-CG 3.46Å; H220-L224 PolarHBondContact O-N 2.89Å; H220-P266 PolarHBondContact CD2-O 3.25Å; H220-V267 HydrophobicContact CB-CG2 3.93Å |
| 221 | G | 89.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.9 | -43.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F59 F217 V218 A225 | F59-G221 VanDerWaalsContact CD1-O 3.27Å; F59-G221 WeakPolarHBondContact CD1-O 3.48Å; F217-G221 PolarHBondContact O-N 2.91Å; V218-G221 PolarHBondContact O-N 3.09Å; G221-A225 PolarHBondContact O-N 3.3Å; G221-A225 VanDerWaalsContact O-N 3.1Å |
| 222 | A | 91 | Very high | 85.9 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L207 N210 L211 V218 R219 H220 A225 L226 | L207-A222 HydrophobicContact CD2-CB 4.45Å; N210-A222 HydrophobicContact CB-CB 3.83Å; L211-A222 HydrophobicContact CD2-CB 4.05Å; L211-A222 HydrophobicContact CG-CB 4.25Å; V218-A222 WeakPolarHBondContact O-CB 3.2Å; V218-A222 PolarHBondContact O-N 2.9Å; R219-A222 PolarHBondContact O-N 3.28Å; H220-A222 VanDerWaalsContact C-N 3.34Å; H220-A222 PolarHBondContact O-N 3.4Å; A222-A225 PolarHBondContact O-N 3.37Å; A222-L226 WeakPolarHBondContact O-CB 3.35Å; A222-L226 WeakPolarHBondContact O-CG 3.5Å; A222-L226 PolarHBondContact O-N 3.34Å |
| 223 | A | 92.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L211 R219 H220 L226 K227 A270 | L211-A223 HydrophobicContact CD2-CB 3.99Å; R219-A223 WeakPolarHBondContact O-CB 3.25Å; R219-A223 PolarHBondContact O-N 3.06Å; H220-A223 PolarHBondContact O-N 2.91Å; A223-L226 PolarHBondContact O-N 3Å; A223-K227 WeakPolarHBondContact O-CB 3.35Å; A223-K227 PolarHBondContact O-N 3.41Å; A223-A270 HydrophobicContact CB-CB 3.72Å |
| 224 | L | 91.5 | Very high | 85.1 | Confident | 10 Ų | 10 | 26.6 Ų | 26.6 | 5% | 0.052 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.5 | -42.5 | 175 | -75 | 176.8 | 0 | 0 | 0 | 112.4 | R67 V68 A71 H220 K227 E228 A270 | R67-L224 HydrophobicContact CB-CD1 4.26Å; V68-L224 HydrophobicContact CG2-CD1 3.95Å; A71-L224 HydrophobicContact CB-CB 3.75Å; H220-L224 WeakPolarHBondContact CE1-CD1 3.38Å; H220-L224 WeakPolarHBondContact O-CG 3.46Å; H220-L224 PolarHBondContact O-N 2.89Å; L224-K227 WeakPolarHBondContact O-CB 3.43Å; L224-K227 PolarHBondContact O-N 3.33Å; L224-E228 PolarHBondContact O-N 3.47Å; L224-A270 HydrophobicContact CD2-CB 3.98Å; L224-A270 HydrophobicContact CG-CB 4.24Å |
| 225 | A | 89.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F59 L207 G221 A222 E228 L229 | F59-A225 HydrophobicContact CD1-CB 4.42Å; F59-A225 HydrophobicContact CD2-CB 4.23Å; F59-A225 HydrophobicContact CE1-CB 3.81Å; F59-A225 HydrophobicContact CE2-CB 3.58Å; F59-A225 HydrophobicContact CZ-CB 3.34Å; L207-A225 HydrophobicContact CD1-CB 3.65Å; L207-A225 HydrophobicContact CD2-CB 4.06Å; L207-A225 HydrophobicContact CG-CB 4.5Å; G221-A225 PolarHBondContact O-N 3.3Å; G221-A225 VanDerWaalsContact O-N 3.1Å; A222-A225 PolarHBondContact O-N 3.37Å; A225-E228 PolarHBondContact O-N 3.36Å; A225-L229 VanDerWaalsContact O-CG 3.29Å; A225-L229 WeakPolarHBondContact O-CG 3.31Å; A225-L229 PolarHBondContact O-N 3.23Å; A225-L229 VanDerWaalsContact O-N 3.14Å |
| 226 | L | 90.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 177.8 | -71.6 | 174.3 | 0 | 0 | 0 | 111.3 | L207 L211 A222 A223 E228 L229 L230 L242 M246 | L207-L226 HydrophobicContact CB-CD1 4.32Å; L207-L226 HydrophobicContact CB-CD2 3.94Å; L207-L226 HydrophobicContact CB-CG 4.02Å; L207-L226 HydrophobicContact CD1-CD2 3.99Å; L207-L226 HydrophobicContact CD1-CG 4.24Å; L211-L226 HydrophobicContact CD1-CD1 3.48Å; L211-L226 VanDerWaalsContact CD1-CD1 3.48Å; L211-L226 HydrophobicContact CD2-CD1 4.31Å; L211-L226 HydrophobicContact CG-CD1 3.88Å; A222-L226 WeakPolarHBondContact O-CB 3.35Å; A222-L226 WeakPolarHBondContact O-CG 3.5Å; A222-L226 PolarHBondContact O-N 3.34Å; A223-L226 PolarHBondContact O-N 3Å; L226-E228 VanDerWaalsContact C-N 3.27Å; L226-E228 PolarHBondContact O-N 3.38Å; L226-L229 PolarHBondContact O-N 3.11Å; L226-L229 VanDerWaalsContact O-N 3.07Å; L226-L230 HydrophobicContact CB-CD1 3.84Å; L226-L230 HydrophobicContact CD2-CD1 4.4Å; L226-L230 VanDerWaalsContact O-CB 3.32Å; L226-L230 WeakPolarHBondContact O-CB 3.47Å; L226-L230 WeakPolarHBondContact O-CD1 3.43Å; L226-L230 PolarHBondContact O-N 2.82Å; L226-L242 HydrophobicContact CD2-CD1 4.04Å; L226-L242 HydrophobicContact CD2-CD2 3.74Å; L226-L242 HydrophobicContact CD2-CG 4.43Å; L226-M246 HydrophobicContact CB-CE 4.4Å; L226-M246 HydrophobicContact CB-SD 4.19Å |
| 227 | K | 90.2 | Very high | 84.5 | Confident | 41 Ų | 41 | 29 Ų | 29 | 18% | 0.178 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -50.5 | -45.2 | 175 | -175.5 | -156.8 | 74.4 | 164.7 | 0 | 112.5 | A223 L224 P231 Q273 | A223-K227 WeakPolarHBondContact O-CB 3.35Å; A223-K227 PolarHBondContact O-N 3.41Å; L224-K227 WeakPolarHBondContact O-CB 3.43Å; L224-K227 PolarHBondContact O-N 3.33Å; K227-P231 VanDerWaalsContact O-CD 3.25Å; K227-P231 WeakPolarHBondContact O-CD 3.34Å; K227-Q273 HydrophobicContact CD-CB 3.58Å; K227-Q273 HydrophobicContact CD-CG 4.44Å; K227-Q273 HydrophobicContact CG-CB 3.9Å |
| 228 | E | 87.1 | Confident | 84.3 | Confident | 54 Ų | 54 | 27.9 Ų | 27.9 | 25% | 0.252 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -76.4 | -29.3 | 180 | -61.4 | -63.3 | 157.5 | 0 | 0 | 112.9 | A71 L224 A225 L226 V232 | A71-E228 HydrophobicContact CB-CG 4.14Å; L224-E228 PolarHBondContact O-N 3.47Å; A225-E228 PolarHBondContact O-N 3.36Å; L226-E228 VanDerWaalsContact C-N 3.27Å; L226-E228 PolarHBondContact O-N 3.38Å; E228-V232 WeakPolarHBondContact O-CG2 3.28Å |
| 229 | L | 86.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -83.5 | -35 | -177.7 | -72.2 | 173.1 | 0 | 0 | 0 | 113.9 | I74 C78 F203 L207 A225 L226 V232 V233 | I74-L229 HydrophobicContact CG2-CD1 4.01Å; I74-L229 HydrophobicContact CG2-CD2 3.65Å; I74-L229 HydrophobicContact CG2-CG 3.89Å; C78-L229 HydrophobicContact CB-CD2 3.73Å; C78-L229 WeakPolarHBondContact SG-CD2 3.33Å; F203-L229 HydrophobicContact CD1-CD1 3.96Å; F203-L229 HydrophobicContact CE1-CD1 4.04Å; L207-L229 HydrophobicContact CD1-CD1 3.87Å; A225-L229 VanDerWaalsContact O-CG 3.29Å; A225-L229 WeakPolarHBondContact O-CG 3.31Å; A225-L229 PolarHBondContact O-N 3.23Å; A225-L229 VanDerWaalsContact O-N 3.14Å; L226-L229 PolarHBondContact O-N 3.11Å; L226-L229 VanDerWaalsContact O-N 3.07Å; L229-V232 PolarHBondContact O-N 3.35Å; L229-V233 WeakPolarHBondContact O-CG2 3.45Å; L229-V233 PolarHBondContact O-N 3.1Å |
| 230 | L | 85.3 | Confident | 84 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -45.2 | -173.7 | -112.2 | 88.1 | 0 | 0 | 0 | 113.4 | L226 V232 Q239 L242 M246 V278 | L226-L230 HydrophobicContact CB-CD1 3.84Å; L226-L230 HydrophobicContact CD2-CD1 4.4Å; L226-L230 VanDerWaalsContact O-CB 3.32Å; L226-L230 WeakPolarHBondContact O-CB 3.47Å; L226-L230 WeakPolarHBondContact O-CD1 3.43Å; L226-L230 PolarHBondContact O-N 2.82Å; L230-V232 VanDerWaalsContact C-N 3.34Å; L230-Q239 PolarHBondContact O-NE2 3.37Å; L230-Q239 VanDerWaalsContact O-NE2 3.08Å; L230-L242 HydrophobicContact CD1-CB 3.97Å; L230-L242 HydrophobicContact CD1-CD1 3.91Å; L230-M246 HydrophobicContact CD1-SD 3.7Å; L230-M246 HydrophobicContact CD2-SD 3.75Å; L230-M246 HydrophobicContact CG-SD 4.43Å; L230-V278 VanDerWaalsContact C-CG2 3.44Å; L230-V278 HydrophobicContact CB-CG2 3.48Å; L230-V278 VanDerWaalsContact CB-CG2 3.48Å; L230-V278 HydrophobicContact CD2-CB 4.26Å; L230-V278 HydrophobicContact CD2-CG2 3.76Å; L230-V278 HydrophobicContact CG-CG2 3.96Å; L230-V278 WeakPolarHBondContact O-CG2 3.25Å |
| 231 | P | 79.3 | Confident | 83.7 | Confident | 42 Ų | 42 | 30.2 Ų | 30.2 | 27% | 0.273 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -25.7 | 176.1 | -20 | 33.9 | 0 | 0 | 0 | 114 | K227 A277 V278 F281 | K227-P231 VanDerWaalsContact O-CD 3.25Å; K227-P231 WeakPolarHBondContact O-CD 3.34Å; P231-A277 HydrophobicContact CG-CB 3.83Å; P231-V278 HydrophobicContact CG-CG2 4.47Å; P231-F281 HydrophobicContact CB-CE2 4.08Å |
| 232 | V | 80.3 | Confident | 83.5 | Confident | 29 Ų | 29 | 30.3 Ų | 30.3 | 18% | 0.176 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -36.8 | -175.4 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | C78 K79 L82 E228 L229 L230 R234 | C78-V232 HydrophobicContact CB-CG1 4.36Å; K79-V232 HydrophobicContact CB-CG1 4.24Å; K79-V232 HydrophobicContact CB-CG2 4.35Å; L82-V232 HydrophobicContact CB-CG1 4.36Å; L82-V232 HydrophobicContact CD1-CG1 3.72Å; E228-V232 WeakPolarHBondContact O-CG2 3.28Å; L229-V232 PolarHBondContact O-N 3.35Å; L230-V232 VanDerWaalsContact C-N 3.34Å; V232-R234 PolarHBondContact O-N 2.66Å |
| 233 | V | 78.3 | Confident | 83.4 | Confident | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.03 | 14% | 0.141 | C | C | . | . | trans | -79.9 | 107.8 | -177.5 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | V200 L229 C235 L238 Q239 | V200-V233 HydrophobicContact CG1-CG2 3.7Å; L229-V233 WeakPolarHBondContact O-CG2 3.45Å; L229-V233 PolarHBondContact O-N 3.1Å; V233-C235 VanDerWaalsContact C-N 3.26Å; V233-C235 HydrophobicContact CG1-CB 3.91Å; V233-C235 PolarHBondContact O-N 2.84Å; V233-L238 HydrophobicContact CG1-CD2 3.92Å; V233-Q239 VanDerWaalsContact O-CG 3.24Å; V233-Q239 WeakPolarHBondContact O-CG 3.39Å; V233-Q239 PolarHBondContact O-NE2 3.48Å | ||
| 234 | R | 70.6 | Confident | 83.1 | Confident | 180 Ų | 180 | 32.8 Ų | 32.8 | 68% | 0.679 | 15% | 0.153 | S | C | * | . | trans | -79.9 | 6.1 | 178.9 | -64 | -171.1 | 172 | -173.1 | -1.3 | 115.8 | V232 K236 | V232-R234 PolarHBondContact O-N 2.66Å; R234-K236 PolarHBondContact O-N 3.19Å | ||
| 235 | C | 75.3 | Confident | 82.9 | Confident | 27 Ų | 27 | 33.1 Ų | 33.1 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | trans | -79.2 | 103 | 177.8 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | M189 V233 N237 L238 Q239 | M189-C235 WeakPolarHBondContact CE-SG 3.27Å; V233-C235 VanDerWaalsContact C-N 3.26Å; V233-C235 HydrophobicContact CG1-CB 3.91Å; V233-C235 PolarHBondContact O-N 2.84Å; C235-N237 VanDerWaalsContact C-N 3.3Å; C235-N237 PolarHBondContact O-N 3Å; C235-L238 HydrophobicContact CB-CB 4.14Å; C235-L238 PolarHBondContact O-N 3.2Å; C235-L238 VanDerWaalsContact O-N 3.11Å; C235-Q239 PolarHBondContact O-N 3.46Å | ||
| 236 | K | 74.1 | Confident | 83 | Confident | 144 Ų | 144 | 33.1 Ų | 33.1 | 63% | 0.626 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -53.8 | -42.8 | -176.2 | -69.6 | -176.4 | 177.8 | 179.2 | 0 | 113.5 | R234 L238 Q239 L240 | R234-K236 PolarHBondContact O-N 3.19Å; K236-L238 VanDerWaalsContact C-N 3.35Å; K236-L238 PolarHBondContact O-N 2.83Å; K236-Q239 PolarHBondContact O-N 3.48Å; K236-L240 WeakPolarHBondContact O-CG 3.46Å; K236-L240 PolarHBondContact O-N 2.67Å |
| 237 | N | 75.8 | Confident | 83 | Confident | 37 Ų | 37 | 33.1 Ų | 33.1 | 20% | 0.198 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.8 | -41.2 | -179.5 | -67.7 | -5.6 | 0 | 0 | 0 | 111.7 | M189 C235 F241 | M189-N237 HydrophobicContact SD-CB 3.79Å; C235-N237 VanDerWaalsContact C-N 3.3Å; C235-N237 PolarHBondContact O-N 3Å; N237-F241 WeakPolarHBondContact O-CB 3.42Å; N237-F241 PolarHBondContact O-N 2.9Å |
| 238 | L | 80.5 | Confident | 82.9 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.2 | -40.6 | 176.5 | -171.1 | 67.6 | 0 | 0 | 0 | 111.4 | C204 F205 V233 C235 K236 L240 F241 L242 | C204-L238 HydrophobicContact CB-CD1 4.31Å; C204-L238 HydrophobicContact CB-CD2 3.98Å; F205-L238 HydrophobicContact CE1-CD1 4.26Å; F205-L238 HydrophobicContact CE2-CD1 4.36Å; F205-L238 HydrophobicContact CZ-CD1 4.02Å; V233-L238 HydrophobicContact CG1-CD2 3.92Å; C235-L238 HydrophobicContact CB-CB 4.14Å; C235-L238 PolarHBondContact O-N 3.2Å; C235-L238 VanDerWaalsContact O-N 3.11Å; K236-L238 VanDerWaalsContact C-N 3.35Å; K236-L238 PolarHBondContact O-N 2.83Å; L238-L240 VanDerWaalsContact C-N 3.34Å; L238-L240 PolarHBondContact O-N 2.83Å; L238-F241 HydrophobicContact CD1-CD1 4.26Å; L238-F241 PolarHBondContact O-N 3.08Å; L238-L242 HydrophobicContact CD1-CG 4.38Å; L238-L242 HydrophobicContact CD2-CD1 4.41Å; L238-L242 HydrophobicContact CG-CD1 3.99Å; L238-L242 HydrophobicContact CG-CG 4.25Å; L238-L242 WeakPolarHBondContact O-CB 3.29Å; L238-L242 VanDerWaalsContact O-CG 3.24Å; L238-L242 WeakPolarHBondContact O-CG 3.45Å; L238-L242 PolarHBondContact O-N 3.5Å |
| 239 | Q | 83.1 | Confident | 82.9 | Confident | 14 Ų | 14 | 29.3 Ų | 29.3 | 7% | 0.065 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 176.2 | -72.6 | -178.8 | -43.5 | 0 | 0 | 111.6 | L230 V233 C235 K236 L242 L243 | L230-Q239 PolarHBondContact O-NE2 3.37Å; L230-Q239 VanDerWaalsContact O-NE2 3.08Å; V233-Q239 VanDerWaalsContact O-CG 3.24Å; V233-Q239 WeakPolarHBondContact O-CG 3.39Å; V233-Q239 PolarHBondContact O-NE2 3.48Å; C235-Q239 PolarHBondContact O-N 3.46Å; K236-Q239 PolarHBondContact O-N 3.48Å; Q239-L242 PolarHBondContact O-N 3.46Å; Q239-L243 VanDerWaalsContact O-CB 3.22Å; Q239-L243 WeakPolarHBondContact O-CB 3.16Å; Q239-L243 PolarHBondContact O-N 2.96Å |
| 240 | L | 83.9 | Confident | 83.1 | Confident | 12 Ų | 12 | 29.3 Ų | 29.3 | 6% | 0.063 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 176.9 | -71.9 | 171.7 | 0 | 0 | 0 | 111.8 | F98 L100 K236 L238 L242 L243 E244 L286 | F98-L240 HydrophobicContact CB-CD1 4.21Å; F98-L240 WeakPolarHBondContact O-CD1 3.43Å; L100-L240 HydrophobicContact CB-CD2 4.22Å; L100-L240 HydrophobicContact CD1-CD2 3.91Å; K236-L240 WeakPolarHBondContact O-CG 3.46Å; K236-L240 PolarHBondContact O-N 2.67Å; L238-L240 VanDerWaalsContact C-N 3.34Å; L238-L240 PolarHBondContact O-N 2.83Å; L240-L242 PolarHBondContact O-N 3.23Å; L240-L243 WeakPolarHBondContact O-CB 3.49Å; L240-L243 PolarHBondContact O-N 3.21Å; L240-E244 WeakPolarHBondContact O-CG 3.38Å; L240-E244 PolarHBondContact O-N 3.17Å; L240-L286 HydrophobicContact CD2-CD1 3.94Å; L240-L286 HydrophobicContact CD2-CD2 3.9Å |
| 241 | F | 82.8 | Confident | 83.1 | Confident | 36 Ų | 36 | 29.3 Ų | 29.3 | 16% | 0.158 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.1 | -48.5 | 176.2 | 173.7 | -96.8 | 0 | 0 | 0 | 112.1 | L187 F205 N237 L238 L243 E244 H245 | L187-F241 HydrophobicContact CD1-CB 4.4Å; L187-F241 HydrophobicContact CD1-CD2 4.01Å; L187-F241 HydrophobicContact CD1-CG 4.45Å; F205-F241 HydrophobicContact CD1-CD1 4.19Å; F205-F241 AromaticContact CD1-CE1 3.45Å; F205-F241 HydrophobicContact CD1-CE1 3.45Å; F205-F241 VanDerWaalsContact CD1-CE1 3.45Å; F205-F241 AromaticContact CD1-CZ 3.74Å; F205-F241 HydrophobicContact CD1-CZ 3.74Å; F205-F241 AromaticContact CE1-CD1 3.9Å; F205-F241 HydrophobicContact CE1-CD1 3.9Å; F205-F241 AromaticContact CE1-CE1 3.54Å; F205-F241 HydrophobicContact CE1-CE1 3.54Å; F205-F241 HydrophobicContact CE1-CE2 4.35Å; F205-F241 HydrophobicContact CE1-CG 4.45Å; F205-F241 AromaticContact CE1-CZ 3.78Å; F205-F241 HydrophobicContact CE1-CZ 3.78Å; N237-F241 WeakPolarHBondContact O-CB 3.42Å; N237-F241 PolarHBondContact O-N 2.9Å; L238-F241 HydrophobicContact CD1-CD1 4.26Å; L238-F241 PolarHBondContact O-N 3.08Å; F241-L243 VanDerWaalsContact C-N 3.33Å; F241-L243 PolarHBondContact O-N 3.47Å; F241-E244 PolarHBondContact O-N 2.68Å; F241-H245 AromaticContact CD1-CD2 3.95Å; F241-H245 AromaticContact CD2-NE2 3.9Å; F241-H245 AromaticContact CE1-CD2 3.56Å; F241-H245 AromaticContact CE1-NE2 3.7Å; F241-H245 AromaticContact CE2-CD2 3.72Å; F241-H245 AromaticContact CE2-NE2 3.17Å; F241-H245 WeakPolarHBondContact CE2-NE2 3.38Å; F241-H245 AromaticContact CZ-CD2 3.45Å; F241-H245 VanDerWaalsContact CZ-CD2 3.45Å; F241-H245 WeakPolarHBondContact CZ-CD2 3.48Å; F241-H245 AromaticContact CZ-NE2 3.05Å; F241-H245 WeakPolarHBondContact CZ-NE2 3.39Å; F241-H245 PolarHBondContact O-CD2 3.25Å; F241-H245 PolarHBondContact O-N 3.06Å |
| 242 | L | 86.4 | Confident | 83.4 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.8 | -37.8 | 178.7 | -65.7 | 175.4 | 0 | 0 | 0 | 112.1 | C204 S208 L226 L230 L238 Q239 L240 H245 M246 | C204-L242 HydrophobicContact CB-CD1 4.05Å; C204-L242 HydrophobicContact CB-CD2 4.16Å; S208-L242 WeakPolarHBondContact OG-CD2 3.45Å; L226-L242 HydrophobicContact CD2-CD1 4.04Å; L226-L242 HydrophobicContact CD2-CD2 3.74Å; L226-L242 HydrophobicContact CD2-CG 4.43Å; L230-L242 HydrophobicContact CD1-CB 3.97Å; L230-L242 HydrophobicContact CD1-CD1 3.91Å; L238-L242 HydrophobicContact CD1-CG 4.38Å; L238-L242 HydrophobicContact CD2-CD1 4.41Å; L238-L242 HydrophobicContact CG-CD1 3.99Å; L238-L242 HydrophobicContact CG-CG 4.25Å; L238-L242 WeakPolarHBondContact O-CB 3.29Å; L238-L242 VanDerWaalsContact O-CG 3.24Å; L238-L242 WeakPolarHBondContact O-CG 3.45Å; L238-L242 PolarHBondContact O-N 3.5Å; Q239-L242 PolarHBondContact O-N 3.46Å; L240-L242 PolarHBondContact O-N 3.23Å; L242-H245 PolarHBondContact O-N 2.85Å; L242-M246 WeakPolarHBondContact O-CG 3.48Å; L242-M246 PolarHBondContact O-N 3.44Å |
| 243 | L | 87.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 177.8 | -173.3 | 65 | 0 | 0 | 0 | 111.6 | L100 Q239 L240 F241 H245 M246 L247 V275 L282 L290 | L100-L243 HydrophobicContact CD1-CB 4.36Å; L100-L243 HydrophobicContact CD1-CD2 3.88Å; L100-L243 HydrophobicContact CD1-CG 4.22Å; L100-L243 HydrophobicContact CD2-CD2 4.15Å; Q239-L243 VanDerWaalsContact O-CB 3.22Å; Q239-L243 WeakPolarHBondContact O-CB 3.16Å; Q239-L243 PolarHBondContact O-N 2.96Å; L240-L243 WeakPolarHBondContact O-CB 3.49Å; L240-L243 PolarHBondContact O-N 3.21Å; F241-L243 VanDerWaalsContact C-N 3.33Å; F241-L243 PolarHBondContact O-N 3.47Å; L243-H245 VanDerWaalsContact C-N 3.34Å; L243-H245 PolarHBondContact O-N 2.99Å; L243-M246 PolarHBondContact O-N 3.1Å; L243-L247 HydrophobicContact CG-CD1 4.2Å; L243-L247 WeakPolarHBondContact O-CB 3.5Å; L243-L247 VanDerWaalsContact O-CG 3.28Å; L243-L247 WeakPolarHBondContact O-CG 3.4Å; L243-L247 PolarHBondContact O-N 3.09Å; L243-V275 HydrophobicContact CD1-CB 4.25Å; L243-V275 HydrophobicContact CD1-CG1 3.99Å; L243-V275 HydrophobicContact CD1-CG2 3.89Å; L243-L282 HydrophobicContact CD2-CD1 4.2Å; L243-L290 HydrophobicContact CD2-CD1 4.45Å |
| 244 | E | 86.7 | Confident | 83.8 | Confident | 54 Ų | 54 | 27.6 Ų | 27.6 | 25% | 0.252 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -60.9 | -40.7 | 176.2 | -70.3 | -177.5 | 168 | 0 | 0 | 112.5 | L100 N101 L240 F241 S248 | L100-E244 WeakPolarHBondContact CA-OE1 3.34Å; L100-E244 HydrophobicContact CD1-CG 3.56Å; L100-E244 HydrophobicContact CG-CG 4.39Å; N101-E244 PolarHBondContact N-OE1 3.13Å; L240-E244 WeakPolarHBondContact O-CG 3.38Å; L240-E244 PolarHBondContact O-N 3.17Å; F241-E244 PolarHBondContact O-N 2.68Å; E244-S248 WeakPolarHBondContact O-CB 3.34Å; E244-S248 PolarHBondContact O-N 2.88Å; E244-S248 PolarHBondContact O-OG 2.98Å |
| 245 | H | 88 | Confident | 84.3 | Confident | 16 Ų | 16 | 20 Ų | 20 | 7% | 0.074 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.5 | -42.2 | 177.2 | -77.3 | -63.6 | 0 | 0 | 0 | 112.3 | L211 Y212 F241 L242 L243 S248 V249 | L211-H245 HydrophobicContact CD1-CB 4.26Å; Y212-H245 AromaticContact CE2-ND1 3.37Å; Y212-H245 WeakPolarHBondContact CE2-ND1 3.31Å; Y212-H245 AromaticContact CZ-ND1 3.53Å; Y212-H245 PolarHBondContact OH-ND1 2.91Å; F241-H245 AromaticContact CD1-CD2 3.95Å; F241-H245 AromaticContact CD2-NE2 3.9Å; F241-H245 AromaticContact CE1-CD2 3.56Å; F241-H245 AromaticContact CE1-NE2 3.7Å; F241-H245 AromaticContact CE2-CD2 3.72Å; F241-H245 AromaticContact CE2-NE2 3.17Å; F241-H245 WeakPolarHBondContact CE2-NE2 3.38Å; F241-H245 AromaticContact CZ-CD2 3.45Å; F241-H245 VanDerWaalsContact CZ-CD2 3.45Å; F241-H245 WeakPolarHBondContact CZ-CD2 3.48Å; F241-H245 AromaticContact CZ-NE2 3.05Å; F241-H245 WeakPolarHBondContact CZ-NE2 3.39Å; F241-H245 PolarHBondContact O-CD2 3.25Å; F241-H245 PolarHBondContact O-N 3.06Å; L242-H245 PolarHBondContact O-N 2.85Å; L243-H245 VanDerWaalsContact C-N 3.34Å; L243-H245 PolarHBondContact O-N 2.99Å; H245-S248 WeakPolarHBondContact O-CB 3.28Å; H245-S248 PolarHBondContact O-N 3.26Å; H245-V249 WeakPolarHBondContact O-CG2 3.3Å; H245-V249 PolarHBondContact O-N 3.45Å |
| 246 | M | 91.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.7 | -41.3 | 176.8 | -67.3 | 177.9 | 83.1 | 0 | 0 | 111.5 | L211 L226 L230 L242 L243 S248 V249 L250 C271 V275 | L211-M246 HydrophobicContact CD1-CG 4.27Å; L226-M246 HydrophobicContact CB-CE 4.4Å; L226-M246 HydrophobicContact CB-SD 4.19Å; L230-M246 HydrophobicContact CD1-SD 3.7Å; L230-M246 HydrophobicContact CD2-SD 3.75Å; L230-M246 HydrophobicContact CG-SD 4.43Å; L242-M246 WeakPolarHBondContact O-CG 3.48Å; L242-M246 PolarHBondContact O-N 3.44Å; L243-M246 PolarHBondContact O-N 3.1Å; M246-S248 VanDerWaalsContact C-N 3.34Å; M246-S248 PolarHBondContact O-N 3.42Å; M246-V249 PolarHBondContact O-N 2.85Å; M246-L250 WeakPolarHBondContact O-CD1 3.46Å; M246-L250 WeakPolarHBondContact O-CG 3.4Å; M246-L250 PolarHBondContact O-N 3.35Å; M246-C271 HydrophobicContact CE-CB 4.24Å; M246-C271 WeakPolarHBondContact CE-O 3.32Å; M246-V275 HydrophobicContact CB-CG2 4.24Å |
| 247 | L | 91 | Very high | 84.5 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.2 | -39.9 | 173.3 | -71.7 | 169.1 | 0 | 0 | 0 | 112.1 | F102 L243 L250 A251 L290 I293 F297 I317 | F102-L247 HydrophobicContact CB-CD1 4.37Å; F102-L247 HydrophobicContact CD1-CB 4.32Å; F102-L247 HydrophobicContact CD1-CD1 4.38Å; F102-L247 HydrophobicContact CD2-CB 3.95Å; F102-L247 HydrophobicContact CE1-CB 4.25Å; F102-L247 HydrophobicContact CE2-CB 3.89Å; F102-L247 HydrophobicContact CG-CB 4.17Å; F102-L247 HydrophobicContact CG-CD1 4.24Å; F102-L247 HydrophobicContact CZ-CB 4.03Å; L243-L247 HydrophobicContact CG-CD1 4.2Å; L243-L247 WeakPolarHBondContact O-CB 3.5Å; L243-L247 VanDerWaalsContact O-CG 3.28Å; L243-L247 WeakPolarHBondContact O-CG 3.4Å; L243-L247 PolarHBondContact O-N 3.09Å; L247-L250 PolarHBondContact O-N 3.12Å; L247-A251 PolarHBondContact O-N 3.5Å; L247-A251 VanDerWaalsContact O-N 3.09Å; L247-L290 HydrophobicContact CD1-CD1 4.25Å; L247-L290 HydrophobicContact CD2-CD1 4.39Å; L247-I293 HydrophobicContact CD1-CD1 4.35Å; L247-I293 HydrophobicContact CD1-CG2 4.32Å; L247-I293 HydrophobicContact CD2-CG2 4.21Å; L247-F297 HydrophobicContact CD2-CE2 4.43Å; L247-I317 HydrophobicContact CD2-CD1 4.22Å |
| 248 | S | 87.1 | Confident | 84 | Confident | 16 Ų | 16 | 21.3 Ų | 21.3 | 11% | 0.112 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 175.4 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | Y212 E244 H245 M246 A251 L252 | Y212-S248 WeakPolarHBondContact OH-CB 3.43Å; E244-S248 WeakPolarHBondContact O-CB 3.34Å; E244-S248 PolarHBondContact O-N 2.88Å; E244-S248 PolarHBondContact O-OG 2.98Å; H245-S248 WeakPolarHBondContact O-CB 3.28Å; H245-S248 PolarHBondContact O-N 3.26Å; M246-S248 VanDerWaalsContact C-N 3.34Å; M246-S248 PolarHBondContact O-N 3.42Å; S248-A251 PolarHBondContact O-N 2.88Å; S248-L252 WeakPolarHBondContact O-CB 3.45Å; S248-L252 VanDerWaalsContact O-CG 3.25Å; S248-L252 WeakPolarHBondContact O-CG 3.44Å; S248-L252 PolarHBondContact O-N 3.42Å |
| 249 | V | 88.1 | Confident | 83 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.5 | -39.8 | 175.7 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | M114 L211 Y212 H245 M246 A251 L252 D253 V267 | M114-V249 HydrophobicContact CE-CB 4.24Å; M114-V249 HydrophobicContact CE-CG1 4.01Å; M114-V249 HydrophobicContact CE-CG2 4.02Å; L211-V249 HydrophobicContact CB-CG2 3.94Å; L211-V249 HydrophobicContact CD1-CG2 4.33Å; Y212-V249 HydrophobicContact CE1-CG2 4.15Å; H245-V249 WeakPolarHBondContact O-CG2 3.3Å; H245-V249 PolarHBondContact O-N 3.45Å; M246-V249 PolarHBondContact O-N 2.85Å; V249-A251 PolarHBondContact O-N 3.36Å; V249-L252 PolarHBondContact O-N 3.47Å; V249-D253 HydrophobicContact CG1-CB 4.04Å; V249-D253 VanDerWaalsContact O-CB 3.24Å; V249-D253 WeakPolarHBondContact O-CB 3.49Å; V249-D253 PolarHBondContact O-N 3.15Å; V249-V267 HydrophobicContact CG1-CG1 3.86Å |
| 250 | L | 89.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.9 | -31.8 | 175.1 | -79.6 | 156.6 | 0 | 0 | 0 | 112.9 | M246 L247 R268 C271 A272 V275 F297 S313 I317 | M246-L250 WeakPolarHBondContact O-CD1 3.46Å; M246-L250 WeakPolarHBondContact O-CG 3.4Å; M246-L250 PolarHBondContact O-N 3.35Å; L247-L250 PolarHBondContact O-N 3.12Å; L250-R268 HydrophobicContact CD2-CB 3.97Å; L250-R268 HydrophobicContact CD2-CG 4.33Å; L250-R268 WeakPolarHBondContact CD2-O 3.5Å; L250-C271 HydrophobicContact CD1-CB 3.86Å; L250-C271 HydrophobicContact CD2-CB 4.06Å; L250-C271 HydrophobicContact CG-CB 3.73Å; L250-A272 HydrophobicContact CD2-CB 4.31Å; L250-V275 HydrophobicContact CD1-CG2 4.06Å; L250-F297 HydrophobicContact CB-CE1 4.49Å; L250-F297 HydrophobicContact CB-CZ 4.47Å; L250-S313 WeakPolarHBondContact O-CB 3.44Å; L250-S313 PolarHBondContact O-OG 3.23Å; L250-I317 HydrophobicContact CD1-CD1 3.79Å; L250-I317 HydrophobicContact CD1-CG1 3.8Å; L250-I317 HydrophobicContact CD2-CG1 4.42Å |
| 251 | A | 85.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -78.2 | -36.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | F102 L104 L108 L247 S248 V249 R254 F297 | F102-A251 HydrophobicContact CZ-CB 4.37Å; L104-A251 HydrophobicContact CD1-CB 3.56Å; L108-A251 HydrophobicContact CD2-CB 4.36Å; L108-A251 WeakPolarHBondContact CD2-O 3.4Å; L247-A251 PolarHBondContact O-N 3.5Å; L247-A251 VanDerWaalsContact O-N 3.09Å; S248-A251 PolarHBondContact O-N 2.88Å; V249-A251 PolarHBondContact O-N 3.36Å; A251-R254 PolarHBondContact O-NH1 3.03Å; A251-R254 PolarHBondContact O-NH2 3.32Å; A251-F297 HydrophobicContact CB-CE1 3.87Å; A251-F297 HydrophobicContact CB-CZ 3.87Å |
| 252 | L | 85.4 | Confident | 79.9 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -99.7 | -25 | -168.3 | -65.9 | 173.7 | 0 | 0 | 0 | 114.9 | T107 L108 N111 V113 M114 S248 V249 | T107-L252 HydrophobicContact CG2-CD1 4.16Å; T107-L252 HydrophobicContact CG2-CD2 4.4Å; T107-L252 HydrophobicContact CG2-CG 4.21Å; L108-L252 HydrophobicContact CD2-CD2 4.38Å; N111-L252 HydrophobicContact CB-CD1 3.85Å; N111-L252 HydrophobicContact CB-CD2 3.79Å; V113-L252 WeakPolarHBondContact CG1-O 3.48Å; M114-L252 HydrophobicContact CE-CB 3.79Å; M114-L252 PolarHBondContact N-O 2.92Å; S248-L252 WeakPolarHBondContact O-CB 3.45Å; S248-L252 VanDerWaalsContact O-CG 3.25Å; S248-L252 WeakPolarHBondContact O-CG 3.44Å; S248-L252 PolarHBondContact O-N 3.42Å; V249-L252 PolarHBondContact O-N 3.47Å |
| 253 | D | 85.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -75.6 | 130.2 | -179 | -168.4 | 85.4 | 0 | 0 | 0 | 110.7 | M114 R219 V249 F255 R268 | M114-D253 HydrophobicContact CE-CB 4.24Å; R219-D253 IonicContact CZ-OD1 3.9Å; R219-D253 IonicContact NE-OD1 3.69Å; R219-D253 PolarHBondContact NE-OD1 3.46Å; R219-D253 IonicContact NH2-OD1 3.09Å; R219-D253 PolarHBondContact NH2-OD1 2.92Å; V249-D253 HydrophobicContact CG1-CB 4.04Å; V249-D253 VanDerWaalsContact O-CB 3.24Å; V249-D253 WeakPolarHBondContact O-CB 3.49Å; V249-D253 PolarHBondContact O-N 3.15Å; D253-F255 PolarHBondContact OD2-N 3.42Å; D253-F255 VanDerWaalsContact OD2-N 3.13Å; D253-R268 HydrophobicContact CB-CG 4.41Å |
| 254 | R | 81 | Confident | 79.1 | Confident | 39 Ų | 39 | 40.9 Ų | 40.9 | 15% | 0.147 | 22% | 0.219 | C | C | . | . | trans | -120.8 | 13.9 | 175.6 | -66.4 | -66.5 | -175.8 | -95.2 | 2.1 | 112.3 | V113 M114 L115 A251 S256 D307 | V113-R254 HydrophobicContact CG1-CB 3.88Å; V113-R254 HydrophobicContact CG1-CG 3.14Å; M114-R254 PolarHBondContact O-N 3.45Å; L115-R254 HydrophobicContact CD2-CB 3.62Å; L115-R254 HydrophobicContact CG-CB 4.31Å; A251-R254 PolarHBondContact O-NH1 3.03Å; A251-R254 PolarHBondContact O-NH2 3.32Å; R254-S256 PolarHBondContact O-N 2.96Å; R254-S256 PolarHBondContact O-OG 3.1Å; R254-D307 IonicContact CZ-OD1 3.59Å; R254-D307 IonicContact NE-OD1 2.85Å; R254-D307 PolarHBondContact NE-OD1 3.01Å; R254-D307 IonicContact NH2-OD1 2.81Å; R254-D307 PolarHBondContact NH2-OD1 3.32Å; R254-D307 IonicContact NH2-OD2 3.65Å; R254-D307 PolarHBondContact NH2-OD2 3.38Å | ||
| 255 | F | 80.6 | Confident | 79.1 | Confident | 20 Ų | 20 | 38.3 Ų | 38.3 | 9% | 0.088 | 21% | 0.207 | C | C | . | . | trans | -73.2 | 117.2 | 175.3 | -178.3 | -97.9 | 0 | 0 | 0 | 109.5 | W216 D253 P266 | W216-F255 HydrophobicContact CB-CB 4.39Å; W216-F255 HydrophobicContact CB-CD1 3.97Å; W216-F255 HydrophobicContact CB-CD2 3.95Å; W216-F255 HydrophobicContact CB-CE1 4.24Å; W216-F255 HydrophobicContact CB-CE2 4.23Å; W216-F255 HydrophobicContact CB-CG 3.82Å; W216-F255 HydrophobicContact CB-CZ 4.37Å; W216-F255 AromaticContact CD1-CE2 3.62Å; W216-F255 AromaticContact CD1-CZ 3.74Å; W216-F255 HydrophobicContact CD2-CD1 4.07Å; W216-F255 AromaticContact CD2-CE1 3.47Å; W216-F255 HydrophobicContact CD2-CE1 3.47Å; W216-F255 VanDerWaalsContact CD2-CE1 3.47Å; W216-F255 HydrophobicContact CD2-CE2 4.14Å; W216-F255 AromaticContact CD2-CZ 3.52Å; W216-F255 HydrophobicContact CD2-CZ 3.52Å; W216-F255 AromaticContact CE2-CE1 3.97Å; W216-F255 AromaticContact CE2-CZ 3.6Å; W216-F255 HydrophobicContact CE3-CD1 4.07Å; W216-F255 AromaticContact CE3-CE1 3.54Å; W216-F255 HydrophobicContact CE3-CE1 3.54Å; W216-F255 HydrophobicContact CE3-CZ 4.07Å; W216-F255 HydrophobicContact CG-CD1 4.04Å; W216-F255 AromaticContact CG-CD2 4Å; W216-F255 HydrophobicContact CG-CD2 4Å; W216-F255 AromaticContact CG-CE1 3.79Å; W216-F255 HydrophobicContact CG-CE1 3.79Å; W216-F255 AromaticContact CG-CE2 3.75Å; W216-F255 HydrophobicContact CG-CE2 3.75Å; W216-F255 HydrophobicContact CG-CG 4.14Å; W216-F255 AromaticContact CG-CZ 3.64Å; W216-F255 HydrophobicContact CG-CZ 3.64Å; W216-F255 HydrophobicContact CH2-CE1 4.5Å; W216-F255 HydrophobicContact CZ2-CE1 4.46Å; W216-F255 HydrophobicContact CZ2-CZ 4.2Å; W216-F255 HydrophobicContact CZ3-CE1 4.08Å; W216-F255 AromaticContact NE1-CE2 3.95Å; W216-F255 AromaticContact NE1-CZ 3.71Å; D253-F255 PolarHBondContact OD2-N 3.42Å; D253-F255 VanDerWaalsContact OD2-N 3.13Å; F255-P266 HydrophobicContact CD1-CG 4.08Å; F255-P266 HydrophobicContact CE1-CG 3.8Å | ||
| 256 | S | 76.2 | Confident | 79.1 | Confident | 28 Ų | 28 | 38 Ų | 38 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | trans | -138.5 | 127.6 | -179 | -43.3 | 0 | 0 | 0 | 0 | 107.9 | R254 R268 | R254-S256 PolarHBondContact O-N 2.96Å; R254-S256 PolarHBondContact O-OG 3.1Å; S256-R268 PolarHBondContact OG-NH2 3.32Å | ||
| 257 | D | 77.3 | Confident | 79 | Confident | 83 Ų | 83 | 38 Ų | 38 | 44% | 0.444 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 162.1 | 174.5 | -159.7 | -3 | 0 | 0 | 0 | 109.1 | F264 | D257-F264 PolarHBondContact N-O 3.48Å; D257-F264 PolarHBondContact O-N 2.79Å |
| 258 | F | 66.7 | Low | 79 | Confident | 124 Ų | 124 | 38 Ų | 38 | 54% | 0.544 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 120.7 | -177.4 | -62.8 | -93.1 | 0 | 0 | 0 | 110.6 | H262 V263 | F258-H262 WeakPolarHBondContact CA-O 3.47Å; F258-V263 HydrophobicContact CD1-CG2 4Å; F258-V263 HydrophobicContact CE1-CG2 3.43Å; F258-V263 VanDerWaalsContact CE1-CG2 3.43Å; F258-V263 HydrophobicContact CZ-CG2 4.19Å |
| 259 | I | 59.1 | Low | 79.1 | Confident | 117 Ų | 117 | 38.5 Ų | 38.5 | 60% | 0.6 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 98.4 | 172.8 | -58.2 | 171.3 | 0 | 0 | 0 | 107 | N261 H262 | I259-N261 PolarHBondContact O-N 2.79Å; I259-H262 PolarHBondContact N-O 3.36Å; I259-H262 VanDerWaalsContact N-O 3.15Å; I259-H262 PolarHBondContact O-N 3.19Å |
| 260 | G | 60.6 | Low | 79.3 | Confident | 67 Ų | 67 | 38.7 Ų | 38.7 | 69% | 0.691 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | -125.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 261 | N | 60.3 | Low | 79.5 | Confident | 117 Ų | 117 | 38.7 Ų | 38.7 | 63% | 0.626 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 6.5 | 179.4 | -65.2 | -7.1 | 0 | 0 | 0 | 113.3 | I259 | I259-N261 PolarHBondContact O-N 2.79Š|
| 262 | H | 63.6 | Low | 79.8 | Confident | 76 Ų | 76 | 38.7 Ų | 38.7 | 35% | 0.352 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132.6 | -175.2 | -63 | -79.7 | 0 | 0 | 0 | 112.4 | F258 I259 A397 | F258-H262 WeakPolarHBondContact CA-O 3.47Å; I259-H262 PolarHBondContact N-O 3.36Å; I259-H262 VanDerWaalsContact N-O 3.15Å; I259-H262 PolarHBondContact O-N 3.19Å; H262-A397 WeakPolarHBondContact CE1-CB 3.38Å |
| 263 | V | 77.8 | Confident | 80.1 | Confident | 17 Ų | 17 | 41 Ų | 41 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 124.9 | 167.5 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | F258 W308 F312 D352 | F258-V263 HydrophobicContact CD1-CG2 4Å; F258-V263 HydrophobicContact CE1-CG2 3.43Å; F258-V263 VanDerWaalsContact CE1-CG2 3.43Å; F258-V263 HydrophobicContact CZ-CG2 4.19Å; V263-W308 HydrophobicContact CB-CH2 4.47Å; V263-W308 HydrophobicContact CG1-CH2 3.76Å; V263-W308 HydrophobicContact CG1-CZ3 4.09Å; V263-W308 HydrophobicContact CG2-CH2 3.94Å; V263-W308 HydrophobicContact CG2-CZ3 4.37Å; V263-F312 HydrophobicContact CG1-CE1 4.33Å; V263-F312 HydrophobicContact CG1-CE2 4.39Å; V263-F312 HydrophobicContact CG1-CZ 3.96Å; V263-D352 HydrophobicContact CB-CB 4.47Å; V263-D352 HydrophobicContact CG2-CB 4.22Å; V263-D352 VanDerWaalsContact CG2-OD1 3.27Å; V263-D352 WeakPolarHBondContact CG2-OD1 3.25Å; V263-D352 VanDerWaalsContact CG2-OD2 3.24Å; V263-D352 WeakPolarHBondContact CG2-OD2 3.45Å |
| 264 | F | 79 | Confident | 80.3 | Confident | 82 Ų | 82 | 41 Ų | 41 | 36% | 0.36 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 115.2 | 170.5 | -167.2 | -101.2 | 0 | 0 | 0 | 110.5 | D257 P266 | D257-F264 PolarHBondContact N-O 3.48Å; D257-F264 PolarHBondContact O-N 2.79Å; F264-P266 HydrophobicContact CD1-CB 4.34Å; F264-P266 HydrophobicContact CD1-CG 4.48Å; F264-P266 HydrophobicContact CE1-CB 3.91Å; F264-P266 VanDerWaalsContact O-CD 3.24Å; F264-P266 WeakPolarHBondContact O-CD 3.24Å |
| 265 | A | 86.6 | Confident | 80.7 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | trans | -113.4 | 82.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V267 R268 E269 F312 | A265-V267 VanDerWaalsContact C-N 3.34Å; A265-V267 PolarHBondContact O-N 2.98Å; A265-R268 HydrophobicContact CB-CB 3.96Å; A265-R268 HydrophobicContact CB-CG 4.34Å; A265-R268 PolarHBondContact O-N 3.42Å; A265-R268 VanDerWaalsContact O-N 3.15Å; A265-E269 WeakPolarHBondContact O-CB 3.31Å; A265-E269 PolarHBondContact O-N 2.83Å; A265-F312 HydrophobicContact CB-CE1 3.98Å | ||
| 266 | P | 87.8 | Confident | 81.1 | Confident | 8 Ų | 8 | 38.2 Ų | 38.2 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.9 | -39.1 | -166.6 | 21.3 | -32.6 | 0 | 0 | 0 | 113.8 | W216 H220 F255 F264 A270 | W216-P266 HydrophobicContact CE3-CG 4.27Å; W216-P266 HydrophobicContact CZ3-CG 3.96Å; H220-P266 PolarHBondContact CD2-O 3.25Å; F255-P266 HydrophobicContact CD1-CG 4.08Å; F255-P266 HydrophobicContact CE1-CG 3.8Å; F264-P266 HydrophobicContact CD1-CB 4.34Å; F264-P266 HydrophobicContact CD1-CG 4.48Å; F264-P266 HydrophobicContact CE1-CB 3.91Å; F264-P266 VanDerWaalsContact O-CD 3.24Å; F264-P266 WeakPolarHBondContact O-CD 3.24Å; P266-A270 WeakPolarHBondContact O-CB 3.34Å; P266-A270 PolarHBondContact O-N 2.97Å |
| 267 | V | 89.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.7 | -48 | 179.1 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | R219 H220 V249 A265 E269 A270 C271 | R219-V267 HydrophobicContact CB-CG1 3.98Å; R219-V267 HydrophobicContact CB-CG2 4.14Å; H220-V267 HydrophobicContact CB-CG2 3.93Å; V249-V267 HydrophobicContact CG1-CG1 3.86Å; A265-V267 VanDerWaalsContact C-N 3.34Å; A265-V267 PolarHBondContact O-N 2.98Å; V267-E269 VanDerWaalsContact C-N 3.34Å; V267-A270 PolarHBondContact O-N 2.96Å; V267-C271 PolarHBondContact O-N 3.12Å; V267-C271 PolarHBondContact O-SG 3.4Å |
| 268 | R | 90.6 | Very high | 82 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.4 | -41.5 | 178.1 | -66.8 | -171 | -84.5 | 165.5 | 2.2 | 111.1 | L250 D253 S256 A265 C271 A272 A309 S313 L316 | L250-R268 HydrophobicContact CD2-CB 3.97Å; L250-R268 HydrophobicContact CD2-CG 4.33Å; L250-R268 WeakPolarHBondContact CD2-O 3.5Å; D253-R268 HydrophobicContact CB-CG 4.41Å; S256-R268 PolarHBondContact OG-NH2 3.32Å; A265-R268 HydrophobicContact CB-CB 3.96Å; A265-R268 HydrophobicContact CB-CG 4.34Å; A265-R268 PolarHBondContact O-N 3.42Å; A265-R268 VanDerWaalsContact O-N 3.15Å; R268-C271 PolarHBondContact O-N 3.18Å; R268-A272 VanDerWaalsContact O-CB 3.28Å; R268-A272 WeakPolarHBondContact O-CB 3.43Å; R268-A272 PolarHBondContact O-N 3.01Å; R268-A309 PolarHBondContact NH1-O 3.27Å; R268-A309 VanDerWaalsContact NH1-O 3.16Å; R268-S313 WeakPolarHBondContact CD-OG 3.4Å; R268-L316 HydrophobicContact CB-CD1 4.02Å |
| 269 | E | 90.4 | Very high | 82.8 | Confident | 28 Ų | 28 | 28.7 Ų | 28.7 | 13% | 0.131 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.7 | -51.5 | 175.7 | -165.1 | 69.7 | -168.9 | 0 | 0 | 111.6 | A265 V267 C271 A272 Q273 L316 Y320 | A265-E269 WeakPolarHBondContact O-CB 3.31Å; A265-E269 PolarHBondContact O-N 2.83Å; V267-E269 VanDerWaalsContact C-N 3.34Å; E269-C271 VanDerWaalsContact C-N 3.34Å; E269-C271 PolarHBondContact O-N 3.08Å; E269-A272 PolarHBondContact O-N 3.26Å; E269-Q273 VanDerWaalsContact O-CG 3.3Å; E269-Q273 WeakPolarHBondContact O-CG 3.29Å; E269-Q273 PolarHBondContact O-N 3.21Å; E269-L316 WeakPolarHBondContact OE2-CD1 3.38Å; E269-L316 WeakPolarHBondContact OE2-CD2 3.3Å; E269-Y320 VanDerWaalsContact OE1-CE2 3.23Å; E269-Y320 WeakPolarHBondContact OE1-CE2 3.45Å; E269-Y320 PolarHBondContact OE1-OH 3.47Å |
| 270 | A | 91.9 | Very high | 83.9 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.8 | -39.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A223 L224 P266 V267 G274 | A223-A270 HydrophobicContact CB-CB 3.72Å; L224-A270 HydrophobicContact CD2-CB 3.98Å; L224-A270 HydrophobicContact CG-CB 4.24Å; P266-A270 WeakPolarHBondContact O-CB 3.34Å; P266-A270 PolarHBondContact O-N 2.97Å; V267-A270 PolarHBondContact O-N 2.96Å; A270-G274 PolarHBondContact O-N 3.45Å; A270-G274 VanDerWaalsContact O-N 3.16Å |
| 271 | C | 92.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.1 | -45.9 | 175 | -75 | 0 | 0 | 0 | 0 | 112 | M246 L250 V267 R268 E269 Q273 G274 V275 | M246-C271 HydrophobicContact CE-CB 4.24Å; M246-C271 WeakPolarHBondContact CE-O 3.32Å; L250-C271 HydrophobicContact CD1-CB 3.86Å; L250-C271 HydrophobicContact CD2-CB 4.06Å; L250-C271 HydrophobicContact CG-CB 3.73Å; V267-C271 PolarHBondContact O-N 3.12Å; V267-C271 PolarHBondContact O-SG 3.4Å; R268-C271 PolarHBondContact O-N 3.18Å; E269-C271 VanDerWaalsContact C-N 3.34Å; E269-C271 PolarHBondContact O-N 3.08Å; C271-Q273 VanDerWaalsContact C-N 3.34Å; C271-Q273 PolarHBondContact O-N 2.96Å; C271-G274 PolarHBondContact O-N 3Å; C271-G274 VanDerWaalsContact O-N 3.15Å; C271-V275 WeakPolarHBondContact O-CG2 3.39Å; C271-V275 PolarHBondContact O-N 3.39Å |
| 272 | A | 93.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.3 | -40.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L250 R268 E269 G274 V275 G276 L316 I317 Y320 | L250-A272 HydrophobicContact CD2-CB 4.31Å; R268-A272 VanDerWaalsContact O-CB 3.28Å; R268-A272 WeakPolarHBondContact O-CB 3.43Å; R268-A272 PolarHBondContact O-N 3.01Å; E269-A272 PolarHBondContact O-N 3.26Å; A272-G274 VanDerWaalsContact C-N 3.32Å; A272-G274 PolarHBondContact O-N 3.27Å; A272-V275 PolarHBondContact O-N 2.85Å; A272-G276 PolarHBondContact O-N 3.24Å; A272-L316 HydrophobicContact CB-CB 3.65Å; A272-I317 HydrophobicContact CB-CG1 4.14Å; A272-Y320 HydrophobicContact CB-CD2 3.99Å; A272-Y320 HydrophobicContact CB-CE2 4.49Å |
| 273 | Q | 91.4 | Very high | 86.7 | Confident | 50 Ų | 50 | 20.6 Ų | 20.6 | 23% | 0.234 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.5 | -43.6 | 172.6 | -73.7 | 176.3 | 5 | 0 | 0 | 111.9 | K227 E269 C271 G276 A277 Y320 | K227-Q273 HydrophobicContact CD-CB 3.58Å; K227-Q273 HydrophobicContact CD-CG 4.44Å; K227-Q273 HydrophobicContact CG-CB 3.9Å; E269-Q273 VanDerWaalsContact O-CG 3.3Å; E269-Q273 WeakPolarHBondContact O-CG 3.29Å; E269-Q273 PolarHBondContact O-N 3.21Å; C271-Q273 VanDerWaalsContact C-N 3.34Å; C271-Q273 PolarHBondContact O-N 2.96Å; Q273-G276 PolarHBondContact O-N 3.5Å; Q273-A277 WeakPolarHBondContact O-CB 3.25Å; Q273-A277 PolarHBondContact O-N 3.36Å; Q273-Y320 HydrophobicContact CB-CD2 4.42Å; Q273-Y320 HydrophobicContact CB-CG 4.44Å; Q273-Y320 HydrophobicContact CG-CD1 3.81Å; Q273-Y320 HydrophobicContact CG-CD2 3.75Å; Q273-Y320 HydrophobicContact CG-CE1 3.5Å; Q273-Y320 VanDerWaalsContact CG-CE1 3.5Å; Q273-Y320 HydrophobicContact CG-CE2 3.44Å; Q273-Y320 VanDerWaalsContact CG-CE2 3.44Å; Q273-Y320 HydrophobicContact CG-CG 3.93Å; Q273-Y320 PolarHBondContact NE2-OH 3.48Å |
| 274 | G | 89.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.1 | -40.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A270 C271 A272 A277 V278 | A270-G274 PolarHBondContact O-N 3.45Å; A270-G274 VanDerWaalsContact O-N 3.16Å; C271-G274 PolarHBondContact O-N 3Å; C271-G274 VanDerWaalsContact O-N 3.15Å; A272-G274 VanDerWaalsContact C-N 3.32Å; A272-G274 PolarHBondContact O-N 3.27Å; G274-A277 PolarHBondContact O-N 3.14Å; G274-V278 PolarHBondContact O-N 3.45Å |
| 275 | V | 90.6 | Very high | 87 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.7 | -49.8 | 172.4 | 174.4 | 0 | 0 | 0 | 0 | 110.1 | L243 M246 L250 C271 A272 A277 V278 T279 L290 I317 | L243-V275 HydrophobicContact CD1-CB 4.25Å; L243-V275 HydrophobicContact CD1-CG1 3.99Å; L243-V275 HydrophobicContact CD1-CG2 3.89Å; M246-V275 HydrophobicContact CB-CG2 4.24Å; L250-V275 HydrophobicContact CD1-CG2 4.06Å; C271-V275 WeakPolarHBondContact O-CG2 3.39Å; C271-V275 PolarHBondContact O-N 3.39Å; A272-V275 PolarHBondContact O-N 2.85Å; V275-A277 PolarHBondContact O-N 3.02Å; V275-V278 PolarHBondContact O-N 3.46Å; V275-T279 PolarHBondContact O-N 2.95Å; V275-T279 PolarHBondContact O-OG1 3.26Å; V275-T279 VanDerWaalsContact O-OG1 3.08Å; V275-L290 HydrophobicContact CG1-CD1 4.18Å; V275-L290 HydrophobicContact CG1-CD2 4.12Å; V275-I317 HydrophobicContact CB-CG2 4.34Å; V275-I317 HydrophobicContact CG1-CG2 3.63Å |
| 276 | G | 88.5 | Confident | 86.8 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.1 | -42.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A272 Q273 V278 T279 A324 | A272-G276 PolarHBondContact O-N 3.24Å; Q273-G276 PolarHBondContact O-N 3.5Å; G276-V278 VanDerWaalsContact C-N 3.3Å; G276-V278 PolarHBondContact O-N 2.99Å; G276-T279 WeakPolarHBondContact O-CB 3.24Å; G276-T279 PolarHBondContact O-N 3.17Å; G276-A324 WeakPolarHBondContact O-CB 3.37Å |
| 277 | A | 85.5 | Confident | 86.7 | Confident | 35 Ų | 35 | 28.7 Ų | 28.7 | 29% | 0.289 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.3 | -28 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P231 Q273 G274 V275 F281 | P231-A277 HydrophobicContact CG-CB 3.83Å; Q273-A277 WeakPolarHBondContact O-CB 3.25Å; Q273-A277 PolarHBondContact O-N 3.36Å; G274-A277 PolarHBondContact O-N 3.14Å; V275-A277 PolarHBondContact O-N 3.02Å; A277-F281 WeakPolarHBondContact O-CD2 3.39Å; A277-F281 WeakPolarHBondContact O-CE2 3.18Å |
| 278 | V | 86.1 | Confident | 86.5 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -86.2 | -24.5 | 178.6 | 159.2 | 0 | 0 | 0 | 0 | 113.7 | L230 P231 G274 V275 G276 P280 F281 L282 | L230-V278 VanDerWaalsContact C-CG2 3.44Å; L230-V278 HydrophobicContact CB-CG2 3.48Å; L230-V278 VanDerWaalsContact CB-CG2 3.48Å; L230-V278 HydrophobicContact CD2-CB 4.26Å; L230-V278 HydrophobicContact CD2-CG2 3.76Å; L230-V278 HydrophobicContact CG-CG2 3.96Å; L230-V278 WeakPolarHBondContact O-CG2 3.25Å; P231-V278 HydrophobicContact CG-CG2 4.47Å; G274-V278 PolarHBondContact O-N 3.45Å; V275-V278 PolarHBondContact O-N 3.46Å; G276-V278 VanDerWaalsContact C-N 3.3Å; G276-V278 PolarHBondContact O-N 2.99Å; V278-P280 VanDerWaalsContact C-CD 3.43Å; V278-P280 VanDerWaalsContact C-N 3.34Å; V278-P280 VanDerWaalsContact O-N 3.15Å; V278-F281 PolarHBondContact O-N 2.77Å; V278-L282 HydrophobicContact CG1-CD1 4.2Å; V278-L282 HydrophobicContact CG1-CD2 3.76Å; V278-L282 HydrophobicContact CG1-CG 3.82Å; V278-L282 PolarHBondContact O-N 3.31Å |
| 279 | T | 85.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -46.9 | -46.5 | -176.6 | -60.6 | 0 | 0 | 0 | 0 | 114.3 | V275 G276 F281 L282 Q287 M321 V325 | V275-T279 PolarHBondContact O-N 2.95Å; V275-T279 PolarHBondContact O-OG1 3.26Å; V275-T279 VanDerWaalsContact O-OG1 3.08Å; G276-T279 WeakPolarHBondContact O-CB 3.24Å; G276-T279 PolarHBondContact O-N 3.17Å; T279-F281 PolarHBondContact O-N 3.28Å; T279-F281 VanDerWaalsContact O-N 3.14Å; T279-L282 PolarHBondContact O-N 3.01Å; T279-Q287 HydrophobicContact CG2-CG 4.45Å; T279-Q287 PolarHBondContact O-NE2 3.02Å; T279-M321 HydrophobicContact CG2-CE 3.66Å; T279-M321 HydrophobicContact CG2-CG 4.47Å; T279-M321 WeakPolarHBondContact OG1-CG 3.22Å; T279-V325 HydrophobicContact CG2-CG2 3.52Å |
| 280 | P | 82.2 | Confident | 86.3 | Confident | 20 Ų | 20 | 34.8 Ų | 34.8 | 13% | 0.13 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -62.8 | -21.2 | 180 | -22.5 | 34.7 | 0 | 0 | 0 | 114.6 | V278 A324 H328 | V278-P280 VanDerWaalsContact C-CD 3.43Å; V278-P280 VanDerWaalsContact C-N 3.34Å; V278-P280 VanDerWaalsContact O-N 3.15Å; P280-A324 HydrophobicContact CG-CB 3.89Å; P280-H328 HydrophobicContact CB-CB 4.06Å; P280-H328 HydrophobicContact CG-CB 4.25Å |
| 281 | F | 79.3 | Confident | 86.2 | Confident | 115 Ų | 115 | 34.8 Ų | 34.8 | 50% | 0.504 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -95.3 | -9.4 | -176.7 | -54.8 | -73 | 0 | 0 | 0 | 113.7 | P231 A277 V278 T279 | P231-F281 HydrophobicContact CB-CE2 4.08Å; A277-F281 WeakPolarHBondContact O-CD2 3.39Å; A277-F281 WeakPolarHBondContact O-CE2 3.18Å; V278-F281 PolarHBondContact O-N 2.77Å; T279-F281 PolarHBondContact O-N 3.28Å; T279-F281 VanDerWaalsContact O-N 3.14Å |
| 282 | L | 82 | Confident | 86 | Confident | 17 Ų | 17 | 40 Ų | 40 | 9% | 0.089 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -75.8 | 153.9 | 177.5 | -63.7 | 177.7 | 0 | 0 | 0 | 111.4 | L243 V278 T279 L286 Q287 L290 | L243-L282 HydrophobicContact CD2-CD1 4.2Å; V278-L282 HydrophobicContact CG1-CD1 4.2Å; V278-L282 HydrophobicContact CG1-CD2 3.76Å; V278-L282 HydrophobicContact CG1-CG 3.82Å; V278-L282 PolarHBondContact O-N 3.31Å; T279-L282 PolarHBondContact O-N 3.01Å; L282-L286 HydrophobicContact CB-CB 4.16Å; L282-L286 HydrophobicContact CD2-CD1 4.46Å; L282-Q287 HydrophobicContact CB-CG 3.87Å; L282-Q287 PolarHBondContact O-NE2 3.43Å; L282-L290 HydrophobicContact CD1-CD2 4.06Å |
| 283 | S | 81.7 | Confident | 85.9 | Confident | 54 Ų | 54 | 40.6 Ų | 40.6 | 38% | 0.378 | 21% | 0.21 | S | C | . | . | trans | -64.5 | 153.7 | 170.4 | 62.4 | 0 | 0 | 0 | 0 | 110.5 | E285 L286 Q287 | S283-E285 PolarHBondContact O-N 3.15Å; S283-E285 VanDerWaalsContact O-N 3.16Å; S283-L286 PolarHBondContact O-N 3.08Å; S283-L286 WeakPolarHBondContact OG-CD1 3.47Å; S283-L286 WeakPolarHBondContact OG-CG 3.29Å; S283-Q287 WeakPolarHBondContact O-CG 3.41Å; S283-Q287 PolarHBondContact O-N 3.3Å | ||
| 284 | T | 80.2 | Confident | 85.9 | Confident | 84 Ų | 84 | 38.2 Ų | 38.2 | 52% | 0.515 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -54.9 | -37.6 | -179.1 | -44.9 | 0 | 0 | 0 | 0 | 112.5 | Q287 H288 | T284-Q287 PolarHBondContact O-N 3.29Å; T284-H288 PolarHBondContact O-N 3.49Å; T284-H288 PolarHBondContact O-ND1 2.91Å |
| 285 | E | 81.1 | Confident | 86 | Confident | 149 Ų | 149 | 39.4 Ų | 39.4 | 70% | 0.696 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -62.8 | -44.1 | 175.4 | -173.5 | -178.7 | 178.1 | 0 | 0 | 112.5 | S283 H288 R289 | S283-E285 PolarHBondContact O-N 3.15Å; S283-E285 VanDerWaalsContact O-N 3.16Å; E285-H288 PolarHBondContact O-N 2.6Å; E285-R289 PolarHBondContact O-N 3.46Å; E285-R289 VanDerWaalsContact O-N 3.11Å |
| 286 | L | 83.7 | Confident | 85.9 | Confident | 31 Ų | 31 | 41.7 Ų | 41.7 | 16% | 0.162 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.4 | -34.7 | 178.1 | -72.3 | 172.1 | 0 | 0 | 0 | 112.1 | L100 L240 L282 S283 R289 L290 | L100-L286 HydrophobicContact CB-CD2 4.26Å; L240-L286 HydrophobicContact CD2-CD1 3.94Å; L240-L286 HydrophobicContact CD2-CD2 3.9Å; L282-L286 HydrophobicContact CB-CB 4.16Å; L282-L286 HydrophobicContact CD2-CD1 4.46Å; S283-L286 PolarHBondContact O-N 3.08Å; S283-L286 WeakPolarHBondContact OG-CD1 3.47Å; S283-L286 WeakPolarHBondContact OG-CG 3.29Å; L286-R289 PolarHBondContact O-N 3.18Å; L286-L290 WeakPolarHBondContact O-CB 3.28Å; L286-L290 PolarHBondContact O-N 3.43Å |
| 287 | Q | 85.3 | Confident | 86 | Confident | 14 Ų | 14 | 41.7 Ų | 41.7 | 7% | 0.065 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.1 | -47.2 | 172.9 | -71 | 175.8 | -12.1 | 0 | 0 | 111.1 | T279 L282 S283 T284 R289 L290 Y291 | T279-Q287 HydrophobicContact CG2-CG 4.45Å; T279-Q287 PolarHBondContact O-NE2 3.02Å; L282-Q287 HydrophobicContact CB-CG 3.87Å; L282-Q287 PolarHBondContact O-NE2 3.43Å; S283-Q287 WeakPolarHBondContact O-CG 3.41Å; S283-Q287 PolarHBondContact O-N 3.3Å; T284-Q287 PolarHBondContact O-N 3.29Å; Q287-R289 VanDerWaalsContact C-N 3.33Å; Q287-R289 PolarHBondContact O-N 3.01Å; Q287-L290 WeakPolarHBondContact O-CB 3.27Å; Q287-L290 PolarHBondContact O-N 2.94Å; Q287-Y291 HydrophobicContact CB-CE2 4.41Å; Q287-Y291 WeakPolarHBondContact O-CD2 3.49Å; Q287-Y291 PolarHBondContact O-N 3.13Å |
| 288 | H | 86 | Confident | 86.2 | Confident | 78 Ų | 78 | 40.5 Ų | 40.5 | 36% | 0.361 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.3 | -44.5 | 176.6 | -77.4 | 76.9 | 0 | 0 | 0 | 111.6 | T284 E285 L290 Y291 D292 | T284-H288 PolarHBondContact O-N 3.49Å; T284-H288 PolarHBondContact O-ND1 2.91Å; E285-H288 PolarHBondContact O-N 2.6Å; H288-L290 VanDerWaalsContact C-N 3.32Å; H288-L290 PolarHBondContact O-N 2.89Å; H288-Y291 WeakPolarHBondContact O-CB 3.41Å; H288-Y291 PolarHBondContact O-N 3.26Å; H288-D292 PolarHBondContact O-N 3.41Å |
| 289 | R | 86.2 | Confident | 86.3 | Confident | 78 Ų | 78 | 46.6 Ų | 46.6 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64 | -36.7 | 176.9 | -164.6 | 164.9 | 179.7 | 165.4 | -5.9 | 112.7 | L100 N101 E285 L286 Q287 D292 I293 | L100-R289 PolarHBondContact O-NE 2.89Å; L100-R289 PolarHBondContact O-NH2 3.05Å; N101-R289 PolarHBondContact OD1-NH2 3.48Å; E285-R289 PolarHBondContact O-N 3.46Å; E285-R289 VanDerWaalsContact O-N 3.11Å; L286-R289 PolarHBondContact O-N 3.18Å; Q287-R289 VanDerWaalsContact C-N 3.33Å; Q287-R289 PolarHBondContact O-N 3.01Å; R289-D292 PolarHBondContact O-N 2.93Å; R289-I293 WeakPolarHBondContact O-CG1 3.26Å; R289-I293 PolarHBondContact O-N 2.91Å |
| 290 | L | 89.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -41.8 | 173.8 | -175.5 | 61.2 | 0 | 0 | 0 | 111.3 | L243 L247 V275 L282 L286 Q287 H288 D292 I293 V294 M321 | L243-L290 HydrophobicContact CD2-CD1 4.45Å; L247-L290 HydrophobicContact CD1-CD1 4.25Å; L247-L290 HydrophobicContact CD2-CD1 4.39Å; V275-L290 HydrophobicContact CG1-CD1 4.18Å; V275-L290 HydrophobicContact CG1-CD2 4.12Å; L282-L290 HydrophobicContact CD1-CD2 4.06Å; L286-L290 WeakPolarHBondContact O-CB 3.28Å; L286-L290 PolarHBondContact O-N 3.43Å; Q287-L290 WeakPolarHBondContact O-CB 3.27Å; Q287-L290 PolarHBondContact O-N 2.94Å; H288-L290 VanDerWaalsContact C-N 3.32Å; H288-L290 PolarHBondContact O-N 2.89Å; L290-D292 VanDerWaalsContact C-N 3.34Å; L290-D292 PolarHBondContact O-N 3.41Å; L290-I293 PolarHBondContact O-N 3.39Å; L290-V294 WeakPolarHBondContact O-CG2 3.35Å; L290-V294 PolarHBondContact O-N 3.15Å; L290-M321 HydrophobicContact CD2-CE 3.75Å; L290-M321 HydrophobicContact CD2-SD 3.89Å; L290-M321 HydrophobicContact CG-CE 3.91Å; L290-M321 HydrophobicContact CG-SD 3.98Å |
| 291 | Y | 90.5 | Very high | 85.7 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 172.7 | -73.5 | -62.4 | 0 | 0 | 0 | 111.9 | Q287 H288 I293 V294 V295 M321 V334 P335 F338 | Q287-Y291 HydrophobicContact CB-CE2 4.41Å; Q287-Y291 WeakPolarHBondContact O-CD2 3.49Å; Q287-Y291 PolarHBondContact O-N 3.13Å; H288-Y291 WeakPolarHBondContact O-CB 3.41Å; H288-Y291 PolarHBondContact O-N 3.26Å; Y291-I293 VanDerWaalsContact C-N 3.32Å; Y291-I293 PolarHBondContact O-N 3.23Å; Y291-V294 PolarHBondContact O-N 2.99Å; Y291-V295 WeakPolarHBondContact O-CG2 3.46Å; Y291-V295 PolarHBondContact O-N 3.43Å; Y291-M321 HydrophobicContact CD1-CE 3.71Å; Y291-M321 HydrophobicContact CE1-CE 3.49Å; Y291-M321 VanDerWaalsContact CE1-CE 3.49Å; Y291-M321 HydrophobicContact CE2-CE 4.46Å; Y291-M321 HydrophobicContact CG-CE 4.3Å; Y291-V334 HydrophobicContact CE1-CG1 4.11Å; Y291-P335 HydrophobicContact CD2-CG 3.66Å; Y291-P335 HydrophobicContact CE2-CG 4.31Å; Y291-P335 HydrophobicContact CG-CG 3.92Å; Y291-F338 HydrophobicContact CD1-CB 4.13Å; Y291-F338 AromaticContact CD1-CD1 3.73Å; Y291-F338 HydrophobicContact CD1-CD1 3.73Å; Y291-F338 AromaticContact CD1-CD2 3.65Å; Y291-F338 HydrophobicContact CD1-CD2 3.65Å; Y291-F338 AromaticContact CD1-CE1 3.97Å; Y291-F338 HydrophobicContact CD1-CE1 3.97Å; Y291-F338 AromaticContact CD1-CE2 3.89Å; Y291-F338 HydrophobicContact CD1-CE2 3.89Å; Y291-F338 AromaticContact CD1-CG 3.55Å; Y291-F338 HydrophobicContact CD1-CG 3.55Å; Y291-F338 HydrophobicContact CD1-CZ 4.04Å; Y291-F338 AromaticContact CE1-CD1 3.78Å; Y291-F338 HydrophobicContact CE1-CD1 3.78Å; Y291-F338 HydrophobicContact CE1-CD2 4.42Å; Y291-F338 AromaticContact CE1-CE1 3.76Å; Y291-F338 HydrophobicContact CE1-CE1 3.76Å; Y291-F338 HydrophobicContact CE1-CE2 4.39Å; Y291-F338 HydrophobicContact CE1-CG 4.11Å; Y291-F338 HydrophobicContact CE1-CZ 4.07Å; Y291-F338 HydrophobicContact CG-CG 4.42Å |
| 292 | D | 89.3 | Confident | 84.9 | Confident | 109 Ų | 109 | 50.5 Ų | 50.5 | 58% | 0.583 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.1 | -40.8 | 176.9 | -69 | -28.8 | 0 | 0 | 0 | 112 | H288 R289 L290 V295 S296 | H288-D292 PolarHBondContact O-N 3.41Å; R289-D292 PolarHBondContact O-N 2.93Å; L290-D292 VanDerWaalsContact C-N 3.34Å; L290-D292 PolarHBondContact O-N 3.41Å; D292-V295 PolarHBondContact O-N 2.89Å; D292-S296 PolarHBondContact O-N 2.61Å |
| 293 | I | 90.1 | Very high | 83.5 | Confident | 14 Ų | 14 | 56.2 Ų | 56.2 | 7% | 0.072 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 174 | -69.4 | 162.7 | 0 | 0 | 0 | 110.4 | L100 F102 L247 R289 L290 Y291 V295 S296 F297 | L100-I293 HydrophobicContact CD2-CD1 3.47Å; L100-I293 VanDerWaalsContact CD2-CD1 3.47Å; L100-I293 HydrophobicContact CG-CD1 4.25Å; F102-I293 HydrophobicContact CB-CD1 4.12Å; F102-I293 HydrophobicContact CD1-CD1 4.41Å; F102-I293 HydrophobicContact CD1-CG1 4.39Å; F102-I293 HydrophobicContact CD1-CG2 3.6Å; F102-I293 HydrophobicContact CE1-CG2 3.94Å; L247-I293 HydrophobicContact CD1-CD1 4.35Å; L247-I293 HydrophobicContact CD1-CG2 4.32Å; L247-I293 HydrophobicContact CD2-CG2 4.21Å; R289-I293 WeakPolarHBondContact O-CG1 3.26Å; R289-I293 PolarHBondContact O-N 2.91Å; L290-I293 PolarHBondContact O-N 3.39Å; Y291-I293 VanDerWaalsContact C-N 3.32Å; Y291-I293 PolarHBondContact O-N 3.23Å; I293-V295 VanDerWaalsContact C-N 3.33Å; I293-V295 PolarHBondContact O-N 3.21Å; I293-S296 WeakPolarHBondContact O-CA 3.39Å; I293-S296 WeakPolarHBondContact O-CB 3.39Å; I293-S296 PolarHBondContact O-N 3.25Å; I293-S296 PolarHBondContact O-OG 3.37Å; I293-F297 HydrophobicContact CG2-CD2 4.15Å; I293-F297 HydrophobicContact CG2-CE2 3.96Å; I293-F297 WeakPolarHBondContact O-CD2 3.18Å; I293-F297 PolarHBondContact O-N 3.38Å |
| 294 | V | 91.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 179.9 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | L290 Y291 S296 F297 L298 G314 I317 M321 F338 | L290-V294 WeakPolarHBondContact O-CG2 3.35Å; L290-V294 PolarHBondContact O-N 3.15Å; Y291-V294 PolarHBondContact O-N 2.99Å; V294-S296 PolarHBondContact O-N 3.04Å; V294-F297 WeakPolarHBondContact O-CB 3.35Å; V294-F297 PolarHBondContact O-N 2.92Å; V294-L298 HydrophobicContact CG1-CD1 4.22Å; V294-L298 HydrophobicContact CG1-CG 4.31Å; V294-L298 WeakPolarHBondContact O-CG 3.35Å; V294-L298 PolarHBondContact O-N 3.05Å; V294-G314 WeakPolarHBondContact CG1-O 3.45Å; V294-I317 HydrophobicContact CG1-CB 4.47Å; V294-I317 HydrophobicContact CG2-CB 4.23Å; V294-I317 HydrophobicContact CG2-CD1 4.37Å; V294-I317 HydrophobicContact CG2-CG2 3.56Å; V294-M321 HydrophobicContact CG2-SD 3.97Å; V294-F338 HydrophobicContact CB-CD2 4.44Å; V294-F338 HydrophobicContact CB-CE2 3.97Å; V294-F338 HydrophobicContact CG1-CD2 4.43Å; V294-F338 HydrophobicContact CG1-CE2 3.66Å |
| 295 | V | 91.8 | Very high | 80.8 | Confident | 24 Ų | 24 | 61 Ų | 61 | 15% | 0.145 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.4 | -36.8 | 172.1 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | Y291 D292 I293 F297 L298 K299 F338 A341 | Y291-V295 WeakPolarHBondContact O-CG2 3.46Å; Y291-V295 PolarHBondContact O-N 3.43Å; D292-V295 PolarHBondContact O-N 2.89Å; I293-V295 VanDerWaalsContact C-N 3.33Å; I293-V295 PolarHBondContact O-N 3.21Å; V295-F297 VanDerWaalsContact C-N 3.32Å; V295-F297 PolarHBondContact O-N 2.99Å; V295-L298 PolarHBondContact O-N 3.36Å; V295-K299 HydrophobicContact CG1-CD 4.02Å; V295-K299 HydrophobicContact CG1-CG 4.39Å; V295-K299 PolarHBondContact O-N 3.49Å; V295-F338 HydrophobicContact CG2-CB 4.06Å; V295-F338 HydrophobicContact CG2-CD2 4.09Å; V295-A341 HydrophobicContact CG1-CB 4.42Å; V295-A341 HydrophobicContact CG2-CB 4.3Å |
| 296 | S | 89.1 | Confident | 79.5 | Confident | 49 Ų | 49 | 61.6 Ų | 61.6 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.9 | -33.2 | 175.3 | 83.4 | 0 | 0 | 0 | 0 | 113.3 | D292 I293 V294 F300 | D292-S296 PolarHBondContact O-N 2.61Å; I293-S296 WeakPolarHBondContact O-CA 3.39Å; I293-S296 WeakPolarHBondContact O-CB 3.39Å; I293-S296 PolarHBondContact O-N 3.25Å; I293-S296 PolarHBondContact O-OG 3.37Å; V294-S296 PolarHBondContact O-N 3.04Å; S296-F300 PolarHBondContact O-N 3.38Å |
| 297 | F | 90.5 | Very high | 78.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.2 | -46.7 | 171.9 | -85.1 | -94.6 | 0 | 0 | 0 | 111.8 | F102 L104 L247 L250 A251 I293 V294 V295 K299 F300 C310 P311 | F102-F297 AromaticContact CE1-CE2 3.64Å; F102-F297 HydrophobicContact CE1-CE2 3.64Å; F102-F297 HydrophobicContact CE1-CZ 4.02Å; F102-F297 HydrophobicContact CZ-CE2 4.13Å; F102-F297 HydrophobicContact CZ-CZ 4.03Å; L104-F297 HydrophobicContact CD1-CD1 4.12Å; L104-F297 HydrophobicContact CD1-CD2 4.43Å; L104-F297 HydrophobicContact CD1-CE1 3.68Å; L104-F297 HydrophobicContact CD1-CE2 4.02Å; L104-F297 HydrophobicContact CD1-CG 4.49Å; L104-F297 HydrophobicContact CD1-CZ 3.63Å; L104-F297 HydrophobicContact CD2-CB 4.45Å; L104-F297 HydrophobicContact CD2-CD1 4.18Å; L104-F297 HydrophobicContact CD2-CD2 4.12Å; L104-F297 HydrophobicContact CD2-CE2 4.48Å; L104-F297 HydrophobicContact CD2-CG 3.97Å; L247-F297 HydrophobicContact CD2-CE2 4.43Å; L250-F297 HydrophobicContact CB-CE1 4.49Å; L250-F297 HydrophobicContact CB-CZ 4.47Å; A251-F297 HydrophobicContact CB-CE1 3.87Å; A251-F297 HydrophobicContact CB-CZ 3.87Å; I293-F297 HydrophobicContact CG2-CD2 4.15Å; I293-F297 HydrophobicContact CG2-CE2 3.96Å; I293-F297 WeakPolarHBondContact O-CD2 3.18Å; I293-F297 PolarHBondContact O-N 3.38Å; V294-F297 WeakPolarHBondContact O-CB 3.35Å; V294-F297 PolarHBondContact O-N 2.92Å; V295-F297 VanDerWaalsContact C-N 3.32Å; V295-F297 PolarHBondContact O-N 2.99Å; F297-K299 PolarHBondContact O-N 2.84Å; F297-F300 WeakPolarHBondContact O-CB 3.48Å; F297-F300 PolarHBondContact O-N 3.27Å; F297-C310 HydrophobicContact CD1-CB 4.49Å; F297-P311 WeakPolarHBondContact O-CA 3.31Å |
| 298 | L | 90 | Very high | 78.8 | Confident | 11 Ų | 11 | 64.8 Ų | 64.8 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.3 | -39 | -176.8 | -65.7 | 173.7 | 0 | 0 | 0 | 112.5 | V294 V295 F300 L315 A341 V342 | V294-L298 HydrophobicContact CG1-CD1 4.22Å; V294-L298 HydrophobicContact CG1-CG 4.31Å; V294-L298 WeakPolarHBondContact O-CG 3.35Å; V294-L298 PolarHBondContact O-N 3.05Å; V295-L298 PolarHBondContact O-N 3.36Å; L298-F300 VanDerWaalsContact C-N 3.32Å; L298-L315 HydrophobicContact CD2-CB 4.4Å; L298-L315 HydrophobicContact CD2-CD2 3.54Å; L298-L315 HydrophobicContact CD2-CG 3.56Å; L298-A341 HydrophobicContact CB-CB 4.4Å; L298-A341 HydrophobicContact CD1-CB 3.91Å; L298-V342 HydrophobicContact CD1-CG2 3.66Å |
| 299 | K | 87 | Confident | 78.7 | Confident | 129 Ų | 129 | 61.1 Ų | 61.1 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 10.2 | -179.4 | -64.8 | -172.1 | 175.2 | -176.2 | 0 | 113.7 | V295 F297 N301 | V295-K299 HydrophobicContact CG1-CD 4.02Å; V295-K299 HydrophobicContact CG1-CG 4.39Å; V295-K299 PolarHBondContact O-N 3.49Å; F297-K299 PolarHBondContact O-N 2.84Å; K299-N301 PolarHBondContact O-N 2.9Å |
| 300 | F | 83.2 | Confident | 78.7 | Confident | 42 Ų | 42 | 57.4 Ų | 57.4 | 18% | 0.184 | 32% | 0.321 | C | S | . | . | trans | -73 | 98.6 | -177.6 | -168.5 | -95.8 | 0 | 0 | 0 | 111.1 | L104 L108 S296 F297 L298 S302 D307 C310 | L104-F300 HydrophobicContact CD2-CB 4.41Å; L104-F300 HydrophobicContact CD2-CD2 3.89Å; L104-F300 HydrophobicContact CD2-CG 4.33Å; L104-F300 HydrophobicContact CG-CD2 4.45Å; L108-F300 HydrophobicContact CD1-CD2 4.5Å; L108-F300 HydrophobicContact CD1-CE1 3.93Å; L108-F300 HydrophobicContact CD1-CE2 3.78Å; L108-F300 HydrophobicContact CD1-CZ 3.45Å; L108-F300 VanDerWaalsContact CD1-CZ 3.45Å; S296-F300 PolarHBondContact O-N 3.38Å; F297-F300 WeakPolarHBondContact O-CB 3.48Å; F297-F300 PolarHBondContact O-N 3.27Å; L298-F300 VanDerWaalsContact C-N 3.32Å; F300-S302 WeakPolarHBondContact CE1-OG 3.31Å; F300-D307 HydrophobicContact CE1-CB 4.38Å; F300-C310 HydrophobicContact CB-CB 4.15Å; F300-C310 HydrophobicContact CD1-CB 3.87Å; F300-C310 HydrophobicContact CG-CB 4.21Å | ||
| 301 | N | 72.8 | Confident | 78.7 | Confident | 138 Ų | 138 | 57.6 Ų | 57.6 | 74% | 0.738 | 32% | 0.322 | S | S | * | . | trans | -118.3 | 99.9 | 171.7 | -81.7 | -10.6 | 0 | 0 | 0 | 109.7 | K299 | K299-N301 PolarHBondContact O-N 2.9Š| ||
| 302 | S | 62.3 | Low | 78.6 | Confident | 36 Ų | 36 | 58 Ų | 58 | 25% | 0.252 | 32% | 0.324 | S | S | . | . | trans | -88.4 | 116.6 | 172.4 | 40 | 0 | 0 | 0 | 0 | 110.6 | F300 G304 K305 | F300-S302 WeakPolarHBondContact CE1-OG 3.31Å; S302-G304 PolarHBondContact O-N 3.04Å; S302-K305 PolarHBondContact O-N 3.34Å; S302-K305 PolarHBondContact OG-O 2.94Å | ||
| 303 | P | 51.1 | Low | 78.6 | Confident | 137 Ų | 137 | 52.9 Ų | 52.9 | 89% | 0.89 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 122.3 | 180 | 23 | -31.4 | 0 | 0 | 0 | 110.9 | ||
| 304 | G | 53.3 | Low | 78.7 | Confident | 85 Ų | 85 | 52.2 Ų | 52.2 | 88% | 0.876 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.7 | 3.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S302 | S302-G304 PolarHBondContact O-N 3.04Š|
| 305 | K | 53.8 | Low | 78.8 | Confident | 153 Ų | 153 | 52.2 Ų | 52.2 | 67% | 0.665 | 29% | 0.293 | S | S | * | . | trans | -130.3 | 111.4 | 167.9 | -73.6 | -175.6 | 177.2 | -175.3 | 0 | 108.6 | S302 D307 | S302-K305 PolarHBondContact O-N 3.34Å; S302-K305 PolarHBondContact OG-O 2.94Å; K305-D307 PolarHBondContact O-N 2.82Å | ||
| 306 | D | 53.7 | Low | 78.8 | Confident | 162 Ų | 162 | 51.3 Ų | 51.3 | 87% | 0.866 | 29% | 0.288 | S | S | * | . | trans | -68.4 | 68.9 | 171.7 | -73.1 | -21.4 | 0 | 0 | 0 | 110.4 | W308 | D306-W308 PolarHBondContact O-N 3.06Š| ||
| 307 | D | 70.7 | Confident | 78.9 | Confident | 41 Ų | 41 | 49 Ų | 49 | 22% | 0.219 | 27% | 0.271 | C | S | . | . | trans | -87.8 | 51.2 | -175 | -134.7 | -3.7 | 0 | 0 | 0 | 110.3 | R254 F300 K305 A309 C310 P311 | R254-D307 IonicContact CZ-OD1 3.59Å; R254-D307 IonicContact NE-OD1 2.85Å; R254-D307 PolarHBondContact NE-OD1 3.01Å; R254-D307 IonicContact NH2-OD1 2.81Å; R254-D307 PolarHBondContact NH2-OD1 3.32Å; R254-D307 IonicContact NH2-OD2 3.65Å; R254-D307 PolarHBondContact NH2-OD2 3.38Å; F300-D307 HydrophobicContact CE1-CB 4.38Å; K305-D307 PolarHBondContact O-N 2.82Å; D307-A309 PolarHBondContact O-N 3.02Å; D307-C310 PolarHBondContact O-N 3.07Å; D307-C310 VanDerWaalsContact O-N 3.12Å; D307-P311 WeakPolarHBondContact O-CD 3.4Å | ||
| 308 | W | 82.8 | Confident | 79 | Confident | 71 Ų | 71 | 49 Ų | 49 | 27% | 0.269 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -23.8 | 179.5 | 67.6 | -92.4 | 0 | 0 | 0 | 113.2 | V263 D306 C310 P311 F312 N350 I353 | V263-W308 HydrophobicContact CB-CH2 4.47Å; V263-W308 HydrophobicContact CG1-CH2 3.76Å; V263-W308 HydrophobicContact CG1-CZ3 4.09Å; V263-W308 HydrophobicContact CG2-CH2 3.94Å; V263-W308 HydrophobicContact CG2-CZ3 4.37Å; D306-W308 PolarHBondContact O-N 3.06Å; W308-C310 VanDerWaalsContact C-N 3.3Å; W308-C310 PolarHBondContact O-N 3.03Å; W308-P311 WeakPolarHBondContact O-CD 3.44Å; W308-F312 HydrophobicContact CE3-CB 3.99Å; W308-F312 HydrophobicContact CE3-CG 4.35Å; W308-F312 HydrophobicContact CZ3-CB 4.08Å; W308-F312 HydrophobicContact CZ3-CD1 4.34Å; W308-F312 HydrophobicContact CZ3-CD2 4.2Å; W308-F312 AromaticContact CZ3-CG 3.96Å; W308-F312 HydrophobicContact CZ3-CG 3.96Å; W308-F312 WeakPolarHBondContact O-CB 3.42Å; W308-F312 PolarHBondContact O-N 3.02Å; W308-F312 VanDerWaalsContact O-N 3.09Å; W308-N350 WeakPolarHBondContact CB-ND2 3.26Å; W308-I353 HydrophobicContact CB-CD1 4.03Å |
| 309 | A | 83.5 | Confident | 79 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.4 | -33.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | R268 D307 S313 | R268-A309 PolarHBondContact NH1-O 3.27Å; R268-A309 VanDerWaalsContact NH1-O 3.16Å; D307-A309 PolarHBondContact O-N 3.02Å; A309-S313 WeakPolarHBondContact O-CB 3.31Å; A309-S313 PolarHBondContact O-N 3.23Å; A309-S313 PolarHBondContact O-OG 3.31Å |
| 310 | C | 87.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.7 | -52.8 | -179.9 | -76.2 | 0 | 0 | 0 | 0 | 112 | F297 F300 D307 W308 F312 S313 G314 | F297-C310 HydrophobicContact CD1-CB 4.49Å; F300-C310 HydrophobicContact CB-CB 4.15Å; F300-C310 HydrophobicContact CD1-CB 3.87Å; F300-C310 HydrophobicContact CG-CB 4.21Å; D307-C310 PolarHBondContact O-N 3.07Å; D307-C310 VanDerWaalsContact O-N 3.12Å; W308-C310 VanDerWaalsContact C-N 3.3Å; W308-C310 PolarHBondContact O-N 3.03Å; C310-F312 VanDerWaalsContact C-N 3.29Å; C310-F312 PolarHBondContact O-N 3.43Å; C310-S313 PolarHBondContact O-N 3.4Å; C310-G314 PolarHBondContact O-N 3.39Å |
| 311 | P | 88.9 | Confident | 79.6 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.019 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.6 | -42.7 | 170.7 | -27.2 | 33.5 | 0 | 0 | 0 | 113 | F297 D307 W308 S313 G314 L315 I353 | F297-P311 WeakPolarHBondContact O-CA 3.31Å; D307-P311 WeakPolarHBondContact O-CD 3.4Å; W308-P311 WeakPolarHBondContact O-CD 3.44Å; P311-S313 PolarHBondContact O-N 3.38Å; P311-G314 WeakPolarHBondContact O-CA 3.45Å; P311-G314 PolarHBondContact O-N 3.19Å; P311-G314 VanDerWaalsContact O-N 3.13Å; P311-L315 WeakPolarHBondContact O-CG 3.11Å; P311-L315 PolarHBondContact O-N 3.37Å; P311-I353 HydrophobicContact CB-CD1 3.87Å; P311-I353 HydrophobicContact CB-CG1 4.49Å; P311-I353 HydrophobicContact CG-CD1 4.31Å |
| 312 | F | 88.8 | Confident | 80.3 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 6% | 0.057 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59 | -48.4 | 176.6 | -179.9 | -92.5 | 0 | 0 | 0 | 112.2 | V263 A265 W308 C310 G314 L315 L316 D352 A356 | V263-F312 HydrophobicContact CG1-CE1 4.33Å; V263-F312 HydrophobicContact CG1-CE2 4.39Å; V263-F312 HydrophobicContact CG1-CZ 3.96Å; A265-F312 HydrophobicContact CB-CE1 3.98Å; W308-F312 HydrophobicContact CE3-CB 3.99Å; W308-F312 HydrophobicContact CE3-CG 4.35Å; W308-F312 HydrophobicContact CZ3-CB 4.08Å; W308-F312 HydrophobicContact CZ3-CD1 4.34Å; W308-F312 HydrophobicContact CZ3-CD2 4.2Å; W308-F312 AromaticContact CZ3-CG 3.96Å; W308-F312 HydrophobicContact CZ3-CG 3.96Å; W308-F312 WeakPolarHBondContact O-CB 3.42Å; W308-F312 PolarHBondContact O-N 3.02Å; W308-F312 VanDerWaalsContact O-N 3.09Å; C310-F312 VanDerWaalsContact C-N 3.29Å; C310-F312 PolarHBondContact O-N 3.43Å; F312-G314 VanDerWaalsContact C-N 3.29Å; F312-G314 PolarHBondContact O-N 2.82Å; F312-L315 PolarHBondContact O-N 3.49Å; F312-L316 HydrophobicContact CD1-CD1 4.03Å; F312-L316 HydrophobicContact CD1-CG 4.32Å; F312-L316 HydrophobicContact CE1-CD1 3.53Å; F312-L316 HydrophobicContact CE1-CG 4.03Å; F312-L316 HydrophobicContact CZ-CD1 4.18Å; F312-L316 HydrophobicContact CZ-CD2 4.38Å; F312-L316 HydrophobicContact CZ-CG 4.37Å; F312-L316 WeakPolarHBondContact O-CG 3.43Å; F312-L316 PolarHBondContact O-N 3Å; F312-D352 HydrophobicContact CD2-CB 4.43Å; F312-A356 HydrophobicContact CD2-CB 3.92Å; F312-A356 HydrophobicContact CE2-CB 3.97Å |
| 313 | S | 89.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.3 | -41.4 | 173.7 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | L250 R268 A309 C310 P311 L315 L316 I317 | L250-S313 WeakPolarHBondContact O-CB 3.44Å; L250-S313 PolarHBondContact O-OG 3.23Å; R268-S313 WeakPolarHBondContact CD-OG 3.4Å; A309-S313 WeakPolarHBondContact O-CB 3.31Å; A309-S313 PolarHBondContact O-N 3.23Å; A309-S313 PolarHBondContact O-OG 3.31Å; C310-S313 PolarHBondContact O-N 3.4Å; P311-S313 PolarHBondContact O-N 3.38Å; S313-L315 VanDerWaalsContact C-N 3.34Å; S313-L315 PolarHBondContact O-N 3.42Å; S313-L316 PolarHBondContact O-N 3.08Å; S313-I317 VanDerWaalsContact O-CG1 3.29Å; S313-I317 WeakPolarHBondContact O-CG1 3.48Å; S313-I317 PolarHBondContact O-N 2.89Å; S313-I317 VanDerWaalsContact O-N 3.1Å |
| 314 | G | 92.2 | Very high | 83 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.5 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V294 C310 P311 F312 I317 A318 | V294-G314 WeakPolarHBondContact CG1-O 3.45Å; C310-G314 PolarHBondContact O-N 3.39Å; P311-G314 WeakPolarHBondContact O-CA 3.45Å; P311-G314 PolarHBondContact O-N 3.19Å; P311-G314 VanDerWaalsContact O-N 3.13Å; F312-G314 VanDerWaalsContact C-N 3.29Å; F312-G314 PolarHBondContact O-N 2.82Å; G314-I317 PolarHBondContact O-N 3.41Å; G314-A318 WeakPolarHBondContact O-CB 3.37Å; G314-A318 PolarHBondContact O-N 3.49Å |
| 315 | L | 92.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.8 | -37.9 | 178.1 | -71.4 | 170.5 | 0 | 0 | 0 | 112.7 | L298 P311 F312 S313 I317 A318 K319 V342 C345 I353 A356 A357 | L298-L315 HydrophobicContact CD2-CB 4.4Å; L298-L315 HydrophobicContact CD2-CD2 3.54Å; L298-L315 HydrophobicContact CD2-CG 3.56Å; P311-L315 WeakPolarHBondContact O-CG 3.11Å; P311-L315 PolarHBondContact O-N 3.37Å; F312-L315 PolarHBondContact O-N 3.49Å; S313-L315 VanDerWaalsContact C-N 3.34Å; S313-L315 PolarHBondContact O-N 3.42Å; L315-I317 VanDerWaalsContact C-N 3.34Å; L315-A318 PolarHBondContact O-N 3.38Å; L315-K319 WeakPolarHBondContact O-CB 3.12Å; L315-K319 PolarHBondContact O-N 2.74Å; L315-V342 HydrophobicContact CD2-CG1 4.05Å; L315-C345 HydrophobicContact CD1-CB 3.97Å; L315-C345 HydrophobicContact CD2-CB 4Å; L315-C345 HydrophobicContact CG-CB 4.46Å; L315-I353 HydrophobicContact CD1-CB 4.37Å; L315-I353 HydrophobicContact CD1-CG2 3.58Å; L315-I353 WeakPolarHBondContact CD1-O 3.13Å; L315-A356 HydrophobicContact CB-CB 3.87Å; L315-A356 HydrophobicContact CD1-CB 3.94Å; L315-A357 HydrophobicContact CD1-CB 3.88Å; L315-A357 HydrophobicContact CD2-CB 3.83Å; L315-A357 HydrophobicContact CG-CB 4.48Å |
| 316 | L | 91.4 | Very high | 85.9 | Confident | 5 Ų | 5 | 25.2 Ų | 25.2 | 3% | 0.026 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.1 | -46.1 | 172.3 | -68.9 | -176.7 | 0 | 0 | 0 | 111.2 | R268 E269 A272 F312 S313 A318 K319 Y320 | R268-L316 HydrophobicContact CB-CD1 4.02Å; E269-L316 WeakPolarHBondContact OE2-CD1 3.38Å; E269-L316 WeakPolarHBondContact OE2-CD2 3.3Å; A272-L316 HydrophobicContact CB-CB 3.65Å; F312-L316 HydrophobicContact CD1-CD1 4.03Å; F312-L316 HydrophobicContact CD1-CG 4.32Å; F312-L316 HydrophobicContact CE1-CD1 3.53Å; F312-L316 HydrophobicContact CE1-CG 4.03Å; F312-L316 HydrophobicContact CZ-CD1 4.18Å; F312-L316 HydrophobicContact CZ-CD2 4.38Å; F312-L316 HydrophobicContact CZ-CG 4.37Å; F312-L316 WeakPolarHBondContact O-CG 3.43Å; F312-L316 PolarHBondContact O-N 3Å; S313-L316 PolarHBondContact O-N 3.08Å; L316-A318 VanDerWaalsContact C-N 3.31Å; L316-A318 PolarHBondContact O-N 2.96Å; L316-K319 PolarHBondContact O-N 3.42Å; L316-Y320 VanDerWaalsContact O-CD2 3.22Å; L316-Y320 WeakPolarHBondContact O-CD2 3.49Å; L316-Y320 PolarHBondContact O-N 3.33Å |
| 317 | I | 92.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 175.6 | -59.5 | 161.2 | 0 | 0 | 0 | 109.7 | L247 L250 A272 V275 V294 S313 G314 L315 K319 Y320 M321 | L247-I317 HydrophobicContact CD2-CD1 4.22Å; L250-I317 HydrophobicContact CD1-CD1 3.79Å; L250-I317 HydrophobicContact CD1-CG1 3.8Å; L250-I317 HydrophobicContact CD2-CG1 4.42Å; A272-I317 HydrophobicContact CB-CG1 4.14Å; V275-I317 HydrophobicContact CB-CG2 4.34Å; V275-I317 HydrophobicContact CG1-CG2 3.63Å; V294-I317 HydrophobicContact CG1-CB 4.47Å; V294-I317 HydrophobicContact CG2-CB 4.23Å; V294-I317 HydrophobicContact CG2-CD1 4.37Å; V294-I317 HydrophobicContact CG2-CG2 3.56Å; S313-I317 VanDerWaalsContact O-CG1 3.29Å; S313-I317 WeakPolarHBondContact O-CG1 3.48Å; S313-I317 PolarHBondContact O-N 2.89Å; S313-I317 VanDerWaalsContact O-N 3.1Å; G314-I317 PolarHBondContact O-N 3.41Å; L315-I317 VanDerWaalsContact C-N 3.34Å; I317-K319 PolarHBondContact O-N 3.35Å; I317-Y320 PolarHBondContact O-N 3.16Å; I317-M321 HydrophobicContact CG2-CG 3.9Å; I317-M321 HydrophobicContact CG2-SD 3.56Å; I317-M321 VanDerWaalsContact CG2-SD 3.56Å; I317-M321 VanDerWaalsContact O-CB 3.31Å; I317-M321 WeakPolarHBondContact O-CB 3.37Å; I317-M321 WeakPolarHBondContact O-CG 3.33Å; I317-M321 PolarHBondContact O-N 3.45Å |
| 318 | A | 91.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59 | -45.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G314 L315 L316 Y320 M321 L322 F338 V342 | G314-A318 WeakPolarHBondContact O-CB 3.37Å; G314-A318 PolarHBondContact O-N 3.49Å; L315-A318 PolarHBondContact O-N 3.38Å; L316-A318 VanDerWaalsContact C-N 3.31Å; L316-A318 PolarHBondContact O-N 2.96Å; A318-Y320 PolarHBondContact O-N 2.89Å; A318-M321 PolarHBondContact O-N 3.07Å; A318-L322 VanDerWaalsContact O-CB 3.27Å; A318-L322 WeakPolarHBondContact O-CB 3.42Å; A318-L322 WeakPolarHBondContact O-CD1 3.36Å; A318-L322 VanDerWaalsContact O-CG 3.22Å; A318-L322 WeakPolarHBondContact O-CG 3.43Å; A318-L322 PolarHBondContact O-N 3.02Å; A318-F338 HydrophobicContact CB-CE2 4.11Å; A318-F338 HydrophobicContact CB-CZ 3.64Å; A318-V342 HydrophobicContact CB-CG2 3.8Å |
| 319 | K | 91.5 | Very high | 86.7 | Confident | 51 Ų | 51 | 24.7 Ų | 24.7 | 22% | 0.222 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -51.7 | -54.2 | 175.9 | 176.5 | -179.4 | 176.4 | -179.1 | 0 | 111.7 | L315 L316 I317 L323 E359 A360 | L315-K319 WeakPolarHBondContact O-CB 3.12Å; L315-K319 PolarHBondContact O-N 2.74Å; L316-K319 PolarHBondContact O-N 3.42Å; I317-K319 PolarHBondContact O-N 3.35Å; K319-L323 WeakPolarHBondContact O-CB 3.17Å; K319-L323 PolarHBondContact O-N 2.98Å; K319-E359 HydrophobicContact CD-CB 4.29Å; K319-E359 IonicContact NZ-OE2 3.04Å; K319-E359 PolarHBondContact NZ-OE2 3.02Å; K319-A360 HydrophobicContact CB-CB 3.77Å |
| 320 | Y | 91.1 | Very high | 85.9 | Confident | 43 Ų | 43 | 32.8 Ų | 32.8 | 17% | 0.169 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -75.2 | -35.5 | -176.8 | -69.3 | -65.4 | 0 | 0 | 0 | 113.3 | E269 A272 Q273 L316 I317 A318 A324 | E269-Y320 VanDerWaalsContact OE1-CE2 3.23Å; E269-Y320 WeakPolarHBondContact OE1-CE2 3.45Å; E269-Y320 PolarHBondContact OE1-OH 3.47Å; A272-Y320 HydrophobicContact CB-CD2 3.99Å; A272-Y320 HydrophobicContact CB-CE2 4.49Å; Q273-Y320 HydrophobicContact CB-CD2 4.42Å; Q273-Y320 HydrophobicContact CB-CG 4.44Å; Q273-Y320 HydrophobicContact CG-CD1 3.81Å; Q273-Y320 HydrophobicContact CG-CD2 3.75Å; Q273-Y320 HydrophobicContact CG-CE1 3.5Å; Q273-Y320 VanDerWaalsContact CG-CE1 3.5Å; Q273-Y320 HydrophobicContact CG-CE2 3.44Å; Q273-Y320 VanDerWaalsContact CG-CE2 3.44Å; Q273-Y320 HydrophobicContact CG-CG 3.93Å; Q273-Y320 PolarHBondContact NE2-OH 3.48Å; L316-Y320 VanDerWaalsContact O-CD2 3.22Å; L316-Y320 WeakPolarHBondContact O-CD2 3.49Å; L316-Y320 PolarHBondContact O-N 3.33Å; I317-Y320 PolarHBondContact O-N 3.16Å; A318-Y320 PolarHBondContact O-N 2.89Å; Y320-A324 VanDerWaalsContact O-CB 3.3Å; Y320-A324 WeakPolarHBondContact O-CB 3.23Å; Y320-A324 PolarHBondContact O-N 3.28Å |
| 321 | M | 90.3 | Very high | 85 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.8 | -47.9 | 173.9 | -80.2 | -173 | 65 | 0 | 0 | 111.8 | T279 L290 Y291 V294 I317 A318 A324 V325 | T279-M321 HydrophobicContact CG2-CE 3.66Å; T279-M321 HydrophobicContact CG2-CG 4.47Å; T279-M321 WeakPolarHBondContact OG1-CG 3.22Å; L290-M321 HydrophobicContact CD2-CE 3.75Å; L290-M321 HydrophobicContact CD2-SD 3.89Å; L290-M321 HydrophobicContact CG-CE 3.91Å; L290-M321 HydrophobicContact CG-SD 3.98Å; Y291-M321 HydrophobicContact CD1-CE 3.71Å; Y291-M321 HydrophobicContact CE1-CE 3.49Å; Y291-M321 VanDerWaalsContact CE1-CE 3.49Å; Y291-M321 HydrophobicContact CE2-CE 4.46Å; Y291-M321 HydrophobicContact CG-CE 4.3Å; V294-M321 HydrophobicContact CG2-SD 3.97Å; I317-M321 HydrophobicContact CG2-CG 3.9Å; I317-M321 HydrophobicContact CG2-SD 3.56Å; I317-M321 VanDerWaalsContact CG2-SD 3.56Å; I317-M321 VanDerWaalsContact O-CB 3.31Å; I317-M321 WeakPolarHBondContact O-CB 3.37Å; I317-M321 WeakPolarHBondContact O-CG 3.33Å; I317-M321 PolarHBondContact O-N 3.45Å; A318-M321 PolarHBondContact O-N 3.07Å; M321-A324 PolarHBondContact O-N 2.9Å; M321-V325 VanDerWaalsContact O-CB 3.3Å; M321-V325 WeakPolarHBondContact O-CB 3.39Å; M321-V325 VanDerWaalsContact O-CG2 3.25Å; M321-V325 WeakPolarHBondContact O-CG2 3.35Å; M321-V325 PolarHBondContact O-N 3.18Å |
| 322 | L | 88.3 | Confident | 84.1 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.5 | -49.2 | 179.1 | -75.6 | 167.8 | 0 | 0 | 0 | 110.6 | A318 A324 V325 Y326 F338 V364 L368 | A318-L322 VanDerWaalsContact O-CB 3.27Å; A318-L322 WeakPolarHBondContact O-CB 3.42Å; A318-L322 WeakPolarHBondContact O-CD1 3.36Å; A318-L322 VanDerWaalsContact O-CG 3.22Å; A318-L322 WeakPolarHBondContact O-CG 3.43Å; A318-L322 PolarHBondContact O-N 3.02Å; L322-A324 VanDerWaalsContact C-N 3.35Å; L322-A324 PolarHBondContact O-N 2.73Å; L322-V325 PolarHBondContact O-N 3.11Å; L322-Y326 HydrophobicContact CD2-CD2 4.25Å; L322-Y326 HydrophobicContact CD2-CE2 3.79Å; L322-Y326 WeakPolarHBondContact O-CB 3.42Å; L322-Y326 VanDerWaalsContact O-CD2 3.28Å; L322-Y326 WeakPolarHBondContact O-CD2 3.12Å; L322-Y326 PolarHBondContact O-N 3.17Å; L322-F338 HydrophobicContact CD1-CE1 4.34Å; L322-F338 HydrophobicContact CD2-CE1 3.92Å; L322-F338 HydrophobicContact CG-CE1 4.04Å; L322-V364 HydrophobicContact CB-CG1 4.36Å; L322-V364 HydrophobicContact CB-CG2 3.97Å; L322-V364 HydrophobicContact CD1-CG2 4.17Å; L322-V364 HydrophobicContact CG-CG2 4.48Å; L322-L368 HydrophobicContact CD2-CD2 4.22Å |
| 323 | L | 85.2 | Confident | 83.4 | Confident | 97 Ų | 97 | 47.9 Ų | 47.9 | 51% | 0.508 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.7 | -44 | 179.5 | -167.3 | 72.9 | 0 | 0 | 0 | 112.1 | K319 S327 | K319-L323 WeakPolarHBondContact O-CB 3.17Å; K319-L323 PolarHBondContact O-N 2.98Å; L323-S327 VanDerWaalsContact O-CB 3.24Å; L323-S327 WeakPolarHBondContact O-CB 3.16Å; L323-S327 PolarHBondContact O-N 2.89Å; L323-S327 VanDerWaalsContact O-N 3.12Å; L323-S327 PolarHBondContact O-OG 3.33Å |
| 324 | A | 84.2 | Confident | 83.1 | Confident | 13 Ų | 13 | 49 Ų | 49 | 11% | 0.107 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.2 | -44.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G276 P280 Y320 M321 L322 S327 H328 | G276-A324 WeakPolarHBondContact O-CB 3.37Å; P280-A324 HydrophobicContact CG-CB 3.89Å; Y320-A324 VanDerWaalsContact O-CB 3.3Å; Y320-A324 WeakPolarHBondContact O-CB 3.23Å; Y320-A324 PolarHBondContact O-N 3.28Å; M321-A324 PolarHBondContact O-N 2.9Å; L322-A324 VanDerWaalsContact C-N 3.35Å; L322-A324 PolarHBondContact O-N 2.73Å; A324-S327 WeakPolarHBondContact CA-OG 3.48Å; A324-S327 PolarHBondContact O-N 3.13Å; A324-S327 PolarHBondContact O-OG 2.75Å; A324-S327 VanDerWaalsContact O-OG 3.05Å; A324-H328 WeakPolarHBondContact O-CB 3.28Å; A324-H328 PolarHBondContact O-CD2 3.49Å; A324-H328 VanDerWaalsContact O-CD2 3.3Å; A324-H328 PolarHBondContact O-N 3.17Å; A324-H328 VanDerWaalsContact O-N 3.13Å |
| 325 | V | 84.8 | Confident | 82.9 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.7 | -46.2 | -179.3 | 164.7 | 0 | 0 | 0 | 0 | 111.1 | T279 M321 L322 S327 L329 P332 V334 | T279-V325 HydrophobicContact CG2-CG2 3.52Å; M321-V325 VanDerWaalsContact O-CB 3.3Å; M321-V325 WeakPolarHBondContact O-CB 3.39Å; M321-V325 VanDerWaalsContact O-CG2 3.25Å; M321-V325 WeakPolarHBondContact O-CG2 3.35Å; M321-V325 PolarHBondContact O-N 3.18Å; L322-V325 PolarHBondContact O-N 3.11Å; V325-S327 VanDerWaalsContact C-N 3.32Å; V325-S327 PolarHBondContact O-N 3.47Å; V325-L329 HydrophobicContact CG1-CD1 4.22Å; V325-L329 WeakPolarHBondContact O-CB 3.46Å; V325-L329 PolarHBondContact O-N 2.95Å; V325-L329 VanDerWaalsContact O-N 3.08Å; V325-P332 HydrophobicContact CG1-CB 3.33Å; V325-P332 HydrophobicContact CG1-CG 4.47Å; V325-V334 HydrophobicContact CG1-CG2 4.07Å |
| 326 | Y | 83.2 | Confident | 82.5 | Confident | 21 Ų | 21 | 53.5 Ų | 53.5 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -75.7 | -15.7 | -179.5 | -80.8 | -69.9 | 0 | 0 | 0 | 114.5 | L322 P332 V334 V364 K367 L368 | L322-Y326 HydrophobicContact CD2-CD2 4.25Å; L322-Y326 HydrophobicContact CD2-CE2 3.79Å; L322-Y326 WeakPolarHBondContact O-CB 3.42Å; L322-Y326 VanDerWaalsContact O-CD2 3.28Å; L322-Y326 WeakPolarHBondContact O-CD2 3.12Å; L322-Y326 PolarHBondContact O-N 3.17Å; Y326-P332 HydrophobicContact CD1-CB 4.49Å; Y326-P332 HydrophobicContact CD1-CG 3.53Å; Y326-P332 HydrophobicContact CE1-CB 4.42Å; Y326-P332 HydrophobicContact CE1-CG 3.4Å; Y326-P332 HydrophobicContact CG-CG 4.41Å; Y326-V334 HydrophobicContact CE2-CG2 4.2Å; Y326-V364 HydrophobicContact CD2-CB 4.02Å; Y326-V364 HydrophobicContact CD2-CG1 3.8Å; Y326-V364 HydrophobicContact CE2-CB 4.43Å; Y326-V364 HydrophobicContact CG-CG1 4.22Å; Y326-K367 HydrophobicContact CD1-CB 3.58Å; Y326-K367 HydrophobicContact CD1-CD 3.63Å; Y326-K367 HydrophobicContact CD1-CG 4.22Å; Y326-K367 HydrophobicContact CE1-CB 3.61Å; Y326-K367 HydrophobicContact CE1-CD 4.5Å; Y326-K367 HydrophobicContact CG-CB 4.25Å; Y326-K367 HydrophobicContact CG-CD 3.96Å; Y326-K367 PolarHBondContact O-NZ 3.25Å; Y326-L368 HydrophobicContact CE2-CD2 3.9Å; Y326-L368 HydrophobicContact CE2-CG 4.15Å; Y326-L368 WeakPolarHBondContact OH-CD2 3.29Å |
| 327 | S | 80.4 | Confident | 82.4 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 53% | 0.531 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -89.6 | -29.6 | 174.7 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | L323 A324 V325 | L323-S327 VanDerWaalsContact O-CB 3.24Å; L323-S327 WeakPolarHBondContact O-CB 3.16Å; L323-S327 PolarHBondContact O-N 2.89Å; L323-S327 VanDerWaalsContact O-N 3.12Å; L323-S327 PolarHBondContact O-OG 3.33Å; A324-S327 WeakPolarHBondContact CA-OG 3.48Å; A324-S327 PolarHBondContact O-N 3.13Å; A324-S327 PolarHBondContact O-OG 2.75Å; A324-S327 VanDerWaalsContact O-OG 3.05Å; V325-S327 VanDerWaalsContact C-N 3.32Å; V325-S327 PolarHBondContact O-N 3.47Å |
| 328 | H | 74.1 | Confident | 82.3 | Confident | 126 Ų | 126 | 59.2 Ų | 59.2 | 58% | 0.583 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -102.8 | -24 | -174.5 | -75.3 | -67.1 | 0 | 0 | 0 | 115.5 | P280 A324 | P280-H328 HydrophobicContact CB-CB 4.06Å; P280-H328 HydrophobicContact CG-CB 4.25Å; A324-H328 WeakPolarHBondContact O-CB 3.28Å; A324-H328 PolarHBondContact O-CD2 3.49Å; A324-H328 VanDerWaalsContact O-CD2 3.3Å; A324-H328 PolarHBondContact O-N 3.17Å; A324-H328 VanDerWaalsContact O-N 3.13Å |
| 329 | L | 69.9 | Low | 82.2 | Confident | 62 Ų | 62 | 59.5 Ų | 59.5 | 33% | 0.325 | 31% | 0.308 | S | S | . | . | trans | -112.1 | 123.5 | -174.5 | -63.5 | 168 | 0 | 0 | 0 | 110.7 | V325 R331 P332 | V325-L329 HydrophobicContact CG1-CD1 4.22Å; V325-L329 WeakPolarHBondContact O-CB 3.46Å; V325-L329 PolarHBondContact O-N 2.95Å; V325-L329 VanDerWaalsContact O-N 3.08Å; L329-R331 VanDerWaalsContact C-N 3.26Å; L329-R331 PolarHBondContact O-N 3.23Å; L329-P332 HydrophobicContact CB-CB 4.44Å | ||
| 330 | D | 67.3 | Low | 82.1 | Confident | 171 Ų | 171 | 60.8 Ų | 60.8 | 91% | 0.914 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -63.7 | -29.4 | 178.1 | -72.3 | -30.7 | 0 | 0 | 0 | 113 | ||
| 331 | R | 66.8 | Low | 82 | Confident | 236 Ų | 236 | 58.9 Ų | 58.9 | 89% | 0.891 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -135.9 | 84.5 | 176.2 | -70.6 | -172.5 | -177 | 178.7 | 0.7 | 110.5 | L329 | L329-R331 VanDerWaalsContact C-N 3.26Å; L329-R331 PolarHBondContact O-N 3.23Å |
| 332 | P | 70.2 | Confident | 82.1 | Confident | 37 Ų | 37 | 59 Ų | 59 | 24% | 0.24 | 31% | 0.305 | C | S | . | . | trans | -74.3 | 129.3 | -178.8 | 28.8 | -31.4 | 0 | 0 | 0 | 111.1 | V325 Y326 L329 V334 | V325-P332 HydrophobicContact CG1-CB 3.33Å; V325-P332 HydrophobicContact CG1-CG 4.47Å; Y326-P332 HydrophobicContact CD1-CB 4.49Å; Y326-P332 HydrophobicContact CD1-CG 3.53Å; Y326-P332 HydrophobicContact CE1-CB 4.42Å; Y326-P332 HydrophobicContact CE1-CG 3.4Å; Y326-P332 HydrophobicContact CG-CG 4.41Å; L329-P332 HydrophobicContact CB-CB 4.44Å; P332-V334 HydrophobicContact CB-CG2 4.2Å; P332-V334 PolarHBondContact O-N 3.46Å | ||
| 333 | S | 74.6 | Confident | 82.1 | Confident | 61 Ų | 61 | 58.9 Ų | 58.9 | 43% | 0.427 | 31% | 0.305 | S | S | . | . | trans | -92.8 | 74.2 | 173.2 | 64.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 334 | V | 84.2 | Confident | 82.3 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 15% | 0.145 | 30% | 0.298 | C | S | . | . | trans | -83.6 | 126.2 | 177.4 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | Y291 V325 Y326 P332 T336 F338 V339 | Y291-V334 HydrophobicContact CE1-CG1 4.11Å; V325-V334 HydrophobicContact CG1-CG2 4.07Å; Y326-V334 HydrophobicContact CE2-CG2 4.2Å; P332-V334 HydrophobicContact CB-CG2 4.2Å; P332-V334 PolarHBondContact O-N 3.46Å; V334-T336 PolarHBondContact O-N 3.01Å; V334-F338 HydrophobicContact CG1-CD1 3.72Å; V334-F338 HydrophobicContact CG1-CE1 4.29Å; V334-V339 HydrophobicContact CG1-CG2 3.81Å | ||
| 335 | P | 86.3 | Confident | 82.5 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | trans | -63 | 133.2 | 178.3 | -23.2 | 33.9 | 0 | 0 | 0 | 112.6 | Y291 N337 F338 V339 | Y291-P335 HydrophobicContact CD2-CG 3.66Å; Y291-P335 HydrophobicContact CE2-CG 4.31Å; Y291-P335 HydrophobicContact CG-CG 3.92Å; P335-N337 VanDerWaalsContact C-N 3.28Å; P335-N337 PolarHBondContact O-N 3.39Å; P335-F338 HydrophobicContact CB-CB 4.41Å; P335-F338 WeakPolarHBondContact O-CB 3.49Å; P335-F338 PolarHBondContact O-N 3.27Å; P335-V339 PolarHBondContact O-N 2.81Å | ||
| 336 | T | 85.5 | Confident | 82.6 | Confident | 65 Ų | 65 | 57.3 Ų | 57.3 | 40% | 0.399 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.2 | -40.5 | -179.8 | -43.8 | 0 | 0 | 0 | 0 | 112.2 | V334 F338 V339 W340 L372 | V334-T336 PolarHBondContact O-N 3.01Å; T336-F338 PolarHBondContact O-N 3.27Å; T336-V339 PolarHBondContact O-N 3.47Å; T336-W340 PolarHBondContact O-N 3.41Å; T336-W340 VanDerWaalsContact O-N 3.09Å; T336-L372 HydrophobicContact CG2-CD1 4Å; T336-L372 HydrophobicContact CG2-CD2 3.66Å |
| 337 | N | 88.9 | Confident | 82.7 | Confident | 124 Ų | 124 | 60.1 Ų | 60.1 | 66% | 0.663 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.5 | -32.4 | 177.8 | -70.9 | -8.1 | 0 | 0 | 0 | 113.5 | P335 A341 | P335-N337 VanDerWaalsContact C-N 3.28Å; P335-N337 PolarHBondContact O-N 3.39Å; N337-A341 WeakPolarHBondContact O-CB 3.45Å; N337-A341 PolarHBondContact O-N 3.1Å; N337-A341 VanDerWaalsContact O-N 3.13Å |
| 338 | F | 90.6 | Very high | 82.9 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.7 | -44.7 | 178.2 | 168 | -97.3 | 0 | 0 | 0 | 111 | Y291 V294 V295 A318 L322 V334 P335 T336 W340 A341 V342 | Y291-F338 HydrophobicContact CD1-CB 4.13Å; Y291-F338 AromaticContact CD1-CD1 3.73Å; Y291-F338 HydrophobicContact CD1-CD1 3.73Å; Y291-F338 AromaticContact CD1-CD2 3.65Å; Y291-F338 HydrophobicContact CD1-CD2 3.65Å; Y291-F338 AromaticContact CD1-CE1 3.97Å; Y291-F338 HydrophobicContact CD1-CE1 3.97Å; Y291-F338 AromaticContact CD1-CE2 3.89Å; Y291-F338 HydrophobicContact CD1-CE2 3.89Å; Y291-F338 AromaticContact CD1-CG 3.55Å; Y291-F338 HydrophobicContact CD1-CG 3.55Å; Y291-F338 HydrophobicContact CD1-CZ 4.04Å; Y291-F338 AromaticContact CE1-CD1 3.78Å; Y291-F338 HydrophobicContact CE1-CD1 3.78Å; Y291-F338 HydrophobicContact CE1-CD2 4.42Å; Y291-F338 AromaticContact CE1-CE1 3.76Å; Y291-F338 HydrophobicContact CE1-CE1 3.76Å; Y291-F338 HydrophobicContact CE1-CE2 4.39Å; Y291-F338 HydrophobicContact CE1-CG 4.11Å; Y291-F338 HydrophobicContact CE1-CZ 4.07Å; Y291-F338 HydrophobicContact CG-CG 4.42Å; V294-F338 HydrophobicContact CB-CD2 4.44Å; V294-F338 HydrophobicContact CB-CE2 3.97Å; V294-F338 HydrophobicContact CG1-CD2 4.43Å; V294-F338 HydrophobicContact CG1-CE2 3.66Å; V295-F338 HydrophobicContact CG2-CB 4.06Å; V295-F338 HydrophobicContact CG2-CD2 4.09Å; A318-F338 HydrophobicContact CB-CE2 4.11Å; A318-F338 HydrophobicContact CB-CZ 3.64Å; L322-F338 HydrophobicContact CD1-CE1 4.34Å; L322-F338 HydrophobicContact CD2-CE1 3.92Å; L322-F338 HydrophobicContact CG-CE1 4.04Å; V334-F338 HydrophobicContact CG1-CD1 3.72Å; V334-F338 HydrophobicContact CG1-CE1 4.29Å; P335-F338 HydrophobicContact CB-CB 4.41Å; P335-F338 WeakPolarHBondContact O-CB 3.49Å; P335-F338 PolarHBondContact O-N 3.27Å; T336-F338 PolarHBondContact O-N 3.27Å; F338-W340 PolarHBondContact O-N 3.38Å; F338-A341 PolarHBondContact O-N 2.93Å; F338-V342 HydrophobicContact CE1-CG2 4.33Å; F338-V342 HydrophobicContact CE2-CG2 4.27Å; F338-V342 HydrophobicContact CZ-CG2 4.09Å; F338-V342 WeakPolarHBondContact O-CG2 3.23Å; F338-V342 PolarHBondContact O-N 3.39Å; F338-V342 VanDerWaalsContact O-N 3.12Å |
| 339 | V | 88.6 | Confident | 83.1 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 177.8 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | V334 P335 T336 A341 V342 V343 L368 L372 L375 | V334-V339 HydrophobicContact CG1-CG2 3.81Å; P335-V339 PolarHBondContact O-N 2.81Å; T336-V339 PolarHBondContact O-N 3.47Å; V339-A341 VanDerWaalsContact C-N 3.34Å; V339-A341 PolarHBondContact O-N 2.82Å; V339-V342 PolarHBondContact O-N 3.09Å; V339-V343 HydrophobicContact CG1-CG2 4.46Å; V339-V343 WeakPolarHBondContact O-CG2 3.35Å; V339-V343 PolarHBondContact O-N 3.42Å; V339-L368 HydrophobicContact CG1-CD2 4.01Å; V339-L368 HydrophobicContact CG2-CD2 3.87Å; V339-L372 HydrophobicContact CB-CD1 3.97Å; V339-L372 HydrophobicContact CG1-CD1 4.03Å; V339-L372 HydrophobicContact CG2-CD1 3.98Å; V339-L375 HydrophobicContact CG1-CD2 3.65Å |
| 340 | W | 89.3 | Confident | 83.6 | Confident | 78 Ų | 78 | 60.7 Ų | 60.7 | 30% | 0.295 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 176.1 | -77 | 110.6 | 0 | 0 | 0 | 112.7 | T336 F338 V342 V343 D344 L375 D378 | T336-W340 PolarHBondContact O-N 3.41Å; T336-W340 VanDerWaalsContact O-N 3.09Å; F338-W340 PolarHBondContact O-N 3.38Å; W340-V342 VanDerWaalsContact C-N 3.3Å; W340-V342 PolarHBondContact O-N 3.24Å; W340-V343 PolarHBondContact O-N 3.18Å; W340-D344 WeakPolarHBondContact O-CB 3.3Å; W340-D344 PolarHBondContact O-N 2.87Å; W340-L375 HydrophobicContact CE3-CD1 4.33Å; W340-L375 HydrophobicContact CH2-CD1 4.05Å; W340-L375 HydrophobicContact CZ2-CD1 4.43Å; W340-L375 HydrophobicContact CZ3-CD1 3.99Å; W340-D378 HydrophobicContact CH2-CB 4.12Å; W340-D378 HydrophobicContact CZ3-CB 4.22Å; W340-D378 WeakPolarHBondContact CZ3-OD2 3.47Å |
| 341 | A | 90.2 | Very high | 84.2 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -34.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V295 L298 N337 F338 V339 C345 | V295-A341 HydrophobicContact CG1-CB 4.42Å; V295-A341 HydrophobicContact CG2-CB 4.3Å; L298-A341 HydrophobicContact CB-CB 4.4Å; L298-A341 HydrophobicContact CD1-CB 3.91Å; N337-A341 WeakPolarHBondContact O-CB 3.45Å; N337-A341 PolarHBondContact O-N 3.1Å; N337-A341 VanDerWaalsContact O-N 3.13Å; F338-A341 PolarHBondContact O-N 2.93Å; V339-A341 VanDerWaalsContact C-N 3.34Å; V339-A341 PolarHBondContact O-N 2.82Å; A341-C345 PolarHBondContact O-SG 3.31Å; A341-C345 VanDerWaalsContact O-SG 3.36Å |
| 342 | V | 90.5 | Very high | 85 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.9 | -42.6 | 175.2 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | L298 L315 A318 F338 V339 W340 D344 C345 A360 V361 | L298-V342 HydrophobicContact CD1-CG2 3.66Å; L315-V342 HydrophobicContact CD2-CG1 4.05Å; A318-V342 HydrophobicContact CB-CG2 3.8Å; F338-V342 HydrophobicContact CE1-CG2 4.33Å; F338-V342 HydrophobicContact CE2-CG2 4.27Å; F338-V342 HydrophobicContact CZ-CG2 4.09Å; F338-V342 WeakPolarHBondContact O-CG2 3.23Å; F338-V342 PolarHBondContact O-N 3.39Å; F338-V342 VanDerWaalsContact O-N 3.12Å; V339-V342 PolarHBondContact O-N 3.09Å; W340-V342 VanDerWaalsContact C-N 3.3Å; W340-V342 PolarHBondContact O-N 3.24Å; V342-D344 VanDerWaalsContact C-N 3.35Å; V342-C345 WeakPolarHBondContact O-CB 3.39Å; V342-C345 PolarHBondContact O-N 3.39Å; V342-A360 HydrophobicContact CG1-CB 4.35Å; V342-V361 HydrophobicContact CG1-CG2 3.88Å |
| 343 | V | 88.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.7 | -36.3 | 179.9 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | V339 W340 C345 L346 L375 L379 | V339-V343 HydrophobicContact CG1-CG2 4.46Å; V339-V343 WeakPolarHBondContact O-CG2 3.35Å; V339-V343 PolarHBondContact O-N 3.42Å; W340-V343 PolarHBondContact O-N 3.18Å; V343-C345 PolarHBondContact O-N 3.34Å; V343-L346 HydrophobicContact CG1-CD1 4.39Å; V343-L346 VanDerWaalsContact O-CB 3.29Å; V343-L346 WeakPolarHBondContact O-CB 3.37Å; V343-L346 PolarHBondContact O-N 3.2Å; V343-L375 HydrophobicContact CB-CD1 4.33Å; V343-L375 HydrophobicContact CG1-CD1 4.03Å; V343-L375 HydrophobicContact CG2-CD1 3.84Å; V343-L375 HydrophobicContact CG2-CD2 4.24Å; V343-L379 HydrophobicContact CG1-CD1 4.29Å |
| 344 | D | 89.6 | Confident | 86.3 | Confident | 70 Ų | 70 | 41 Ų | 41 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.3 | -28.7 | 175.1 | -73.5 | -25.4 | 0 | 0 | 0 | 112.8 | W340 V342 L346 E347 R382 | W340-D344 WeakPolarHBondContact O-CB 3.3Å; W340-D344 PolarHBondContact O-N 2.87Å; V342-D344 VanDerWaalsContact C-N 3.35Å; D344-L346 PolarHBondContact O-N 3.1Å; D344-E347 PolarHBondContact O-N 3.35Å; D344-R382 IonicContact OD1-CZ 3.18Å; D344-R382 IonicContact OD1-NH1 3.72Å; D344-R382 PolarHBondContact OD1-NH1 3.12Å; D344-R382 IonicContact OD1-NH2 3.94Å; D344-R382 PolarHBondContact OD1-NH2 3.31Å |
| 345 | C | 89 | Confident | 86.3 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 5% | 0.054 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -68.6 | -15.7 | 175.5 | -65.1 | 0 | 0 | 0 | 0 | 113.9 | L315 A341 V342 V343 E347 N348 I353 A357 | L315-C345 HydrophobicContact CD1-CB 3.97Å; L315-C345 HydrophobicContact CD2-CB 4Å; L315-C345 HydrophobicContact CG-CB 4.46Å; A341-C345 PolarHBondContact O-SG 3.31Å; A341-C345 VanDerWaalsContact O-SG 3.36Å; V342-C345 WeakPolarHBondContact O-CB 3.39Å; V342-C345 PolarHBondContact O-N 3.39Å; V343-C345 PolarHBondContact O-N 3.34Å; C345-E347 PolarHBondContact O-N 2.97Å; C345-N348 VanDerWaalsContact O-CB 3.28Å; C345-N348 WeakPolarHBondContact O-CB 3.24Å; C345-N348 PolarHBondContact O-N 3.19Å; C345-I353 HydrophobicContact CB-CG2 3.88Å; C345-A357 HydrophobicContact CB-CB 3.84Å |
| 346 | L | 86.7 | Confident | 86.3 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -68.5 | -19.5 | 175.1 | -66.4 | 171.2 | 0 | 0 | 0 | 112.9 | V343 D344 A357 L379 L402 | V343-L346 HydrophobicContact CG1-CD1 4.39Å; V343-L346 VanDerWaalsContact O-CB 3.29Å; V343-L346 WeakPolarHBondContact O-CB 3.37Å; V343-L346 PolarHBondContact O-N 3.2Å; D344-L346 PolarHBondContact O-N 3.1Å; L346-A357 HydrophobicContact CD2-CB 3.81Å; L346-A357 HydrophobicContact CG-CB 4.23Å; L346-L379 HydrophobicContact CD1-CD1 3.53Å; L346-L402 HydrophobicContact CD2-CD2 4.37Å |
| 347 | E | 84.7 | Confident | 86.6 | Confident | 80 Ų | 80 | 36.6 Ų | 36.6 | 37% | 0.374 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -98.1 | 9.9 | 175.1 | -70.6 | -171.7 | 120.7 | 0 | 0 | 113.2 | D344 C345 R382 K385 | D344-E347 PolarHBondContact O-N 3.35Å; C345-E347 PolarHBondContact O-N 2.97Å; E347-R382 HydrophobicContact CG-CG 4.13Å; E347-R382 IonicContact OE2-CZ 2.72Å; E347-R382 IonicContact OE2-NE 3.97Å; E347-R382 IonicContact OE2-NH1 2.77Å; E347-R382 PolarHBondContact OE2-NH1 2.89Å; E347-K385 IonicContact OE1-NZ 2.86Å; E347-K385 PolarHBondContact OE1-NZ 2.88Å |
| 348 | N | 84.4 | Confident | 86.5 | Confident | 45 Ų | 45 | 30.7 Ų | 30.7 | 24% | 0.241 | 15% | 0.15 | C | C | . | . | trans | -63.6 | 149.9 | 179.5 | -159.1 | -74 | 0 | 0 | 0 | 111.8 | C345 N350 I353 V354 R386 | C345-N348 VanDerWaalsContact O-CB 3.28Å; C345-N348 WeakPolarHBondContact O-CB 3.24Å; C345-N348 PolarHBondContact O-N 3.19Å; N348-N350 VanDerWaalsContact C-N 3.34Å; N348-N350 WeakPolarHBondContact OD1-CB 3.31Å; N348-N350 PolarHBondContact OD1-N 3.5Å; N348-I353 HydrophobicContact CB-CB 4.12Å; N348-I353 HydrophobicContact CB-CG2 3.72Å; N348-V354 HydrophobicContact CB-CG2 4.34Å; N348-R386 PolarHBondContact O-NH1 2.68Å; N348-R386 PolarHBondContact O-NH2 3.25Å | ||
| 349 | E | 79.4 | Confident | 86.3 | Confident | 187 Ų | 187 | 34.6 Ų | 34.6 | 87% | 0.874 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -70.2 | -33.2 | 176.5 | -64.4 | -176.5 | 175.3 | 0 | 0 | 111.7 | ||
| 350 | N | 81.1 | Confident | 86.3 | Confident | 43 Ų | 43 | 34.4 Ų | 34.4 | 23% | 0.23 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -81.1 | 124 | 178.7 | -175.4 | -50.4 | 0 | 0 | 0 | 111.2 | W308 N348 D352 I353 V354 | W308-N350 WeakPolarHBondContact CB-ND2 3.26Å; N348-N350 VanDerWaalsContact C-N 3.34Å; N348-N350 WeakPolarHBondContact OD1-CB 3.31Å; N348-N350 PolarHBondContact OD1-N 3.5Å; N350-D352 PolarHBondContact O-N 2.92Å; N350-D352 WeakPolarHBondContact OD1-CB 3.44Å; N350-D352 PolarHBondContact OD1-N 3.1Å; N350-I353 HydrophobicContact CB-CD1 4Å; N350-I353 HydrophobicContact CB-CG1 4.17Å; N350-I353 PolarHBondContact O-N 3.45Å; N350-V354 PolarHBondContact O-N 3.37Å |
| 351 | E | 79.8 | Confident | 86.2 | Confident | 59 Ų | 59 | 30.8 Ų | 30.8 | 28% | 0.276 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.2 | -35.8 | -175.7 | -160.2 | -176 | 174.3 | 0 | 0 | 113.6 | I353 V354 I355 D396 A397 S398 | E351-I353 PolarHBondContact O-N 3.33Å; E351-V354 WeakPolarHBondContact O-CA 3.45Å; E351-V354 WeakPolarHBondContact O-CB 3.47Å; E351-V354 PolarHBondContact O-N 3.25Å; E351-I355 HydrophobicContact CG-CD1 4.2Å; E351-I355 HydrophobicContact CG-CG1 4.48Å; E351-I355 WeakPolarHBondContact O-CG1 3.48Å; E351-I355 PolarHBondContact O-N 2.92Å; E351-D396 WeakPolarHBondContact OE1-CA 3.47Å; E351-D396 WeakPolarHBondContact OE1-CB 3.22Å; E351-A397 PolarHBondContact OE1-N 3.2Å; E351-S398 PolarHBondContact OE1-N 3.19Å; E351-S398 VanDerWaalsContact OE1-N 3.13Å; E351-S398 PolarHBondContact OE1-OG 3.36Å |
| 352 | D | 82.4 | Confident | 86 | Confident | 30 Ų | 30 | 31.8 Ų | 31.8 | 16% | 0.16 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.3 | -33.5 | 179.3 | -65.6 | -61.1 | 0 | 0 | 0 | 112 | V263 F312 N350 A356 | V263-D352 HydrophobicContact CB-CB 4.47Å; V263-D352 HydrophobicContact CG2-CB 4.22Å; V263-D352 VanDerWaalsContact CG2-OD1 3.27Å; V263-D352 WeakPolarHBondContact CG2-OD1 3.25Å; V263-D352 VanDerWaalsContact CG2-OD2 3.24Å; V263-D352 WeakPolarHBondContact CG2-OD2 3.45Å; F312-D352 HydrophobicContact CD2-CB 4.43Å; N350-D352 PolarHBondContact O-N 2.92Å; N350-D352 WeakPolarHBondContact OD1-CB 3.44Å; N350-D352 PolarHBondContact OD1-N 3.1Å; D352-A356 WeakPolarHBondContact O-CB 3.45Å; D352-A356 PolarHBondContact O-N 3.25Å |
| 353 | I | 86.7 | Confident | 85.4 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.9 | -43.5 | 173.5 | -64.2 | -179.7 | 0 | 0 | 0 | 109.8 | W308 P311 L315 C345 N348 N350 E351 A356 A357 | W308-I353 HydrophobicContact CB-CD1 4.03Å; P311-I353 HydrophobicContact CB-CD1 3.87Å; P311-I353 HydrophobicContact CB-CG1 4.49Å; P311-I353 HydrophobicContact CG-CD1 4.31Å; L315-I353 HydrophobicContact CD1-CB 4.37Å; L315-I353 HydrophobicContact CD1-CG2 3.58Å; L315-I353 WeakPolarHBondContact CD1-O 3.13Å; C345-I353 HydrophobicContact CB-CG2 3.88Å; N348-I353 HydrophobicContact CB-CB 4.12Å; N348-I353 HydrophobicContact CB-CG2 3.72Å; N350-I353 HydrophobicContact CB-CD1 4Å; N350-I353 HydrophobicContact CB-CG1 4.17Å; N350-I353 PolarHBondContact O-N 3.45Å; E351-I353 PolarHBondContact O-N 3.33Å; I353-A356 PolarHBondContact O-N 2.64Å; I353-A357 VanDerWaalsContact O-CB 3.29Å; I353-A357 WeakPolarHBondContact O-CB 3.48Å; I353-A357 PolarHBondContact O-N 3.27Å |
| 354 | V | 85.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64 | -42.1 | 177.9 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | N348 N350 E351 A357 S358 | N348-V354 HydrophobicContact CB-CG2 4.34Å; N350-V354 PolarHBondContact O-N 3.37Å; E351-V354 WeakPolarHBondContact O-CA 3.45Å; E351-V354 WeakPolarHBondContact O-CB 3.47Å; E351-V354 PolarHBondContact O-N 3.25Å; V354-A357 PolarHBondContact O-N 2.63Å; V354-S358 VanDerWaalsContact O-CB 3.28Å; V354-S358 WeakPolarHBondContact O-CB 3.39Å; V354-S358 PolarHBondContact O-N 3.03Å; V354-S358 PolarHBondContact O-OG 3.42Å |
| 355 | I | 84.1 | Confident | 85.1 | Confident | 20 Ų | 20 | 31.3 Ų | 31.3 | 10% | 0.103 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.8 | -53 | 175.8 | -65.6 | 161.2 | 0 | 0 | 0 | 109.7 | E351 A357 S358 E359 A397 | E351-I355 HydrophobicContact CG-CD1 4.2Å; E351-I355 HydrophobicContact CG-CG1 4.48Å; E351-I355 WeakPolarHBondContact O-CG1 3.48Å; E351-I355 PolarHBondContact O-N 2.92Å; I355-A357 VanDerWaalsContact C-N 3.31Å; I355-A357 PolarHBondContact O-N 3.16Å; I355-S358 PolarHBondContact O-N 3.21Å; I355-S358 VanDerWaalsContact O-N 3.16Å; I355-S358 PolarHBondContact O-OG 3.37Å; I355-E359 WeakPolarHBondContact O-CG 3.32Å; I355-E359 PolarHBondContact O-N 2.76Å; I355-A397 HydrophobicContact CD1-CB 3.5Å; I355-A397 VanDerWaalsContact CD1-CB 3.5Å; I355-A397 HydrophobicContact CG1-CB 4.21Å |
| 356 | A | 87 | Confident | 84.8 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.033 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.1 | -38.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F312 L315 D352 I353 A360 | F312-A356 HydrophobicContact CD2-CB 3.92Å; F312-A356 HydrophobicContact CE2-CB 3.97Å; L315-A356 HydrophobicContact CB-CB 3.87Å; L315-A356 HydrophobicContact CD1-CB 3.94Å; D352-A356 WeakPolarHBondContact O-CB 3.45Å; D352-A356 PolarHBondContact O-N 3.25Å; I353-A356 PolarHBondContact O-N 2.64Å; A356-A360 WeakPolarHBondContact O-CB 3.11Å; A356-A360 PolarHBondContact O-N 3.44Å |
| 357 | A | 90.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67 | -42.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L315 C345 L346 I353 V354 I355 E359 A360 V361 | L315-A357 HydrophobicContact CD1-CB 3.88Å; L315-A357 HydrophobicContact CD2-CB 3.83Å; L315-A357 HydrophobicContact CG-CB 4.48Å; C345-A357 HydrophobicContact CB-CB 3.84Å; L346-A357 HydrophobicContact CD2-CB 3.81Å; L346-A357 HydrophobicContact CG-CB 4.23Å; I353-A357 VanDerWaalsContact O-CB 3.29Å; I353-A357 WeakPolarHBondContact O-CB 3.48Å; I353-A357 PolarHBondContact O-N 3.27Å; V354-A357 PolarHBondContact O-N 2.63Å; I355-A357 VanDerWaalsContact C-N 3.31Å; I355-A357 PolarHBondContact O-N 3.16Å; A357-E359 VanDerWaalsContact C-N 3.34Å; A357-E359 PolarHBondContact O-N 2.75Å; A357-A360 PolarHBondContact O-N 3.43Å; A357-V361 WeakPolarHBondContact O-CG2 3.25Å; A357-V361 PolarHBondContact O-N 2.75Å |
| 358 | S | 88.1 | Confident | 84.5 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -41.7 | 178.1 | 73.3 | 0 | 0 | 0 | 0 | 111.6 | V354 I355 V361 S362 G401 | V354-S358 VanDerWaalsContact O-CB 3.28Å; V354-S358 WeakPolarHBondContact O-CB 3.39Å; V354-S358 PolarHBondContact O-N 3.03Å; V354-S358 PolarHBondContact O-OG 3.42Å; I355-S358 PolarHBondContact O-N 3.21Å; I355-S358 VanDerWaalsContact O-N 3.16Å; I355-S358 PolarHBondContact O-OG 3.37Å; S358-V361 PolarHBondContact O-N 3.06Å; S358-S362 WeakPolarHBondContact O-CB 3.41Å; S358-S362 PolarHBondContact O-N 3.2Å; S358-S362 PolarHBondContact O-OG 3.19Å; S358-G401 WeakPolarHBondContact OG-CA 3.35Å |
| 359 | E | 86.5 | Confident | 84.4 | Confident | 82 Ų | 82 | 34.9 Ų | 34.9 | 38% | 0.383 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 174.7 | -71.8 | -170.8 | 169.7 | 0 | 0 | 112.2 | K319 I355 A357 V361 S362 | K319-E359 HydrophobicContact CD-CB 4.29Å; K319-E359 IonicContact NZ-OE2 3.04Å; K319-E359 PolarHBondContact NZ-OE2 3.02Å; I355-E359 WeakPolarHBondContact O-CG 3.32Å; I355-E359 PolarHBondContact O-N 2.76Å; A357-E359 VanDerWaalsContact C-N 3.34Å; A357-E359 PolarHBondContact O-N 2.75Å; E359-V361 VanDerWaalsContact C-N 3.31Å; E359-V361 PolarHBondContact O-N 3.02Å; E359-S362 WeakPolarHBondContact CA-OG 3.37Å; E359-S362 PolarHBondContact O-N 2.72Å; E359-S362 PolarHBondContact O-OG 3.28Å |
| 360 | A | 88 | Confident | 84.5 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 3% | 0.025 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -40.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K319 V342 A356 A357 | K319-A360 HydrophobicContact CB-CB 3.77Å; V342-A360 HydrophobicContact CG1-CB 4.35Å; A356-A360 WeakPolarHBondContact O-CB 3.11Å; A356-A360 PolarHBondContact O-N 3.44Å; A357-A360 PolarHBondContact O-N 3.43Å |
| 361 | V | 88.2 | Confident | 84.5 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -77.5 | -43.2 | -179.8 | 173.1 | 0 | 0 | 0 | 0 | 111 | V342 A357 S358 E359 G363 V364 V365 L379 I405 | V342-V361 HydrophobicContact CG1-CG2 3.88Å; A357-V361 WeakPolarHBondContact O-CG2 3.25Å; A357-V361 PolarHBondContact O-N 2.75Å; S358-V361 PolarHBondContact O-N 3.06Å; E359-V361 VanDerWaalsContact C-N 3.31Å; E359-V361 PolarHBondContact O-N 3.02Å; V361-G363 VanDerWaalsContact C-N 3.27Å; V361-G363 PolarHBondContact O-N 3.25Å; V361-G363 VanDerWaalsContact O-N 3.09Å; V361-V364 PolarHBondContact O-N 2.87Å; V361-V365 HydrophobicContact CG1-CG2 3.83Å; V361-V365 WeakPolarHBondContact O-CG2 3.31Å; V361-V365 PolarHBondContact O-N 3.04Å; V361-V365 VanDerWaalsContact O-N 3.13Å; V361-L379 HydrophobicContact CG1-CD1 4.41Å; V361-L379 HydrophobicContact CG1-CD2 4.19Å; V361-I405 HydrophobicContact CB-CD1 4.04Å; V361-I405 HydrophobicContact CB-CG1 4.49Å; V361-I405 HydrophobicContact CG1-CD1 3.93Å; V361-I405 HydrophobicContact CG1-CG1 4.14Å; V361-I405 HydrophobicContact CG1-CG2 4.49Å |
| 362 | S | 84.1 | Confident | 84.7 | Confident | 23 Ų | 23 | 31.8 Ų | 31.8 | 16% | 0.161 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -52.1 | -36.7 | -171.7 | 68.4 | 0 | 0 | 0 | 0 | 115.3 | S358 E359 H404 | S358-S362 WeakPolarHBondContact O-CB 3.41Å; S358-S362 PolarHBondContact O-N 3.2Å; S358-S362 PolarHBondContact O-OG 3.19Å; E359-S362 WeakPolarHBondContact CA-OG 3.37Å; E359-S362 PolarHBondContact O-N 2.72Å; E359-S362 PolarHBondContact O-OG 3.28Å; S362-H404 WeakPolarHBondContact CB-ND1 3.33Å |
| 363 | G | 79.5 | Confident | 84.6 | Confident | 53 Ų | 53 | 34.6 Ų | 34.6 | 55% | 0.546 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -12.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V361 | V361-G363 VanDerWaalsContact C-N 3.27Å; V361-G363 PolarHBondContact O-N 3.25Å; V361-G363 VanDerWaalsContact O-N 3.09Å |
| 364 | V | 85.1 | Confident | 84.4 | Confident | 8 Ų | 8 | 41 Ų | 41 | 5% | 0.048 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135 | 12.3 | -172.6 | -70.7 | 0 | 0 | 0 | 0 | 113.2 | L322 Y326 V361 E366 K367 L368 | L322-V364 HydrophobicContact CB-CG1 4.36Å; L322-V364 HydrophobicContact CB-CG2 3.97Å; L322-V364 HydrophobicContact CD1-CG2 4.17Å; L322-V364 HydrophobicContact CG-CG2 4.48Å; Y326-V364 HydrophobicContact CD2-CB 4.02Å; Y326-V364 HydrophobicContact CD2-CG1 3.8Å; Y326-V364 HydrophobicContact CE2-CB 4.43Å; Y326-V364 HydrophobicContact CG-CG1 4.22Å; V361-V364 PolarHBondContact O-N 2.87Å; V364-E366 PolarHBondContact O-N 2.92Å; V364-K367 PolarHBondContact O-N 3.03Å; V364-L368 HydrophobicContact CB-CD1 4.32Å; V364-L368 HydrophobicContact CB-CG 4.42Å; V364-L368 HydrophobicContact CG2-CD1 3.52Å; V364-L368 HydrophobicContact CG2-CG 4.07Å; V364-L368 WeakPolarHBondContact O-CG 3.44Å; V364-L368 PolarHBondContact O-N 3.43Å |
| 365 | V | 86.2 | Confident | 84.4 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -50.1 | -56.2 | -173.7 | 179.4 | 0 | 0 | 0 | 0 | 112.9 | V361 K367 L368 L369 L379 I405 C409 F412 | V361-V365 HydrophobicContact CG1-CG2 3.83Å; V361-V365 WeakPolarHBondContact O-CG2 3.31Å; V361-V365 PolarHBondContact O-N 3.04Å; V361-V365 VanDerWaalsContact O-N 3.13Å; V365-K367 VanDerWaalsContact C-N 3.34Å; V365-K367 PolarHBondContact O-N 3.42Å; V365-L368 PolarHBondContact O-N 3.12Å; V365-L368 VanDerWaalsContact O-N 3.16Å; V365-L369 HydrophobicContact CG1-CD1 3.74Å; V365-L369 HydrophobicContact CG1-CG 4.32Å; V365-L369 WeakPolarHBondContact O-CG 3.35Å; V365-L369 PolarHBondContact O-N 3.15Å; V365-L379 HydrophobicContact CG1-CD2 4.45Å; V365-I405 HydrophobicContact CG2-CB 4.49Å; V365-I405 HydrophobicContact CG2-CG1 4.29Å; V365-I405 HydrophobicContact CG2-CG2 4.16Å; V365-C409 HydrophobicContact CG1-CB 3.72Å; V365-F412 HydrophobicContact CG1-CE2 4.47Å |
| 366 | E | 83.3 | Confident | 84.4 | Confident | 95 Ų | 95 | 40.8 Ų | 40.8 | 44% | 0.444 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.9 | -44.8 | -175.4 | -65.5 | -166.1 | 136.8 | 0 | 0 | 111.8 | V364 L368 L369 D370 S408 S410 | V364-E366 PolarHBondContact O-N 2.92Å; E366-L368 VanDerWaalsContact C-N 3.32Å; E366-L368 PolarHBondContact O-N 2.92Å; E366-L369 PolarHBondContact O-N 3.28Å; E366-D370 PolarHBondContact O-N 2.95Å; E366-S408 WeakPolarHBondContact CG-O 3.23Å; E366-S410 PolarHBondContact OE1-N 3.41Å; E366-S410 PolarHBondContact OE1-OG 2.89Å; E366-S410 VanDerWaalsContact OE1-OG 3.11Å |
| 367 | K | 82.8 | Confident | 84.2 | Confident | 102 Ų | 102 | 47.2 Ų | 47.2 | 44% | 0.443 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.5 | -33.6 | 179.1 | -62.7 | -178.7 | 176.2 | 178.9 | 0 | 112.7 | Y326 V364 V365 A371 | Y326-K367 HydrophobicContact CD1-CB 3.58Å; Y326-K367 HydrophobicContact CD1-CD 3.63Å; Y326-K367 HydrophobicContact CD1-CG 4.22Å; Y326-K367 HydrophobicContact CE1-CB 3.61Å; Y326-K367 HydrophobicContact CE1-CD 4.5Å; Y326-K367 HydrophobicContact CG-CB 4.25Å; Y326-K367 HydrophobicContact CG-CD 3.96Å; Y326-K367 PolarHBondContact O-NZ 3.25Å; V364-K367 PolarHBondContact O-N 3.03Å; V365-K367 VanDerWaalsContact C-N 3.34Å; V365-K367 PolarHBondContact O-N 3.42Å; K367-A371 PolarHBondContact O-N 3.43Å |
| 368 | L | 82.4 | Confident | 84 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 174.9 | -79.5 | 169.5 | 0 | 0 | 0 | 111.5 | L322 Y326 V339 V364 V365 E366 A371 L372 | L322-L368 HydrophobicContact CD2-CD2 4.22Å; Y326-L368 HydrophobicContact CE2-CD2 3.9Å; Y326-L368 HydrophobicContact CE2-CG 4.15Å; Y326-L368 WeakPolarHBondContact OH-CD2 3.29Å; V339-L368 HydrophobicContact CG1-CD2 4.01Å; V339-L368 HydrophobicContact CG2-CD2 3.87Å; V364-L368 HydrophobicContact CB-CD1 4.32Å; V364-L368 HydrophobicContact CB-CG 4.42Å; V364-L368 HydrophobicContact CG2-CD1 3.52Å; V364-L368 HydrophobicContact CG2-CG 4.07Å; V364-L368 WeakPolarHBondContact O-CG 3.44Å; V364-L368 PolarHBondContact O-N 3.43Å; V365-L368 PolarHBondContact O-N 3.12Å; V365-L368 VanDerWaalsContact O-N 3.16Å; E366-L368 VanDerWaalsContact C-N 3.32Å; E366-L368 PolarHBondContact O-N 2.92Å; L368-A371 PolarHBondContact O-N 2.98Å; L368-L372 PolarHBondContact O-N 3.25Å |
| 369 | L | 82.2 | Confident | 84 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.7 | -35.5 | 179.5 | -65.8 | 175.7 | 0 | 0 | 0 | 112.3 | V365 E366 A371 L372 P373 L375 A376 C409 F412 | V365-L369 HydrophobicContact CG1-CD1 3.74Å; V365-L369 HydrophobicContact CG1-CG 4.32Å; V365-L369 WeakPolarHBondContact O-CG 3.35Å; V365-L369 PolarHBondContact O-N 3.15Å; E366-L369 PolarHBondContact O-N 3.28Å; L369-A371 PolarHBondContact O-N 2.76Å; L369-L372 CarbonylContact O-C 3.25Å; L369-L372 VanDerWaalsContact O-C 3.26Å; L369-L372 PolarHBondContact O-N 3.37Å; L369-P373 WeakPolarHBondContact O-CA 3.34Å; L369-L375 HydrophobicContact CD2-CB 4.15Å; L369-L375 HydrophobicContact CD2-CD2 4.41Å; L369-L375 HydrophobicContact CD2-CG 4.22Å; L369-A376 HydrophobicContact CD2-CB 3.88Å; L369-C409 HydrophobicContact CD1-CB 4.16Å; L369-C409 WeakPolarHBondContact CD1-SG 3.48Å; L369-F412 HydrophobicContact CD1-CE1 4.19Å; L369-F412 HydrophobicContact CD1-CE2 4.26Å; L369-F412 HydrophobicContact CD1-CZ 3.73Å |
| 370 | D | 81.1 | Confident | 83.9 | Confident | 131 Ų | 131 | 47.8 Ų | 47.8 | 70% | 0.701 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.4 | -35.9 | 171.4 | -73.9 | -21.1 | 0 | 0 | 0 | 111.9 | E366 | E366-D370 PolarHBondContact O-N 2.95Å |
| 371 | A | 80.8 | Confident | 83.8 | Confident | 62 Ų | 62 | 52.8 Ų | 52.8 | 51% | 0.512 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -80.5 | -34.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K367 L368 L369 | K367-A371 PolarHBondContact O-N 3.43Å; L368-A371 PolarHBondContact O-N 2.98Å; L369-A371 PolarHBondContact O-N 2.76Å |
| 372 | L | 84.3 | Confident | 83.7 | Confident | 31 Ų | 31 | 53.9 Ų | 53.9 | 16% | 0.162 | 30% | 0.301 | C | S | . | . | trans | -135.2 | 82.5 | -176.9 | -70.1 | 167.6 | 0 | 0 | 0 | 110.4 | T336 V339 L368 L369 D374 L375 | T336-L372 HydrophobicContact CG2-CD1 4Å; T336-L372 HydrophobicContact CG2-CD2 3.66Å; V339-L372 HydrophobicContact CB-CD1 3.97Å; V339-L372 HydrophobicContact CG1-CD1 4.03Å; V339-L372 HydrophobicContact CG2-CD1 3.98Å; L368-L372 PolarHBondContact O-N 3.25Å; L369-L372 CarbonylContact O-C 3.25Å; L369-L372 VanDerWaalsContact O-C 3.26Å; L369-L372 PolarHBondContact O-N 3.37Å; L372-D374 VanDerWaalsContact C-N 3.25Å; L372-D374 PolarHBondContact O-N 3.36Å; L372-L375 HydrophobicContact CB-CB 4.26Å; L372-L375 VanDerWaalsContact O-CB 3.24Å; L372-L375 WeakPolarHBondContact O-CB 3.47Å; L372-L375 PolarHBondContact O-N 2.9Å; L372-L375 VanDerWaalsContact O-N 3.08Å | ||
| 373 | P | 80.3 | Confident | 83.7 | Confident | 90 Ų | 90 | 52.8 Ų | 52.8 | 58% | 0.584 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -34.4 | -178 | -24.7 | 34.4 | 0 | 0 | 0 | 113.4 | L369 L375 A376 | L369-P373 WeakPolarHBondContact O-CA 3.34Å; P373-L375 PolarHBondContact O-N 3.36Å; P373-L375 VanDerWaalsContact O-N 3.09Å; P373-A376 VanDerWaalsContact O-CB 3.3Å; P373-A376 WeakPolarHBondContact O-CB 3.24Å; P373-A376 PolarHBondContact O-N 3.13Å |
| 374 | D | 82.7 | Confident | 83.8 | Confident | 137 Ų | 137 | 52.8 Ų | 52.8 | 73% | 0.733 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.6 | 178.8 | -58.8 | -26.3 | 0 | 0 | 0 | 113 | L372 A376 | L372-D374 VanDerWaalsContact C-N 3.25Å; L372-D374 PolarHBondContact O-N 3.36Å; D374-A376 VanDerWaalsContact C-N 3.32Å |
| 375 | L | 85.5 | Confident | 83.6 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73.9 | -23.3 | 177.7 | -178.6 | 61.7 | 0 | 0 | 0 | 112.6 | V339 W340 V343 L369 L372 P373 D377 D378 L379 | V339-L375 HydrophobicContact CG1-CD2 3.65Å; W340-L375 HydrophobicContact CE3-CD1 4.33Å; W340-L375 HydrophobicContact CH2-CD1 4.05Å; W340-L375 HydrophobicContact CZ2-CD1 4.43Å; W340-L375 HydrophobicContact CZ3-CD1 3.99Å; V343-L375 HydrophobicContact CB-CD1 4.33Å; V343-L375 HydrophobicContact CG1-CD1 4.03Å; V343-L375 HydrophobicContact CG2-CD1 3.84Å; V343-L375 HydrophobicContact CG2-CD2 4.24Å; L369-L375 HydrophobicContact CD2-CB 4.15Å; L369-L375 HydrophobicContact CD2-CD2 4.41Å; L369-L375 HydrophobicContact CD2-CG 4.22Å; L372-L375 HydrophobicContact CB-CB 4.26Å; L372-L375 VanDerWaalsContact O-CB 3.24Å; L372-L375 WeakPolarHBondContact O-CB 3.47Å; L372-L375 PolarHBondContact O-N 2.9Å; L372-L375 VanDerWaalsContact O-N 3.08Å; P373-L375 PolarHBondContact O-N 3.36Å; P373-L375 VanDerWaalsContact O-N 3.09Å; L375-D377 PolarHBondContact O-N 2.87Å; L375-D378 PolarHBondContact O-N 3.36Å; L375-L379 HydrophobicContact CD1-CB 4.44Å; L375-L379 HydrophobicContact CG-CB 4.34Å; L375-L379 WeakPolarHBondContact O-CB 3.18Å; L375-L379 PolarHBondContact O-N 3.03Å |
| 376 | A | 84.1 | Confident | 83.3 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 11% | 0.107 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59 | -51.3 | -172 | 0 | 0 | 0 | 0 | 0 | 112.4 | L369 P373 D374 Y380 F412 | L369-A376 HydrophobicContact CD2-CB 3.88Å; P373-A376 VanDerWaalsContact O-CB 3.3Å; P373-A376 WeakPolarHBondContact O-CB 3.24Å; P373-A376 PolarHBondContact O-N 3.13Å; D374-A376 VanDerWaalsContact C-N 3.32Å; A376-Y380 WeakPolarHBondContact O-CB 3.12Å; A376-Y380 PolarHBondContact O-N 2.82Å; A376-F412 HydrophobicContact CB-CE1 4.17Å; A376-F412 WeakPolarHBondContact O-CE1 3.47Å |
| 377 | D | 83.6 | Confident | 83.2 | Confident | 138 Ų | 138 | 54.8 Ų | 54.8 | 74% | 0.738 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.8 | -41.3 | -177.2 | -70.7 | -21.8 | 0 | 0 | 0 | 111.6 | L375 H381 | L375-D377 PolarHBondContact O-N 2.87Å; D377-H381 WeakPolarHBondContact O-CB 3.48Å; D377-H381 PolarHBondContact O-N 3.48Å |
| 378 | D | 84.8 | Confident | 82.8 | Confident | 50 Ų | 50 | 53.4 Ų | 53.4 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.8 | -42.7 | -179.2 | -163.9 | 59.8 | 0 | 0 | 0 | 112 | W340 L375 Y380 H381 R382 | W340-D378 HydrophobicContact CH2-CB 4.12Å; W340-D378 HydrophobicContact CZ3-CB 4.22Å; W340-D378 WeakPolarHBondContact CZ3-OD2 3.47Å; L375-D378 PolarHBondContact O-N 3.36Å; D378-Y380 VanDerWaalsContact C-N 3.34Å; D378-Y380 PolarHBondContact O-N 3.16Å; D378-H381 PolarHBondContact O-N 3.24Å; D378-R382 WeakPolarHBondContact O-CG 3.4Å; D378-R382 PolarHBondContact O-N 3.05Å; D378-R382 IonicContact OD1-NE 3.36Å; D378-R382 IonicContact OD2-CZ 2.86Å; D378-R382 VanDerWaalsContact OD2-CZ 3.24Å; D378-R382 IonicContact OD2-NE 3.46Å; D378-R382 PolarHBondContact OD2-NE 3.23Å; D378-R382 IonicContact OD2-NH2 2.79Å; D378-R382 PolarHBondContact OD2-NH2 3.5Å |
| 379 | L | 87.5 | Confident | 82.4 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 176.8 | -177.7 | 63.5 | 0 | 0 | 0 | 111.1 | V343 L346 V361 V365 L375 C383 I405 F412 | V343-L379 HydrophobicContact CG1-CD1 4.29Å; L346-L379 HydrophobicContact CD1-CD1 3.53Å; V361-L379 HydrophobicContact CG1-CD1 4.41Å; V361-L379 HydrophobicContact CG1-CD2 4.19Å; V365-L379 HydrophobicContact CG1-CD2 4.45Å; L375-L379 HydrophobicContact CD1-CB 4.44Å; L375-L379 HydrophobicContact CG-CB 4.34Å; L375-L379 WeakPolarHBondContact O-CB 3.18Å; L375-L379 PolarHBondContact O-N 3.03Å; L379-C383 WeakPolarHBondContact O-CB 3.26Å; L379-C383 PolarHBondContact O-N 3.4Å; L379-C383 PolarHBondContact O-SG 3.49Å; L379-I405 HydrophobicContact CD1-CG2 4.48Å; L379-I405 HydrophobicContact CD2-CG2 4.01Å; L379-I405 HydrophobicContact CG-CG2 4.24Å; L379-F412 HydrophobicContact CB-CZ 4.44Å; L379-F412 HydrophobicContact CD2-CE2 4.24Å; L379-F412 HydrophobicContact CD2-CZ 4.14Å; L379-F412 HydrophobicContact CG-CZ 4.41Å |
| 380 | Y | 85.2 | Confident | 81.7 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 17% | 0.169 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.7 | -49.7 | 174.2 | 178.8 | -88.9 | 0 | 0 | 0 | 110.8 | A376 D378 R382 C383 E384 L406 F412 V414 | A376-Y380 WeakPolarHBondContact O-CB 3.12Å; A376-Y380 PolarHBondContact O-N 2.82Å; D378-Y380 VanDerWaalsContact C-N 3.34Å; D378-Y380 PolarHBondContact O-N 3.16Å; Y380-R382 PolarHBondContact O-N 3.43Å; Y380-C383 PolarHBondContact O-N 2.89Å; Y380-E384 HydrophobicContact CE1-CB 4.31Å; Y380-E384 VanDerWaalsContact CE1-OE2 3.31Å; Y380-E384 WeakPolarHBondContact CE1-OE2 3.3Å; Y380-E384 WeakPolarHBondContact O-CB 3.38Å; Y380-E384 PolarHBondContact O-N 3.41Å; Y380-E384 PolarHBondContact OH-OE1 2.71Å; Y380-L406 HydrophobicContact CD2-CD2 3.98Å; Y380-L406 HydrophobicContact CE2-CD2 4.34Å; Y380-F412 HydrophobicContact CD2-CB 4.37Å; Y380-F412 HydrophobicContact CD2-CD1 4.2Å; Y380-F412 HydrophobicContact CD2-CG 4.22Å; Y380-V414 HydrophobicContact CE2-CB 4.43Å; Y380-V414 HydrophobicContact CE2-CG2 4.09Å |
| 381 | H | 85.1 | Confident | 80.6 | Confident | 109 Ų | 109 | 53.5 Ų | 53.5 | 51% | 0.505 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | -178.1 | -169.8 | 60 | 0 | 0 | 0 | 112.7 | D377 D378 K385 | D377-H381 WeakPolarHBondContact O-CB 3.48Å; D377-H381 PolarHBondContact O-N 3.48Å; D378-H381 PolarHBondContact O-N 3.24Å; H381-K385 WeakPolarHBondContact O-CB 3.44Å; H381-K385 PolarHBondContact O-N 2.83Å |
| 382 | R | 86.6 | Confident | 79.6 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 176.2 | -70.4 | -178.3 | -166 | -138.8 | 28.5 | 112.1 | D344 E347 D378 Y380 R386 | D344-R382 IonicContact OD1-CZ 3.18Å; D344-R382 IonicContact OD1-NH1 3.72Å; D344-R382 PolarHBondContact OD1-NH1 3.12Å; D344-R382 IonicContact OD1-NH2 3.94Å; D344-R382 PolarHBondContact OD1-NH2 3.31Å; E347-R382 HydrophobicContact CG-CG 4.13Å; E347-R382 IonicContact OE2-CZ 2.72Å; E347-R382 IonicContact OE2-NE 3.97Å; E347-R382 IonicContact OE2-NH1 2.77Å; E347-R382 PolarHBondContact OE2-NH1 2.89Å; D378-R382 WeakPolarHBondContact O-CG 3.4Å; D378-R382 PolarHBondContact O-N 3.05Å; D378-R382 IonicContact OD1-NE 3.36Å; D378-R382 IonicContact OD2-CZ 2.86Å; D378-R382 VanDerWaalsContact OD2-CZ 3.24Å; D378-R382 IonicContact OD2-NE 3.46Å; D378-R382 PolarHBondContact OD2-NE 3.23Å; D378-R382 IonicContact OD2-NH2 2.79Å; D378-R382 PolarHBondContact OD2-NH2 3.5Å; Y380-R382 PolarHBondContact O-N 3.43Å; R382-R386 WeakPolarHBondContact O-CB 3.36Å; R382-R386 PolarHBondContact O-N 3.27Å |
| 383 | C | 85.5 | Confident | 78.3 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 176.9 | -67.5 | 0 | 0 | 0 | 0 | 111 | L379 Y380 R386 L387 L406 | L379-C383 WeakPolarHBondContact O-CB 3.26Å; L379-C383 PolarHBondContact O-N 3.4Å; L379-C383 PolarHBondContact O-SG 3.49Å; Y380-C383 PolarHBondContact O-N 2.89Å; C383-R386 PolarHBondContact O-N 3.26Å; C383-L387 WeakPolarHBondContact O-CB 3.47Å; C383-L387 WeakPolarHBondContact O-CD1 3.49Å; C383-L387 PolarHBondContact O-N 3.45Å; C383-L406 HydrophobicContact CB-CD1 4.39Å; C383-L406 HydrophobicContact CB-CD2 4Å; C383-L406 HydrophobicContact CB-CG 4.2Å |
| 384 | E | 81 | Confident | 77 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -47.8 | 179.9 | -175.4 | 177.1 | -135.9 | 0 | 0 | 111.9 | Y380 R386 L387 S388 S418 | Y380-E384 HydrophobicContact CE1-CB 4.31Å; Y380-E384 VanDerWaalsContact CE1-OE2 3.31Å; Y380-E384 WeakPolarHBondContact CE1-OE2 3.3Å; Y380-E384 WeakPolarHBondContact O-CB 3.38Å; Y380-E384 PolarHBondContact O-N 3.41Å; Y380-E384 PolarHBondContact OH-OE1 2.71Å; E384-R386 VanDerWaalsContact C-N 3.34Å; E384-R386 PolarHBondContact O-N 3.03Å; E384-L387 PolarHBondContact O-N 3.35Å; E384-S388 WeakPolarHBondContact O-CB 3.36Å; E384-S388 PolarHBondContact O-N 3.12Å; E384-S418 WeakPolarHBondContact OE1-CB 3.21Å; E384-S418 PolarHBondContact OE1-OG 3.21Å |
| 385 | K | 81 | Confident | 75.8 | Confident | 87 Ų | 87 | 58.8 Ų | 58.8 | 38% | 0.378 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.5 | -46.3 | 176.6 | 178.2 | -177.4 | 167.8 | -163.1 | 0 | 111.1 | E347 H381 S388 M389 | E347-K385 IonicContact OE1-NZ 2.86Å; E347-K385 PolarHBondContact OE1-NZ 2.88Å; H381-K385 WeakPolarHBondContact O-CB 3.44Å; H381-K385 PolarHBondContact O-N 2.83Å; K385-S388 PolarHBondContact O-N 3.43Å; K385-S388 PolarHBondContact O-OG 2.91Å; K385-M389 HydrophobicContact CG-CE 4.4Å; K385-M389 PolarHBondContact O-N 3.36Å |
| 386 | R | 80.3 | Confident | 74.8 | Confident | 46 Ų | 46 | 59.7 Ų | 59.7 | 17% | 0.174 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.2 | -47.1 | 179.4 | -162.1 | 73.6 | 178.9 | -173.1 | -1.7 | 111.4 | N348 R382 C383 E384 S388 M389 H390 L402 | N348-R386 PolarHBondContact O-NH1 2.68Å; N348-R386 PolarHBondContact O-NH2 3.25Å; R382-R386 WeakPolarHBondContact O-CB 3.36Å; R382-R386 PolarHBondContact O-N 3.27Å; C383-R386 PolarHBondContact O-N 3.26Å; E384-R386 VanDerWaalsContact C-N 3.34Å; E384-R386 PolarHBondContact O-N 3.03Å; R386-S388 VanDerWaalsContact C-N 3.3Å; R386-S388 PolarHBondContact O-N 3.21Å; R386-M389 PolarHBondContact O-N 3.49Å; R386-M389 VanDerWaalsContact O-N 3.09Å; R386-H390 VanDerWaalsContact CD-CE1 3.45Å; R386-H390 WeakPolarHBondContact CD-CE1 3.47Å; R386-H390 PolarHBondContact NE-CE1 3.25Å; R386-H390 PolarHBondContact NE-NE2 3Å; R386-H390 PolarHBondContact O-N 3.19Å; R386-H390 PolarHBondContact O-ND1 3.47Å; R386-L402 HydrophobicContact CB-CD1 3.9Å; R386-L402 HydrophobicContact CG-CD1 3.77Å |
| 387 | L | 79.4 | Confident | 74 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -53.4 | -47.1 | 174 | -89.8 | 149.1 | 0 | 0 | 0 | 111.4 | C383 E384 M389 H390 C391 V399 L402 L403 L406 L425 | C383-L387 WeakPolarHBondContact O-CB 3.47Å; C383-L387 WeakPolarHBondContact O-CD1 3.49Å; C383-L387 PolarHBondContact O-N 3.45Å; E384-L387 PolarHBondContact O-N 3.35Å; L387-M389 PolarHBondContact O-N 3.19Å; L387-H390 PolarHBondContact O-N 3.36Å; L387-C391 PolarHBondContact O-N 2.91Å; L387-C391 PolarHBondContact O-SG 3.44Å; L387-V399 HydrophobicContact CD2-CG1 4.19Å; L387-L402 HydrophobicContact CD1-CB 4.09Å; L387-L402 HydrophobicContact CG-CB 4.26Å; L387-L402 HydrophobicContact CG-CD1 4.36Å; L387-L403 HydrophobicContact CD1-CD2 4.39Å; L387-L403 HydrophobicContact CD2-CD2 3.74Å; L387-L403 HydrophobicContact CD2-CG 4.19Å; L387-L406 HydrophobicContact CD1-CD1 3.35Å; L387-L425 HydrophobicContact CD2-CD1 4.38Å |
| 388 | S | 75.2 | Confident | 73.7 | Confident | 73 Ų | 73 | 52.9 Ų | 52.9 | 51% | 0.51 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.3 | -30.1 | 180 | 76.6 | 0 | 0 | 0 | 0 | 114.1 | E384 K385 R386 | E384-S388 WeakPolarHBondContact O-CB 3.36Å; E384-S388 PolarHBondContact O-N 3.12Å; K385-S388 PolarHBondContact O-N 3.43Å; K385-S388 PolarHBondContact O-OG 2.91Å; R386-S388 VanDerWaalsContact C-N 3.3Å; R386-S388 PolarHBondContact O-N 3.21Å |
| 389 | M | 73.6 | Confident | 73.5 | Confident | 115 Ų | 115 | 50.8 Ų | 50.8 | 57% | 0.567 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -75.6 | -31.2 | 176.7 | -70.8 | 177.7 | 171.2 | 0 | 0 | 112.5 | K385 R386 L387 | K385-M389 HydrophobicContact CG-CE 4.4Å; K385-M389 PolarHBondContact O-N 3.36Å; R386-M389 PolarHBondContact O-N 3.49Å; R386-M389 VanDerWaalsContact O-N 3.09Å; L387-M389 PolarHBondContact O-N 3.19Å |
| 390 | H | 68 | Low | 73.2 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 10% | 0.102 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -96.3 | -5.9 | -170.1 | -61.6 | 54.6 | 0 | 0 | 0 | 112.8 | R386 L387 N392 D393 D396 V399 | R386-H390 VanDerWaalsContact CD-CE1 3.45Å; R386-H390 WeakPolarHBondContact CD-CE1 3.47Å; R386-H390 PolarHBondContact NE-CE1 3.25Å; R386-H390 PolarHBondContact NE-NE2 3Å; R386-H390 PolarHBondContact O-N 3.19Å; R386-H390 PolarHBondContact O-ND1 3.47Å; L387-H390 PolarHBondContact O-N 3.36Å; H390-N392 PolarHBondContact O-N 3.4Å; H390-D393 PolarHBondContact O-N 3.19Å; H390-D396 IonicContact CD2-OD2 3.71Å; H390-D396 PolarHBondContact CD2-OD2 3.08Å; H390-D396 IonicContact CG-OD2 3.21Å; H390-V399 HydrophobicContact CB-CG2 4.1Å |
| 391 | C | 58.6 | Low | 73.1 | Confident | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -1.4 | -175.7 | -67.7 | 0 | 0 | 0 | 0 | 115.2 | L387 C422 | L387-C391 PolarHBondContact O-N 2.91Å; L387-C391 PolarHBondContact O-SG 3.44Å; C391-C422 HydrophobicContact CB-CB 4.08Å; C391-C422 WeakPolarHBondContact CB-SG 3.29Å; C391-C422 WeakPolarHBondContact SG-CB 3.38Å; C391-C422 CovalentContact SG-SG 2.05Å; C391-C422 PolarHBondContact SG-SG 3.15Å |
| 392 | N | 58.6 | Low | 73.2 | Confident | 138 Ų | 138 | 47.9 Ų | 47.9 | 74% | 0.738 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -15.4 | 173.5 | -69.6 | -24.5 | 0 | 0 | 0 | 114.5 | H390 | H390-N392 PolarHBondContact O-N 3.4Š|
| 393 | D | 56.8 | Low | 73.2 | Confident | 95 Ų | 95 | 46.8 Ų | 46.8 | 51% | 0.508 | 25% | 0.248 | S | C | . | . | trans | -109.2 | 114.4 | -174.5 | -68.5 | -33.8 | 0 | 0 | 0 | 110.3 | H390 T395 | H390-D393 PolarHBondContact O-N 3.19Å; D393-T395 PolarHBondContact O-N 3.45Å | ||
| 394 | N | 54 | Low | 73.1 | Confident | 109 Ų | 109 | 50.3 Ų | 50.3 | 58% | 0.583 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 11.9 | -177.3 | -80.2 | -16.2 | 0 | 0 | 0 | 113.9 | ||
| 395 | T | 56.7 | Low | 73.4 | Confident | 89 Ų | 89 | 47.8 Ų | 47.8 | 55% | 0.546 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -5.8 | -165.9 | 37.9 | 0 | 0 | 0 | 0 | 115.2 | D393 A397 | D393-T395 PolarHBondContact O-N 3.45Å; T395-A397 PolarHBondContact O-N 2.97Å |
| 396 | D | 64.4 | Low | 73.6 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | trans | -100.6 | 106.9 | -154.8 | -63.4 | 3.2 | 0 | 0 | 0 | 112.1 | E351 H390 S398 V399 | E351-D396 WeakPolarHBondContact OE1-CA 3.47Å; E351-D396 WeakPolarHBondContact OE1-CB 3.22Å; H390-D396 IonicContact CD2-OD2 3.71Å; H390-D396 PolarHBondContact CD2-OD2 3.08Å; H390-D396 IonicContact CG-OD2 3.21Å; D396-S398 PolarHBondContact O-N 2.92Å; D396-V399 HydrophobicContact CB-CG2 4.21Å; D396-V399 WeakPolarHBondContact O-CB 3.21Å; D396-V399 WeakPolarHBondContact O-CG2 3.36Å; D396-V399 PolarHBondContact O-N 3.29Å | ||
| 397 | A | 68.1 | Low | 73.8 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -30.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | H262 E351 I355 T395 V399 K400 | H262-A397 WeakPolarHBondContact CE1-CB 3.38Å; E351-A397 PolarHBondContact OE1-N 3.2Å; I355-A397 HydrophobicContact CD1-CB 3.5Å; I355-A397 VanDerWaalsContact CD1-CB 3.5Å; I355-A397 HydrophobicContact CG1-CB 4.21Å; T395-A397 PolarHBondContact O-N 2.97Å; A397-V399 PolarHBondContact O-N 3.21Å; A397-K400 PolarHBondContact O-N 3.02Å |
| 398 | S | 76.6 | Confident | 73.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.1 | -29.8 | 178.1 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | E351 D396 K400 G401 L402 | E351-S398 PolarHBondContact OE1-N 3.19Å; E351-S398 VanDerWaalsContact OE1-N 3.13Å; E351-S398 PolarHBondContact OE1-OG 3.36Å; D396-S398 PolarHBondContact O-N 2.92Å; S398-K400 VanDerWaalsContact C-N 3.28Å; S398-K400 PolarHBondContact O-N 3.48Å; S398-G401 PolarHBondContact O-N 3.41Å; S398-L402 WeakPolarHBondContact O-CG 3.13Å; S398-L402 PolarHBondContact O-N 3.28Å |
| 399 | V | 81.2 | Confident | 74.1 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.7 | -39.5 | -179.5 | 175.8 | 0 | 0 | 0 | 0 | 111.9 | L387 H390 D396 A397 G401 L402 L403 L425 I433 | L387-V399 HydrophobicContact CD2-CG1 4.19Å; H390-V399 HydrophobicContact CB-CG2 4.1Å; D396-V399 HydrophobicContact CB-CG2 4.21Å; D396-V399 WeakPolarHBondContact O-CB 3.21Å; D396-V399 WeakPolarHBondContact O-CG2 3.36Å; D396-V399 PolarHBondContact O-N 3.29Å; A397-V399 PolarHBondContact O-N 3.21Å; V399-G401 PolarHBondContact O-N 3.29Å; V399-L402 PolarHBondContact O-N 3.45Å; V399-L403 HydrophobicContact CG1-CD1 3.74Å; V399-L403 HydrophobicContact CG1-CG 4.05Å; V399-L403 WeakPolarHBondContact O-CB 3.38Å; V399-L403 VanDerWaalsContact O-CG 3.27Å; V399-L403 WeakPolarHBondContact O-CG 3.46Å; V399-L403 PolarHBondContact O-N 3.1Å; V399-L425 HydrophobicContact CG1-CD1 4.32Å; V399-L425 HydrophobicContact CG1-CD2 3.95Å; V399-I433 HydrophobicContact CB-CD1 4.23Å; V399-I433 HydrophobicContact CG1-CD1 4.31Å; V399-I433 HydrophobicContact CG1-CG2 4.27Å |
| 400 | K | 82.3 | Confident | 74.1 | Confident | 82 Ų | 82 | 39.9 Ų | 39.9 | 36% | 0.357 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.2 | -48.4 | 179.5 | 177.6 | 176.3 | 170.1 | 173.2 | 0 | 111.6 | A397 S398 H404 M430 D432 I433 L436 | A397-K400 PolarHBondContact O-N 3.02Å; S398-K400 VanDerWaalsContact C-N 3.28Å; S398-K400 PolarHBondContact O-N 3.48Å; K400-H404 WeakPolarHBondContact O-CB 3.14Å; K400-H404 PolarHBondContact O-N 2.98Å; K400-M430 HydrophobicContact CB-CE 4.5Å; K400-D432 HydrophobicContact CD-CB 4.18Å; K400-D432 WeakPolarHBondContact CE-OD2 3.43Å; K400-D432 IonicContact NZ-OD2 2.76Å; K400-D432 PolarHBondContact NZ-OD2 3.3Å; K400-I433 HydrophobicContact CB-CD1 4.17Å; K400-I433 HydrophobicContact CB-CG1 3.88Å; K400-L436 HydrophobicContact CG-CD1 4.15Å |
| 401 | G | 83.1 | Confident | 74.3 | Confident | 10 Ų | 10 | 45.2 Ų | 45.2 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.9 | -40.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S358 S398 V399 H404 I405 | S358-G401 WeakPolarHBondContact OG-CA 3.35Å; S398-G401 PolarHBondContact O-N 3.41Å; V399-G401 PolarHBondContact O-N 3.29Å; G401-H404 PolarHBondContact O-N 3.34Å; G401-I405 WeakPolarHBondContact O-CG1 3.25Å; G401-I405 PolarHBondContact O-N 3.4Å |
| 402 | L | 85.4 | Confident | 75.2 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 176.5 | -62.4 | 174.4 | 0 | 0 | 0 | 112.1 | L346 R386 L387 S398 V399 H404 I405 L406 | L346-L402 HydrophobicContact CD2-CD2 4.37Å; R386-L402 HydrophobicContact CB-CD1 3.9Å; R386-L402 HydrophobicContact CG-CD1 3.77Å; L387-L402 HydrophobicContact CD1-CB 4.09Å; L387-L402 HydrophobicContact CG-CB 4.26Å; L387-L402 HydrophobicContact CG-CD1 4.36Å; S398-L402 WeakPolarHBondContact O-CG 3.13Å; S398-L402 PolarHBondContact O-N 3.28Å; V399-L402 PolarHBondContact O-N 3.45Å; L402-H404 VanDerWaalsContact C-N 3.28Å; L402-H404 PolarHBondContact O-N 3.16Å; L402-I405 PolarHBondContact O-N 3.15Å; L402-L406 WeakPolarHBondContact O-CG 3.43Å; L402-L406 PolarHBondContact O-N 2.96Å; L402-L406 VanDerWaalsContact O-N 3.14Å |
| 403 | L | 86.6 | Confident | 75.7 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.6 | -37.3 | 175.8 | -67 | 173.2 | 0 | 0 | 0 | 111.6 | L387 V399 L406 D407 L425 I433 L436 L440 | L387-L403 HydrophobicContact CD1-CD2 4.39Å; L387-L403 HydrophobicContact CD2-CD2 3.74Å; L387-L403 HydrophobicContact CD2-CG 4.19Å; V399-L403 HydrophobicContact CG1-CD1 3.74Å; V399-L403 HydrophobicContact CG1-CG 4.05Å; V399-L403 WeakPolarHBondContact O-CB 3.38Å; V399-L403 VanDerWaalsContact O-CG 3.27Å; V399-L403 WeakPolarHBondContact O-CG 3.46Å; V399-L403 PolarHBondContact O-N 3.1Å; L403-L406 PolarHBondContact O-N 3.27Å; L403-D407 WeakPolarHBondContact O-CB 3.4Å; L403-D407 PolarHBondContact O-N 2.81Å; L403-L425 HydrophobicContact CD1-CD1 4.36Å; L403-L425 HydrophobicContact CD2-CD1 4.36Å; L403-I433 HydrophobicContact CD1-CB 4.46Å; L403-I433 HydrophobicContact CD1-CG2 3.86Å; L403-L436 HydrophobicContact CB-CB 3.87Å; L403-L436 HydrophobicContact CB-CD1 4.22Å; L403-L436 HydrophobicContact CD1-CB 4.25Å; L403-L440 HydrophobicContact CB-CD1 4.16Å; L403-L440 HydrophobicContact CD2-CD1 3.49Å; L403-L440 VanDerWaalsContact CD2-CD1 3.49Å; L403-L440 HydrophobicContact CG-CD1 4.41Å |
| 404 | H | 85.2 | Confident | 76.5 | Confident | 73 Ų | 73 | 38.3 Ų | 38.3 | 34% | 0.338 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.4 | -40.1 | 177 | -168 | -72.9 | 0 | 0 | 0 | 112.3 | S362 K400 G401 L402 L406 D407 S408 L436 | S362-H404 WeakPolarHBondContact CB-ND1 3.33Å; K400-H404 WeakPolarHBondContact O-CB 3.14Å; K400-H404 PolarHBondContact O-N 2.98Å; G401-H404 PolarHBondContact O-N 3.34Å; L402-H404 VanDerWaalsContact C-N 3.28Å; L402-H404 PolarHBondContact O-N 3.16Å; H404-L406 VanDerWaalsContact C-N 3.34Å; H404-D407 PolarHBondContact O-N 3.32Å; H404-S408 PolarHBondContact CE1-OG 3.45Å; H404-S408 PolarHBondContact ND1-OG 2.88Å; H404-S408 VanDerWaalsContact O-CB 3.26Å; H404-S408 WeakPolarHBondContact O-CB 3.46Å; H404-S408 PolarHBondContact O-N 3.24Å; H404-S408 PolarHBondContact O-OG 3.39Å; H404-L436 HydrophobicContact CB-CD1 4.21Å; H404-L436 HydrophobicContact CB-CD2 4.41Å |
| 405 | I | 86 | Confident | 77.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 174.9 | -70 | 167.9 | 0 | 0 | 0 | 110.4 | V361 V365 L379 G401 L402 D407 C409 F412 | V361-I405 HydrophobicContact CB-CD1 4.04Å; V361-I405 HydrophobicContact CB-CG1 4.49Å; V361-I405 HydrophobicContact CG1-CD1 3.93Å; V361-I405 HydrophobicContact CG1-CG1 4.14Å; V361-I405 HydrophobicContact CG1-CG2 4.49Å; V365-I405 HydrophobicContact CG2-CB 4.49Å; V365-I405 HydrophobicContact CG2-CG1 4.29Å; V365-I405 HydrophobicContact CG2-CG2 4.16Å; L379-I405 HydrophobicContact CD1-CG2 4.48Å; L379-I405 HydrophobicContact CD2-CG2 4.01Å; L379-I405 HydrophobicContact CG-CG2 4.24Å; G401-I405 WeakPolarHBondContact O-CG1 3.25Å; G401-I405 PolarHBondContact O-N 3.4Å; L402-I405 PolarHBondContact O-N 3.15Å; I405-D407 PolarHBondContact O-N 2.94Å; I405-C409 PolarHBondContact O-N 2.97Å; I405-F412 HydrophobicContact CG2-CE2 4.4Å |
| 406 | L | 85.6 | Confident | 78.6 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65 | -38.6 | 178.9 | -66.2 | 176.7 | 0 | 0 | 0 | 112.4 | Y380 C383 L387 L402 L403 H404 F412 V414 L440 K443 | Y380-L406 HydrophobicContact CD2-CD2 3.98Å; Y380-L406 HydrophobicContact CE2-CD2 4.34Å; C383-L406 HydrophobicContact CB-CD1 4.39Å; C383-L406 HydrophobicContact CB-CD2 4Å; C383-L406 HydrophobicContact CB-CG 4.2Å; L387-L406 HydrophobicContact CD1-CD1 3.35Å; L402-L406 WeakPolarHBondContact O-CG 3.43Å; L402-L406 PolarHBondContact O-N 2.96Å; L402-L406 VanDerWaalsContact O-N 3.14Å; L403-L406 PolarHBondContact O-N 3.27Å; H404-L406 VanDerWaalsContact C-N 3.34Å; L406-F412 HydrophobicContact CD2-CD2 4.06Å; L406-V414 HydrophobicContact CB-CG2 4.25Å; L406-V414 HydrophobicContact CD1-CG2 4.18Å; L406-V414 HydrophobicContact CD2-CG2 4.34Å; L406-L440 HydrophobicContact CB-CD1 4.16Å; L406-L440 HydrophobicContact CB-CD2 3.67Å; L406-K443 PolarHBondContact O-NZ 3.25Å; L406-K443 VanDerWaalsContact O-NZ 3.09Å |
| 407 | D | 84.7 | Confident | 79.3 | Confident | 39 Ų | 39 | 35.4 Ų | 35.4 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.9 | -39.5 | -178.3 | -165.2 | 42.8 | 0 | 0 | 0 | 111.3 | L403 H404 I405 C409 L436 S439 L440 K443 | L403-D407 WeakPolarHBondContact O-CB 3.4Å; L403-D407 PolarHBondContact O-N 2.81Å; H404-D407 PolarHBondContact O-N 3.32Å; I405-D407 PolarHBondContact O-N 2.94Å; D407-C409 PolarHBondContact O-N 2.73Å; D407-L436 HydrophobicContact CB-CD2 4.17Å; D407-S439 VanDerWaalsContact OD1-CB 3.25Å; D407-S439 WeakPolarHBondContact OD1-CB 3.27Å; D407-S439 PolarHBondContact OD1-OG 3.12Å; D407-S439 VanDerWaalsContact OD1-OG 3.08Å; D407-S439 WeakPolarHBondContact OD2-CB 3.43Å; D407-S439 PolarHBondContact OD2-OG 3.38Å; D407-L440 HydrophobicContact CB-CD2 4.05Å; D407-L440 HydrophobicContact CB-CG 4.2Å; D407-K443 PolarHBondContact O-NZ 3.35Å |
| 408 | S | 81.9 | Confident | 79.7 | Confident | 38 Ų | 38 | 36.7 Ų | 36.7 | 27% | 0.266 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.4 | -28.9 | -175 | -59.7 | 0 | 0 | 0 | 0 | 114 | E366 H404 | E366-S408 WeakPolarHBondContact CG-O 3.23Å; H404-S408 PolarHBondContact CE1-OG 3.45Å; H404-S408 PolarHBondContact ND1-OG 2.88Å; H404-S408 VanDerWaalsContact O-CB 3.26Å; H404-S408 WeakPolarHBondContact O-CB 3.46Å; H404-S408 PolarHBondContact O-N 3.24Å; H404-S408 PolarHBondContact O-OG 3.39Å |
| 409 | C | 79.4 | Confident | 79.9 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | trans | -91.6 | 109.3 | -175.6 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | V365 L369 I405 D407 M411 F412 K443 | V365-C409 HydrophobicContact CG1-CB 3.72Å; L369-C409 HydrophobicContact CD1-CB 4.16Å; L369-C409 WeakPolarHBondContact CD1-SG 3.48Å; I405-C409 PolarHBondContact O-N 2.97Å; D407-C409 PolarHBondContact O-N 2.73Å; C409-M411 PolarHBondContact O-N 3.47Å; C409-M411 VanDerWaalsContact O-N 3.1Å; C409-F412 HydrophobicContact CB-CB 4.3Å; C409-F412 HydrophobicContact CB-CD2 3.29Å; C409-F412 HydrophobicContact CB-CE2 3.61Å; C409-F412 HydrophobicContact CB-CG 3.79Å; C409-F412 HydrophobicContact CB-CZ 4.36Å; C409-F412 PolarHBondContact O-N 2.74Å; C409-K443 VanDerWaalsContact C-NZ 3.33Å; C409-K443 PolarHBondContact O-NZ 3.41Å | ||
| 410 | S | 73.4 | Confident | 79.8 | Confident | 88 Ų | 88 | 38.6 Ų | 38.6 | 62% | 0.615 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -28 | 177.3 | 50.9 | 0 | 0 | 0 | 0 | 115.3 | E366 F412 | E366-S410 PolarHBondContact OE1-N 3.41Å; E366-S410 PolarHBondContact OE1-OG 2.89Å; E366-S410 VanDerWaalsContact OE1-OG 3.11Å; S410-F412 VanDerWaalsContact C-N 3.35Å |
| 411 | M | 71.3 | Confident | 79.7 | Confident | 134 Ų | 134 | 39.6 Ų | 39.6 | 66% | 0.66 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -22.8 | 178.1 | -60.3 | -167.7 | 71.8 | 0 | 0 | 114 | C409 T413 | C409-M411 PolarHBondContact O-N 3.47Å; C409-M411 VanDerWaalsContact O-N 3.1Å; M411-T413 PolarHBondContact O-N 3.33Å |
| 412 | F | 77.4 | Confident | 79.5 | Confident | 11 Ų | 11 | 39.6 Ų | 39.6 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | trans | -80.9 | 105.5 | -178.4 | -63.5 | -22.9 | 0 | 0 | 0 | 110.6 | V365 L369 A376 L379 Y380 I405 L406 C409 S410 | V365-F412 HydrophobicContact CG1-CE2 4.47Å; L369-F412 HydrophobicContact CD1-CE1 4.19Å; L369-F412 HydrophobicContact CD1-CE2 4.26Å; L369-F412 HydrophobicContact CD1-CZ 3.73Å; A376-F412 HydrophobicContact CB-CE1 4.17Å; A376-F412 WeakPolarHBondContact O-CE1 3.47Å; L379-F412 HydrophobicContact CB-CZ 4.44Å; L379-F412 HydrophobicContact CD2-CE2 4.24Å; L379-F412 HydrophobicContact CD2-CZ 4.14Å; L379-F412 HydrophobicContact CG-CZ 4.41Å; Y380-F412 HydrophobicContact CD2-CB 4.37Å; Y380-F412 HydrophobicContact CD2-CD1 4.2Å; Y380-F412 HydrophobicContact CD2-CG 4.22Å; I405-F412 HydrophobicContact CG2-CE2 4.4Å; L406-F412 HydrophobicContact CD2-CD2 4.06Å; C409-F412 HydrophobicContact CB-CB 4.3Å; C409-F412 HydrophobicContact CB-CD2 3.29Å; C409-F412 HydrophobicContact CB-CE2 3.61Å; C409-F412 HydrophobicContact CB-CG 3.79Å; C409-F412 HydrophobicContact CB-CZ 4.36Å; C409-F412 PolarHBondContact O-N 2.74Å; S410-F412 VanDerWaalsContact C-N 3.35Å | ||
| 413 | T | 70.3 | Confident | 79.3 | Confident | 79 Ų | 79 | 39.9 Ų | 39.9 | 49% | 0.485 | 23% | 0.229 | S | C | . | . | trans | -99 | 91.5 | 165.2 | 55.5 | 0 | 0 | 0 | 0 | 108.6 | M411 N415 S447 | M411-T413 PolarHBondContact O-N 3.33Å; T413-N415 PolarHBondContact O-N 3.24Å; T413-S447 WeakPolarHBondContact CG2-OG 3.48Å | ||
| 414 | V | 73.2 | Confident | 78.9 | Confident | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | trans | -62.4 | 129.2 | 176.1 | -170.6 | 0 | 0 | 0 | 0 | 108.7 | Y380 L406 L416 L419 L440 S444 | Y380-V414 HydrophobicContact CE2-CB 4.43Å; Y380-V414 HydrophobicContact CE2-CG2 4.09Å; L406-V414 HydrophobicContact CB-CG2 4.25Å; L406-V414 HydrophobicContact CD1-CG2 4.18Å; L406-V414 HydrophobicContact CD2-CG2 4.34Å; V414-L416 PolarHBondContact O-N 3.02Å; V414-L419 HydrophobicContact CB-CD1 4.17Å; V414-L419 HydrophobicContact CB-CD2 4.48Å; V414-L419 HydrophobicContact CB-CG 4.25Å; V414-L419 HydrophobicContact CG1-CD1 4.18Å; V414-L419 HydrophobicContact CG1-CD2 3.87Å; V414-L419 HydrophobicContact CG1-CG 3.71Å; V414-L440 HydrophobicContact CG2-CD2 4.08Å; V414-S444 WeakPolarHBondContact O-CB 3.39Å; V414-S444 PolarHBondContact O-OG 3.01Å | ||
| 415 | N | 76.1 | Confident | 78.9 | Confident | 80 Ų | 80 | 40.2 Ų | 40.2 | 43% | 0.428 | 23% | 0.233 | S | C | . | . | trans | -59 | 130.2 | 176.6 | -174.2 | -9.2 | 0 | 0 | 0 | 109.6 | T413 D417 S418 L419 | T413-N415 PolarHBondContact O-N 3.24Å; N415-D417 PolarHBondContact O-N 3.5Å; N415-D417 PolarHBondContact OD1-N 3.3Å; N415-S418 WeakPolarHBondContact O-CB 3.37Å; N415-S418 PolarHBondContact O-N 3.43Å; N415-L419 PolarHBondContact O-N 2.91Å | ||
| 416 | L | 78.4 | Confident | 78.6 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.1 | -35.1 | 178.1 | -130.8 | 99.3 | 0 | 0 | 0 | 111.5 | V414 S418 L419 V420 S444 L445 Y458 F462 | V414-L416 PolarHBondContact O-N 3.02Å; L416-S418 VanDerWaalsContact C-N 3.32Å; L416-S418 PolarHBondContact O-N 3.36Å; L416-L419 PolarHBondContact O-N 2.97Å; L416-V420 WeakPolarHBondContact O-CG2 3.36Å; L416-V420 PolarHBondContact O-N 2.86Å; L416-S444 WeakPolarHBondContact CD1-OG 3.4Å; L416-L445 HydrophobicContact CD1-CD2 3.86Å; L416-L445 HydrophobicContact CD1-CG 3.88Å; L416-L445 HydrophobicContact CD2-CD2 4.17Å; L416-Y458 HydrophobicContact CB-CE1 4.14Å; L416-Y458 HydrophobicContact CB-CE2 4.38Å; L416-Y458 HydrophobicContact CD2-CD1 3.54Å; L416-Y458 HydrophobicContact CD2-CD2 3.59Å; L416-Y458 HydrophobicContact CD2-CE1 3.63Å; L416-Y458 HydrophobicContact CD2-CE2 3.67Å; L416-Y458 HydrophobicContact CD2-CG 3.53Å; L416-Y458 HydrophobicContact CG-CE1 4.43Å; L416-F462 HydrophobicContact CD2-CE2 3.92Å |
| 417 | D | 79.3 | Confident | 78.3 | Confident | 70 Ų | 70 | 46 Ų | 46 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 177.4 | -66.4 | -33.1 | 0 | 0 | 0 | 111.8 | N415 V420 V421 Y458 | N415-D417 PolarHBondContact O-N 3.5Å; N415-D417 PolarHBondContact OD1-N 3.3Å; D417-V420 PolarHBondContact O-N 3.37Å; D417-V421 PolarHBondContact O-N 3.35Å; D417-Y458 PolarHBondContact OD1-OH 3.35Å |
| 418 | S | 76.7 | Confident | 78.2 | Confident | 37 Ų | 37 | 44.5 Ų | 44.5 | 26% | 0.259 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 174.9 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | E384 N415 L416 V420 V421 | E384-S418 WeakPolarHBondContact OE1-CB 3.21Å; E384-S418 PolarHBondContact OE1-OG 3.21Å; N415-S418 WeakPolarHBondContact O-CB 3.37Å; N415-S418 PolarHBondContact O-N 3.43Å; L416-S418 VanDerWaalsContact C-N 3.32Å; L416-S418 PolarHBondContact O-N 3.36Å; S418-V420 VanDerWaalsContact C-N 3.31Å; S418-V420 PolarHBondContact O-N 2.96Å; S418-V421 PolarHBondContact O-N 3.45Å |
| 419 | L | 79.7 | Confident | 77.9 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.2 | -30.1 | 177.9 | -69 | 174.4 | 0 | 0 | 0 | 112.8 | V414 N415 L416 V421 C422 Y437 L440 I441 | V414-L419 HydrophobicContact CB-CD1 4.17Å; V414-L419 HydrophobicContact CB-CD2 4.48Å; V414-L419 HydrophobicContact CB-CG 4.25Å; V414-L419 HydrophobicContact CG1-CD1 4.18Å; V414-L419 HydrophobicContact CG1-CD2 3.87Å; V414-L419 HydrophobicContact CG1-CG 3.71Å; N415-L419 PolarHBondContact O-N 2.91Å; L416-L419 PolarHBondContact O-N 2.97Å; L419-V421 VanDerWaalsContact C-N 3.3Å; L419-V421 PolarHBondContact O-N 2.92Å; L419-C422 CarbonylContact O-C 3.59Å; L419-C422 PolarHBondContact O-N 3.45Å; L419-C422 VanDerWaalsContact O-N 3.16Å; L419-Y437 HydrophobicContact CB-CE2 4.35Å; L419-Y437 HydrophobicContact CD2-CD2 4.41Å; L419-Y437 HydrophobicContact CD2-CE2 4.13Å; L419-Y437 PolarHBondContact O-OH 3.34Å; L419-L440 HydrophobicContact CD1-CB 4.28Å; L419-L440 HydrophobicContact CD2-CB 4.39Å; L419-I441 HydrophobicContact CD1-CG1 4Å |
| 420 | V | 80.4 | Confident | 78 | Confident | 34 Ų | 34 | 50 Ų | 50 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -33.4 | 174.8 | 165.1 | 0 | 0 | 0 | 0 | 111.6 | L416 D417 S418 C422 L423 Y458 L461 F462 | L416-V420 WeakPolarHBondContact O-CG2 3.36Å; L416-V420 PolarHBondContact O-N 2.86Å; D417-V420 PolarHBondContact O-N 3.37Å; S418-V420 VanDerWaalsContact C-N 3.31Å; S418-V420 PolarHBondContact O-N 2.96Å; V420-C422 PolarHBondContact O-N 3.03Å; V420-L423 WeakPolarHBondContact O-CB 3.1Å; V420-L423 PolarHBondContact O-N 3Å; V420-Y458 HydrophobicContact CG2-CD1 3.93Å; V420-Y458 HydrophobicContact CG2-CE1 3.88Å; V420-L461 HydrophobicContact CG1-CD1 3.73Å; V420-L461 HydrophobicContact CG2-CD1 4.31Å; V420-F462 HydrophobicContact CG2-CE2 3.92Å; V420-F462 HydrophobicContact CG2-CZ 3.68Å |
| 421 | V | 79.3 | Confident | 78.6 | Confident | 103 Ų | 103 | 47.5 Ų | 47.5 | 62% | 0.624 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.1 | -29.3 | 174.8 | -180 | 0 | 0 | 0 | 0 | 111.4 | D417 S418 L419 | D417-V421 PolarHBondContact O-N 3.35Å; S418-V421 PolarHBondContact O-N 3.45Å; L419-V421 VanDerWaalsContact C-N 3.3Å; L419-V421 PolarHBondContact O-N 2.92Å |
| 422 | C | 79.7 | Confident | 79.1 | Confident | 10 Ų | 10 | 44.6 Ų | 44.6 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 28 | -177 | -63.1 | 0 | 0 | 0 | 0 | 113.6 | C391 L419 V420 N424 L425 Y437 | C391-C422 HydrophobicContact CB-CB 4.08Å; C391-C422 WeakPolarHBondContact CB-SG 3.29Å; C391-C422 WeakPolarHBondContact SG-CB 3.38Å; C391-C422 CovalentContact SG-SG 2.05Å; C391-C422 PolarHBondContact SG-SG 3.15Å; L419-C422 CarbonylContact O-C 3.59Å; L419-C422 PolarHBondContact O-N 3.45Å; L419-C422 VanDerWaalsContact O-N 3.16Å; V420-C422 PolarHBondContact O-N 3.03Å; C422-N424 PolarHBondContact O-N 3.11Å; C422-N424 VanDerWaalsContact O-N 3.13Å; C422-L425 HydrophobicContact CB-CD1 3.82Å; C422-L425 HydrophobicContact CB-CG 4.23Å; C422-L425 VanDerWaalsContact O-CB 3.31Å; C422-L425 WeakPolarHBondContact O-CB 3.35Å; C422-L425 WeakPolarHBondContact O-CG 3.47Å; C422-L425 PolarHBondContact O-N 3.27Å; C422-Y437 HydrophobicContact CB-CE2 4.44Å |
| 423 | L | 80 | Confident | 79.6 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -61.2 | -22.4 | -178.3 | -133.7 | 160.6 | 0 | 0 | 0 | 113.9 | V420 L425 L426 Y437 L461 F462 | V420-L423 WeakPolarHBondContact O-CB 3.1Å; V420-L423 PolarHBondContact O-N 3Å; L423-L425 PolarHBondContact O-N 2.69Å; L423-L426 HydrophobicContact CD2-CD2 4.39Å; L423-L426 WeakPolarHBondContact O-CB 3.44Å; L423-L426 PolarHBondContact O-N 3.32Å; L423-Y437 WeakPolarHBondContact CA-OH 3.41Å; L423-L461 HydrophobicContact CD1-CB 4.26Å; L423-F462 HydrophobicContact CD1-CD1 4.19Å; L423-F462 HydrophobicContact CD1-CE1 3.94Å; L423-F462 HydrophobicContact CG-CD1 4.47Å; L423-F462 HydrophobicContact CG-CE1 4.08Å |
| 424 | N | 79.7 | Confident | 80.4 | Confident | 69 Ų | 69 | 41.8 Ų | 41.8 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -62.3 | -21.7 | 174.2 | -63.8 | -15.1 | 0 | 0 | 0 | 112.8 | C422 L426 E427 H428 | C422-N424 PolarHBondContact O-N 3.11Å; C422-N424 VanDerWaalsContact O-N 3.13Å; N424-L426 PolarHBondContact O-N 2.87Å; N424-L426 VanDerWaalsContact O-N 3.16Å; N424-E427 PolarHBondContact O-N 3.48Å; N424-H428 PolarHBondContact O-N 2.85Å |
| 425 | L | 83.7 | Confident | 81.2 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 7% | 0.068 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -63.9 | -18.9 | 176.4 | -64.5 | 178.7 | 0 | 0 | 0 | 113.2 | L387 V399 L403 C422 L423 E427 H428 I433 Y437 | L387-L425 HydrophobicContact CD2-CD1 4.38Å; V399-L425 HydrophobicContact CG1-CD1 4.32Å; V399-L425 HydrophobicContact CG1-CD2 3.95Å; L403-L425 HydrophobicContact CD1-CD1 4.36Å; L403-L425 HydrophobicContact CD2-CD1 4.36Å; C422-L425 HydrophobicContact CB-CD1 3.82Å; C422-L425 HydrophobicContact CB-CG 4.23Å; C422-L425 VanDerWaalsContact O-CB 3.31Å; C422-L425 WeakPolarHBondContact O-CB 3.35Å; C422-L425 WeakPolarHBondContact O-CG 3.47Å; C422-L425 PolarHBondContact O-N 3.27Å; L423-L425 PolarHBondContact O-N 2.69Å; L425-E427 PolarHBondContact O-N 3.4Å; L425-H428 VanDerWaalsContact O-CB 3.3Å; L425-H428 WeakPolarHBondContact O-CB 3.31Å; L425-H428 PolarHBondContact O-N 3.21Å; L425-I433 HydrophobicContact CB-CG2 4.39Å; L425-I433 HydrophobicContact CD2-CG2 4.1Å; L425-Y437 HydrophobicContact CB-CD1 4.26Å; L425-Y437 HydrophobicContact CB-CD2 4.02Å; L425-Y437 HydrophobicContact CB-CE2 4.45Å; L425-Y437 HydrophobicContact CB-CG 3.92Å; L425-Y437 HydrophobicContact CD1-CD2 3.93Å; L425-Y437 HydrophobicContact CD1-CE2 4.4Å |
| 426 | L | 81.3 | Confident | 81.8 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -69.4 | -22.9 | 173.3 | -167.5 | 64.5 | 0 | 0 | 0 | 112.4 | L423 N424 R434 Y437 L438 R465 L466 N469 | L423-L426 HydrophobicContact CD2-CD2 4.39Å; L423-L426 WeakPolarHBondContact O-CB 3.44Å; L423-L426 PolarHBondContact O-N 3.32Å; N424-L426 PolarHBondContact O-N 2.87Å; N424-L426 VanDerWaalsContact O-N 3.16Å; L426-R434 WeakPolarHBondContact O-CD 3.24Å; L426-Y437 HydrophobicContact CB-CD1 4.33Å; L426-Y437 HydrophobicContact CB-CE1 4.18Å; L426-Y437 HydrophobicContact CD1-CD1 4.46Å; L426-L438 HydrophobicContact CD1-CD1 4.12Å; L426-L438 HydrophobicContact CD1-CD2 3.62Å; L426-L438 HydrophobicContact CD1-CG 3.85Å; L426-R465 HydrophobicContact CD2-CB 4.2Å; L426-L466 HydrophobicContact CD1-CD2 4.43Å; L426-L466 HydrophobicContact CD2-CD2 4.08Å; L426-N469 HydrophobicContact CD2-CB 4.4Å; L426-N469 WeakPolarHBondContact CD2-ND2 3.48Å; L426-N469 HydrophobicContact CG-CB 4.38Å; L426-N469 VanDerWaalsContact CG-ND2 3.26Å; L426-N469 WeakPolarHBondContact CG-ND2 3.38Å |
| 427 | E | 79.1 | Confident | 82.3 | Confident | 122 Ų | 122 | 38.8 Ų | 38.8 | 57% | 0.57 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -104.5 | 7.7 | 178.8 | -65.8 | 172 | -159.2 | 0 | 0 | 111.9 | N424 L425 | N424-E427 PolarHBondContact O-N 3.48Å; L425-E427 PolarHBondContact O-N 3.4Å |
| 428 | H | 81.3 | Confident | 82.9 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.028 | 20% | 0.201 | C | C | . | . | trans | -61.8 | 145.2 | -179.2 | -169.7 | -83.3 | 0 | 0 | 0 | 111.5 | N424 L425 M430 I433 R434 | N424-H428 PolarHBondContact O-N 2.85Å; L425-H428 VanDerWaalsContact O-CB 3.3Å; L425-H428 WeakPolarHBondContact O-CB 3.31Å; L425-H428 PolarHBondContact O-N 3.21Å; H428-M430 PolarHBondContact ND1-N 3.46Å; H428-M430 PolarHBondContact O-N 2.96Å; H428-I433 HydrophobicContact CB-CB 4.46Å; H428-I433 HydrophobicContact CB-CG2 3.89Å; H428-I433 WeakPolarHBondContact CE1-CD1 3.44Å; H428-R434 HydrophobicContact CB-CG 4.35Å; H428-R434 VanDerWaalsContact O-CD 3.32Å; H428-R434 WeakPolarHBondContact O-CD 3.38Å; H428-R434 WeakPolarHBondContact O-CG 3.23Å; H428-R434 PolarHBondContact O-NH1 2.65Å | ||
| 429 | S | 77 | Confident | 83.5 | Confident | 95 Ų | 95 | 34.8 Ų | 34.8 | 66% | 0.664 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -60.6 | -42.1 | -176.7 | 59.8 | 0 | 0 | 0 | 0 | 113.9 | R434 | S429-R434 PolarHBondContact O-NH1 3.35Š|
| 430 | M | 81 | Confident | 83.8 | Confident | 60 Ų | 60 | 34.4 Ų | 34.4 | 30% | 0.296 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -76.9 | 124.3 | 177.2 | -62.3 | -153.1 | -69.8 | 0 | 0 | 113.1 | K400 H428 D432 I433 R434 | K400-M430 HydrophobicContact CB-CE 4.5Å; H428-M430 PolarHBondContact ND1-N 3.46Å; H428-M430 PolarHBondContact O-N 2.96Å; M430-D432 VanDerWaalsContact C-N 3.33Å; M430-D432 PolarHBondContact O-N 3.25Å; M430-I433 HydrophobicContact CB-CD1 4.31Å; M430-I433 HydrophobicContact CB-CG1 4.43Å; M430-I433 HydrophobicContact CE-CD1 3.44Å; M430-I433 VanDerWaalsContact CE-CD1 3.44Å; M430-I433 HydrophobicContact CE-CG1 4.18Å; M430-I433 PolarHBondContact O-N 2.86Å; M430-R434 PolarHBondContact O-N 2.88Å |
| 431 | S | 85.3 | Confident | 84.2 | Confident | 36 Ų | 36 | 32.8 Ų | 32.8 | 25% | 0.252 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.4 | -32 | 179 | 55.3 | 0 | 0 | 0 | 0 | 114 | I433 R434 S435 | S431-I433 VanDerWaalsContact C-N 3.33Å; S431-I433 PolarHBondContact O-N 3.11Å; S431-R434 PolarHBondContact O-N 3.34Å; S431-S435 VanDerWaalsContact O-CB 3.29Å; S431-S435 WeakPolarHBondContact O-CB 3.35Å; S431-S435 PolarHBondContact O-N 2.84Å |
| 432 | D | 83.2 | Confident | 84.6 | Confident | 74 Ų | 74 | 28.4 Ų | 28.4 | 40% | 0.396 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.8 | -41.6 | 175.7 | -72.2 | -23.1 | 0 | 0 | 0 | 112 | K400 M430 S435 L436 | K400-D432 HydrophobicContact CD-CB 4.18Å; K400-D432 WeakPolarHBondContact CE-OD2 3.43Å; K400-D432 IonicContact NZ-OD2 2.76Å; K400-D432 PolarHBondContact NZ-OD2 3.3Å; M430-D432 VanDerWaalsContact C-N 3.33Å; M430-D432 PolarHBondContact O-N 3.25Å; D432-S435 PolarHBondContact O-N 3.39Å; D432-L436 WeakPolarHBondContact O-CB 3.42Å; D432-L436 WeakPolarHBondContact O-CG 3.24Å; D432-L436 PolarHBondContact O-N 3Å |
| 433 | I | 85.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.3 | -47.7 | 178.3 | -73.7 | 174.2 | 0 | 0 | 0 | 109.9 | V399 K400 L403 L425 H428 M430 S431 S435 L436 Y437 | V399-I433 HydrophobicContact CB-CD1 4.23Å; V399-I433 HydrophobicContact CG1-CD1 4.31Å; V399-I433 HydrophobicContact CG1-CG2 4.27Å; K400-I433 HydrophobicContact CB-CD1 4.17Å; K400-I433 HydrophobicContact CB-CG1 3.88Å; L403-I433 HydrophobicContact CD1-CB 4.46Å; L403-I433 HydrophobicContact CD1-CG2 3.86Å; L425-I433 HydrophobicContact CB-CG2 4.39Å; L425-I433 HydrophobicContact CD2-CG2 4.1Å; H428-I433 HydrophobicContact CB-CB 4.46Å; H428-I433 HydrophobicContact CB-CG2 3.89Å; H428-I433 WeakPolarHBondContact CE1-CD1 3.44Å; M430-I433 HydrophobicContact CB-CD1 4.31Å; M430-I433 HydrophobicContact CB-CG1 4.43Å; M430-I433 HydrophobicContact CE-CD1 3.44Å; M430-I433 VanDerWaalsContact CE-CD1 3.44Å; M430-I433 HydrophobicContact CE-CG1 4.18Å; M430-I433 PolarHBondContact O-N 2.86Å; S431-I433 VanDerWaalsContact C-N 3.33Å; S431-I433 PolarHBondContact O-N 3.11Å; I433-S435 VanDerWaalsContact C-N 3.27Å; I433-S435 PolarHBondContact O-N 3.06Å; I433-L436 PolarHBondContact O-N 2.88Å; I433-Y437 VanDerWaalsContact O-CB 3.27Å; I433-Y437 WeakPolarHBondContact O-CB 3.28Å; I433-Y437 PolarHBondContact O-N 2.99Å |
| 434 | R | 88.7 | Confident | 85 | Confident | 30 Ų | 30 | 30 Ų | 30 | 11% | 0.113 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.8 | -44.7 | 174.9 | -59.1 | -166.8 | -63.5 | -96.2 | 7.9 | 111 | L426 H428 S429 M430 S431 L438 E473 V478 | L426-R434 WeakPolarHBondContact O-CD 3.24Å; H428-R434 HydrophobicContact CB-CG 4.35Å; H428-R434 VanDerWaalsContact O-CD 3.32Å; H428-R434 WeakPolarHBondContact O-CD 3.38Å; H428-R434 WeakPolarHBondContact O-CG 3.23Å; H428-R434 PolarHBondContact O-NH1 2.65Å; S429-R434 PolarHBondContact O-NH1 3.35Å; M430-R434 PolarHBondContact O-N 2.88Å; S431-R434 PolarHBondContact O-N 3.34Å; R434-L438 WeakPolarHBondContact O-CB 3.41Å; R434-L438 VanDerWaalsContact O-CG 3.25Å; R434-L438 WeakPolarHBondContact O-CG 3.28Å; R434-L438 PolarHBondContact O-N 3.23Å; R434-E473 IonicContact CZ-OE1 3Å; R434-E473 IonicContact CZ-OE2 3.76Å; R434-E473 VanDerWaalsContact CZ-OE2 3.26Å; R434-E473 IonicContact NE-OE1 2.94Å; R434-E473 IonicContact NE-OE2 2.87Å; R434-E473 PolarHBondContact NE-OE2 3.5Å; R434-E473 VanDerWaalsContact NH2-CD 3.31Å; R434-E473 IonicContact NH2-OE1 3.33Å; R434-E473 PolarHBondContact NH2-OE1 3.31Å; R434-E473 IonicContact NH2-OE2 3.43Å; R434-E473 PolarHBondContact NH2-OE2 3.06Å; R434-V478 HydrophobicContact CB-CG1 4.17Å; R434-V478 HydrophobicContact CB-CG2 4.42Å |
| 435 | S | 90.1 | Very high | 85.1 | Confident | 16 Ų | 16 | 26.8 Ų | 26.8 | 11% | 0.112 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.6 | -44.6 | 178.9 | -178.5 | 0 | 0 | 0 | 0 | 113.3 | S431 D432 I433 S439 K481 | S431-S435 VanDerWaalsContact O-CB 3.29Å; S431-S435 WeakPolarHBondContact O-CB 3.35Å; S431-S435 PolarHBondContact O-N 2.84Å; D432-S435 PolarHBondContact O-N 3.39Å; I433-S435 VanDerWaalsContact C-N 3.27Å; I433-S435 PolarHBondContact O-N 3.06Å; S435-S439 WeakPolarHBondContact O-CB 3.5Å; S435-S439 PolarHBondContact O-N 3.38Å; S435-K481 WeakPolarHBondContact O-CD 3.36Å; S435-K481 PolarHBondContact O-NZ 2.9Å; S435-K481 WeakPolarHBondContact OG-CD 3.43Å; S435-K481 WeakPolarHBondContact OG-CE 3.46Å; S435-K481 PolarHBondContact OG-NZ 3.42Å |
| 436 | L | 87.8 | Confident | 85.1 | Confident | 17 Ų | 17 | 33.1 Ų | 33.1 | 9% | 0.089 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.3 | -43.2 | 178.2 | -76.2 | 167 | 0 | 0 | 0 | 111.4 | K400 L403 H404 D407 D432 I433 L438 S439 L440 | K400-L436 HydrophobicContact CG-CD1 4.15Å; L403-L436 HydrophobicContact CB-CB 3.87Å; L403-L436 HydrophobicContact CB-CD1 4.22Å; L403-L436 HydrophobicContact CD1-CB 4.25Å; H404-L436 HydrophobicContact CB-CD1 4.21Å; H404-L436 HydrophobicContact CB-CD2 4.41Å; D407-L436 HydrophobicContact CB-CD2 4.17Å; D432-L436 WeakPolarHBondContact O-CB 3.42Å; D432-L436 WeakPolarHBondContact O-CG 3.24Å; D432-L436 PolarHBondContact O-N 3Å; I433-L436 PolarHBondContact O-N 2.88Å; L436-L438 PolarHBondContact O-N 3.06Å; L436-S439 WeakPolarHBondContact O-CA 3.47Å; L436-S439 WeakPolarHBondContact O-CB 3.2Å; L436-S439 PolarHBondContact O-N 3.2Å; L436-S439 VanDerWaalsContact O-N 3.11Å; L436-L440 PolarHBondContact O-N 3.2Å |
| 437 | Y | 89.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.1 | -48 | 175.2 | 177.6 | -109.8 | 0 | 0 | 0 | 111.7 | L419 C422 L423 L425 L426 I433 S439 L440 I441 | L419-Y437 HydrophobicContact CB-CE2 4.35Å; L419-Y437 HydrophobicContact CD2-CD2 4.41Å; L419-Y437 HydrophobicContact CD2-CE2 4.13Å; L419-Y437 PolarHBondContact O-OH 3.34Å; C422-Y437 HydrophobicContact CB-CE2 4.44Å; L423-Y437 WeakPolarHBondContact CA-OH 3.41Å; L425-Y437 HydrophobicContact CB-CD1 4.26Å; L425-Y437 HydrophobicContact CB-CD2 4.02Å; L425-Y437 HydrophobicContact CB-CE2 4.45Å; L425-Y437 HydrophobicContact CB-CG 3.92Å; L425-Y437 HydrophobicContact CD1-CD2 3.93Å; L425-Y437 HydrophobicContact CD1-CE2 4.4Å; L426-Y437 HydrophobicContact CB-CD1 4.33Å; L426-Y437 HydrophobicContact CB-CE1 4.18Å; L426-Y437 HydrophobicContact CD1-CD1 4.46Å; I433-Y437 VanDerWaalsContact O-CB 3.27Å; I433-Y437 WeakPolarHBondContact O-CB 3.28Å; I433-Y437 PolarHBondContact O-N 2.99Å; Y437-S439 VanDerWaalsContact C-N 3.31Å; Y437-S439 PolarHBondContact O-N 3.37Å; Y437-L440 PolarHBondContact O-N 3.31Å; Y437-I441 HydrophobicContact CD1-CD1 3.93Å; Y437-I441 HydrophobicContact CE1-CD1 3.4Å; Y437-I441 HydrophobicContact CE1-CG1 4.47Å; Y437-I441 HydrophobicContact CE2-CD1 4.21Å; Y437-I441 WeakPolarHBondContact O-CG1 3.48Å; Y437-I441 PolarHBondContact O-N 3.24Å; Y437-I441 VanDerWaalsContact O-N 3.13Å |
| 438 | L | 90.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.1 | -38.9 | 174.1 | -73 | 168.7 | 0 | 0 | 0 | 112.5 | L426 R434 L436 L440 I441 I442 L466 V478 K481 I482 L485 | L426-L438 HydrophobicContact CD1-CD1 4.12Å; L426-L438 HydrophobicContact CD1-CD2 3.62Å; L426-L438 HydrophobicContact CD1-CG 3.85Å; R434-L438 WeakPolarHBondContact O-CB 3.41Å; R434-L438 VanDerWaalsContact O-CG 3.25Å; R434-L438 WeakPolarHBondContact O-CG 3.28Å; R434-L438 PolarHBondContact O-N 3.23Å; L436-L438 PolarHBondContact O-N 3.06Å; L438-L440 VanDerWaalsContact C-N 3.33Å; L438-L440 PolarHBondContact O-N 3Å; L438-I441 PolarHBondContact O-N 3.3Å; L438-I442 WeakPolarHBondContact O-CD1 3.39Å; L438-I442 WeakPolarHBondContact O-CG1 3.41Å; L438-I442 PolarHBondContact O-N 2.9Å; L438-L466 HydrophobicContact CD2-CD2 3.77Å; L438-V478 HydrophobicContact CD1-CG1 3.69Å; L438-K481 HydrophobicContact CB-CB 4.05Å; L438-K481 HydrophobicContact CB-CD 4.31Å; L438-K481 HydrophobicContact CD1-CB 4.02Å; L438-I482 HydrophobicContact CD1-CD1 4.46Å; L438-I482 HydrophobicContact CD1-CG1 3.6Å; L438-I482 HydrophobicContact CD2-CG1 4.29Å; L438-L485 HydrophobicContact CD2-CD2 3.54Å |
| 439 | S | 89.8 | Confident | 83.6 | Confident | 23 Ų | 23 | 39 Ų | 39 | 16% | 0.161 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.7 | -48.5 | 175.2 | -141.2 | 0 | 0 | 0 | 0 | 111.6 | D407 S435 L436 Y437 I441 I442 K443 K481 | D407-S439 VanDerWaalsContact OD1-CB 3.25Å; D407-S439 WeakPolarHBondContact OD1-CB 3.27Å; D407-S439 PolarHBondContact OD1-OG 3.12Å; D407-S439 VanDerWaalsContact OD1-OG 3.08Å; D407-S439 WeakPolarHBondContact OD2-CB 3.43Å; D407-S439 PolarHBondContact OD2-OG 3.38Å; S435-S439 WeakPolarHBondContact O-CB 3.5Å; S435-S439 PolarHBondContact O-N 3.38Å; L436-S439 WeakPolarHBondContact O-CA 3.47Å; L436-S439 WeakPolarHBondContact O-CB 3.2Å; L436-S439 PolarHBondContact O-N 3.2Å; L436-S439 VanDerWaalsContact O-N 3.11Å; Y437-S439 VanDerWaalsContact C-N 3.31Å; Y437-S439 PolarHBondContact O-N 3.37Å; S439-I441 PolarHBondContact O-N 3.42Å; S439-I442 PolarHBondContact O-N 3.08Å; S439-K443 WeakPolarHBondContact O-CB 3.31Å; S439-K443 PolarHBondContact O-N 3.09Å; S439-K481 PolarHBondContact OG-NZ 3.21Å |
| 440 | L | 86.9 | Confident | 83 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.5 | -42 | -179.6 | -75.4 | 166.7 | 0 | 0 | 0 | 112.2 | L403 L406 D407 V414 L419 L436 Y437 L438 K443 S444 | L403-L440 HydrophobicContact CB-CD1 4.16Å; L403-L440 HydrophobicContact CD2-CD1 3.49Å; L403-L440 VanDerWaalsContact CD2-CD1 3.49Å; L403-L440 HydrophobicContact CG-CD1 4.41Å; L406-L440 HydrophobicContact CB-CD1 4.16Å; L406-L440 HydrophobicContact CB-CD2 3.67Å; D407-L440 HydrophobicContact CB-CD2 4.05Å; D407-L440 HydrophobicContact CB-CG 4.2Å; V414-L440 HydrophobicContact CG2-CD2 4.08Å; L419-L440 HydrophobicContact CD1-CB 4.28Å; L419-L440 HydrophobicContact CD2-CB 4.39Å; L436-L440 PolarHBondContact O-N 3.2Å; Y437-L440 PolarHBondContact O-N 3.31Å; L438-L440 VanDerWaalsContact C-N 3.33Å; L438-L440 PolarHBondContact O-N 3Å; L440-K443 PolarHBondContact O-N 3.21Å; L440-S444 WeakPolarHBondContact O-CB 3.16Å; L440-S444 PolarHBondContact O-N 2.9Å |
| 441 | I | 87.3 | Confident | 82.4 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -47.4 | 175.3 | -61.2 | 166.9 | 0 | 0 | 0 | 110.2 | L419 Y437 L438 S439 K443 S444 L445 F462 L485 | L419-I441 HydrophobicContact CD1-CG1 4Å; Y437-I441 HydrophobicContact CD1-CD1 3.93Å; Y437-I441 HydrophobicContact CE1-CD1 3.4Å; Y437-I441 HydrophobicContact CE1-CG1 4.47Å; Y437-I441 HydrophobicContact CE2-CD1 4.21Å; Y437-I441 WeakPolarHBondContact O-CG1 3.48Å; Y437-I441 PolarHBondContact O-N 3.24Å; Y437-I441 VanDerWaalsContact O-N 3.13Å; L438-I441 PolarHBondContact O-N 3.3Å; S439-I441 PolarHBondContact O-N 3.42Å; I441-K443 VanDerWaalsContact C-N 3.28Å; I441-K443 PolarHBondContact O-N 3.12Å; I441-S444 PolarHBondContact O-N 3.25Å; I441-L445 HydrophobicContact CG2-CD1 3.88Å; I441-L445 HydrophobicContact CG2-CG 4.33Å; I441-L445 WeakPolarHBondContact O-CB 3.45Å; I441-L445 WeakPolarHBondContact O-CG 3.48Å; I441-L445 PolarHBondContact O-N 2.89Å; I441-F462 HydrophobicContact CD1-CD1 4.45Å; I441-F462 HydrophobicContact CD1-CE1 3.76Å; I441-F462 HydrophobicContact CD1-CZ 4.26Å; I441-L485 HydrophobicContact CB-CD1 4.38Å; I441-L485 HydrophobicContact CB-CD2 4.26Å; I441-L485 HydrophobicContact CD1-CD2 4.37Å; I441-L485 HydrophobicContact CG2-CD1 3.6Å; I441-L485 HydrophobicContact CG2-CD2 3.94Å; I441-L485 HydrophobicContact CG2-CG 4.46Å |
| 442 | I | 88.5 | Confident | 81.4 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 178.4 | -69.4 | 164.9 | 0 | 0 | 0 | 110.5 | L438 S439 K446 K481 Q484 L485 L488 | L438-I442 WeakPolarHBondContact O-CD1 3.39Å; L438-I442 WeakPolarHBondContact O-CG1 3.41Å; L438-I442 PolarHBondContact O-N 2.9Å; S439-I442 PolarHBondContact O-N 3.08Å; I442-K446 HydrophobicContact CG2-CD 4.25Å; I442-K446 WeakPolarHBondContact O-CG 3.37Å; I442-K446 PolarHBondContact O-N 3.26Å; I442-K446 VanDerWaalsContact O-N 3.12Å; I442-K481 HydrophobicContact CD1-CB 4.34Å; I442-Q484 HydrophobicContact CD1-CB 4.03Å; I442-L485 HydrophobicContact CD1-CB 4.06Å; I442-L485 HydrophobicContact CG1-CB 3.71Å; I442-L485 HydrophobicContact CG1-CD1 3.95Å; I442-L485 HydrophobicContact CG1-CG 4.33Å; I442-L488 HydrophobicContact CG2-CD2 4.22Å; I442-L488 WeakPolarHBondContact O-CD2 3.41Å |
| 443 | K | 85.7 | Confident | 80.9 | Confident | 46 Ų | 46 | 46.5 Ų | 46.5 | 20% | 0.2 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 179 | -176.7 | 179.1 | 175.4 | -175.4 | 0 | 111.7 | L406 D407 C409 S439 L440 I441 K446 S447 | L406-K443 PolarHBondContact O-NZ 3.25Å; L406-K443 VanDerWaalsContact O-NZ 3.09Å; D407-K443 PolarHBondContact O-NZ 3.35Å; C409-K443 VanDerWaalsContact C-NZ 3.33Å; C409-K443 PolarHBondContact O-NZ 3.41Å; S439-K443 WeakPolarHBondContact O-CB 3.31Å; S439-K443 PolarHBondContact O-N 3.09Å; L440-K443 PolarHBondContact O-N 3.21Å; I441-K443 VanDerWaalsContact C-N 3.28Å; I441-K443 PolarHBondContact O-N 3.12Å; K443-K446 PolarHBondContact O-N 3.34Å; K443-S447 PolarHBondContact O-N 3.4Å |
| 444 | S | 83.2 | Confident | 80.4 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.9 | -40 | 178.8 | -170.4 | 0 | 0 | 0 | 0 | 112.6 | V414 L416 L440 I441 K446 S447 V448 | V414-S444 WeakPolarHBondContact O-CB 3.39Å; V414-S444 PolarHBondContact O-OG 3.01Å; L416-S444 WeakPolarHBondContact CD1-OG 3.4Å; L440-S444 WeakPolarHBondContact O-CB 3.16Å; L440-S444 PolarHBondContact O-N 2.9Å; I441-S444 PolarHBondContact O-N 3.25Å; S444-K446 VanDerWaalsContact C-N 3.28Å; S444-K446 PolarHBondContact O-N 2.83Å; S444-S447 PolarHBondContact O-N 3.35Å; S444-S447 PolarHBondContact O-OG 3.26Å; S444-V448 PolarHBondContact O-N 2.86Å |
| 445 | L | 82.1 | Confident | 79.9 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.4 | -25.6 | 174.8 | -77 | 172 | 0 | 0 | 0 | 113.8 | L416 I441 L450 L485 L488 L489 N492 | L416-L445 HydrophobicContact CD1-CD2 3.86Å; L416-L445 HydrophobicContact CD1-CG 3.88Å; L416-L445 HydrophobicContact CD2-CD2 4.17Å; I441-L445 HydrophobicContact CG2-CD1 3.88Å; I441-L445 HydrophobicContact CG2-CG 4.33Å; I441-L445 WeakPolarHBondContact O-CB 3.45Å; I441-L445 WeakPolarHBondContact O-CG 3.48Å; I441-L445 PolarHBondContact O-N 2.89Å; L445-L450 HydrophobicContact CD2-CD1 3.77Å; L445-L485 HydrophobicContact CD1-CD1 3.35Å; L445-L488 HydrophobicContact CB-CD2 3.46Å; L445-L488 VanDerWaalsContact CB-CD2 3.46Å; L445-L488 HydrophobicContact CB-CG 4.21Å; L445-L488 HydrophobicContact CD1-CD2 4.24Å; L445-L489 HydrophobicContact CD1-CD2 3.63Å; L445-L489 HydrophobicContact CD1-CG 4.14Å; L445-L489 HydrophobicContact CD2-CD2 4.39Å; L445-N492 PolarHBondContact O-ND2 3.26Å |
| 446 | K | 82.2 | Confident | 79.4 | Confident | 146 Ų | 146 | 52.3 Ų | 52.3 | 64% | 0.635 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -76.8 | -25.2 | 175.5 | -77.7 | 176.2 | -178.5 | 176.1 | 0 | 112.7 | I442 K443 S444 L488 | I442-K446 HydrophobicContact CG2-CD 4.25Å; I442-K446 WeakPolarHBondContact O-CG 3.37Å; I442-K446 PolarHBondContact O-N 3.26Å; I442-K446 VanDerWaalsContact O-N 3.12Å; K443-K446 PolarHBondContact O-N 3.34Å; S444-K446 VanDerWaalsContact C-N 3.28Å; S444-K446 PolarHBondContact O-N 2.83Å; K446-L488 HydrophobicContact CG-CD1 4.14Å; K446-L488 HydrophobicContact CG-CD2 3.81Å |
| 447 | S | 73.9 | Confident | 79.1 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -92.4 | -22.6 | -176.2 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | T413 K443 S444 | T413-S447 WeakPolarHBondContact CG2-OG 3.48Å; K443-S447 PolarHBondContact O-N 3.4Å; S444-S447 PolarHBondContact O-N 3.35Å; S444-S447 PolarHBondContact O-OG 3.26Å |
| 448 | V | 70.7 | Confident | 78.8 | Confident | 70 Ų | 70 | 55.5 Ų | 55.5 | 42% | 0.424 | 30% | 0.302 | S | S | . | . | trans | -108.4 | 128.1 | -173.4 | -174.9 | 0 | 0 | 0 | 0 | 111.8 | S444 L450 | S444-V448 PolarHBondContact O-N 2.86Å; V448-L450 HydrophobicContact CB-CD1 4.25Å; V448-L450 HydrophobicContact CB-CG 4.47Å; V448-L450 HydrophobicContact CG1-CD1 4.27Å; V448-L450 HydrophobicContact CG1-CG 3.95Å; V448-L450 PolarHBondContact O-N 3.28Å | ||
| 449 | S | 66.2 | Low | 78.5 | Confident | 122 Ų | 122 | 55.5 Ų | 55.5 | 85% | 0.853 | 30% | 0.302 | S | S | * | . | trans | -82.5 | 100.9 | 162.8 | 58.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 450 | L | 64.5 | Low | 78.1 | Confident | 48 Ų | 48 | 57.1 Ų | 57.1 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | trans | -79.4 | 143.1 | -174.8 | -73.4 | 111.7 | 0 | 0 | 0 | 113.1 | L445 V448 M455 Y458 | L445-L450 HydrophobicContact CD2-CD1 3.77Å; V448-L450 HydrophobicContact CB-CD1 4.25Å; V448-L450 HydrophobicContact CB-CG 4.47Å; V448-L450 HydrophobicContact CG1-CD1 4.27Å; V448-L450 HydrophobicContact CG1-CG 3.95Å; V448-L450 PolarHBondContact O-N 3.28Å; L450-M455 HydrophobicContact CB-SD 4.47Å; L450-M455 HydrophobicContact CD1-SD 4.49Å; L450-Y458 HydrophobicContact CD2-CD2 3.55Å; L450-Y458 HydrophobicContact CD2-CE2 3.21Å | ||
| 451 | E | 68.7 | Low | 78 | Confident | 139 Ų | 139 | 59.6 Ų | 59.6 | 65% | 0.65 | 33% | 0.326 | S | S | * | . | trans | -68.3 | 146.2 | 168.2 | -66.6 | 176.4 | 170.9 | 0 | 0 | 111 | E453 K454 M455 | E451-E453 VanDerWaalsContact C-N 3.31Å; E451-E453 PolarHBondContact O-N 3.43Å; E451-K454 PolarHBondContact O-N 3.43Å; E451-M455 PolarHBondContact O-N 3.4Å; E451-M455 VanDerWaalsContact O-N 3.12Å | ||
| 452 | S | 64.5 | Low | 77.9 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 51% | 0.51 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.2 | -38.2 | -174 | -168.7 | 0 | 0 | 0 | 0 | 113.5 | M455 V456 | S452-M455 PolarHBondContact O-N 3.21Å; S452-V456 WeakPolarHBondContact O-CG2 3.44Å; S452-V456 PolarHBondContact O-N 3Å |
| 453 | E | 71.5 | Confident | 77.9 | Confident | 163 Ų | 163 | 59.1 Ų | 59.1 | 76% | 0.762 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67 | -44.3 | -179.5 | -74.2 | -171.2 | 168.3 | 0 | 0 | 112.6 | E451 M455 V456 T457 | E451-E453 VanDerWaalsContact C-N 3.31Å; E451-E453 PolarHBondContact O-N 3.43Å; E453-M455 VanDerWaalsContact C-N 3.28Å; E453-M455 PolarHBondContact O-N 2.56Å; E453-V456 PolarHBondContact O-N 3.04Å; E453-T457 PolarHBondContact O-N 3.25Å; E453-T457 PolarHBondContact O-OG1 3.4Å |
| 454 | K | 76.1 | Confident | 77.9 | Confident | 100 Ų | 100 | 58.3 Ų | 58.3 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.8 | -37 | 176.7 | -70.2 | -166.2 | 177.6 | -166.2 | 0 | 111.4 | E451 V456 T457 Y458 | E451-K454 PolarHBondContact O-N 3.43Å; K454-V456 VanDerWaalsContact C-N 3.32Å; K454-V456 PolarHBondContact O-N 3.27Å; K454-T457 WeakPolarHBondContact O-CB 3.34Å; K454-T457 PolarHBondContact O-N 3.34Å; K454-T457 VanDerWaalsContact O-N 3.16Å; K454-Y458 HydrophobicContact CB-CD2 4.45Å; K454-Y458 HydrophobicContact CB-CE2 3.93Å; K454-Y458 WeakPolarHBondContact O-CD2 3.42Å; K454-Y458 PolarHBondContact O-N 2.84Å |
| 455 | M | 78.1 | Confident | 78 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 3% | 0.034 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 178.9 | -162.7 | 59.4 | -119.9 | 0 | 0 | 112 | L450 E451 S452 E453 T457 Y458 L459 L489 T493 | L450-M455 HydrophobicContact CB-SD 4.47Å; L450-M455 HydrophobicContact CD1-SD 4.49Å; E451-M455 PolarHBondContact O-N 3.4Å; E451-M455 VanDerWaalsContact O-N 3.12Å; S452-M455 PolarHBondContact O-N 3.21Å; E453-M455 VanDerWaalsContact C-N 3.28Å; E453-M455 PolarHBondContact O-N 2.56Å; M455-T457 VanDerWaalsContact C-N 3.31Å; M455-T457 PolarHBondContact O-N 2.96Å; M455-Y458 PolarHBondContact O-N 3.35Å; M455-L459 HydrophobicContact CE-CD1 4.46Å; M455-L459 HydrophobicContact CE-CD2 3.88Å; M455-L459 HydrophobicContact CE-CG 3.71Å; M455-L459 HydrophobicContact CG-CD1 4.38Å; M455-L459 VanDerWaalsContact O-CG 3.26Å; M455-L459 WeakPolarHBondContact O-CG 3.43Å; M455-L459 PolarHBondContact O-N 2.91Å; M455-L489 HydrophobicContact CE-CD2 3.57Å; M455-T493 HydrophobicContact CG-CG2 4.46Å |
| 456 | V | 79 | Confident | 78.3 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 37% | 0.37 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58 | -44.6 | 173.9 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | S452 E453 K454 Y458 L459 S460 V497 | S452-V456 WeakPolarHBondContact O-CG2 3.44Å; S452-V456 PolarHBondContact O-N 3Å; E453-V456 PolarHBondContact O-N 3.04Å; K454-V456 VanDerWaalsContact C-N 3.32Å; K454-V456 PolarHBondContact O-N 3.27Å; V456-Y458 PolarHBondContact O-N 2.98Å; V456-L459 PolarHBondContact O-N 3.19Å; V456-S460 PolarHBondContact O-N 2.99Å; V456-V497 HydrophobicContact CG2-CG1 3.4Å; V456-V497 VanDerWaalsContact CG2-CG1 3.4Å |
| 457 | T | 81.8 | Confident | 78.6 | Confident | 76 Ų | 76 | 55.3 Ų | 55.3 | 47% | 0.466 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 176.7 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | E453 K454 M455 L459 S460 L461 | E453-T457 PolarHBondContact O-N 3.25Å; E453-T457 PolarHBondContact O-OG1 3.4Å; K454-T457 WeakPolarHBondContact O-CB 3.34Å; K454-T457 PolarHBondContact O-N 3.34Å; K454-T457 VanDerWaalsContact O-N 3.16Å; M455-T457 VanDerWaalsContact C-N 3.31Å; M455-T457 PolarHBondContact O-N 2.96Å; T457-L459 PolarHBondContact O-N 2.8Å; T457-S460 PolarHBondContact O-N 3.29Å; T457-S460 PolarHBondContact O-OG 2.82Å; T457-L461 HydrophobicContact CG2-CD1 4.15Å; T457-L461 WeakPolarHBondContact O-CG 3.48Å; T457-L461 PolarHBondContact O-N 3.49Å |
| 458 | Y | 83.8 | Confident | 79.2 | Confident | 8 Ų | 8 | 53.4 Ų | 53.4 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 178.6 | -61.7 | -47.6 | 0 | 0 | 0 | 113.1 | L416 D417 V420 L450 K454 M455 V456 S460 L461 F462 | L416-Y458 HydrophobicContact CB-CE1 4.14Å; L416-Y458 HydrophobicContact CB-CE2 4.38Å; L416-Y458 HydrophobicContact CD2-CD1 3.54Å; L416-Y458 HydrophobicContact CD2-CD2 3.59Å; L416-Y458 HydrophobicContact CD2-CE1 3.63Å; L416-Y458 HydrophobicContact CD2-CE2 3.67Å; L416-Y458 HydrophobicContact CD2-CG 3.53Å; L416-Y458 HydrophobicContact CG-CE1 4.43Å; D417-Y458 PolarHBondContact OD1-OH 3.35Å; V420-Y458 HydrophobicContact CG2-CD1 3.93Å; V420-Y458 HydrophobicContact CG2-CE1 3.88Å; L450-Y458 HydrophobicContact CD2-CD2 3.55Å; L450-Y458 HydrophobicContact CD2-CE2 3.21Å; K454-Y458 HydrophobicContact CB-CD2 4.45Å; K454-Y458 HydrophobicContact CB-CE2 3.93Å; K454-Y458 WeakPolarHBondContact O-CD2 3.42Å; K454-Y458 PolarHBondContact O-N 2.84Å; M455-Y458 PolarHBondContact O-N 3.35Å; V456-Y458 PolarHBondContact O-N 2.98Å; Y458-S460 VanDerWaalsContact C-N 3.32Å; Y458-S460 PolarHBondContact O-N 3.26Å; Y458-L461 PolarHBondContact O-N 2.91Å; Y458-F462 HydrophobicContact CD1-CE2 4.1Å; Y458-F462 HydrophobicContact CG-CE2 4.44Å; Y458-F462 WeakPolarHBondContact O-CB 3.26Å; Y458-F462 VanDerWaalsContact O-CD2 3.28Å; Y458-F462 WeakPolarHBondContact O-CD2 3.25Å; Y458-F462 PolarHBondContact O-N 2.86Å |
| 459 | L | 83 | Confident | 80 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 173.3 | -70.6 | 166.3 | 0 | 0 | 0 | 111 | M455 V456 T457 L461 M463 L489 T493 L498 F501 | M455-L459 HydrophobicContact CE-CD1 4.46Å; M455-L459 HydrophobicContact CE-CD2 3.88Å; M455-L459 HydrophobicContact CE-CG 3.71Å; M455-L459 HydrophobicContact CG-CD1 4.38Å; M455-L459 VanDerWaalsContact O-CG 3.26Å; M455-L459 WeakPolarHBondContact O-CG 3.43Å; M455-L459 PolarHBondContact O-N 2.91Å; V456-L459 PolarHBondContact O-N 3.19Å; T457-L459 PolarHBondContact O-N 2.8Å; L459-L461 PolarHBondContact O-N 3.35Å; L459-M463 HydrophobicContact CD2-CE 3.88Å; L459-M463 HydrophobicContact CD2-CG 3.95Å; L459-M463 WeakPolarHBondContact O-CB 3.42Å; L459-M463 PolarHBondContact O-N 3.21Å; L459-M463 VanDerWaalsContact O-N 3.12Å; L459-L489 HydrophobicContact CD2-CB 4.44Å; L459-T493 HydrophobicContact CD1-CG2 3.5Å; L459-T493 VanDerWaalsContact CD1-CG2 3.5Å; L459-L498 HydrophobicContact CD2-CD1 4.32Å; L459-F501 HydrophobicContact CB-CD1 4.32Å; L459-F501 HydrophobicContact CB-CE1 4.35Å |
| 460 | S | 82.8 | Confident | 81.1 | Confident | 58 Ų | 58 | 45.4 Ų | 45.4 | 41% | 0.406 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.5 | -30.1 | 179.3 | 78 | 0 | 0 | 0 | 0 | 113.6 | V456 T457 Y458 | V456-S460 PolarHBondContact O-N 2.99Å; T457-S460 PolarHBondContact O-N 3.29Å; T457-S460 PolarHBondContact O-OG 2.82Å; Y458-S460 VanDerWaalsContact C-N 3.32Å; Y458-S460 PolarHBondContact O-N 3.26Å |
| 461 | L | 83.6 | Confident | 82.3 | Confident | 54 Ų | 54 | 43.1 Ų | 43.1 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -87.2 | -48.8 | -179.6 | -68.7 | 167.8 | 0 | 0 | 0 | 113 | V420 L423 T457 Y458 L459 | V420-L461 HydrophobicContact CG1-CD1 3.73Å; V420-L461 HydrophobicContact CG2-CD1 4.31Å; L423-L461 HydrophobicContact CD1-CB 4.26Å; T457-L461 HydrophobicContact CG2-CD1 4.15Å; T457-L461 WeakPolarHBondContact O-CG 3.48Å; T457-L461 PolarHBondContact O-N 3.49Å; Y458-L461 PolarHBondContact O-N 2.91Å; L459-L461 PolarHBondContact O-N 3.35Å |
| 462 | F | 86.8 | Confident | 83.1 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -85.3 | -44.9 | -170.7 | -69.8 | -62.8 | 0 | 0 | 0 | 113.4 | L416 V420 L423 I441 Y458 R465 L466 L489 | L416-F462 HydrophobicContact CD2-CE2 3.92Å; V420-F462 HydrophobicContact CG2-CE2 3.92Å; V420-F462 HydrophobicContact CG2-CZ 3.68Å; L423-F462 HydrophobicContact CD1-CD1 4.19Å; L423-F462 HydrophobicContact CD1-CE1 3.94Å; L423-F462 HydrophobicContact CG-CD1 4.47Å; L423-F462 HydrophobicContact CG-CE1 4.08Å; I441-F462 HydrophobicContact CD1-CD1 4.45Å; I441-F462 HydrophobicContact CD1-CE1 3.76Å; I441-F462 HydrophobicContact CD1-CZ 4.26Å; Y458-F462 HydrophobicContact CD1-CE2 4.1Å; Y458-F462 HydrophobicContact CG-CE2 4.44Å; Y458-F462 WeakPolarHBondContact O-CB 3.26Å; Y458-F462 VanDerWaalsContact O-CD2 3.28Å; Y458-F462 WeakPolarHBondContact O-CD2 3.25Å; Y458-F462 PolarHBondContact O-N 2.86Å; F462-R465 PolarHBondContact O-N 3.07Å; F462-L466 HydrophobicContact CB-CD1 4.04Å; F462-L466 HydrophobicContact CB-CG 4.45Å; F462-L466 WeakPolarHBondContact O-CB 3.33Å; F462-L466 VanDerWaalsContact O-CG 3.24Å; F462-L466 WeakPolarHBondContact O-CG 3.34Å; F462-L466 PolarHBondContact O-N 3.1Å; F462-L489 HydrophobicContact CB-CD1 4.18Å |
| 463 | M | 87.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.8 | -50.2 | -171.7 | -77.4 | -83.6 | -150.8 | 0 | 0 | 112.9 | L459 R465 L466 F467 W486 L489 I490 L498 F501 W509 L566 | L459-M463 HydrophobicContact CD2-CE 3.88Å; L459-M463 HydrophobicContact CD2-CG 3.95Å; L459-M463 WeakPolarHBondContact O-CB 3.42Å; L459-M463 PolarHBondContact O-N 3.21Å; L459-M463 VanDerWaalsContact O-N 3.12Å; M463-R465 VanDerWaalsContact C-N 3.33Å; M463-R465 PolarHBondContact O-N 3.05Å; M463-L466 PolarHBondContact O-N 3.47Å; M463-F467 PolarHBondContact O-N 2.98Å; M463-F467 VanDerWaalsContact O-N 3.1Å; M463-W486 HydrophobicContact CB-CH2 4.36Å; M463-W486 HydrophobicContact CB-CZ3 4.17Å; M463-W486 HydrophobicContact CG-CZ3 4.35Å; M463-W486 VanDerWaalsContact O-CZ3 3.23Å; M463-W486 WeakPolarHBondContact O-CZ3 3.49Å; M463-W486 HydrophobicContact SD-CD2 3.77Å; M463-W486 HydrophobicContact SD-CE3 3.51Å; M463-W486 VanDerWaalsContact SD-CE3 3.51Å; M463-W486 HydrophobicContact SD-CH2 3.39Å; M463-W486 WeakPolarHBondContact SD-CH2 3.48Å; M463-W486 HydrophobicContact SD-CZ2 3.68Å; M463-W486 HydrophobicContact SD-CZ3 3.32Å; M463-W486 WeakPolarHBondContact SD-CZ3 3.49Å; M463-L489 HydrophobicContact CE-CB 4.37Å; M463-I490 HydrophobicContact CE-CG1 3.8Å; M463-L498 HydrophobicContact CE-CD1 3.78Å; M463-F501 HydrophobicContact CB-CE1 4Å; M463-F501 HydrophobicContact CG-CE1 4.36Å; M463-W509 HydrophobicContact CB-CH2 4.18Å; M463-W509 HydrophobicContact CB-CZ2 4.47Å; M463-L566 HydrophobicContact CE-CD2 4.07Å |
| 464 | P | 85.6 | Confident | 84.9 | Confident | 30 Ų | 30 | 31.2 Ų | 31.2 | 20% | 0.195 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.7 | -45.1 | 178.6 | -23.3 | 34.8 | 0 | 0 | 0 | 112.2 | F467 I468 F501 | P464-F467 PolarHBondContact O-N 2.82Å; P464-I468 WeakPolarHBondContact O-CD1 3.21Å; P464-I468 WeakPolarHBondContact O-CG1 3.32Å; P464-I468 PolarHBondContact O-N 2.88Å; P464-I468 VanDerWaalsContact O-N 3.16Å; P464-F501 HydrophobicContact CG-CZ 4.47Å |
| 465 | R | 84.8 | Confident | 85.4 | Confident | 86 Ų | 86 | 30.5 Ų | 30.5 | 33% | 0.325 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.9 | -38.3 | -177.6 | -65.8 | -173.6 | -176.2 | -157.4 | 10.1 | 112.9 | L426 F462 M463 I468 N469 | L426-R465 HydrophobicContact CD2-CB 4.2Å; F462-R465 PolarHBondContact O-N 3.07Å; M463-R465 VanDerWaalsContact C-N 3.33Å; M463-R465 PolarHBondContact O-N 3.05Å; R465-I468 PolarHBondContact O-N 2.91Å; R465-N469 VanDerWaalsContact O-CB 3.26Å; R465-N469 WeakPolarHBondContact O-CB 3.37Å; R465-N469 PolarHBondContact O-N 3.45Å; R465-N469 PolarHBondContact O-ND2 3.09Å; R465-N469 VanDerWaalsContact O-ND2 3.09Å |
| 466 | L | 89.6 | Confident | 85.7 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65 | -40.7 | 176.8 | -71.4 | 174.6 | 0 | 0 | 0 | 111.7 | L426 L438 F462 M463 N470 I482 L485 W486 L489 | L426-L466 HydrophobicContact CD1-CD2 4.43Å; L426-L466 HydrophobicContact CD2-CD2 4.08Å; L438-L466 HydrophobicContact CD2-CD2 3.77Å; F462-L466 HydrophobicContact CB-CD1 4.04Å; F462-L466 HydrophobicContact CB-CG 4.45Å; F462-L466 WeakPolarHBondContact O-CB 3.33Å; F462-L466 VanDerWaalsContact O-CG 3.24Å; F462-L466 WeakPolarHBondContact O-CG 3.34Å; F462-L466 PolarHBondContact O-N 3.1Å; M463-L466 PolarHBondContact O-N 3.47Å; L466-N470 VanDerWaalsContact O-CB 3.31Å; L466-N470 WeakPolarHBondContact O-CB 3.47Å; L466-N470 PolarHBondContact O-N 2.69Å; L466-I482 HydrophobicContact CB-CG2 4.09Å; L466-I482 HydrophobicContact CD2-CG1 4.36Å; L466-I482 HydrophobicContact CD2-CG2 4.14Å; L466-L485 HydrophobicContact CD1-CD2 3.73Å; L466-L485 HydrophobicContact CD1-CG 3.83Å; L466-L485 HydrophobicContact CD2-CD2 3.78Å; L466-L485 HydrophobicContact CG-CD2 4.39Å; L466-W486 HydrophobicContact CB-CE3 3.9Å; L466-W486 HydrophobicContact CB-CZ3 4.03Å; L466-W486 HydrophobicContact CD1-CE3 4.38Å; L466-L489 HydrophobicContact CD1-CD1 3.65Å |
| 467 | F | 89 | Confident | 86.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 177.3 | -170.6 | -94.2 | 0 | 0 | 0 | 111.6 | M463 P464 N470 L471 W486 W509 T512 A559 L562 L563 | M463-F467 PolarHBondContact O-N 2.98Å; M463-F467 VanDerWaalsContact O-N 3.1Å; P464-F467 PolarHBondContact O-N 2.82Å; F467-N470 PolarHBondContact O-N 3.15Å; F467-L471 HydrophobicContact CD1-CD1 4.03Å; F467-L471 HydrophobicContact CE1-CD1 3.68Å; F467-L471 HydrophobicContact CE1-CG 4.45Å; F467-L471 HydrophobicContact CZ-CD1 4.5Å; F467-L471 PolarHBondContact O-N 3.32Å; F467-W486 HydrophobicContact CB-CH2 3.91Å; F467-W486 HydrophobicContact CB-CZ3 3.96Å; F467-W486 HydrophobicContact CD2-CH2 4.03Å; F467-W486 HydrophobicContact CD2-CZ2 4.37Å; F467-W486 HydrophobicContact CG-CH2 4.41Å; F467-W509 HydrophobicContact CD1-CB 4.15Å; F467-W509 AromaticContact CD1-CD1 3.39Å; F467-W509 HydrophobicContact CD1-CD2 4.37Å; F467-W509 AromaticContact CD1-CG 3.74Å; F467-W509 HydrophobicContact CD1-CG 3.74Å; F467-W509 AromaticContact CD1-NE1 3.84Å; F467-W509 HydrophobicContact CD2-CD2 4.38Å; F467-W509 HydrophobicContact CD2-CG 4.32Å; F467-W509 HydrophobicContact CE1-CB 3.62Å; F467-W509 AromaticContact CE1-CD1 3.69Å; F467-W509 AromaticContact CE1-CG 3.75Å; F467-W509 HydrophobicContact CE1-CG 3.75Å; F467-W509 HydrophobicContact CE2-CB 4.13Å; F467-W509 HydrophobicContact CE2-CG 4.35Å; F467-W509 AromaticContact CG-CD1 3.92Å; F467-W509 HydrophobicContact CG-CD2 4.2Å; F467-W509 HydrophobicContact CG-CG 4.03Å; F467-W509 HydrophobicContact CZ-CB 3.62Å; F467-W509 HydrophobicContact CZ-CG 4.07Å; F467-T512 HydrophobicContact CE1-CG2 4.39Å; F467-T512 WeakPolarHBondContact CE1-OG1 2.95Å; F467-A559 HydrophobicContact CE2-CB 4.13Å; F467-A559 HydrophobicContact CZ-CB 3.95Å; F467-L562 HydrophobicContact CD2-CB 4.31Å; F467-L562 HydrophobicContact CD2-CD1 4.15Å; F467-L562 HydrophobicContact CE2-CB 4.42Å; F467-L563 HydrophobicContact CE2-CD2 3.73Å; F467-L563 HydrophobicContact CE2-CG 3.82Å; F467-L563 HydrophobicContact CZ-CD1 4.43Å; F467-L563 HydrophobicContact CZ-CD2 4.19Å; F467-L563 HydrophobicContact CZ-CG 4.22Å |
| 468 | I | 86.1 | Confident | 86.6 | Confident | 24 Ų | 24 | 32.2 Ų | 32.2 | 12% | 0.123 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.1 | -47.7 | 179.6 | -61.9 | 168.4 | 0 | 0 | 0 | 110.7 | P464 R465 N470 L471 V472 L527 L533 | P464-I468 WeakPolarHBondContact O-CD1 3.21Å; P464-I468 WeakPolarHBondContact O-CG1 3.32Å; P464-I468 PolarHBondContact O-N 2.88Å; P464-I468 VanDerWaalsContact O-N 3.16Å; R465-I468 PolarHBondContact O-N 2.91Å; I468-N470 VanDerWaalsContact C-N 3.26Å; I468-N470 PolarHBondContact O-N 2.85Å; I468-L471 WeakPolarHBondContact O-CA 3.46Å; I468-L471 WeakPolarHBondContact O-CB 3.48Å; I468-L471 PolarHBondContact O-N 3.46Å; I468-V472 HydrophobicContact CG2-CG2 4.43Å; I468-V472 WeakPolarHBondContact O-CG2 3.46Å; I468-V472 PolarHBondContact O-N 3.02Å; I468-V472 VanDerWaalsContact O-N 3.13Å; I468-L527 HydrophobicContact CB-CD2 4.44Å; I468-L527 HydrophobicContact CD1-CB 4.28Å; I468-L527 HydrophobicContact CD1-CD2 3.34Å; I468-L527 HydrophobicContact CD1-CG 4.37Å; I468-L527 HydrophobicContact CG1-CD2 3.43Å; I468-L527 VanDerWaalsContact CG1-CD2 3.43Å; I468-L527 HydrophobicContact CG2-CD2 4.21Å; I468-L533 HydrophobicContact CG2-CD1 3.85Å |
| 469 | N | 87 | Confident | 86.8 | Confident | 22 Ų | 22 | 32.8 Ų | 32.8 | 12% | 0.118 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64 | -32.9 | 179.3 | -75.8 | -40.8 | 0 | 0 | 0 | 111.8 | L426 R465 L471 V472 E473 I482 | L426-N469 HydrophobicContact CD2-CB 4.4Å; L426-N469 WeakPolarHBondContact CD2-ND2 3.48Å; L426-N469 HydrophobicContact CG-CB 4.38Å; L426-N469 VanDerWaalsContact CG-ND2 3.26Å; L426-N469 WeakPolarHBondContact CG-ND2 3.38Å; R465-N469 VanDerWaalsContact O-CB 3.26Å; R465-N469 WeakPolarHBondContact O-CB 3.37Å; R465-N469 PolarHBondContact O-N 3.45Å; R465-N469 PolarHBondContact O-ND2 3.09Å; R465-N469 VanDerWaalsContact O-ND2 3.09Å; N469-L471 VanDerWaalsContact C-N 3.27Å; N469-L471 PolarHBondContact O-N 3.14Å; N469-V472 PolarHBondContact O-N 3.21Å; N469-E473 WeakPolarHBondContact O-CB 3.22Å; N469-E473 PolarHBondContact O-N 3.02Å; N469-I482 HydrophobicContact CB-CD1 4.33Å |
| 470 | N | 90 | Very high | 87.2 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.3 | -28.3 | 172.1 | -174.8 | 71.8 | 0 | 0 | 0 | 113.7 | L466 F467 I468 I482 A558 A559 L562 | L466-N470 VanDerWaalsContact O-CB 3.31Å; L466-N470 WeakPolarHBondContact O-CB 3.47Å; L466-N470 PolarHBondContact O-N 2.69Å; F467-N470 PolarHBondContact O-N 3.15Å; I468-N470 VanDerWaalsContact C-N 3.26Å; I468-N470 PolarHBondContact O-N 2.85Å; N470-I482 HydrophobicContact CB-CD1 4.3Å; N470-I482 HydrophobicContact CB-CG2 4.02Å; N470-A558 PolarHBondContact ND2-O 3.31Å; N470-A559 PolarHBondContact ND2-N 3.45Å; N470-L562 HydrophobicContact CB-CD1 3.66Å; N470-L562 WeakPolarHBondContact ND2-CD1 3.45Å |
| 471 | L | 88.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -75.5 | -32.9 | 174.3 | -76.6 | 166.7 | 0 | 0 | 0 | 112.8 | F467 I468 N469 T512 L522 V535 G536 A559 | F467-L471 HydrophobicContact CD1-CD1 4.03Å; F467-L471 HydrophobicContact CE1-CD1 3.68Å; F467-L471 HydrophobicContact CE1-CG 4.45Å; F467-L471 HydrophobicContact CZ-CD1 4.5Å; F467-L471 PolarHBondContact O-N 3.32Å; I468-L471 WeakPolarHBondContact O-CA 3.46Å; I468-L471 WeakPolarHBondContact O-CB 3.48Å; I468-L471 PolarHBondContact O-N 3.46Å; N469-L471 VanDerWaalsContact C-N 3.27Å; N469-L471 PolarHBondContact O-N 3.14Å; L471-T512 HydrophobicContact CD1-CG2 4.26Å; L471-L522 HydrophobicContact CD1-CD1 4.43Å; L471-V535 HydrophobicContact CD2-CG1 4.35Å; L471-G536 PolarHBondContact O-N 3.43Å; L471-A559 HydrophobicContact CD2-CB 3.45Å; L471-A559 VanDerWaalsContact CD2-CB 3.45Å; L471-A559 HydrophobicContact CG-CB 3.95Å |
| 472 | V | 87.1 | Confident | 88 | Confident | 28 Ų | 28 | 32.9 Ų | 32.9 | 17% | 0.17 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -94.9 | -27.2 | -174.1 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | I468 N469 T474 L533 G536 G537 | I468-V472 HydrophobicContact CG2-CG2 4.43Å; I468-V472 WeakPolarHBondContact O-CG2 3.46Å; I468-V472 PolarHBondContact O-N 3.02Å; I468-V472 VanDerWaalsContact O-N 3.13Å; N469-V472 PolarHBondContact O-N 3.21Å; V472-T474 PolarHBondContact O-N 3.31Å; V472-L533 HydrophobicContact CG2-CB 4.38Å; V472-L533 HydrophobicContact CG2-CD2 4.29Å; V472-G536 CarbonylContact O-C 3.41Å; V472-G537 VanDerWaalsContact O-CA 3.3Å; V472-G537 WeakPolarHBondContact O-CA 3.32Å; V472-G537 PolarHBondContact O-N 2.71Å |
| 473 | E | 87.6 | Confident | 88.2 | Confident | 12 Ų | 12 | 35.8 Ų | 35.8 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | trans | -63 | 131.6 | -175 | 178.1 | 59.2 | -100.2 | 0 | 0 | 112.4 | R434 N469 E475 V478 R479 | R434-E473 IonicContact CZ-OE1 3Å; R434-E473 IonicContact CZ-OE2 3.76Å; R434-E473 VanDerWaalsContact CZ-OE2 3.26Å; R434-E473 IonicContact NE-OE1 2.94Å; R434-E473 IonicContact NE-OE2 2.87Å; R434-E473 PolarHBondContact NE-OE2 3.5Å; R434-E473 VanDerWaalsContact NH2-CD 3.31Å; R434-E473 IonicContact NH2-OE1 3.33Å; R434-E473 PolarHBondContact NH2-OE1 3.31Å; R434-E473 IonicContact NH2-OE2 3.43Å; R434-E473 PolarHBondContact NH2-OE2 3.06Å; N469-E473 WeakPolarHBondContact O-CB 3.22Å; N469-E473 PolarHBondContact O-N 3.02Å; E473-E475 WeakPolarHBondContact OE1-CB 3.35Å; E473-E475 PolarHBondContact OE1-N 3.47Å; E473-V478 HydrophobicContact CG-CB 3.83Å; E473-V478 HydrophobicContact CG-CG1 4Å; E473-V478 VanDerWaalsContact OE2-CG1 3.23Å; E473-V478 WeakPolarHBondContact OE2-CG1 3.39Å; E473-R479 HydrophobicContact CB-CG 4.11Å; E473-R479 HydrophobicContact CG-CG 3.87Å; E473-R479 PolarHBondContact O-NE 2.82Å; E473-R479 PolarHBondContact O-NH2 3.23Å | ||
| 474 | T | 84.5 | Confident | 88.4 | Confident | 85 Ų | 85 | 40.3 Ų | 40.3 | 52% | 0.521 | 21% | 0.21 | S | C | . | . | trans | -89.8 | -27.3 | 176.4 | 54 | 0 | 0 | 0 | 0 | 112.4 | V472 G536 | V472-T474 PolarHBondContact O-N 3.31Å; T474-G536 WeakPolarHBondContact CG2-O 3.48Å | ||
| 475 | E | 87.7 | Confident | 88.6 | Confident | 84 Ų | 84 | 38.9 Ų | 38.9 | 39% | 0.393 | 20% | 0.201 | S | C | . | . | trans | -87.2 | 124.5 | -172.9 | -69.6 | -61.7 | 157.2 | 0 | 0 | 114.1 | E473 I477 V478 R479 | E473-E475 WeakPolarHBondContact OE1-CB 3.35Å; E473-E475 PolarHBondContact OE1-N 3.47Å; E475-I477 VanDerWaalsContact C-N 3.34Å; E475-I477 PolarHBondContact O-N 3.35Å; E475-V478 HydrophobicContact CB-CB 4.42Å; E475-V478 HydrophobicContact CB-CG2 4.05Å; E475-V478 PolarHBondContact O-N 2.72Å; E475-R479 PolarHBondContact O-N 2.69Å; E475-R479 VanDerWaalsContact O-N 3.15Å | ||
| 476 | S | 85.2 | Confident | 89 | Confident | 73 Ų | 73 | 34.8 Ų | 34.8 | 51% | 0.51 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.6 | -33.1 | -177.1 | 65.8 | 0 | 0 | 0 | 0 | 114.1 | R479 T480 | S476-R479 PolarHBondContact O-N 3.5Å; S476-T480 PolarHBondContact O-N 3.49Å; S476-T480 PolarHBondContact O-OG1 3.15Å |
| 477 | I | 87.9 | Confident | 89 | Confident | 106 Ų | 106 | 35.7 Ų | 35.7 | 54% | 0.544 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.8 | -44.8 | 178.8 | -61.8 | 170.6 | 0 | 0 | 0 | 110 | E475 T480 K481 | E475-I477 VanDerWaalsContact C-N 3.34Å; E475-I477 PolarHBondContact O-N 3.35Å; I477-T480 WeakPolarHBondContact O-CB 3.49Å; I477-T480 PolarHBondContact O-N 3.27Å; I477-K481 PolarHBondContact O-N 3.28Å; I477-K481 VanDerWaalsContact O-N 3.1Å |
| 478 | V | 90.2 | Very high | 88.9 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.6 | -45.9 | 179.3 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | R434 L438 E473 E475 T480 K481 I482 | R434-V478 HydrophobicContact CB-CG1 4.17Å; R434-V478 HydrophobicContact CB-CG2 4.42Å; L438-V478 HydrophobicContact CD1-CG1 3.69Å; E473-V478 HydrophobicContact CG-CB 3.83Å; E473-V478 HydrophobicContact CG-CG1 4Å; E473-V478 VanDerWaalsContact OE2-CG1 3.23Å; E473-V478 WeakPolarHBondContact OE2-CG1 3.39Å; E475-V478 HydrophobicContact CB-CB 4.42Å; E475-V478 HydrophobicContact CB-CG2 4.05Å; E475-V478 PolarHBondContact O-N 2.72Å; V478-T480 PolarHBondContact O-N 3.13Å; V478-K481 PolarHBondContact O-N 3.41Å; V478-I482 HydrophobicContact CG1-CD1 4.12Å; V478-I482 HydrophobicContact CG1-CG1 4.4Å; V478-I482 WeakPolarHBondContact O-CG1 3.22Å; V478-I482 PolarHBondContact O-N 3.27Å |
| 479 | R | 89.1 | Confident | 89 | Confident | 20 Ų | 20 | 35.6 Ų | 35.6 | 8% | 0.075 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.8 | -39.6 | 173.9 | -67.3 | -169.7 | -160.9 | 165.7 | 9.2 | 112.5 | E473 E475 S476 I482 F483 Q554 | E473-R479 HydrophobicContact CB-CG 4.11Å; E473-R479 HydrophobicContact CG-CG 3.87Å; E473-R479 PolarHBondContact O-NE 2.82Å; E473-R479 PolarHBondContact O-NH2 3.23Å; E475-R479 PolarHBondContact O-N 2.69Å; E475-R479 VanDerWaalsContact O-N 3.15Å; S476-R479 PolarHBondContact O-N 3.5Å; R479-I482 PolarHBondContact O-N 3.05Å; R479-F483 WeakPolarHBondContact O-CB 3.43Å; R479-F483 PolarHBondContact O-N 3.26Å; R479-Q554 VanDerWaalsContact NH1-CD 3.33Å |
| 480 | T | 90.2 | Very high | 89 | Confident | 76 Ų | 76 | 35.2 Ų | 35.2 | 47% | 0.466 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 177.2 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | S476 I477 V478 F483 Q484 | S476-T480 PolarHBondContact O-N 3.49Å; S476-T480 PolarHBondContact O-OG1 3.15Å; I477-T480 WeakPolarHBondContact O-CB 3.49Å; I477-T480 PolarHBondContact O-N 3.27Å; V478-T480 PolarHBondContact O-N 3.13Å; T480-F483 PolarHBondContact O-N 2.8Å; T480-Q484 WeakPolarHBondContact O-CG 3.47Å; T480-Q484 PolarHBondContact O-N 2.65Å |
| 481 | K | 91.2 | Very high | 88.6 | Confident | 38 Ų | 38 | 43.2 Ų | 43.2 | 17% | 0.165 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68 | -39.7 | 174.6 | -70.1 | -162.8 | 178.8 | -162.8 | 0 | 112.5 | S435 L438 S439 I442 I477 V478 F483 Q484 L485 | S435-K481 WeakPolarHBondContact O-CD 3.36Å; S435-K481 PolarHBondContact O-NZ 2.9Å; S435-K481 WeakPolarHBondContact OG-CD 3.43Å; S435-K481 WeakPolarHBondContact OG-CE 3.46Å; S435-K481 PolarHBondContact OG-NZ 3.42Å; L438-K481 HydrophobicContact CB-CB 4.05Å; L438-K481 HydrophobicContact CB-CD 4.31Å; L438-K481 HydrophobicContact CD1-CB 4.02Å; S439-K481 PolarHBondContact OG-NZ 3.21Å; I442-K481 HydrophobicContact CD1-CB 4.34Å; I477-K481 PolarHBondContact O-N 3.28Å; I477-K481 VanDerWaalsContact O-N 3.1Å; V478-K481 PolarHBondContact O-N 3.41Å; K481-F483 VanDerWaalsContact C-N 3.3Å; K481-F483 PolarHBondContact O-N 2.71Å; K481-Q484 PolarHBondContact O-N 3.45Å; K481-L485 WeakPolarHBondContact O-CB 3.29Å; K481-L485 PolarHBondContact O-N 3.47Å |
| 482 | I | 92.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58 | -46.4 | 173.1 | -66 | 170.6 | 0 | 0 | 0 | 109.9 | L438 L466 N469 N470 V478 R479 Q484 L485 W486 L562 | L438-I482 HydrophobicContact CD1-CD1 4.46Å; L438-I482 HydrophobicContact CD1-CG1 3.6Å; L438-I482 HydrophobicContact CD2-CG1 4.29Å; L466-I482 HydrophobicContact CB-CG2 4.09Å; L466-I482 HydrophobicContact CD2-CG1 4.36Å; L466-I482 HydrophobicContact CD2-CG2 4.14Å; N469-I482 HydrophobicContact CB-CD1 4.33Å; N470-I482 HydrophobicContact CB-CD1 4.3Å; N470-I482 HydrophobicContact CB-CG2 4.02Å; V478-I482 HydrophobicContact CG1-CD1 4.12Å; V478-I482 HydrophobicContact CG1-CG1 4.4Å; V478-I482 WeakPolarHBondContact O-CG1 3.22Å; V478-I482 PolarHBondContact O-N 3.27Å; R479-I482 PolarHBondContact O-N 3.05Å; I482-Q484 PolarHBondContact O-N 3.26Å; I482-L485 PolarHBondContact O-N 3.2Å; I482-W486 VanDerWaalsContact O-CB 3.24Å; I482-W486 WeakPolarHBondContact O-CB 3.42Å; I482-W486 PolarHBondContact O-N 3.16Å; I482-L562 HydrophobicContact CG2-CD1 4.43Å |
| 483 | F | 91.9 | Very high | 88.1 | Confident | 61 Ų | 61 | 46 Ų | 46 | 27% | 0.268 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 176.7 | 179.8 | -90.5 | 0 | 0 | 0 | 112.7 | R479 T480 K481 S487 R561 L562 L565 M613 | R479-F483 WeakPolarHBondContact O-CB 3.43Å; R479-F483 PolarHBondContact O-N 3.26Å; T480-F483 PolarHBondContact O-N 2.8Å; K481-F483 VanDerWaalsContact C-N 3.3Å; K481-F483 PolarHBondContact O-N 2.71Å; F483-S487 WeakPolarHBondContact O-CB 3.47Å; F483-S487 PolarHBondContact O-N 2.76Å; F483-S487 PolarHBondContact O-OG 3.23Å; F483-R561 HydrophobicContact CD2-CB 4.32Å; F483-R561 HydrophobicContact CE2-CB 4.04Å; F483-L562 HydrophobicContact CB-CD2 4.24Å; F483-L562 HydrophobicContact CD2-CD2 3.79Å; F483-L562 HydrophobicContact CG-CD2 4.45Å; F483-L565 HydrophobicContact CD2-CD1 4.11Å; F483-L565 HydrophobicContact CE1-CD1 4.5Å; F483-L565 HydrophobicContact CE2-CD1 3.47Å; F483-L565 VanDerWaalsContact CE2-CD1 3.47Å; F483-L565 HydrophobicContact CE2-CG 4.18Å; F483-L565 HydrophobicContact CZ-CD1 3.7Å; F483-L565 HydrophobicContact CZ-CD2 4.48Å; F483-L565 HydrophobicContact CZ-CG 4.35Å; F483-M613 HydrophobicContact CE2-CE 4Å; F483-M613 HydrophobicContact CZ-CE 3.64Å |
| 484 | Q | 90.7 | Very high | 87.8 | Confident | 96 Ų | 96 | 49.6 Ų | 49.6 | 45% | 0.449 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 175 | -73.2 | 176.2 | 3.6 | 0 | 0 | 112.2 | I442 T480 K481 I482 S487 L488 | I442-Q484 HydrophobicContact CD1-CB 4.03Å; T480-Q484 WeakPolarHBondContact O-CG 3.47Å; T480-Q484 PolarHBondContact O-N 2.65Å; K481-Q484 PolarHBondContact O-N 3.45Å; I482-Q484 PolarHBondContact O-N 3.26Å; Q484-S487 PolarHBondContact O-N 2.85Å; Q484-L488 WeakPolarHBondContact O-CB 3.23Å; Q484-L488 PolarHBondContact O-N 3.39Å |
| 485 | L | 90.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 177.9 | 178.3 | 54.3 | 0 | 0 | 0 | 111.1 | L438 I441 I442 L445 L466 K481 I482 S487 L488 L489 | L438-L485 HydrophobicContact CD2-CD2 3.54Å; I441-L485 HydrophobicContact CB-CD1 4.38Å; I441-L485 HydrophobicContact CB-CD2 4.26Å; I441-L485 HydrophobicContact CD1-CD2 4.37Å; I441-L485 HydrophobicContact CG2-CD1 3.6Å; I441-L485 HydrophobicContact CG2-CD2 3.94Å; I441-L485 HydrophobicContact CG2-CG 4.46Å; I442-L485 HydrophobicContact CD1-CB 4.06Å; I442-L485 HydrophobicContact CG1-CB 3.71Å; I442-L485 HydrophobicContact CG1-CD1 3.95Å; I442-L485 HydrophobicContact CG1-CG 4.33Å; L445-L485 HydrophobicContact CD1-CD1 3.35Å; L466-L485 HydrophobicContact CD1-CD2 3.73Å; L466-L485 HydrophobicContact CD1-CG 3.83Å; L466-L485 HydrophobicContact CD2-CD2 3.78Å; L466-L485 HydrophobicContact CG-CD2 4.39Å; K481-L485 WeakPolarHBondContact O-CB 3.29Å; K481-L485 PolarHBondContact O-N 3.47Å; I482-L485 PolarHBondContact O-N 3.2Å; L485-S487 VanDerWaalsContact C-N 3.34Å; L485-S487 PolarHBondContact O-N 3.03Å; L485-L488 PolarHBondContact O-N 3.47Å; L485-L488 VanDerWaalsContact O-N 3.13Å; L485-L489 HydrophobicContact CD1-CD1 4.36Å; L485-L489 HydrophobicContact CD1-CG 4.21Å; L485-L489 HydrophobicContact CG-CD1 4.22Å; L485-L489 WeakPolarHBondContact O-CG 3.49Å; L485-L489 PolarHBondContact O-N 3.47Å |
| 486 | W | 92 | Very high | 87.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -55.8 | -48.3 | 174.5 | -170.3 | -93.7 | 0 | 0 | 0 | 111.8 | M463 L466 F467 I482 L488 L489 I490 W509 L562 L566 | M463-W486 HydrophobicContact CB-CH2 4.36Å; M463-W486 HydrophobicContact CB-CZ3 4.17Å; M463-W486 HydrophobicContact CG-CZ3 4.35Å; M463-W486 VanDerWaalsContact O-CZ3 3.23Å; M463-W486 WeakPolarHBondContact O-CZ3 3.49Å; M463-W486 HydrophobicContact SD-CD2 3.77Å; M463-W486 HydrophobicContact SD-CE3 3.51Å; M463-W486 VanDerWaalsContact SD-CE3 3.51Å; M463-W486 HydrophobicContact SD-CH2 3.39Å; M463-W486 WeakPolarHBondContact SD-CH2 3.48Å; M463-W486 HydrophobicContact SD-CZ2 3.68Å; M463-W486 HydrophobicContact SD-CZ3 3.32Å; M463-W486 WeakPolarHBondContact SD-CZ3 3.49Å; L466-W486 HydrophobicContact CB-CE3 3.9Å; L466-W486 HydrophobicContact CB-CZ3 4.03Å; L466-W486 HydrophobicContact CD1-CE3 4.38Å; F467-W486 HydrophobicContact CB-CH2 3.91Å; F467-W486 HydrophobicContact CB-CZ3 3.96Å; F467-W486 HydrophobicContact CD2-CH2 4.03Å; F467-W486 HydrophobicContact CD2-CZ2 4.37Å; F467-W486 HydrophobicContact CG-CH2 4.41Å; I482-W486 VanDerWaalsContact O-CB 3.24Å; I482-W486 WeakPolarHBondContact O-CB 3.42Å; I482-W486 PolarHBondContact O-N 3.16Å; W486-L488 VanDerWaalsContact C-N 3.28Å; W486-L488 PolarHBondContact O-N 3.44Å; W486-L489 PolarHBondContact O-N 3.02Å; W486-I490 VanDerWaalsContact CD1-CD1 3.42Å; W486-I490 HydrophobicContact CG-CD1 4.34Å; W486-I490 VanDerWaalsContact O-CG1 3.31Å; W486-I490 WeakPolarHBondContact O-CG1 3.3Å; W486-I490 PolarHBondContact O-N 2.99Å; W486-I490 VanDerWaalsContact O-N 3.07Å; W486-W509 AromaticContact CH2-CH2 3.99Å; W486-W509 HydrophobicContact CH2-CH2 3.99Å; W486-W509 HydrophobicContact CH2-CZ2 4.4Å; W486-W509 HydrophobicContact CH2-CZ3 4.11Å; W486-W509 HydrophobicContact CZ2-CZ3 4.34Å; W486-L562 HydrophobicContact CB-CD2 3.82Å; W486-L562 HydrophobicContact CD2-CB 4.28Å; W486-L562 HydrophobicContact CD2-CD1 4.43Å; W486-L562 HydrophobicContact CD2-CD2 4.13Å; W486-L562 HydrophobicContact CE3-CD1 4.45Å; W486-L562 HydrophobicContact CG-CB 4.44Å; W486-L562 HydrophobicContact CG-CD2 3.67Å; W486-L562 HydrophobicContact CG-CG 4.5Å; W486-L562 HydrophobicContact CZ2-CB 4.22Å; W486-L562 PolarHBondContact NE1-O 2.89Å; W486-L566 HydrophobicContact CH2-CD1 4.45Å; W486-L566 HydrophobicContact CZ2-CD1 3.53Å; W486-L566 HydrophobicContact CZ2-CG 4.05Å |
| 487 | S | 90 | Very high | 86.9 | Confident | 19 Ų | 19 | 45.1 Ų | 45.1 | 13% | 0.133 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.1 | -38.5 | 176.8 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | F483 Q484 L485 K491 L565 | F483-S487 WeakPolarHBondContact O-CB 3.47Å; F483-S487 PolarHBondContact O-N 2.76Å; F483-S487 PolarHBondContact O-OG 3.23Å; Q484-S487 PolarHBondContact O-N 2.85Å; L485-S487 VanDerWaalsContact C-N 3.34Å; L485-S487 PolarHBondContact O-N 3.03Å; S487-K491 WeakPolarHBondContact O-CB 3.41Å; S487-K491 VanDerWaalsContact O-CG 3.28Å; S487-K491 WeakPolarHBondContact O-CG 3.29Å; S487-K491 PolarHBondContact O-N 2.86Å; S487-L565 VanDerWaalsContact OG-CD1 3.24Å; S487-L565 WeakPolarHBondContact OG-CD1 3.32Å |
| 488 | L | 87.6 | Confident | 86.7 | Confident | 23 Ų | 23 | 40.3 Ų | 40.3 | 12% | 0.12 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71.5 | -42.6 | 180 | -172.5 | 66.2 | 0 | 0 | 0 | 111.9 | I442 L445 K446 Q484 L485 W486 I490 K491 N492 | I442-L488 HydrophobicContact CG2-CD2 4.22Å; I442-L488 WeakPolarHBondContact O-CD2 3.41Å; L445-L488 HydrophobicContact CB-CD2 3.46Å; L445-L488 VanDerWaalsContact CB-CD2 3.46Å; L445-L488 HydrophobicContact CB-CG 4.21Å; L445-L488 HydrophobicContact CD1-CD2 4.24Å; K446-L488 HydrophobicContact CG-CD1 4.14Å; K446-L488 HydrophobicContact CG-CD2 3.81Å; Q484-L488 WeakPolarHBondContact O-CB 3.23Å; Q484-L488 PolarHBondContact O-N 3.39Å; L485-L488 PolarHBondContact O-N 3.47Å; L485-L488 VanDerWaalsContact O-N 3.13Å; W486-L488 VanDerWaalsContact C-N 3.28Å; W486-L488 PolarHBondContact O-N 3.44Å; L488-I490 VanDerWaalsContact C-N 3.29Å; L488-I490 PolarHBondContact O-N 3.38Å; L488-K491 PolarHBondContact O-N 3.37Å; L488-N492 WeakPolarHBondContact O-CB 3.47Å; L488-N492 PolarHBondContact O-N 3.38Å |
| 489 | L | 87.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.6 | -43 | 175 | -72.2 | 171 | 0 | 0 | 0 | 111.3 | L445 M455 L459 F462 M463 L466 L485 W486 T493 | L445-L489 HydrophobicContact CD1-CD2 3.63Å; L445-L489 HydrophobicContact CD1-CG 4.14Å; L445-L489 HydrophobicContact CD2-CD2 4.39Å; M455-L489 HydrophobicContact CE-CD2 3.57Å; L459-L489 HydrophobicContact CD2-CB 4.44Å; F462-L489 HydrophobicContact CB-CD1 4.18Å; M463-L489 HydrophobicContact CE-CB 4.37Å; L466-L489 HydrophobicContact CD1-CD1 3.65Å; L485-L489 HydrophobicContact CD1-CD1 4.36Å; L485-L489 HydrophobicContact CD1-CG 4.21Å; L485-L489 HydrophobicContact CG-CD1 4.22Å; L485-L489 WeakPolarHBondContact O-CG 3.49Å; L485-L489 PolarHBondContact O-N 3.47Å; W486-L489 PolarHBondContact O-N 3.02Å; L489-T493 WeakPolarHBondContact O-CB 3.42Å; L489-T493 PolarHBondContact O-N 3.49Å; L489-T493 PolarHBondContact O-OG1 2.66Å |
| 490 | I | 86.8 | Confident | 85.7 | Confident | 13 Ų | 13 | 47.3 Ų | 47.3 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -47.3 | 177 | -68.9 | 172.5 | 0 | 0 | 0 | 111 | M463 W486 L488 N492 T493 L498 L565 L566 V569 | M463-I490 HydrophobicContact CE-CG1 3.8Å; W486-I490 VanDerWaalsContact CD1-CD1 3.42Å; W486-I490 HydrophobicContact CG-CD1 4.34Å; W486-I490 VanDerWaalsContact O-CG1 3.31Å; W486-I490 WeakPolarHBondContact O-CG1 3.3Å; W486-I490 PolarHBondContact O-N 2.99Å; W486-I490 VanDerWaalsContact O-N 3.07Å; L488-I490 VanDerWaalsContact C-N 3.29Å; L488-I490 PolarHBondContact O-N 3.38Å; I490-N492 VanDerWaalsContact C-N 3.32Å; I490-N492 PolarHBondContact O-N 3.04Å; I490-T493 PolarHBondContact O-N 2.86Å; I490-L498 HydrophobicContact CB-CD2 4.44Å; I490-L498 HydrophobicContact CG1-CD2 4.3Å; I490-L498 HydrophobicContact CG2-CD2 3.98Å; I490-L565 HydrophobicContact CD1-CB 3.7Å; I490-L566 HydrophobicContact CD1-CD2 3.52Å; I490-L566 HydrophobicContact CD1-CG 3.94Å; I490-L566 HydrophobicContact CG1-CD2 3.78Å; I490-V569 HydrophobicContact CG2-CB 4.44Å; I490-V569 HydrophobicContact CG2-CG2 3.45Å; I490-V569 VanDerWaalsContact CG2-CG2 3.45Å |
| 491 | K | 82.9 | Confident | 85.2 | Confident | 171 Ų | 171 | 46 Ų | 46 | 74% | 0.743 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -65.1 | -32.5 | -177.9 | -77.4 | 177.3 | -179.4 | -176.6 | 0 | 113.8 | S487 L488 | S487-K491 WeakPolarHBondContact O-CB 3.41Å; S487-K491 VanDerWaalsContact O-CG 3.28Å; S487-K491 WeakPolarHBondContact O-CG 3.29Å; S487-K491 PolarHBondContact O-N 2.86Å; L488-K491 PolarHBondContact O-N 3.37Å |
| 492 | N | 81.9 | Confident | 84.7 | Confident | 77 Ų | 77 | 44.2 Ų | 44.2 | 41% | 0.412 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -87.8 | -9 | -176.4 | -72.4 | -1.8 | 0 | 0 | 0 | 113.7 | L445 L488 I490 | L445-N492 PolarHBondContact O-ND2 3.26Å; L488-N492 WeakPolarHBondContact O-CB 3.47Å; L488-N492 PolarHBondContact O-N 3.38Å; I490-N492 VanDerWaalsContact C-N 3.32Å; I490-N492 PolarHBondContact O-N 3.04Å |
| 493 | T | 82.7 | Confident | 84 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -99.9 | 140.3 | -178 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | M455 L459 L489 I490 V497 L498 | M455-T493 HydrophobicContact CG-CG2 4.46Å; L459-T493 HydrophobicContact CD1-CG2 3.5Å; L459-T493 VanDerWaalsContact CD1-CG2 3.5Å; L489-T493 WeakPolarHBondContact O-CB 3.42Å; L489-T493 PolarHBondContact O-N 3.49Å; L489-T493 PolarHBondContact O-OG1 2.66Å; I490-T493 PolarHBondContact O-N 2.86Å; T493-V497 HydrophobicContact CG2-CB 4.33Å; T493-V497 HydrophobicContact CG2-CG1 4.37Å; T493-L498 HydrophobicContact CG2-CB 3.96Å |
| 494 | D | 80 | Confident | 83.2 | Confident | 87 Ų | 87 | 55 Ų | 55 | 47% | 0.465 | 27% | 0.274 | S | S | . | . | trans | -56.8 | 127.9 | 169.1 | -171.6 | -50.3 | 0 | 0 | 0 | 110 | T496 V497 L498 | D494-T496 VanDerWaalsContact CG-OG1 3.26Å; D494-T496 PolarHBondContact O-N 3.32Å; D494-T496 VanDerWaalsContact O-N 3.1Å; D494-T496 WeakPolarHBondContact OD1-CB 3.44Å; D494-T496 PolarHBondContact OD1-N 3.04Å; D494-T496 PolarHBondContact OD1-OG1 3.11Å; D494-V497 HydrophobicContact CB-CB 4.44Å; D494-V497 HydrophobicContact CB-CG2 4.15Å; D494-V497 PolarHBondContact O-N 3.29Å; D494-L498 PolarHBondContact O-N 2.91Å | ||
| 495 | P | 79.6 | Confident | 82.7 | Confident | 56 Ų | 56 | 52.8 Ų | 52.8 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -52 | -33.6 | 179.5 | -28.4 | 34.8 | 0 | 0 | 0 | 114.6 | I499 V569 | P495-I499 WeakPolarHBondContact O-CB 3.3Å; P495-I499 VanDerWaalsContact O-CD1 3.27Å; P495-I499 WeakPolarHBondContact O-CD1 3.38Å; P495-I499 WeakPolarHBondContact O-CG1 3.36Å; P495-I499 PolarHBondContact O-N 3.26Å; P495-V569 HydrophobicContact CB-CG1 3.93Å; P495-V569 HydrophobicContact CG-CG1 4.28Å |
| 496 | T | 78.4 | Confident | 82.3 | Confident | 64 Ų | 64 | 53.5 Ų | 53.5 | 39% | 0.393 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.6 | -49.3 | -179.8 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | D494 L498 I499 E500 A576 | D494-T496 VanDerWaalsContact CG-OG1 3.26Å; D494-T496 PolarHBondContact O-N 3.32Å; D494-T496 VanDerWaalsContact O-N 3.1Å; D494-T496 WeakPolarHBondContact OD1-CB 3.44Å; D494-T496 PolarHBondContact OD1-N 3.04Å; D494-T496 PolarHBondContact OD1-OG1 3.11Å; T496-L498 VanDerWaalsContact C-N 3.33Å; T496-L498 PolarHBondContact O-N 2.69Å; T496-I499 PolarHBondContact O-N 2.97Å; T496-E500 PolarHBondContact O-N 3.4Å; T496-E500 VanDerWaalsContact O-N 3.09Å; T496-A576 HydrophobicContact CG2-CB 3.92Å |
| 497 | V | 80.5 | Confident | 81.9 | Confident | 29 Ų | 29 | 55.4 Ų | 55.4 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 175.8 | 178.9 | 0 | 0 | 0 | 0 | 111 | V456 T493 D494 E500 F501 | V456-V497 HydrophobicContact CG2-CG1 3.4Å; V456-V497 VanDerWaalsContact CG2-CG1 3.4Å; T493-V497 HydrophobicContact CG2-CB 4.33Å; T493-V497 HydrophobicContact CG2-CG1 4.37Å; D494-V497 HydrophobicContact CB-CB 4.44Å; D494-V497 HydrophobicContact CB-CG2 4.15Å; D494-V497 PolarHBondContact O-N 3.29Å; V497-E500 PolarHBondContact O-N 3Å; V497-F501 PolarHBondContact O-N 3.47Å |
| 498 | L | 83.4 | Confident | 81.5 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 177.1 | -175.7 | 64.9 | 0 | 0 | 0 | 111.6 | L459 M463 I490 T493 D494 T496 F501 V502 L566 V569 | L459-L498 HydrophobicContact CD2-CD1 4.32Å; M463-L498 HydrophobicContact CE-CD1 3.78Å; I490-L498 HydrophobicContact CB-CD2 4.44Å; I490-L498 HydrophobicContact CG1-CD2 4.3Å; I490-L498 HydrophobicContact CG2-CD2 3.98Å; T493-L498 HydrophobicContact CG2-CB 3.96Å; D494-L498 PolarHBondContact O-N 2.91Å; T496-L498 VanDerWaalsContact C-N 3.33Å; T496-L498 PolarHBondContact O-N 2.69Å; L498-F501 PolarHBondContact O-N 3.37Å; L498-V502 HydrophobicContact CD1-CG2 3.85Å; L498-V502 HydrophobicContact CG-CG2 4.18Å; L498-V502 VanDerWaalsContact O-CB 3.29Å; L498-V502 WeakPolarHBondContact O-CB 3.02Å; L498-V502 WeakPolarHBondContact O-CG2 3.26Å; L498-V502 PolarHBondContact O-N 2.93Å; L498-L566 HydrophobicContact CD1-CD2 4.27Å; L498-L566 HydrophobicContact CD2-CD2 4.16Å; L498-L566 HydrophobicContact CG-CD2 4.42Å; L498-V569 HydrophobicContact CD2-CG1 4.11Å |
| 499 | I | 80 | Confident | 81.5 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 9% | 0.087 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 179.4 | -71.8 | 163.4 | 0 | 0 | 0 | 111.2 | P495 T496 F501 V502 H503 I570 A573 V580 | P495-I499 WeakPolarHBondContact O-CB 3.3Å; P495-I499 VanDerWaalsContact O-CD1 3.27Å; P495-I499 WeakPolarHBondContact O-CD1 3.38Å; P495-I499 WeakPolarHBondContact O-CG1 3.36Å; P495-I499 PolarHBondContact O-N 3.26Å; T496-I499 PolarHBondContact O-N 2.97Å; I499-F501 VanDerWaalsContact C-N 3.29Å; I499-F501 PolarHBondContact O-N 3.13Å; I499-V502 PolarHBondContact O-N 3.23Å; I499-H503 VanDerWaalsContact O-CB 3.32Å; I499-H503 WeakPolarHBondContact O-CB 3.08Å; I499-H503 PolarHBondContact O-N 3.19Å; I499-I570 HydrophobicContact CG1-CG1 4.08Å; I499-A573 HydrophobicContact CD1-CB 3.73Å; I499-V580 HydrophobicContact CG2-CG1 3.95Å; I499-V580 HydrophobicContact CG2-CG2 4.28Å |
| 500 | E | 79.5 | Confident | 81.6 | Confident | 151 Ų | 151 | 59.8 Ų | 59.8 | 71% | 0.706 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59 | -41.1 | 178.7 | -74 | -173.9 | 169.4 | 0 | 0 | 112 | T496 V497 | T496-E500 PolarHBondContact O-N 3.4Å; T496-E500 VanDerWaalsContact O-N 3.09Å; V497-E500 PolarHBondContact O-N 3Å |
| 501 | F | 79.6 | Confident | 81.5 | Confident | 48 Ų | 48 | 60.7 Ų | 60.7 | 21% | 0.211 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.6 | -48.5 | 177.3 | 177.3 | -103.1 | 0 | 0 | 0 | 112.5 | L459 M463 P464 V497 L498 I499 H503 | L459-F501 HydrophobicContact CB-CD1 4.32Å; L459-F501 HydrophobicContact CB-CE1 4.35Å; M463-F501 HydrophobicContact CB-CE1 4Å; M463-F501 HydrophobicContact CG-CE1 4.36Å; P464-F501 HydrophobicContact CG-CZ 4.47Å; V497-F501 PolarHBondContact O-N 3.47Å; L498-F501 PolarHBondContact O-N 3.37Å; I499-F501 VanDerWaalsContact C-N 3.29Å; I499-F501 PolarHBondContact O-N 3.13Å; F501-H503 PolarHBondContact O-N 3.2Å |
| 502 | V | 80.9 | Confident | 81.8 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.6 | -29.4 | -171.8 | 170.6 | 0 | 0 | 0 | 0 | 112.4 | L498 I499 Q504 M505 L506 W509 L566 I570 | L498-V502 HydrophobicContact CD1-CG2 3.85Å; L498-V502 HydrophobicContact CG-CG2 4.18Å; L498-V502 VanDerWaalsContact O-CB 3.29Å; L498-V502 WeakPolarHBondContact O-CB 3.02Å; L498-V502 WeakPolarHBondContact O-CG2 3.26Å; L498-V502 PolarHBondContact O-N 2.93Å; I499-V502 PolarHBondContact O-N 3.23Å; V502-Q504 PolarHBondContact O-N 3.43Å; V502-Q504 VanDerWaalsContact O-N 3.12Å; V502-M505 PolarHBondContact O-N 3.06Å; V502-L506 HydrophobicContact CG1-CB 4.19Å; V502-L506 HydrophobicContact CG1-CD1 3.76Å; V502-L506 HydrophobicContact CG1-CG 4.5Å; V502-L506 WeakPolarHBondContact O-CB 3.26Å; V502-L506 PolarHBondContact O-N 3.47Å; V502-W509 HydrophobicContact CG1-CZ3 4.2Å; V502-W509 HydrophobicContact CG2-CZ3 4.48Å; V502-L566 HydrophobicContact CG1-CD1 3.96Å; V502-L566 HydrophobicContact CG2-CD1 4.33Å; V502-L566 HydrophobicContact CG2-CD2 4.05Å; V502-I570 HydrophobicContact CG1-CD1 4.41Å |
| 503 | H | 77 | Confident | 82.1 | Confident | 138 Ų | 138 | 49.2 Ų | 49.2 | 64% | 0.639 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -52.6 | -38.2 | -175.8 | 173.7 | 62.5 | 0 | 0 | 0 | 113.4 | I499 F501 | I499-H503 VanDerWaalsContact O-CB 3.32Å; I499-H503 WeakPolarHBondContact O-CB 3.08Å; I499-H503 PolarHBondContact O-N 3.19Å; F501-H503 PolarHBondContact O-N 3.2Å |
| 504 | Q | 76.2 | Confident | 82.4 | Confident | 150 Ų | 150 | 50.1 Ų | 50.1 | 70% | 0.701 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -74.6 | -27.7 | 180 | -61.8 | -175.5 | 7.2 | 0 | 0 | 113.3 | V502 Y508 | V502-Q504 PolarHBondContact O-N 3.43Å; V502-Q504 VanDerWaalsContact O-N 3.12Å; Q504-Y508 VanDerWaalsContact O-CD2 3.31Å; Q504-Y508 WeakPolarHBondContact O-CD2 3.31Å; Q504-Y508 WeakPolarHBondContact O-CE2 3.3Å |
| 505 | M | 80 | Confident | 82.8 | Confident | 49 Ų | 49 | 47 Ų | 47 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -96.6 | -24 | -173.4 | -66.8 | -58.2 | -61.2 | 0 | 0 | 113.8 | V502 G507 Y508 W509 | V502-M505 PolarHBondContact O-N 3.06Å; M505-G507 VanDerWaalsContact C-N 3.31Å; M505-G507 PolarHBondContact O-N 3.41Å; M505-Y508 WeakPolarHBondContact O-CB 3.47Å; M505-Y508 PolarHBondContact O-N 2.93Å; M505-W509 HydrophobicContact CB-CD2 4.08Å; M505-W509 HydrophobicContact CB-CE3 4.24Å; M505-W509 HydrophobicContact CB-CH2 4.02Å; M505-W509 HydrophobicContact CB-CZ2 3.86Å; M505-W509 HydrophobicContact CB-CZ3 4.2Å; M505-W509 HydrophobicContact CE-CZ2 4.41Å; M505-W509 HydrophobicContact CG-CZ2 4.31Å; M505-W509 PolarHBondContact O-N 3.41Å |
| 506 | L | 82.3 | Confident | 83 | Confident | 16 Ų | 16 | 46.7 Ų | 46.7 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.8 | -39.9 | -170.5 | -165.2 | 142.7 | 0 | 0 | 0 | 113.1 | V502 L510 F567 I570 L584 L587 | V502-L506 HydrophobicContact CG1-CB 4.19Å; V502-L506 HydrophobicContact CG1-CD1 3.76Å; V502-L506 HydrophobicContact CG1-CG 4.5Å; V502-L506 WeakPolarHBondContact O-CB 3.26Å; V502-L506 PolarHBondContact O-N 3.47Å; L506-L510 VanDerWaalsContact O-CB 3.31Å; L506-L510 WeakPolarHBondContact O-CB 3.46Å; L506-L510 PolarHBondContact O-N 2.84Å; L506-F567 HydrophobicContact CD1-CD1 3.95Å; L506-F567 HydrophobicContact CD1-CE1 3.46Å; L506-F567 VanDerWaalsContact CD1-CE1 3.46Å; L506-F567 HydrophobicContact CD2-CE1 3.81Å; L506-F567 HydrophobicContact CD2-CZ 4.13Å; L506-F567 HydrophobicContact CG-CE1 3.66Å; L506-F567 HydrophobicContact CG-CZ 4.34Å; L506-I570 HydrophobicContact CD1-CD1 3.55Å; L506-L584 HydrophobicContact CD1-CD1 4.48Å; L506-L584 HydrophobicContact CD2-CD1 3.91Å; L506-L587 HydrophobicContact CD2-CD2 3.59Å |
| 507 | G | 82.4 | Confident | 83.3 | Confident | 39 Ų | 39 | 47.3 Ų | 47.3 | 40% | 0.402 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | M505 A511 | M505-G507 VanDerWaalsContact C-N 3.31Å; M505-G507 PolarHBondContact O-N 3.41Å; G507-A511 WeakPolarHBondContact O-CB 3.3Å; G507-A511 PolarHBondContact O-N 2.95Å |
| 508 | Y | 83.1 | Confident | 83.4 | Confident | 126 Ų | 126 | 49 Ų | 49 | 49% | 0.494 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.4 | -45.2 | 178.3 | -64.4 | -72.3 | 0 | 0 | 0 | 111.9 | Q504 M505 L510 A511 T512 F526 | Q504-Y508 VanDerWaalsContact O-CD2 3.31Å; Q504-Y508 WeakPolarHBondContact O-CD2 3.31Å; Q504-Y508 WeakPolarHBondContact O-CE2 3.3Å; M505-Y508 WeakPolarHBondContact O-CB 3.47Å; M505-Y508 PolarHBondContact O-N 2.93Å; Y508-L510 VanDerWaalsContact C-N 3.34Å; Y508-L510 PolarHBondContact O-N 3.31Å; Y508-A511 WeakPolarHBondContact O-CB 3.21Å; Y508-A511 PolarHBondContact O-N 3.43Å; Y508-A511 VanDerWaalsContact O-N 3.14Å; Y508-T512 WeakPolarHBondContact O-CG2 3.49Å; Y508-T512 PolarHBondContact O-N 2.95Å; Y508-T512 VanDerWaalsContact O-N 3.17Å; Y508-F526 AromaticContact CD1-CD1 3.81Å; Y508-F526 HydrophobicContact CD1-CD1 3.81Å; Y508-F526 HydrophobicContact CD1-CE1 4.01Å |
| 509 | W | 87.7 | Confident | 83.5 | Confident | 9 Ų | 9 | 53 Ų | 53 | 3% | 0.034 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 177.2 | -67.8 | -22.5 | 0 | 0 | 0 | 112.2 | M463 F467 W486 V502 M505 A511 T512 L563 L566 | M463-W509 HydrophobicContact CB-CH2 4.18Å; M463-W509 HydrophobicContact CB-CZ2 4.47Å; F467-W509 HydrophobicContact CD1-CB 4.15Å; F467-W509 AromaticContact CD1-CD1 3.39Å; F467-W509 HydrophobicContact CD1-CD2 4.37Å; F467-W509 AromaticContact CD1-CG 3.74Å; F467-W509 HydrophobicContact CD1-CG 3.74Å; F467-W509 AromaticContact CD1-NE1 3.84Å; F467-W509 HydrophobicContact CD2-CD2 4.38Å; F467-W509 HydrophobicContact CD2-CG 4.32Å; F467-W509 HydrophobicContact CE1-CB 3.62Å; F467-W509 AromaticContact CE1-CD1 3.69Å; F467-W509 AromaticContact CE1-CG 3.75Å; F467-W509 HydrophobicContact CE1-CG 3.75Å; F467-W509 HydrophobicContact CE2-CB 4.13Å; F467-W509 HydrophobicContact CE2-CG 4.35Å; F467-W509 AromaticContact CG-CD1 3.92Å; F467-W509 HydrophobicContact CG-CD2 4.2Å; F467-W509 HydrophobicContact CG-CG 4.03Å; F467-W509 HydrophobicContact CZ-CB 3.62Å; F467-W509 HydrophobicContact CZ-CG 4.07Å; W486-W509 AromaticContact CH2-CH2 3.99Å; W486-W509 HydrophobicContact CH2-CH2 3.99Å; W486-W509 HydrophobicContact CH2-CZ2 4.4Å; W486-W509 HydrophobicContact CH2-CZ3 4.11Å; W486-W509 HydrophobicContact CZ2-CZ3 4.34Å; V502-W509 HydrophobicContact CG1-CZ3 4.2Å; V502-W509 HydrophobicContact CG2-CZ3 4.48Å; M505-W509 HydrophobicContact CB-CD2 4.08Å; M505-W509 HydrophobicContact CB-CE3 4.24Å; M505-W509 HydrophobicContact CB-CH2 4.02Å; M505-W509 HydrophobicContact CB-CZ2 3.86Å; M505-W509 HydrophobicContact CB-CZ3 4.2Å; M505-W509 HydrophobicContact CE-CZ2 4.41Å; M505-W509 HydrophobicContact CG-CZ2 4.31Å; M505-W509 PolarHBondContact O-N 3.41Å; W509-A511 VanDerWaalsContact C-N 3.31Å; W509-A511 PolarHBondContact O-N 3.15Å; W509-T512 PolarHBondContact O-N 3.32Å; W509-T512 PolarHBondContact O-OG1 3.42Å; W509-L563 HydrophobicContact CB-CD2 3.86Å; W509-L563 HydrophobicContact CE3-CD2 4.15Å; W509-L566 HydrophobicContact CE3-CD1 4.09Å; W509-L566 HydrophobicContact CZ3-CD1 3.59Å |
| 510 | L | 87.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 173.3 | -173.6 | 63.6 | 0 | 0 | 0 | 111.7 | L506 Y508 T512 L513 M514 L563 L587 L588 V606 | L506-L510 VanDerWaalsContact O-CB 3.31Å; L506-L510 WeakPolarHBondContact O-CB 3.46Å; L506-L510 PolarHBondContact O-N 2.84Å; Y508-L510 VanDerWaalsContact C-N 3.34Å; Y508-L510 PolarHBondContact O-N 3.31Å; L510-T512 VanDerWaalsContact C-N 3.28Å; L510-T512 PolarHBondContact O-N 3.26Å; L510-L513 HydrophobicContact CD1-CD1 4.37Å; L510-L513 WeakPolarHBondContact O-CB 3.47Å; L510-L513 PolarHBondContact O-N 3.41Å; L510-M514 HydrophobicContact CD2-CE 4.22Å; L510-M514 HydrophobicContact CG-CE 3.87Å; L510-L563 HydrophobicContact CD1-CD1 4.23Å; L510-L587 HydrophobicContact CD2-CD2 3.89Å; L510-L587 HydrophobicContact CD2-CG 4.01Å; L510-L588 HydrophobicContact CD2-CD2 4.39Å; L510-V606 HydrophobicContact CD1-CG2 4.17Å |
| 511 | A | 86.5 | Confident | 84 | Confident | 32 Ų | 32 | 47 Ų | 47 | 26% | 0.264 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.6 | -30.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | G507 Y508 W509 L513 M514 F526 | G507-A511 WeakPolarHBondContact O-CB 3.3Å; G507-A511 PolarHBondContact O-N 2.95Å; Y508-A511 WeakPolarHBondContact O-CB 3.21Å; Y508-A511 PolarHBondContact O-N 3.43Å; Y508-A511 VanDerWaalsContact O-N 3.14Å; W509-A511 VanDerWaalsContact C-N 3.31Å; W509-A511 PolarHBondContact O-N 3.15Å; A511-L513 PolarHBondContact O-N 3.3Å; A511-M514 WeakPolarHBondContact O-CB 3.33Å; A511-M514 PolarHBondContact O-N 3.03Å; A511-F526 HydrophobicContact CB-CE1 4.27Å |
| 512 | T | 87.7 | Confident | 84 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -27.8 | 176.6 | 68.9 | 0 | 0 | 0 | 0 | 113.4 | F467 L471 Y508 W509 L510 M514 V515 L522 | F467-T512 HydrophobicContact CE1-CG2 4.39Å; F467-T512 WeakPolarHBondContact CE1-OG1 2.95Å; L471-T512 HydrophobicContact CD1-CG2 4.26Å; Y508-T512 WeakPolarHBondContact O-CG2 3.49Å; Y508-T512 PolarHBondContact O-N 2.95Å; Y508-T512 VanDerWaalsContact O-N 3.17Å; W509-T512 PolarHBondContact O-N 3.32Å; W509-T512 PolarHBondContact O-OG1 3.42Å; L510-T512 VanDerWaalsContact C-N 3.28Å; L510-T512 PolarHBondContact O-N 3.26Å; T512-M514 PolarHBondContact O-N 2.73Å; T512-V515 WeakPolarHBondContact O-CG2 3.45Å; T512-L522 HydrophobicContact CG2-CD2 4.1Å |
| 513 | L | 89.1 | Confident | 83.4 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -16.2 | 176.5 | -65.6 | 174 | 0 | 0 | 0 | 112.9 | L510 A511 V515 K556 A559 A560 L563 A602 V606 | L510-L513 HydrophobicContact CD1-CD1 4.37Å; L510-L513 WeakPolarHBondContact O-CB 3.47Å; L510-L513 PolarHBondContact O-N 3.41Å; A511-L513 PolarHBondContact O-N 3.3Å; L513-V515 VanDerWaalsContact C-N 3.34Å; L513-K556 HydrophobicContact CD2-CB 3.86Å; L513-K556 HydrophobicContact CD2-CG 4.06Å; L513-K556 WeakPolarHBondContact CD2-O 3.31Å; L513-K556 WeakPolarHBondContact O-CD 3.35Å; L513-K556 WeakPolarHBondContact O-CE 3.23Å; L513-K556 PolarHBondContact O-NZ 3.35Å; L513-K556 VanDerWaalsContact O-NZ 3.13Å; L513-A559 HydrophobicContact CD2-CB 3.77Å; L513-A560 HydrophobicContact CD1-CB 4.34Å; L513-L563 HydrophobicContact CD1-CD1 3.62Å; L513-A602 HydrophobicContact CB-CB 3.83Å; L513-V606 HydrophobicContact CD1-CG2 3.63Å |
| 514 | M | 89.4 | Confident | 82.8 | Confident | 28 Ų | 28 | 47.9 Ų | 47.9 | 14% | 0.138 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 3.8 | -176.3 | -55.4 | 174.6 | 174.7 | 0 | 0 | 112.9 | L510 A511 T512 H591 E598 R599 A602 | L510-M514 HydrophobicContact CD2-CE 4.22Å; L510-M514 HydrophobicContact CG-CE 3.87Å; A511-M514 WeakPolarHBondContact O-CB 3.33Å; A511-M514 PolarHBondContact O-N 3.03Å; T512-M514 PolarHBondContact O-N 2.73Å; M514-H591 HydrophobicContact CE-CB 4.05Å; M514-H591 VanDerWaalsContact CE-CG 3.46Å; M514-H591 WeakPolarHBondContact CE-ND1 3.35Å; M514-E598 WeakPolarHBondContact O-CB 3.29Å; M514-R599 HydrophobicContact CB-CG 4.5Å; M514-R599 HydrophobicContact CE-CG 4.45Å; M514-R599 HydrophobicContact CG-CG 4.28Å; M514-R599 HydrophobicContact SD-CB 4.38Å; M514-R599 HydrophobicContact SD-CG 3.74Å; M514-A602 HydrophobicContact CG-CB 3.75Å |
| 515 | V | 87.2 | Confident | 82 | Confident | 23 Ų | 23 | 49 Ų | 49 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -73.3 | 130.4 | 177 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | T512 L513 N519 L522 K556 | T512-V515 WeakPolarHBondContact O-CG2 3.45Å; L513-V515 VanDerWaalsContact C-N 3.34Å; V515-N519 WeakPolarHBondContact CG1-O 3.35Å; V515-L522 HydrophobicContact CG2-CD2 3.98Å; V515-K556 WeakPolarHBondContact O-CE 3.25Å; V515-K556 PolarHBondContact O-NZ 3.29Å |
| 516 | P | 85.2 | Confident | 80.8 | Confident | 48 Ų | 48 | 50.4 Ų | 50.4 | 31% | 0.312 | 27% | 0.265 | S | S | . | . | trans | -68.5 | 145.9 | 178.8 | 29.1 | -35.2 | 0 | 0 | 0 | 111.4 | S518 N519 E598 | P516-S518 PolarHBondContact O-N 3.37Å; P516-N519 CarbonylContact O-C 3.43Å; P516-N519 VanDerWaalsContact O-C 3.25Å; P516-N519 PolarHBondContact O-N 3.49Å; P516-E598 HydrophobicContact CB-CG 4.24Å | ||
| 517 | W | 84.1 | Confident | 79.6 | Confident | 77 Ų | 77 | 51.1 Ų | 51.1 | 29% | 0.292 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -23.1 | 179.7 | 61.3 | -97.2 | 0 | 0 | 0 | 113.5 | N519 P520 Q549 V552 | W517-N519 VanDerWaalsContact C-N 3.28Å; W517-N519 PolarHBondContact O-N 3.29Å; W517-P520 WeakPolarHBondContact O-CD 3.47Å; W517-Q549 HydrophobicContact CD2-CB 4.26Å; W517-Q549 HydrophobicContact CD2-CG 4.26Å; W517-Q549 HydrophobicContact CE3-CB 4.33Å; W517-Q549 HydrophobicContact CG-CB 4.42Å; W517-Q549 HydrophobicContact CG-CG 4.14Å; W517-V552 HydrophobicContact CB-CB 4.15Å; W517-V552 HydrophobicContact CB-CG1 4.04Å; W517-V552 HydrophobicContact CB-CG2 4.41Å |
| 518 | S | 82.6 | Confident | 78.3 | Confident | 64 Ų | 64 | 52.7 Ų | 52.7 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -24.8 | 178.2 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | P516 R548 | P516-S518 PolarHBondContact O-N 3.37Å; S518-R548 PolarHBondContact O-NH1 2.71Å |
| 519 | N | 85.4 | Confident | 77.1 | Confident | 91 Ų | 91 | 48 Ų | 48 | 49% | 0.487 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -141.7 | 76.4 | 175.5 | -173.8 | 18.5 | 0 | 0 | 0 | 110.1 | V515 P516 W517 V521 | V515-N519 WeakPolarHBondContact CG1-O 3.35Å; P516-N519 CarbonylContact O-C 3.43Å; P516-N519 VanDerWaalsContact O-C 3.25Å; P516-N519 PolarHBondContact O-N 3.49Å; W517-N519 VanDerWaalsContact C-N 3.28Å; W517-N519 PolarHBondContact O-N 3.29Å; N519-V521 PolarHBondContact O-N 3.16Å; N519-V521 WeakPolarHBondContact OD1-CG2 3.32Å |
| 520 | P | 85.7 | Confident | 75.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -78.5 | 37.8 | -171.6 | 33.6 | -34.9 | 0 | 0 | 0 | 113.1 | W517 F534 V535 V540 M541 V552 | W517-P520 WeakPolarHBondContact O-CD 3.47Å; P520-F534 WeakPolarHBondContact O-CA 3.25Å; P520-V535 HydrophobicContact CB-CB 4.09Å; P520-V535 PolarHBondContact O-N 3.44Å; P520-V540 HydrophobicContact CG-CG1 4.06Å; P520-M541 HydrophobicContact CG-SD 4.18Å; P520-V552 HydrophobicContact CB-CG2 3.74Å; P520-V552 HydrophobicContact CG-CG2 4.24Å | ||
| 521 | V | 84.6 | Confident | 74.7 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 26% | 0.255 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 126.1 | -177.7 | 177 | 0 | 0 | 0 | 0 | 110.5 | N519 P532 F534 | N519-V521 PolarHBondContact O-N 3.16Å; N519-V521 WeakPolarHBondContact OD1-CG2 3.32Å; V521-P532 HydrophobicContact CG1-CB 4.3Å; V521-F534 HydrophobicContact CG2-CD1 3.84Å; V521-F534 HydrophobicContact CG2-CE1 3.48Å; V521-F534 VanDerWaalsContact CG2-CE1 3.48Å; V521-F534 HydrophobicContact CG2-CZ 4.41Å |
| 522 | L | 78.9 | Confident | 73.9 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 116.6 | 168.8 | -60.6 | 166.6 | 0 | 0 | 0 | 109.1 | L471 T512 V515 L527 L533 V535 | L471-L522 HydrophobicContact CD1-CD1 4.43Å; T512-L522 HydrophobicContact CG2-CD2 4.1Å; V515-L522 HydrophobicContact CG2-CD2 3.98Å; L522-L527 HydrophobicContact CB-CD1 3.37Å; L522-L527 HydrophobicContact CB-CG 4.38Å; L522-L527 HydrophobicContact CD1-CD1 3.83Å; L522-L527 HydrophobicContact CG-CD1 4.19Å; L522-L533 PolarHBondContact N-O 3.06Å; L522-V535 HydrophobicContact CD1-CG2 3.98Å; L522-V535 HydrophobicContact CD2-CG2 4Å; L522-V535 HydrophobicContact CG-CG2 3.88Å |
| 523 | T | 69.6 | Low | 73.6 | Confident | 70 Ų | 70 | 61 Ų | 61 | 43% | 0.429 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 152.1 | -178.2 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | E525 F526 | T523-E525 PolarHBondContact O-N 3.25Å; T523-F526 PolarHBondContact O-N 3.31Å; T523-F526 WeakPolarHBondContact OG1-CD2 3.33Å; T523-F526 VanDerWaalsContact OG1-CE2 3.25Å; T523-F526 WeakPolarHBondContact OG1-CE2 3.36Å |
| 524 | K | 63.4 | Low | 73.4 | Confident | 130 Ų | 130 | 62.9 Ų | 62.9 | 57% | 0.565 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -52.8 | -31.5 | -175.8 | -67.5 | -171.6 | 171.9 | -166.4 | 0 | 113.8 | F526 L527 G528 N530 | K524-F526 PolarHBondContact O-N 2.92Å; K524-L527 PolarHBondContact O-N 2.99Å; K524-G528 PolarHBondContact O-N 3.34Å; K524-G528 VanDerWaalsContact O-N 3.15Å; K524-N530 WeakPolarHBondContact CE-O 3.43Å; K524-N530 PolarHBondContact NZ-O 3.33Å |
| 525 | E | 59.1 | Low | 73.2 | Confident | 174 Ų | 174 | 61.6 Ų | 61.6 | 81% | 0.813 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -58.1 | -28.2 | 179.5 | -65.2 | 177.3 | -179.2 | 0 | 0 | 112.9 | T523 | T523-E525 PolarHBondContact O-N 3.25Š|
| 526 | F | 55.3 | Low | 73.1 | Confident | 77 Ų | 77 | 60.5 Ų | 60.5 | 34% | 0.338 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -89.3 | -18.8 | -177 | -67.1 | -77.9 | 0 | 0 | 0 | 114.4 | Y508 A511 T523 K524 | Y508-F526 AromaticContact CD1-CD1 3.81Å; Y508-F526 HydrophobicContact CD1-CD1 3.81Å; Y508-F526 HydrophobicContact CD1-CE1 4.01Å; A511-F526 HydrophobicContact CB-CE1 4.27Å; T523-F526 PolarHBondContact O-N 3.31Å; T523-F526 WeakPolarHBondContact OG1-CD2 3.33Å; T523-F526 VanDerWaalsContact OG1-CE2 3.25Å; T523-F526 WeakPolarHBondContact OG1-CE2 3.36Å; K524-F526 PolarHBondContact O-N 2.92Å |
| 527 | L | 57.4 | Low | 73.1 | Confident | 32 Ų | 32 | 58.4 Ų | 58.4 | 17% | 0.168 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | -18.5 | -159.7 | -59.3 | 175.7 | 0 | 0 | 0 | 115.3 | I468 L522 K524 A529 L533 | I468-L527 HydrophobicContact CB-CD2 4.44Å; I468-L527 HydrophobicContact CD1-CB 4.28Å; I468-L527 HydrophobicContact CD1-CD2 3.34Å; I468-L527 HydrophobicContact CD1-CG 4.37Å; I468-L527 HydrophobicContact CG1-CD2 3.43Å; I468-L527 VanDerWaalsContact CG1-CD2 3.43Å; I468-L527 HydrophobicContact CG2-CD2 4.21Å; L522-L527 HydrophobicContact CB-CD1 3.37Å; L522-L527 HydrophobicContact CB-CG 4.38Å; L522-L527 HydrophobicContact CD1-CD1 3.83Å; L522-L527 HydrophobicContact CG-CD1 4.19Å; K524-L527 PolarHBondContact O-N 2.99Å; L527-A529 HydrophobicContact CB-CB 4.19Å; L527-A529 PolarHBondContact O-N 3.31Å; L527-A529 VanDerWaalsContact O-N 3.11Å; L527-L533 HydrophobicContact CD1-CB 4.09Å; L527-L533 HydrophobicContact CD1-CD1 3.78Å; L527-L533 HydrophobicContact CD1-CG 4.49Å |
| 528 | G | 54.1 | Low | 72.9 | Confident | 72 Ų | 72 | 61.7 Ų | 61.7 | 74% | 0.742 | 35% | 0.347 | S | S | * | . | trans | 62.5 | 13 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K524 | K524-G528 PolarHBondContact O-N 3.34Å; K524-G528 VanDerWaalsContact O-N 3.15Å | ||
| 529 | A | 58.2 | Low | 72.8 | Confident | 28 Ų | 28 | 61.3 Ų | 61.3 | 23% | 0.231 | 35% | 0.353 | C | S | . | . | trans | -78.7 | 144.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | L527 S531 L533 | L527-A529 HydrophobicContact CB-CB 4.19Å; L527-A529 PolarHBondContact O-N 3.31Å; L527-A529 VanDerWaalsContact O-N 3.11Å; A529-S531 VanDerWaalsContact C-N 3.32Å; A529-S531 PolarHBondContact O-N 3.01Å; A529-L533 HydrophobicContact CB-CD1 3.72Å; A529-L533 HydrophobicContact CB-CG 4.33Å | ||
| 530 | N | 60.2 | Low | 72.7 | Confident | 156 Ų | 156 | 57.2 Ų | 57.2 | 83% | 0.834 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -69.6 | -30 | -179.1 | -74.5 | -25.5 | 0 | 0 | 0 | 112.7 | K524 | K524-N530 WeakPolarHBondContact CE-O 3.43Å; K524-N530 PolarHBondContact NZ-O 3.33Å |
| 531 | S | 64.5 | Low | 72.4 | Confident | 60 Ų | 60 | 61.5 Ų | 61.5 | 42% | 0.42 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -114.3 | 152.9 | 179.8 | 49.6 | 0 | 0 | 0 | 0 | 111.9 | A529 L533 | A529-S531 VanDerWaalsContact C-N 3.32Å; A529-S531 PolarHBondContact O-N 3.01Å; S531-L533 PolarHBondContact O-N 3.27Å |
| 532 | P | 70.8 | Confident | 72.2 | Confident | 69 Ų | 69 | 64.1 Ų | 64.1 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | trans | -64.2 | 126.3 | 169.8 | 27.7 | -32.4 | 0 | 0 | 0 | 109.6 | V521 | V521-P532 HydrophobicContact CG1-CB 4.3Š| ||
| 533 | L | 80.5 | Confident | 72.3 | Confident | 35 Ų | 35 | 65.4 Ų | 65.4 | 18% | 0.183 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 144.9 | 177.3 | -72.9 | 166.2 | 0 | 0 | 0 | 110 | I468 V472 L522 L527 A529 S531 | I468-L533 HydrophobicContact CG2-CD1 3.85Å; V472-L533 HydrophobicContact CG2-CB 4.38Å; V472-L533 HydrophobicContact CG2-CD2 4.29Å; L522-L533 PolarHBondContact N-O 3.06Å; L527-L533 HydrophobicContact CD1-CB 4.09Å; L527-L533 HydrophobicContact CD1-CD1 3.78Å; L527-L533 HydrophobicContact CD1-CG 4.49Å; A529-L533 HydrophobicContact CB-CD1 3.72Å; A529-L533 HydrophobicContact CB-CG 4.33Å; S531-L533 PolarHBondContact O-N 3.27Å |
| 534 | F | 85.2 | Confident | 72.9 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 17% | 0.171 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133 | 179.8 | -61.5 | -86.9 | 0 | 0 | 0 | 110.6 | P520 V521 G536 G537 E538 M541 | P520-F534 WeakPolarHBondContact O-CA 3.25Å; V521-F534 HydrophobicContact CG2-CD1 3.84Å; V521-F534 HydrophobicContact CG2-CE1 3.48Å; V521-F534 VanDerWaalsContact CG2-CE1 3.48Å; V521-F534 HydrophobicContact CG2-CZ 4.41Å; F534-G536 PolarHBondContact O-N 2.98Å; F534-G537 WeakPolarHBondContact CB-O 3.5Å; F534-G537 PolarHBondContact O-N 3.06Å; F534-E538 HydrophobicContact CD2-CG 4.38Å; F534-M541 HydrophobicContact CD1-CG 3.61Å; F534-M541 HydrophobicContact CD1-SD 4.05Å; F534-M541 HydrophobicContact CE1-CE 4.47Å; F534-M541 HydrophobicContact CE1-CG 3.46Å; F534-M541 VanDerWaalsContact CE1-CG 3.46Å; F534-M541 HydrophobicContact CE1-SD 3.93Å; F534-M541 HydrophobicContact CG-CG 4.32Å; F534-M541 HydrophobicContact CZ-CG 4.09Å |
| 535 | V | 86.1 | Confident | 73.6 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.006 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 121.4 | 173.1 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | L471 P520 L522 V552 A555 | L471-V535 HydrophobicContact CD2-CG1 4.35Å; P520-V535 HydrophobicContact CB-CB 4.09Å; P520-V535 PolarHBondContact O-N 3.44Å; L522-V535 HydrophobicContact CD1-CG2 3.98Å; L522-V535 HydrophobicContact CD2-CG2 4Å; L522-V535 HydrophobicContact CG-CG2 3.88Å; V535-V552 HydrophobicContact CG1-CG1 4.1Å; V535-A555 HydrophobicContact CG1-CB 3.61Å |
| 536 | G | 84.2 | Confident | 74.4 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 2.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L471 V472 T474 F534 V540 | L471-G536 PolarHBondContact O-N 3.43Å; V472-G536 CarbonylContact O-C 3.41Å; T474-G536 WeakPolarHBondContact CG2-O 3.48Å; F534-G536 PolarHBondContact O-N 2.98Å; G536-V540 VanDerWaalsContact O-CG2 3.23Å; G536-V540 WeakPolarHBondContact O-CG2 3.39Å |
| 537 | G | 85.2 | Confident | 75.6 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | trans | 102.3 | 165.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V472 F534 G539 V540 | V472-G537 VanDerWaalsContact O-CA 3.3Å; V472-G537 WeakPolarHBondContact O-CA 3.32Å; V472-G537 PolarHBondContact O-N 2.71Å; F534-G537 WeakPolarHBondContact CB-O 3.5Å; F534-G537 PolarHBondContact O-N 3.06Å; G537-G539 VanDerWaalsContact C-N 3.25Å; G537-G539 PolarHBondContact O-N 2.71Å; G537-V540 WeakPolarHBondContact O-CB 3.34Å; G537-V540 WeakPolarHBondContact O-CG2 3.41Å; G537-V540 PolarHBondContact O-N 3.06Å | ||
| 538 | E | 79.4 | Confident | 76.9 | Confident | 145 Ų | 145 | 60.8 Ų | 60.8 | 68% | 0.678 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -62 | -30.8 | -176.4 | -67.3 | -173.9 | 165.3 | 0 | 0 | 113.3 | F534 V540 | F534-E538 HydrophobicContact CD2-CG 4.38Å; E538-V540 PolarHBondContact O-N 2.98Å |
| 539 | G | 80.4 | Confident | 78.3 | Confident | 56 Ų | 56 | 59.1 Ų | 59.1 | 58% | 0.577 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -66.3 | -16.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G537 M541 A542 A543 | G537-G539 VanDerWaalsContact C-N 3.25Å; G537-G539 PolarHBondContact O-N 2.71Å; G539-M541 PolarHBondContact O-N 3.21Å; G539-A542 PolarHBondContact O-N 3.44Å; G539-A543 PolarHBondContact O-N 3.21Å |
| 540 | V | 83.5 | Confident | 79.6 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 4% | 0.036 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -63.3 | -28.8 | -176.3 | 173.5 | 0 | 0 | 0 | 0 | 112.6 | P520 G536 G537 E538 A542 A543 R548 T551 V552 | P520-V540 HydrophobicContact CG-CG1 4.06Å; G536-V540 VanDerWaalsContact O-CG2 3.23Å; G536-V540 WeakPolarHBondContact O-CG2 3.39Å; G537-V540 WeakPolarHBondContact O-CB 3.34Å; G537-V540 WeakPolarHBondContact O-CG2 3.41Å; G537-V540 PolarHBondContact O-N 3.06Å; E538-V540 PolarHBondContact O-N 2.98Å; V540-A542 VanDerWaalsContact C-N 3.29Å; V540-A542 PolarHBondContact O-N 3.17Å; V540-A543 PolarHBondContact O-N 3.16Å; V540-R548 HydrophobicContact CG1-CB 4.22Å; V540-R548 HydrophobicContact CG1-CG 3.63Å; V540-T551 HydrophobicContact CG2-CG2 3.74Å; V540-V552 HydrophobicContact CG1-CG2 4.07Å |
| 541 | M | 80 | Confident | 80.8 | Confident | 90 Ų | 90 | 55 Ų | 55 | 44% | 0.443 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -75 | -18.6 | 177.9 | -67.6 | -62.2 | -70.7 | 0 | 0 | 113.5 | P520 F534 G539 | P520-M541 HydrophobicContact CG-SD 4.18Å; F534-M541 HydrophobicContact CD1-CG 3.61Å; F534-M541 HydrophobicContact CD1-SD 4.05Å; F534-M541 HydrophobicContact CE1-CE 4.47Å; F534-M541 HydrophobicContact CE1-CG 3.46Å; F534-M541 VanDerWaalsContact CE1-CG 3.46Å; F534-M541 HydrophobicContact CE1-SD 3.93Å; F534-M541 HydrophobicContact CG-CG 4.32Å; F534-M541 HydrophobicContact CZ-CG 4.09Å; G539-M541 PolarHBondContact O-N 3.21Å |
| 542 | A | 81.3 | Confident | 82 | Confident | 96 Ų | 96 | 52.2 Ų | 52.2 | 79% | 0.793 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -94.1 | -9.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | G539 V540 | G539-A542 PolarHBondContact O-N 3.44Å; V540-A542 VanDerWaalsContact C-N 3.29Å; V540-A542 PolarHBondContact O-N 3.17Å |
| 543 | A | 80.6 | Confident | 82.9 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 26% | 0.264 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -76.1 | 159.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | G539 V540 E547 R548 | G539-A543 PolarHBondContact O-N 3.21Å; V540-A543 PolarHBondContact O-N 3.16Å; A543-E547 HydrophobicContact CB-CB 3.94Å; A543-R548 HydrophobicContact CB-CB 4.48Å |
| 544 | S | 82.4 | Confident | 83.3 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 41% | 0.413 | 29% | 0.294 | S | S | . | . | trans | -63.2 | 158.8 | 169.5 | 64 | 0 | 0 | 0 | 0 | 111.3 | L546 E547 R548 | S544-L546 PolarHBondContact O-N 3.03Å; S544-L546 VanDerWaalsContact O-N 3.16Å; S544-E547 WeakPolarHBondContact CB-OE2 3.48Å; S544-E547 PolarHBondContact N-OE2 3.42Å; S544-E547 PolarHBondContact O-N 2.92Å; S544-E547 WeakPolarHBondContact OG-CB 3.19Å; S544-E547 VanDerWaalsContact OG-CG 3.25Å; S544-E547 WeakPolarHBondContact OG-CG 3.18Å; S544-E547 PolarHBondContact OG-N 2.9Å; S544-E547 PolarHBondContact OG-OE2 3.44Å; S544-R548 WeakPolarHBondContact O-CB 3.17Å; S544-R548 PolarHBondContact O-N 2.77Å | ||
| 545 | D | 77.5 | Confident | 83.5 | Confident | 99 Ų | 99 | 49.8 Ų | 49.8 | 53% | 0.529 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.7 | -37.9 | -179.1 | -74.3 | -29.8 | 0 | 0 | 0 | 113 | R548 Q549 | D545-R548 IonicContact OD1-CZ 2.69Å; D545-R548 IonicContact OD1-NE 2.6Å; D545-R548 IonicContact OD1-NH2 3.28Å; D545-R548 PolarHBondContact OD1-NH2 2.76Å; D545-Q549 WeakPolarHBondContact O-CB 3.47Å; D545-Q549 PolarHBondContact O-N 3.36Å |
| 546 | L | 76.5 | Confident | 83.8 | Confident | 85 Ų | 85 | 50.2 Ų | 50.2 | 45% | 0.445 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.4 | -47.4 | -180 | -154.5 | 119.4 | 0 | 0 | 0 | 111.8 | S544 R548 Q549 E550 D773 | S544-L546 PolarHBondContact O-N 3.03Å; S544-L546 VanDerWaalsContact O-N 3.16Å; L546-R548 VanDerWaalsContact C-N 3.32Å; L546-R548 PolarHBondContact O-N 3.18Å; L546-Q549 PolarHBondContact O-N 2.86Å; L546-E550 PolarHBondContact O-N 2.95Å; L546-D773 HydrophobicContact CD1-CB 3.79Å; L546-D773 HydrophobicContact CG-CB 4.4Å |
| 547 | E | 80.1 | Confident | 84.1 | Confident | 105 Ų | 105 | 50.8 Ų | 50.8 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.4 | -38 | 176.2 | -71.7 | 165.5 | 156 | 0 | 0 | 111.5 | A543 S544 E550 T551 | A543-E547 HydrophobicContact CB-CB 3.94Å; S544-E547 WeakPolarHBondContact CB-OE2 3.48Å; S544-E547 PolarHBondContact N-OE2 3.42Å; S544-E547 PolarHBondContact O-N 2.92Å; S544-E547 WeakPolarHBondContact OG-CB 3.19Å; S544-E547 VanDerWaalsContact OG-CG 3.25Å; S544-E547 WeakPolarHBondContact OG-CG 3.18Å; S544-E547 PolarHBondContact OG-N 2.9Å; S544-E547 PolarHBondContact OG-OE2 3.44Å; E547-E550 PolarHBondContact O-N 3.23Å; E547-T551 WeakPolarHBondContact O-CB 3.46Å; E547-T551 PolarHBondContact O-N 2.94Å; E547-T551 PolarHBondContact O-OG1 3.37Å |
| 548 | R | 84.6 | Confident | 84.3 | Confident | 38 Ų | 38 | 51.3 Ų | 51.3 | 14% | 0.143 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 175.7 | 172.5 | 166.2 | 66.7 | 167.5 | 4 | 111.4 | S518 V540 A543 S544 D545 L546 E550 T551 V552 | S518-R548 PolarHBondContact O-NH1 2.71Å; V540-R548 HydrophobicContact CG1-CB 4.22Å; V540-R548 HydrophobicContact CG1-CG 3.63Å; A543-R548 HydrophobicContact CB-CB 4.48Å; S544-R548 WeakPolarHBondContact O-CB 3.17Å; S544-R548 PolarHBondContact O-N 2.77Å; D545-R548 IonicContact OD1-CZ 2.69Å; D545-R548 IonicContact OD1-NE 2.6Å; D545-R548 IonicContact OD1-NH2 3.28Å; D545-R548 PolarHBondContact OD1-NH2 2.76Å; L546-R548 VanDerWaalsContact C-N 3.32Å; L546-R548 PolarHBondContact O-N 3.18Å; R548-E550 VanDerWaalsContact C-N 3.32Å; R548-E550 PolarHBondContact O-N 3.43Å; R548-T551 PolarHBondContact O-N 3.13Å; R548-V552 HydrophobicContact CG-CG2 4.49Å; R548-V552 WeakPolarHBondContact O-CB 3.32Å; R548-V552 VanDerWaalsContact O-CG2 3.25Å; R548-V552 WeakPolarHBondContact O-CG2 3.46Å; R548-V552 PolarHBondContact O-N 3.19Å |
| 549 | Q | 84.2 | Confident | 84.9 | Confident | 38 Ų | 38 | 44.4 Ų | 44.4 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 176.7 | -173.5 | -179.2 | 3.8 | 0 | 0 | 111.1 | W517 D545 L546 L553 E739 | W517-Q549 HydrophobicContact CD2-CB 4.26Å; W517-Q549 HydrophobicContact CD2-CG 4.26Å; W517-Q549 HydrophobicContact CE3-CB 4.33Å; W517-Q549 HydrophobicContact CG-CB 4.42Å; W517-Q549 HydrophobicContact CG-CG 4.14Å; D545-Q549 WeakPolarHBondContact O-CB 3.47Å; D545-Q549 PolarHBondContact O-N 3.36Å; L546-Q549 PolarHBondContact O-N 2.86Å; Q549-L553 VanDerWaalsContact O-CB 3.26Å; Q549-L553 WeakPolarHBondContact O-CB 3.25Å; Q549-L553 PolarHBondContact O-N 3.06Å; Q549-E739 PolarHBondContact NE2-OE2 3.46Å |
| 550 | E | 84.6 | Confident | 85.4 | Confident | 59 Ų | 59 | 41.7 Ų | 41.7 | 28% | 0.276 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.8 | -43.5 | 179.8 | -173.2 | 162.8 | -149 | 0 | 0 | 112.6 | L546 E547 R548 L553 Q554 I776 | L546-E550 PolarHBondContact O-N 2.95Å; E547-E550 PolarHBondContact O-N 3.23Å; R548-E550 VanDerWaalsContact C-N 3.32Å; R548-E550 PolarHBondContact O-N 3.43Å; E550-L553 PolarHBondContact O-N 3.41Å; E550-Q554 WeakPolarHBondContact O-CB 3.36Å; E550-Q554 PolarHBondContact O-N 3.18Å; E550-I776 HydrophobicContact CG-CD1 4.18Å |
| 551 | T | 86.3 | Confident | 85.8 | Confident | 38 Ų | 38 | 46.7 Ų | 46.7 | 23% | 0.233 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 179.9 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | V540 E547 R548 Q554 A555 | V540-T551 HydrophobicContact CG2-CG2 3.74Å; E547-T551 WeakPolarHBondContact O-CB 3.46Å; E547-T551 PolarHBondContact O-N 2.94Å; E547-T551 PolarHBondContact O-OG1 3.37Å; R548-T551 PolarHBondContact O-N 3.13Å; T551-Q554 PolarHBondContact O-N 3.22Å; T551-A555 PolarHBondContact O-N 2.78Å |
| 552 | V | 89.2 | Confident | 86.3 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 176.1 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | W517 P520 V535 V540 R548 Q554 A555 K556 | W517-V552 HydrophobicContact CB-CB 4.15Å; W517-V552 HydrophobicContact CB-CG1 4.04Å; W517-V552 HydrophobicContact CB-CG2 4.41Å; P520-V552 HydrophobicContact CB-CG2 3.74Å; P520-V552 HydrophobicContact CG-CG2 4.24Å; V535-V552 HydrophobicContact CG1-CG1 4.1Å; V540-V552 HydrophobicContact CG1-CG2 4.07Å; R548-V552 HydrophobicContact CG-CG2 4.49Å; R548-V552 WeakPolarHBondContact O-CB 3.32Å; R548-V552 VanDerWaalsContact O-CG2 3.25Å; R548-V552 WeakPolarHBondContact O-CG2 3.46Å; R548-V552 PolarHBondContact O-N 3.19Å; V552-Q554 VanDerWaalsContact C-N 3.35Å; V552-Q554 PolarHBondContact O-N 3.34Å; V552-A555 PolarHBondContact O-N 3.09Å; V552-K556 HydrophobicContact CG1-CD 4.35Å; V552-K556 HydrophobicContact CG1-CG 4.45Å; V552-K556 WeakPolarHBondContact O-CG 3.39Å; V552-K556 PolarHBondContact O-N 3.08Å |
| 553 | L | 88.8 | Confident | 86.8 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 177.1 | -176.4 | 63.7 | 0 | 0 | 0 | 111.7 | Q549 E550 A555 K556 V557 I605 W743 I776 I777 | Q549-L553 VanDerWaalsContact O-CB 3.26Å; Q549-L553 WeakPolarHBondContact O-CB 3.25Å; Q549-L553 PolarHBondContact O-N 3.06Å; E550-L553 PolarHBondContact O-N 3.41Å; L553-A555 VanDerWaalsContact C-N 3.32Å; L553-A555 PolarHBondContact O-N 3.2Å; L553-K556 PolarHBondContact O-N 3.06Å; L553-V557 WeakPolarHBondContact O-CG2 3.44Å; L553-V557 PolarHBondContact O-N 3.43Å; L553-I605 HydrophobicContact CD1-CD1 3.9Å; L553-W743 HydrophobicContact CD1-CZ2 3.98Å; L553-I776 HydrophobicContact CD2-CB 4.29Å; L553-I776 HydrophobicContact CD2-CG2 4.4Å; L553-I777 HydrophobicContact CD2-CD1 3.69Å; L553-I777 HydrophobicContact CD2-CG1 3.61Å |
| 554 | Q | 89.5 | Confident | 87.2 | Confident | 84 Ų | 84 | 36.3 Ų | 36.3 | 39% | 0.393 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.8 | -40.4 | 177.3 | -159.2 | -166.7 | 12.3 | 0 | 0 | 111.9 | R479 E550 T551 V552 A558 I776 | R479-Q554 VanDerWaalsContact NH1-CD 3.33Å; E550-Q554 WeakPolarHBondContact O-CB 3.36Å; E550-Q554 PolarHBondContact O-N 3.18Å; T551-Q554 PolarHBondContact O-N 3.22Å; V552-Q554 VanDerWaalsContact C-N 3.35Å; V552-Q554 PolarHBondContact O-N 3.34Å; Q554-A558 WeakPolarHBondContact O-CB 3.37Å; Q554-A558 PolarHBondContact O-N 2.95Å; Q554-I776 HydrophobicContact CB-CD1 3.71Å; Q554-I776 HydrophobicContact CG-CD1 3.99Å |
| 555 | A | 89.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.9 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V535 T551 V552 L553 A558 A559 | V535-A555 HydrophobicContact CG1-CB 3.61Å; T551-A555 PolarHBondContact O-N 2.78Å; V552-A555 PolarHBondContact O-N 3.09Å; L553-A555 VanDerWaalsContact C-N 3.32Å; L553-A555 PolarHBondContact O-N 3.2Å; A555-A558 PolarHBondContact O-N 3.36Å; A555-A559 WeakPolarHBondContact O-CB 3.45Å; A555-A559 PolarHBondContact O-N 3.08Å |
| 556 | K | 91.7 | Very high | 87.9 | Confident | 9 Ų | 9 | 29.9 Ų | 29.9 | 4% | 0.039 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.7 | -46.6 | 174.7 | -73.6 | -177.2 | -178.4 | -166.6 | 0 | 111.9 | L513 V515 V552 L553 A558 A559 A560 E598 I605 | L513-K556 HydrophobicContact CD2-CB 3.86Å; L513-K556 HydrophobicContact CD2-CG 4.06Å; L513-K556 WeakPolarHBondContact CD2-O 3.31Å; L513-K556 WeakPolarHBondContact O-CD 3.35Å; L513-K556 WeakPolarHBondContact O-CE 3.23Å; L513-K556 PolarHBondContact O-NZ 3.35Å; L513-K556 VanDerWaalsContact O-NZ 3.13Å; V515-K556 WeakPolarHBondContact O-CE 3.25Å; V515-K556 PolarHBondContact O-NZ 3.29Å; V552-K556 HydrophobicContact CG1-CD 4.35Å; V552-K556 HydrophobicContact CG1-CG 4.45Å; V552-K556 WeakPolarHBondContact O-CG 3.39Å; V552-K556 PolarHBondContact O-N 3.08Å; L553-K556 PolarHBondContact O-N 3.06Å; K556-A558 VanDerWaalsContact C-N 3.35Å; K556-A558 PolarHBondContact O-N 3.33Å; K556-A559 PolarHBondContact O-N 2.99Å; K556-A560 VanDerWaalsContact O-CB 3.31Å; K556-A560 WeakPolarHBondContact O-CB 3.5Å; K556-A560 PolarHBondContact O-N 3.28Å; K556-E598 IonicContact NZ-OE2 2.66Å; K556-E598 PolarHBondContact NZ-OE2 2.73Å; K556-I605 HydrophobicContact CB-CD1 4.2Å; K556-I605 HydrophobicContact CD-CD1 4.32Å |
| 557 | V | 90.5 | Very high | 88.3 | Confident | 13 Ų | 13 | 25.9 Ų | 25.9 | 8% | 0.079 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 177.1 | 172.4 | 0 | 0 | 0 | 0 | 111 | L553 A560 R561 I605 E609 W743 I776 | L553-V557 WeakPolarHBondContact O-CG2 3.44Å; L553-V557 PolarHBondContact O-N 3.43Å; V557-A560 PolarHBondContact O-N 3Å; V557-R561 WeakPolarHBondContact O-CG 3.43Å; V557-R561 PolarHBondContact O-N 3.32Å; V557-R561 VanDerWaalsContact O-N 3.09Å; V557-I605 HydrophobicContact CG2-CG2 3.98Å; V557-E609 HydrophobicContact CG1-CG 4.1Å; V557-W743 HydrophobicContact CG2-CH2 4.42Å; V557-I776 HydrophobicContact CG2-CG2 4.47Å |
| 558 | A | 89.8 | Confident | 88.4 | Confident | 15 Ų | 15 | 23 Ų | 23 | 12% | 0.124 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N470 Q554 A555 K556 R561 L562 | N470-A558 PolarHBondContact ND2-O 3.31Å; Q554-A558 WeakPolarHBondContact O-CB 3.37Å; Q554-A558 PolarHBondContact O-N 2.95Å; A555-A558 PolarHBondContact O-N 3.36Å; K556-A558 VanDerWaalsContact C-N 3.35Å; K556-A558 PolarHBondContact O-N 3.33Å; A558-R561 PolarHBondContact O-N 3.34Å; A558-L562 PolarHBondContact O-N 2.97Å |
| 559 | A | 91 | Very high | 88.2 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.6 | -36.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F467 N470 L471 L513 A555 K556 R561 L562 L563 | F467-A559 HydrophobicContact CE2-CB 4.13Å; F467-A559 HydrophobicContact CZ-CB 3.95Å; N470-A559 PolarHBondContact ND2-N 3.45Å; L471-A559 HydrophobicContact CD2-CB 3.45Å; L471-A559 VanDerWaalsContact CD2-CB 3.45Å; L471-A559 HydrophobicContact CG-CB 3.95Å; L513-A559 HydrophobicContact CD2-CB 3.77Å; A555-A559 WeakPolarHBondContact O-CB 3.45Å; A555-A559 PolarHBondContact O-N 3.08Å; K556-A559 PolarHBondContact O-N 2.99Å; A559-R561 VanDerWaalsContact C-N 3.31Å; A559-R561 PolarHBondContact O-N 3.35Å; A559-L562 WeakPolarHBondContact O-CB 3.27Å; A559-L562 PolarHBondContact O-N 2.97Å; A559-L562 VanDerWaalsContact O-N 3.13Å; A559-L563 PolarHBondContact O-N 2.91Å; A559-L563 VanDerWaalsContact O-N 3.11Å |
| 560 | A | 92.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.4 | -42.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | L513 K556 V557 L562 L563 V564 I605 V606 E609 | L513-A560 HydrophobicContact CD1-CB 4.34Å; K556-A560 VanDerWaalsContact O-CB 3.31Å; K556-A560 WeakPolarHBondContact O-CB 3.5Å; K556-A560 PolarHBondContact O-N 3.28Å; V557-A560 PolarHBondContact O-N 3Å; A560-L562 VanDerWaalsContact C-N 3.29Å; A560-L562 PolarHBondContact O-N 3.3Å; A560-L563 PolarHBondContact O-N 2.99Å; A560-V564 VanDerWaalsContact O-CG2 3.25Å; A560-V564 WeakPolarHBondContact O-CG2 3.09Å; A560-V564 PolarHBondContact O-N 3.47Å; A560-I605 HydrophobicContact CB-CG2 3.7Å; A560-V606 HydrophobicContact CB-CG2 3.93Å; A560-E609 HydrophobicContact CB-CG 4.49Å |
| 561 | R | 91.5 | Very high | 87.5 | Confident | 110 Ų | 110 | 19.7 Ų | 19.7 | 42% | 0.415 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -58.5 | -36.8 | 174.7 | -72 | 176.5 | -179.6 | 178.2 | 2.3 | 113.5 | F483 V557 A558 A559 L565 E609 M613 | F483-R561 HydrophobicContact CD2-CB 4.32Å; F483-R561 HydrophobicContact CE2-CB 4.04Å; V557-R561 WeakPolarHBondContact O-CG 3.43Å; V557-R561 PolarHBondContact O-N 3.32Å; V557-R561 VanDerWaalsContact O-N 3.09Å; A558-R561 PolarHBondContact O-N 3.34Å; A559-R561 VanDerWaalsContact C-N 3.31Å; A559-R561 PolarHBondContact O-N 3.35Å; R561-L565 PolarHBondContact O-N 3.27Å; R561-E609 HydrophobicContact CG-CB 4.22Å; R561-E609 HydrophobicContact CG-CG 4.17Å; R561-E609 WeakPolarHBondContact CG-OE2 3.49Å; R561-E609 IonicContact CZ-OE2 3.51Å; R561-E609 IonicContact NE-OE2 2.79Å; R561-E609 PolarHBondContact NE-OE2 3.42Å; R561-E609 IonicContact NH2-OE2 2.82Å; R561-E609 PolarHBondContact NH2-OE2 2.8Å; R561-M613 HydrophobicContact CB-SD 4.33Å; R561-M613 HydrophobicContact CG-SD 4.27Å |
| 562 | L | 91.4 | Very high | 87 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.4 | -42.6 | 175.8 | -61.3 | -177 | 0 | 0 | 0 | 111.7 | F467 N470 I482 F483 W486 A558 A559 A560 V564 L565 | F467-L562 HydrophobicContact CD2-CB 4.31Å; F467-L562 HydrophobicContact CD2-CD1 4.15Å; F467-L562 HydrophobicContact CE2-CB 4.42Å; N470-L562 HydrophobicContact CB-CD1 3.66Å; N470-L562 WeakPolarHBondContact ND2-CD1 3.45Å; I482-L562 HydrophobicContact CG2-CD1 4.43Å; F483-L562 HydrophobicContact CB-CD2 4.24Å; F483-L562 HydrophobicContact CD2-CD2 3.79Å; F483-L562 HydrophobicContact CG-CD2 4.45Å; W486-L562 HydrophobicContact CB-CD2 3.82Å; W486-L562 HydrophobicContact CD2-CB 4.28Å; W486-L562 HydrophobicContact CD2-CD1 4.43Å; W486-L562 HydrophobicContact CD2-CD2 4.13Å; W486-L562 HydrophobicContact CE3-CD1 4.45Å; W486-L562 HydrophobicContact CG-CB 4.44Å; W486-L562 HydrophobicContact CG-CD2 3.67Å; W486-L562 HydrophobicContact CG-CG 4.5Å; W486-L562 HydrophobicContact CZ2-CB 4.22Å; W486-L562 PolarHBondContact NE1-O 2.89Å; A558-L562 PolarHBondContact O-N 2.97Å; A559-L562 WeakPolarHBondContact O-CB 3.27Å; A559-L562 PolarHBondContact O-N 2.97Å; A559-L562 VanDerWaalsContact O-N 3.13Å; A560-L562 VanDerWaalsContact C-N 3.29Å; A560-L562 PolarHBondContact O-N 3.3Å; L562-V564 VanDerWaalsContact C-N 3.34Å; L562-L565 PolarHBondContact O-N 3.45Å |
| 563 | L | 90.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.1 | -41.3 | 176.7 | -69.1 | -177.5 | 0 | 0 | 0 | 112 | F467 W509 L510 L513 A559 A560 L565 L566 F567 V606 | F467-L563 HydrophobicContact CE2-CD2 3.73Å; F467-L563 HydrophobicContact CE2-CG 3.82Å; F467-L563 HydrophobicContact CZ-CD1 4.43Å; F467-L563 HydrophobicContact CZ-CD2 4.19Å; F467-L563 HydrophobicContact CZ-CG 4.22Å; W509-L563 HydrophobicContact CB-CD2 3.86Å; W509-L563 HydrophobicContact CE3-CD2 4.15Å; L510-L563 HydrophobicContact CD1-CD1 4.23Å; L513-L563 HydrophobicContact CD1-CD1 3.62Å; A559-L563 PolarHBondContact O-N 2.91Å; A559-L563 VanDerWaalsContact O-N 3.11Å; A560-L563 PolarHBondContact O-N 2.99Å; L563-L565 VanDerWaalsContact C-N 3.28Å; L563-L565 PolarHBondContact O-N 2.81Å; L563-L566 WeakPolarHBondContact O-CB 3.23Å; L563-L566 PolarHBondContact O-N 3.07Å; L563-F567 HydrophobicContact CB-CE1 4.21Å; L563-F567 HydrophobicContact CB-CE2 4.13Å; L563-F567 HydrophobicContact CB-CZ 3.91Å; L563-F567 HydrophobicContact CD1-CZ 4.32Å; L563-F567 HydrophobicContact CD2-CE1 4.49Å; L563-F567 HydrophobicContact CG-CZ 4.48Å; L563-F567 VanDerWaalsContact O-CD1 3.24Å; L563-F567 WeakPolarHBondContact O-CD1 3.3Å; L563-F567 VanDerWaalsContact O-CG 3.22Å; L563-F567 WeakPolarHBondContact O-CG 3.4Å; L563-F567 PolarHBondContact O-N 3.5Å; L563-V606 HydrophobicContact CD1-CG2 4.5Å |
| 564 | V | 88.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.3 | -42.5 | 179 | 163.7 | 0 | 0 | 0 | 0 | 111.8 | A560 L562 L566 F567 E568 E609 W610 M613 | A560-V564 VanDerWaalsContact O-CG2 3.25Å; A560-V564 WeakPolarHBondContact O-CG2 3.09Å; A560-V564 PolarHBondContact O-N 3.47Å; L562-V564 VanDerWaalsContact C-N 3.34Å; V564-L566 VanDerWaalsContact C-N 3.28Å; V564-L566 PolarHBondContact O-N 3.02Å; V564-F567 PolarHBondContact O-N 3.09Å; V564-F567 VanDerWaalsContact O-N 3.15Å; V564-E568 WeakPolarHBondContact O-CB 3.43Å; V564-E568 PolarHBondContact O-N 3.36Å; V564-E609 HydrophobicContact CG2-CB 4.32Å; V564-W610 HydrophobicContact CG1-CB 4.05Å; V564-W610 HydrophobicContact CG1-CG 3.95Å; V564-W610 HydrophobicContact CG2-CB 3.75Å; V564-W610 HydrophobicContact CG2-CG 4.25Å; V564-M613 HydrophobicContact CB-SD 4.38Å; V564-M613 HydrophobicContact CG1-CB 4.16Å; V564-M613 HydrophobicContact CG1-SD 3.88Å |
| 565 | L | 88 | Confident | 82.6 | Confident | 22 Ų | 22 | 37 Ų | 37 | 12% | 0.115 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.7 | -36.4 | 177 | -70.6 | 172.5 | 0 | 0 | 0 | 112.7 | F483 S487 I490 R561 L562 L563 V569 M613 | F483-L565 HydrophobicContact CD2-CD1 4.11Å; F483-L565 HydrophobicContact CE1-CD1 4.5Å; F483-L565 HydrophobicContact CE2-CD1 3.47Å; F483-L565 VanDerWaalsContact CE2-CD1 3.47Å; F483-L565 HydrophobicContact CE2-CG 4.18Å; F483-L565 HydrophobicContact CZ-CD1 3.7Å; F483-L565 HydrophobicContact CZ-CD2 4.48Å; F483-L565 HydrophobicContact CZ-CG 4.35Å; S487-L565 VanDerWaalsContact OG-CD1 3.24Å; S487-L565 WeakPolarHBondContact OG-CD1 3.32Å; I490-L565 HydrophobicContact CD1-CB 3.7Å; R561-L565 PolarHBondContact O-N 3.27Å; L562-L565 PolarHBondContact O-N 3.45Å; L563-L565 VanDerWaalsContact C-N 3.28Å; L563-L565 PolarHBondContact O-N 2.81Å; L565-V569 PolarHBondContact O-N 3.02Å; L565-M613 HydrophobicContact CD2-CE 3.52Å; L565-M613 HydrophobicContact CG-CE 3.87Å |
| 566 | L | 86.7 | Confident | 80.6 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.1 | -42.7 | 173.8 | -69.2 | 175.7 | 0 | 0 | 0 | 111.2 | M463 W486 I490 L498 V502 W509 L563 V564 E568 V569 I570 | M463-L566 HydrophobicContact CE-CD2 4.07Å; W486-L566 HydrophobicContact CH2-CD1 4.45Å; W486-L566 HydrophobicContact CZ2-CD1 3.53Å; W486-L566 HydrophobicContact CZ2-CG 4.05Å; I490-L566 HydrophobicContact CD1-CD2 3.52Å; I490-L566 HydrophobicContact CD1-CG 3.94Å; I490-L566 HydrophobicContact CG1-CD2 3.78Å; L498-L566 HydrophobicContact CD1-CD2 4.27Å; L498-L566 HydrophobicContact CD2-CD2 4.16Å; L498-L566 HydrophobicContact CG-CD2 4.42Å; V502-L566 HydrophobicContact CG1-CD1 3.96Å; V502-L566 HydrophobicContact CG2-CD1 4.33Å; V502-L566 HydrophobicContact CG2-CD2 4.05Å; W509-L566 HydrophobicContact CE3-CD1 4.09Å; W509-L566 HydrophobicContact CZ3-CD1 3.59Å; L563-L566 WeakPolarHBondContact O-CB 3.23Å; L563-L566 PolarHBondContact O-N 3.07Å; V564-L566 VanDerWaalsContact C-N 3.28Å; V564-L566 PolarHBondContact O-N 3.02Å; L566-E568 VanDerWaalsContact C-N 3.31Å; L566-E568 PolarHBondContact O-N 2.88Å; L566-V569 PolarHBondContact O-N 3.13Å; L566-I570 WeakPolarHBondContact O-CD1 3.39Å; L566-I570 VanDerWaalsContact O-CG1 3.24Å; L566-I570 WeakPolarHBondContact O-CG1 3.39Å; L566-I570 PolarHBondContact O-N 2.05Å |
| 567 | F | 84.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.2 | -36.4 | -178.3 | -65.2 | -2.5 | 0 | 0 | 0 | 111.7 | L506 L563 V564 I570 S571 L584 L588 V606 W610 | L506-F567 HydrophobicContact CD1-CD1 3.95Å; L506-F567 HydrophobicContact CD1-CE1 3.46Å; L506-F567 VanDerWaalsContact CD1-CE1 3.46Å; L506-F567 HydrophobicContact CD2-CE1 3.81Å; L506-F567 HydrophobicContact CD2-CZ 4.13Å; L506-F567 HydrophobicContact CG-CE1 3.66Å; L506-F567 HydrophobicContact CG-CZ 4.34Å; L563-F567 HydrophobicContact CB-CE1 4.21Å; L563-F567 HydrophobicContact CB-CE2 4.13Å; L563-F567 HydrophobicContact CB-CZ 3.91Å; L563-F567 HydrophobicContact CD1-CZ 4.32Å; L563-F567 HydrophobicContact CD2-CE1 4.49Å; L563-F567 HydrophobicContact CG-CZ 4.48Å; L563-F567 VanDerWaalsContact O-CD1 3.24Å; L563-F567 WeakPolarHBondContact O-CD1 3.3Å; L563-F567 VanDerWaalsContact O-CG 3.22Å; L563-F567 WeakPolarHBondContact O-CG 3.4Å; L563-F567 PolarHBondContact O-N 3.5Å; V564-F567 PolarHBondContact O-N 3.09Å; V564-F567 VanDerWaalsContact O-N 3.15Å; F567-I570 HydrophobicContact CD1-CD1 4.33Å; F567-I570 PolarHBondContact O-N 2.86Å; F567-S571 VanDerWaalsContact O-CB 3.27Å; F567-S571 WeakPolarHBondContact O-CB 3.48Å; F567-S571 PolarHBondContact O-N 3.28Å; F567-S571 PolarHBondContact O-OG 3.38Å; F567-L584 HydrophobicContact CB-CD2 3.91Å; F567-L584 HydrophobicContact CD1-CD1 3.87Å; F567-L584 HydrophobicContact CD1-CD2 4.1Å; F567-L584 HydrophobicContact CD2-CD1 4.33Å; F567-L584 HydrophobicContact CE1-CD1 3.84Å; F567-L584 HydrophobicContact CE2-CD1 4.24Å; F567-L584 HydrophobicContact CG-CD1 4.15Å; F567-L584 HydrophobicContact CG-CD2 3.94Å; F567-L584 HydrophobicContact CZ-CD1 4.01Å; F567-L588 HydrophobicContact CE2-CD2 4.38Å; F567-V606 HydrophobicContact CD2-CG1 4.06Å; F567-V606 HydrophobicContact CE2-CG1 3.65Å; F567-W610 HydrophobicContact CB-CD2 4.44Å; F567-W610 HydrophobicContact CB-CE3 4.15Å; F567-W610 HydrophobicContact CB-CH2 3.51Å; F567-W610 HydrophobicContact CB-CZ2 3.79Å; F567-W610 HydrophobicContact CB-CZ3 3.69Å; F567-W610 AromaticContact CD2-CE3 3.99Å; F567-W610 HydrophobicContact CD2-CE3 3.99Å; F567-W610 HydrophobicContact CD2-CH2 4.45Å; F567-W610 AromaticContact CD2-CZ3 3.77Å; F567-W610 HydrophobicContact CD2-CZ3 3.77Å; F567-W610 HydrophobicContact CG-CH2 4.38Å; F567-W610 HydrophobicContact CG-CZ3 4.16Å |
| 568 | E | 81.4 | Confident | 77.2 | Confident | 44 Ų | 44 | 47 Ų | 47 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.8 | -50 | 172.3 | -171 | -175.1 | 164.7 | 0 | 0 | 110.9 | V564 L566 S571 R572 | V564-E568 WeakPolarHBondContact O-CB 3.43Å; V564-E568 PolarHBondContact O-N 3.36Å; L566-E568 VanDerWaalsContact C-N 3.31Å; L566-E568 PolarHBondContact O-N 2.88Å; E568-S571 PolarHBondContact O-N 3.33Å; E568-S571 PolarHBondContact O-OG 3.03Å; E568-R572 WeakPolarHBondContact O-CG 3.43Å; E568-R572 PolarHBondContact O-N 2.87Å; E568-R572 VanDerWaalsContact O-N 3.1Å; E568-R572 IonicContact OE1-CZ 3.17Å; E568-R572 IonicContact OE1-NH1 3.23Å; E568-R572 PolarHBondContact OE1-NH1 3.49Å; E568-R572 IonicContact OE1-NH2 2.79Å; E568-R572 PolarHBondContact OE1-NH2 2.96Å |
| 569 | V | 80.6 | Confident | 76.2 | Confident | 35 Ų | 35 | 51.1 Ų | 51.1 | 21% | 0.212 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 178.7 | 176.6 | 0 | 0 | 0 | 0 | 112.1 | I490 P495 L498 L565 L566 S571 R572 A573 | I490-V569 HydrophobicContact CG2-CB 4.44Å; I490-V569 HydrophobicContact CG2-CG2 3.45Å; I490-V569 VanDerWaalsContact CG2-CG2 3.45Å; P495-V569 HydrophobicContact CB-CG1 3.93Å; P495-V569 HydrophobicContact CG-CG1 4.28Å; L498-V569 HydrophobicContact CD2-CG1 4.11Å; L565-V569 PolarHBondContact O-N 3.02Å; L566-V569 PolarHBondContact O-N 3.13Å; V569-S571 VanDerWaalsContact C-N 3.27Å; V569-S571 PolarHBondContact O-N 3.23Å; V569-R572 PolarHBondContact O-N 3.24Å; V569-A573 PolarHBondContact O-N 3.39Å |
| 570 | I | 79.3 | Confident | 75.2 | Confident | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.072 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 177 | -67.1 | 163 | 0 | 0 | 0 | 110.8 | I499 V502 L506 L566 F567 V580 L584 | I499-I570 HydrophobicContact CG1-CG1 4.08Å; V502-I570 HydrophobicContact CG1-CD1 4.41Å; L506-I570 HydrophobicContact CD1-CD1 3.55Å; L566-I570 WeakPolarHBondContact O-CD1 3.39Å; L566-I570 VanDerWaalsContact O-CG1 3.24Å; L566-I570 WeakPolarHBondContact O-CG1 3.39Å; L566-I570 PolarHBondContact O-N 2.05Å; F567-I570 HydrophobicContact CD1-CD1 4.33Å; F567-I570 PolarHBondContact O-N 2.86Å; I570-V580 HydrophobicContact CG2-CG1 3.8Å; I570-L584 HydrophobicContact CB-CD2 4.42Å; I570-L584 HydrophobicContact CG2-CD2 4.1Å |
| 571 | S | 75.8 | Confident | 74.1 | Confident | 18 Ų | 18 | 54.4 Ų | 54.4 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.7 | -34.1 | -178.6 | 69.6 | 0 | 0 | 0 | 0 | 113.6 | F567 E568 V569 F620 | F567-S571 VanDerWaalsContact O-CB 3.27Å; F567-S571 WeakPolarHBondContact O-CB 3.48Å; F567-S571 PolarHBondContact O-N 3.28Å; F567-S571 PolarHBondContact O-OG 3.38Å; E568-S571 PolarHBondContact O-N 3.33Å; E568-S571 PolarHBondContact O-OG 3.03Å; V569-S571 VanDerWaalsContact C-N 3.27Å; V569-S571 PolarHBondContact O-N 3.23Å; S571-F620 WeakPolarHBondContact OG-CZ 3.44Å |
| 572 | R | 75.3 | Confident | 73.3 | Confident | 123 Ų | 123 | 51.9 Ų | 51.9 | 46% | 0.464 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -89 | -6.9 | -177.2 | -68.6 | 178.8 | -178.9 | 172.9 | 1.1 | 114.3 | E568 V569 E574 D614 | E568-R572 WeakPolarHBondContact O-CG 3.43Å; E568-R572 PolarHBondContact O-N 2.87Å; E568-R572 VanDerWaalsContact O-N 3.1Å; E568-R572 IonicContact OE1-CZ 3.17Å; E568-R572 IonicContact OE1-NH1 3.23Å; E568-R572 PolarHBondContact OE1-NH1 3.49Å; E568-R572 IonicContact OE1-NH2 2.79Å; E568-R572 PolarHBondContact OE1-NH2 2.96Å; V569-R572 PolarHBondContact O-N 3.24Å; R572-E574 PolarHBondContact O-N 3.37Å; R572-D614 IonicContact CZ-OD2 2.86Å; R572-D614 IonicContact NE-OD2 3.43Å; R572-D614 IonicContact NH2-OD1 3.97Å; R572-D614 PolarHBondContact NH2-OD1 3.05Å; R572-D614 IonicContact NH2-OD2 2.78Å; R572-D614 PolarHBondContact NH2-OD2 3.25Å |
| 573 | A | 69.5 | Low | 72.6 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 20% | 0.198 | 31% | 0.31 | C | S | . | . | trans | -73.4 | 64.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I499 V569 N575 | I499-A573 HydrophobicContact CD1-CB 3.73Å; V569-A573 PolarHBondContact O-N 3.39Å; A573-N575 PolarHBondContact O-N 3.26Å; A573-N575 VanDerWaalsContact O-N 3.12Å | ||
| 574 | E | 53.4 | Low | 72.2 | Confident | 178 Ų | 178 | 54 Ų | 54 | 83% | 0.832 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -17.4 | -173.7 | -75.4 | -171.4 | 152.4 | 0 | 0 | 114.3 | R572 | R572-E574 PolarHBondContact O-N 3.37Š|
| 575 | N | 53.1 | Low | 71.9 | Confident | 170 Ų | 170 | 54.8 Ų | 54.8 | 91% | 0.909 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -12.1 | -172.6 | -71.2 | -22.2 | 0 | 0 | 0 | 115.5 | A573 | A573-N575 PolarHBondContact O-N 3.26Å; A573-N575 VanDerWaalsContact O-N 3.12Å |
| 576 | A | 46.9 | Very low | 71.7 | Confident | 41 Ų | 41 | 57.1 Ų | 57.1 | 34% | 0.339 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -44.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T496 | T496-A576 HydrophobicContact CG2-CB 3.92Š|
| 577 | N | 50.1 | Low | 71.7 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | trans | -161.7 | 96.7 | -177.1 | -78.4 | -52.3 | 0 | 0 | 0 | 112.4 | V579 V580 | N577-V579 PolarHBondContact O-N 3.38Å; N577-V580 HydrophobicContact CB-CB 4.16Å; N577-V580 HydrophobicContact CB-CG2 3.63Å; N577-V580 PolarHBondContact O-N 3.4Å | ||
| 578 | S | 61.1 | Low | 71.9 | Confident | 99 Ų | 99 | 59.4 Ų | 59.4 | 69% | 0.692 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -55.1 | -20.1 | 167.5 | 63.3 | 0 | 0 | 0 | 0 | 112.9 | S581 S582 | S578-S581 PolarHBondContact O-OG 3.27Å; S578-S582 WeakPolarHBondContact O-CB 3.39Å; S578-S582 PolarHBondContact O-N 3.37Å; S578-S582 PolarHBondContact O-OG 3.26Å |
| 579 | V | 68 | Low | 72.2 | Confident | 103 Ų | 103 | 59 Ų | 59 | 62% | 0.624 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -69 | -34.9 | 175.5 | -174.1 | 0 | 0 | 0 | 0 | 112.5 | N577 S582 G583 | N577-V579 PolarHBondContact O-N 3.38Å; V579-S582 WeakPolarHBondContact CA-OG 3.37Å; V579-S582 PolarHBondContact O-OG 3.18Å; V579-G583 PolarHBondContact O-N 3.05Å |
| 580 | V | 69.4 | Low | 72.5 | Confident | 38 Ų | 38 | 63.5 Ų | 63.5 | 23% | 0.23 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -78.5 | -43.7 | -175.8 | 178.8 | 0 | 0 | 0 | 0 | 111 | I499 I570 N577 G583 L584 | I499-V580 HydrophobicContact CG2-CG1 3.95Å; I499-V580 HydrophobicContact CG2-CG2 4.28Å; I570-V580 HydrophobicContact CG2-CG1 3.8Å; N577-V580 HydrophobicContact CB-CB 4.16Å; N577-V580 HydrophobicContact CB-CG2 3.63Å; N577-V580 PolarHBondContact O-N 3.4Å; V580-G583 PolarHBondContact O-N 3.3Å; V580-L584 PolarHBondContact O-N 3.38Å |
| 581 | S | 70.1 | Confident | 73 | Confident | 31 Ų | 31 | 64 Ų | 64 | 22% | 0.217 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 176.2 | 58.4 | 0 | 0 | 0 | 0 | 111.4 | S578 G583 L584 F585 | S578-S581 PolarHBondContact O-OG 3.27Å; S581-G583 VanDerWaalsContact C-N 3.31Å; S581-G583 PolarHBondContact O-N 2.94Å; S581-L584 WeakPolarHBondContact O-CB 3.42Å; S581-L584 PolarHBondContact O-N 3.45Å; S581-F585 WeakPolarHBondContact O-CD2 3.25Å; S581-F585 PolarHBondContact O-N 3.21Å; S581-F585 VanDerWaalsContact O-N 3.1Å |
| 582 | S | 74.1 | Confident | 73.5 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 40% | 0.399 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 172.9 | 57.7 | 0 | 0 | 0 | 0 | 112.5 | S578 V579 F585 S586 | S578-S582 WeakPolarHBondContact O-CB 3.39Å; S578-S582 PolarHBondContact O-N 3.37Å; S578-S582 PolarHBondContact O-OG 3.26Å; V579-S582 WeakPolarHBondContact CA-OG 3.37Å; V579-S582 PolarHBondContact O-OG 3.18Å; S582-F585 PolarHBondContact O-N 3.03Å; S582-S586 VanDerWaalsContact O-CB 3.32Å; S582-S586 WeakPolarHBondContact O-CB 3.37Å; S582-S586 PolarHBondContact O-N 3.16Å; S582-S586 PolarHBondContact O-OG 2.9Å |
| 583 | G | 78.1 | Confident | 74.1 | Confident | 37 Ų | 37 | 61 Ų | 61 | 38% | 0.381 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V579 V580 S581 S586 L587 | V579-G583 PolarHBondContact O-N 3.05Å; V580-G583 PolarHBondContact O-N 3.3Å; S581-G583 VanDerWaalsContact C-N 3.31Å; S581-G583 PolarHBondContact O-N 2.94Å; G583-S586 WeakPolarHBondContact O-CB 3.43Å; G583-S586 PolarHBondContact O-N 3Å; G583-L587 WeakPolarHBondContact O-CB 3.26Å; G583-L587 PolarHBondContact O-N 2.66Å |
| 584 | L | 81.8 | Confident | 74.9 | Confident | 8 Ų | 8 | 60.7 Ų | 60.7 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 176.3 | 176.7 | 65.1 | 0 | 0 | 0 | 111.7 | L506 F567 I570 V580 S581 S586 L587 L588 W610 | L506-L584 HydrophobicContact CD1-CD1 4.48Å; L506-L584 HydrophobicContact CD2-CD1 3.91Å; F567-L584 HydrophobicContact CB-CD2 3.91Å; F567-L584 HydrophobicContact CD1-CD1 3.87Å; F567-L584 HydrophobicContact CD1-CD2 4.1Å; F567-L584 HydrophobicContact CD2-CD1 4.33Å; F567-L584 HydrophobicContact CE1-CD1 3.84Å; F567-L584 HydrophobicContact CE2-CD1 4.24Å; F567-L584 HydrophobicContact CG-CD1 4.15Å; F567-L584 HydrophobicContact CG-CD2 3.94Å; F567-L584 HydrophobicContact CZ-CD1 4.01Å; I570-L584 HydrophobicContact CB-CD2 4.42Å; I570-L584 HydrophobicContact CG2-CD2 4.1Å; V580-L584 PolarHBondContact O-N 3.38Å; S581-L584 WeakPolarHBondContact O-CB 3.42Å; S581-L584 PolarHBondContact O-N 3.45Å; L584-S586 VanDerWaalsContact C-N 3.29Å; L584-S586 PolarHBondContact O-N 3.12Å; L584-L587 WeakPolarHBondContact O-CB 3.35Å; L584-L587 PolarHBondContact O-N 3.4Å; L584-L588 WeakPolarHBondContact O-CG 3.27Å; L584-L588 PolarHBondContact O-N 3.35Å; L584-W610 HydrophobicContact CD2-CH2 4.04Å; L584-W610 HydrophobicContact CD2-CZ3 4.44Å |
| 585 | F | 83.1 | Confident | 76.4 | Confident | 17 Ų | 17 | 54.5 Ų | 54.5 | 8% | 0.075 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 175.9 | -69.7 | -61.9 | 0 | 0 | 0 | 111.7 | S581 S582 L587 L588 L589 W610 F617 F620 D622 L625 | S581-F585 WeakPolarHBondContact O-CD2 3.25Å; S581-F585 PolarHBondContact O-N 3.21Å; S581-F585 VanDerWaalsContact O-N 3.1Å; S582-F585 PolarHBondContact O-N 3.03Å; F585-L587 VanDerWaalsContact C-N 3.34Å; F585-L587 PolarHBondContact O-N 3.35Å; F585-L588 PolarHBondContact O-N 3.2Å; F585-L589 WeakPolarHBondContact O-CB 3.47Å; F585-L589 PolarHBondContact O-N 3.43Å; F585-W610 HydrophobicContact CE1-CH2 4.5Å; F585-F617 AromaticContact CE1-CE2 3.8Å; F585-F617 HydrophobicContact CE1-CE2 3.8Å; F585-F617 HydrophobicContact CE1-CZ 4.02Å; F585-F617 HydrophobicContact CZ-CE2 4.27Å; F585-F620 AromaticContact CZ-CD2 4Å; F585-F620 HydrophobicContact CZ-CD2 4Å; F585-F620 AromaticContact CZ-CE2 3.98Å; F585-F620 HydrophobicContact CZ-CE2 3.98Å; F585-D622 HydrophobicContact CB-CB 4.42Å; F585-D622 HydrophobicContact CG-CB 4.28Å; F585-L625 HydrophobicContact CD1-CD2 4.28Å |
| 586 | S | 84 | Confident | 78 | Confident | 70 Ų | 70 | 47.1 Ų | 47.1 | 49% | 0.49 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 174.8 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | S582 G583 L584 L589 F590 | S582-S586 VanDerWaalsContact O-CB 3.32Å; S582-S586 WeakPolarHBondContact O-CB 3.37Å; S582-S586 PolarHBondContact O-N 3.16Å; S582-S586 PolarHBondContact O-OG 2.9Å; G583-S586 WeakPolarHBondContact O-CB 3.43Å; G583-S586 PolarHBondContact O-N 3Å; L584-S586 VanDerWaalsContact C-N 3.29Å; L584-S586 PolarHBondContact O-N 3.12Å; S586-L589 PolarHBondContact O-N 3.43Å; S586-F590 WeakPolarHBondContact O-CB 3.36Å; S586-F590 PolarHBondContact O-N 3.14Å |
| 587 | L | 85.9 | Confident | 79.8 | Confident | 49 Ų | 49 | 45.7 Ų | 45.7 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.4 | -47.1 | 176.1 | 179.5 | 66.4 | 0 | 0 | 0 | 111.6 | L506 L510 G583 L584 F585 L589 F590 H591 | L506-L587 HydrophobicContact CD2-CD2 3.59Å; L510-L587 HydrophobicContact CD2-CD2 3.89Å; L510-L587 HydrophobicContact CD2-CG 4.01Å; G583-L587 WeakPolarHBondContact O-CB 3.26Å; G583-L587 PolarHBondContact O-N 2.66Å; L584-L587 WeakPolarHBondContact O-CB 3.35Å; L584-L587 PolarHBondContact O-N 3.4Å; F585-L587 VanDerWaalsContact C-N 3.34Å; F585-L587 PolarHBondContact O-N 3.35Å; L587-L589 VanDerWaalsContact C-N 3.33Å; L587-L589 PolarHBondContact O-N 3.4Å; L587-F590 PolarHBondContact O-N 3.04Å; L587-H591 PolarHBondContact O-CD2 3.4Å; L587-H591 PolarHBondContact O-N 2.82Å |
| 588 | L | 88.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 176.4 | -65.4 | 176.1 | 0 | 0 | 0 | 111.1 | L510 F567 L584 F585 H591 L592 V603 V606 L607 W610 | L510-L588 HydrophobicContact CD2-CD2 4.39Å; F567-L588 HydrophobicContact CE2-CD2 4.38Å; L584-L588 WeakPolarHBondContact O-CG 3.27Å; L584-L588 PolarHBondContact O-N 3.35Å; F585-L588 PolarHBondContact O-N 3.2Å; L588-H591 PolarHBondContact O-N 3.46Å; L588-L592 VanDerWaalsContact O-CB 3.31Å; L588-L592 WeakPolarHBondContact O-CB 3.14Å; L588-L592 PolarHBondContact O-N 3.4Å; L588-V603 HydrophobicContact CB-CG1 4.44Å; L588-V603 HydrophobicContact CD2-CG1 4.37Å; L588-V606 HydrophobicContact CD2-CG1 4.43Å; L588-L607 HydrophobicContact CD1-CD2 4.41Å; L588-W610 HydrophobicContact CD1-CZ3 4Å |
| 589 | L | 87.8 | Confident | 82.9 | Confident | 37 Ų | 37 | 42.6 Ų | 42.6 | 19% | 0.194 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.8 | -174.7 | 64.3 | 0 | 0 | 0 | 111.8 | F585 S586 L587 H591 L592 I593 L625 K628 | F585-L589 WeakPolarHBondContact O-CB 3.47Å; F585-L589 PolarHBondContact O-N 3.43Å; S586-L589 PolarHBondContact O-N 3.43Å; L587-L589 VanDerWaalsContact C-N 3.33Å; L587-L589 PolarHBondContact O-N 3.4Å; L589-H591 VanDerWaalsContact C-N 3.33Å; L589-H591 PolarHBondContact O-N 3.44Å; L589-L592 PolarHBondContact O-N 3.36Å; L589-I593 HydrophobicContact CD1-CD1 3.74Å; L589-I593 HydrophobicContact CD1-CG1 4.18Å; L589-I593 HydrophobicContact CD2-CD1 4.44Å; L589-I593 HydrophobicContact CG-CD1 3.72Å; L589-I593 HydrophobicContact CG-CG1 4.47Å; L589-I593 VanDerWaalsContact O-CG1 3.3Å; L589-I593 WeakPolarHBondContact O-CG1 3.3Å; L589-I593 PolarHBondContact O-N 3.42Å; L589-L625 HydrophobicContact CB-CD1 4.31Å; L589-L625 HydrophobicContact CD1-CD1 4.09Å; L589-K628 HydrophobicContact CD1-CB 3.94Å; L589-K628 HydrophobicContact CD1-CG 4.12Å |
| 590 | F | 88.2 | Confident | 83.9 | Confident | 128 Ų | 128 | 38 Ų | 38 | 56% | 0.561 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -56.3 | -47 | 176.7 | 173.7 | -100.9 | 0 | 0 | 0 | 111.7 | S586 L587 S594 | S586-F590 WeakPolarHBondContact O-CB 3.36Å; S586-F590 PolarHBondContact O-N 3.14Å; L587-F590 PolarHBondContact O-N 3.04Å; F590-S594 PolarHBondContact O-N 3.42Å |
| 591 | H | 88.7 | Confident | 84.9 | Confident | 24 Ų | 24 | 36.4 Ų | 36.4 | 11% | 0.111 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -74.5 | -29.4 | 178.6 | -69.7 | -61.4 | 0 | 0 | 0 | 113.3 | M514 L587 L588 L589 I593 S594 V603 | M514-H591 HydrophobicContact CE-CB 4.05Å; M514-H591 VanDerWaalsContact CE-CG 3.46Å; M514-H591 WeakPolarHBondContact CE-ND1 3.35Å; L587-H591 PolarHBondContact O-CD2 3.4Å; L587-H591 PolarHBondContact O-N 2.82Å; L588-H591 PolarHBondContact O-N 3.46Å; L589-H591 VanDerWaalsContact C-N 3.33Å; L589-H591 PolarHBondContact O-N 3.44Å; H591-I593 VanDerWaalsContact C-N 3.33Å; H591-S594 WeakPolarHBondContact O-CB 3.49Å; H591-S594 PolarHBondContact O-N 3.11Å; H591-V603 HydrophobicContact CB-CG2 3.43Å; H591-V603 VanDerWaalsContact CB-CG2 3.43Å |
| 592 | L | 87.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.1 | -31.2 | 175 | -172.5 | 68.5 | 0 | 0 | 0 | 112.8 | L588 L589 R600 V603 L625 K628 V629 N632 M744 | L588-L592 VanDerWaalsContact O-CB 3.31Å; L588-L592 WeakPolarHBondContact O-CB 3.14Å; L588-L592 PolarHBondContact O-N 3.4Å; L589-L592 PolarHBondContact O-N 3.36Å; L592-R600 WeakPolarHBondContact O-CD 3.27Å; L592-R600 PolarHBondContact O-NE 2.92Å; L592-V603 HydrophobicContact CB-CG1 4.39Å; L592-V603 HydrophobicContact CD1-CG1 4.36Å; L592-L625 HydrophobicContact CD2-CD1 3.71Å; L592-K628 HydrophobicContact CD2-CB 4.34Å; L592-K628 HydrophobicContact CD2-CG 4.37Å; L592-V629 HydrophobicContact CD1-CG2 4.49Å; L592-V629 HydrophobicContact CD2-CG2 3.55Å; L592-N632 PolarHBondContact O-ND2 3.4Å; L592-M744 HydrophobicContact CD1-CE 4.18Å; L592-M744 HydrophobicContact CD1-SD 3.97Å |
| 593 | I | 86.6 | Confident | 86.7 | Confident | 80 Ų | 80 | 32.2 Ų | 32.2 | 41% | 0.41 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -88.2 | -18.4 | 179.9 | -60.1 | 169.6 | 0 | 0 | 0 | 112 | L589 H591 R600 K628 | L589-I593 HydrophobicContact CD1-CD1 3.74Å; L589-I593 HydrophobicContact CD1-CG1 4.18Å; L589-I593 HydrophobicContact CD2-CD1 4.44Å; L589-I593 HydrophobicContact CG-CD1 3.72Å; L589-I593 HydrophobicContact CG-CG1 4.47Å; L589-I593 VanDerWaalsContact O-CG1 3.3Å; L589-I593 WeakPolarHBondContact O-CG1 3.3Å; L589-I593 PolarHBondContact O-N 3.42Å; H591-I593 VanDerWaalsContact C-N 3.33Å; I593-R600 PolarHBondContact O-NH2 3.16Å; I593-K628 HydrophobicContact CD1-CD 4.17Å; I593-K628 HydrophobicContact CD1-CG 4.22Å; I593-K628 HydrophobicContact CG1-CD 3.98Å; I593-K628 HydrophobicContact CG1-CG 3.8Å |
| 594 | S | 87.5 | Confident | 87.3 | Confident | 17 Ų | 17 | 30.5 Ų | 30.5 | 12% | 0.119 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -50.3 | 149.7 | 178.7 | 173.9 | 0 | 0 | 0 | 0 | 113.5 | F590 H591 S596 R599 R600 | F590-S594 PolarHBondContact O-N 3.42Å; H591-S594 WeakPolarHBondContact O-CB 3.49Å; H591-S594 PolarHBondContact O-N 3.11Å; S594-S596 VanDerWaalsContact C-N 3.32Å; S594-S596 PolarHBondContact OG-N 3.06Å; S594-R599 WeakPolarHBondContact OG-CD 3.39Å; S594-R600 VanDerWaalsContact O-CZ 3.24Å; S594-R600 PolarHBondContact O-NE 3.5Å; S594-R600 PolarHBondContact O-NH2 3.36Å |
| 595 | S | 83.9 | Confident | 87.8 | Confident | 48 Ų | 48 | 30.1 Ų | 30.1 | 34% | 0.336 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -75.6 | -16.3 | 175.2 | 48.2 | 0 | 0 | 0 | 0 | 114.3 | Y640 D641 | S595-Y640 WeakPolarHBondContact O-CA 3.35Å; S595-Y640 WeakPolarHBondContact O-CD1 3.32Å; S595-D641 WeakPolarHBondContact CB-OD1 3.3Å; S595-D641 VanDerWaalsContact CB-OD2 3.27Å; S595-D641 WeakPolarHBondContact CB-OD2 3.29Å; S595-D641 PolarHBondContact O-N 3.33Å; S595-D641 VanDerWaalsContact OG-CG 3.32Å; S595-D641 PolarHBondContact OG-OD1 3.1Å; S595-D641 PolarHBondContact OG-OD2 2.66Å |
| 596 | S | 86.8 | Confident | 88.2 | Confident | 14 Ų | 14 | 29.3 Ų | 29.3 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | trans | -74.6 | 129.6 | 175.3 | 165.8 | 0 | 0 | 0 | 0 | 113.6 | S594 E598 R599 R600 E642 | S594-S596 VanDerWaalsContact C-N 3.32Å; S594-S596 PolarHBondContact OG-N 3.06Å; S596-E598 PolarHBondContact OG-N 3.49Å; S596-R599 PolarHBondContact OG-N 3.38Å; S596-R600 PolarHBondContact O-N 2.9Å; S596-E642 WeakPolarHBondContact CA-OE1 3.45Å; S596-E642 WeakPolarHBondContact CA-OE2 3.25Å; S596-E642 VanDerWaalsContact CB-OE1 3.28Å; S596-E642 WeakPolarHBondContact CB-OE1 3.43Å; S596-E642 PolarHBondContact OG-OE1 3.04Å | ||
| 597 | L | 84.9 | Confident | 88.5 | Confident | 12 Ų | 12 | 26 Ų | 26 | 6% | 0.063 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.8 | -51.9 | 174.3 | -165.7 | 90.5 | 0 | 0 | 0 | 111.5 | R599 R600 I601 Y640 E642 A736 V740 | L597-R599 VanDerWaalsContact C-N 3.32Å; L597-R599 PolarHBondContact O-N 2.85Å; L597-R600 PolarHBondContact O-N 3.1Å; L597-R600 VanDerWaalsContact O-N 3.14Å; L597-I601 HydrophobicContact CD2-CD1 4.3Å; L597-I601 HydrophobicContact CG-CD1 4.21Å; L597-I601 WeakPolarHBondContact O-CG1 3.46Å; L597-I601 PolarHBondContact O-N 2.9Å; L597-Y640 HydrophobicContact CB-CD1 4.2Å; L597-Y640 HydrophobicContact CB-CG 4.2Å; L597-Y640 HydrophobicContact CD1-CD1 3.9Å; L597-Y640 HydrophobicContact CD1-CD2 3.51Å; L597-Y640 HydrophobicContact CD1-CE1 4.24Å; L597-Y640 HydrophobicContact CD1-CE2 3.89Å; L597-Y640 HydrophobicContact CD1-CG 3.52Å; L597-E642 HydrophobicContact CB-CB 4.46Å; L597-E642 HydrophobicContact CB-CG 4.37Å; L597-E642 VanDerWaalsContact CB-OE2 3.25Å; L597-E642 WeakPolarHBondContact CB-OE2 3.11Å; L597-E642 VanDerWaalsContact N-CD 3.27Å; L597-E642 PolarHBondContact N-OE1 3.3Å; L597-E642 VanDerWaalsContact N-OE1 3.1Å; L597-E642 PolarHBondContact N-OE2 3.28Å; L597-A736 HydrophobicContact CD2-CB 3.94Å; L597-V740 HydrophobicContact CD1-CB 4.14Å; L597-V740 HydrophobicContact CD1-CG2 3.17Å; L597-V740 HydrophobicContact CD2-CG2 4.28Å; L597-V740 HydrophobicContact CG-CG2 3.41Å; L597-V740 VanDerWaalsContact CG-CG2 3.41Å |
| 598 | E | 87.1 | Confident | 88.7 | Confident | 22 Ų | 22 | 23.7 Ų | 23.7 | 10% | 0.103 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63 | -38.4 | -175.3 | -69.5 | -66.9 | 165.3 | 0 | 0 | 112 | M514 P516 K556 S596 R600 I601 A602 | M514-E598 WeakPolarHBondContact O-CB 3.29Å; P516-E598 HydrophobicContact CB-CG 4.24Å; K556-E598 IonicContact NZ-OE2 2.66Å; K556-E598 PolarHBondContact NZ-OE2 2.73Å; S596-E598 PolarHBondContact OG-N 3.49Å; E598-R600 PolarHBondContact O-N 3.03Å; E598-I601 PolarHBondContact O-N 3.37Å; E598-A602 WeakPolarHBondContact O-CB 3.33Å; E598-A602 PolarHBondContact O-N 3.14Å |
| 599 | R | 90 | Very high | 88.7 | Confident | 103 Ų | 103 | 24 Ų | 24 | 39% | 0.389 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 176.2 | -66.6 | -175.9 | 179.2 | 169.6 | 0.6 | 111.8 | M514 S594 S596 L597 V603 | M514-R599 HydrophobicContact CB-CG 4.5Å; M514-R599 HydrophobicContact CE-CG 4.45Å; M514-R599 HydrophobicContact CG-CG 4.28Å; M514-R599 HydrophobicContact SD-CB 4.38Å; M514-R599 HydrophobicContact SD-CG 3.74Å; S594-R599 WeakPolarHBondContact OG-CD 3.39Å; S596-R599 PolarHBondContact OG-N 3.38Å; L597-R599 VanDerWaalsContact C-N 3.32Å; L597-R599 PolarHBondContact O-N 2.85Å; R599-V603 WeakPolarHBondContact O-CG2 3.31Å; R599-V603 PolarHBondContact O-N 3.41Å |
| 600 | R | 89.1 | Confident | 88.8 | Confident | 5 Ų | 5 | 22.2 Ų | 22.2 | 2% | 0.019 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.4 | -42.7 | 177.4 | -66.6 | -161.2 | -164.5 | 177.3 | -2.7 | 112 | L592 I593 S594 S596 L597 E598 A602 V603 C604 F638 | L592-R600 WeakPolarHBondContact O-CD 3.27Å; L592-R600 PolarHBondContact O-NE 2.92Å; I593-R600 PolarHBondContact O-NH2 3.16Å; S594-R600 VanDerWaalsContact O-CZ 3.24Å; S594-R600 PolarHBondContact O-NE 3.5Å; S594-R600 PolarHBondContact O-NH2 3.36Å; S596-R600 PolarHBondContact O-N 2.9Å; L597-R600 PolarHBondContact O-N 3.1Å; L597-R600 VanDerWaalsContact O-N 3.14Å; E598-R600 PolarHBondContact O-N 3.03Å; R600-A602 PolarHBondContact O-N 2.7Å; R600-V603 PolarHBondContact O-N 3.29Å; R600-C604 WeakPolarHBondContact O-CB 3.28Å; R600-C604 PolarHBondContact O-N 3.45Å; R600-C604 PolarHBondContact O-SG 3.27Å; R600-F638 VanDerWaalsContact NH2-CE2 3.29Å |
| 601 | I | 89.4 | Confident | 88.7 | Confident | 5 Ų | 5 | 16.7 Ų | 16.7 | 3% | 0.026 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.1 | -50.2 | 176 | -65.9 | 174.9 | 0 | 0 | 0 | 109.9 | L597 E598 V603 C604 I605 E739 V740 | L597-I601 HydrophobicContact CD2-CD1 4.3Å; L597-I601 HydrophobicContact CG-CD1 4.21Å; L597-I601 WeakPolarHBondContact O-CG1 3.46Å; L597-I601 PolarHBondContact O-N 2.9Å; E598-I601 PolarHBondContact O-N 3.37Å; I601-V603 VanDerWaalsContact C-N 3.34Å; I601-V603 PolarHBondContact O-N 2.87Å; I601-C604 PolarHBondContact O-N 3.02Å; I601-C604 VanDerWaalsContact O-N 3.08Å; I601-I605 HydrophobicContact CG2-CD1 3.64Å; I601-I605 HydrophobicContact CG2-CG1 4.13Å; I601-I605 VanDerWaalsContact O-CG1 3.31Å; I601-I605 WeakPolarHBondContact O-CG1 3.05Å; I601-I605 PolarHBondContact O-N 3.28Å; I601-E739 HydrophobicContact CD1-CG 4.31Å; I601-V740 HydrophobicContact CD1-CG2 3.66Å; I601-V740 HydrophobicContact CG1-CG2 3.48Å; I601-V740 VanDerWaalsContact CG1-CG2 3.48Å |
| 602 | A | 91 | Very high | 88.5 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -55.3 | -47.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L513 M514 E598 R600 I605 V606 | L513-A602 HydrophobicContact CB-CB 3.83Å; M514-A602 HydrophobicContact CG-CB 3.75Å; E598-A602 WeakPolarHBondContact O-CB 3.33Å; E598-A602 PolarHBondContact O-N 3.14Å; R600-A602 PolarHBondContact O-N 2.7Å; A602-I605 PolarHBondContact O-N 3.03Å; A602-V606 WeakPolarHBondContact O-CG2 3.39Å; A602-V606 PolarHBondContact O-N 3.4Å; A602-V606 VanDerWaalsContact O-N 3.08Å |
| 603 | V | 91.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.8 | -40.9 | 176.6 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | L588 H591 L592 R599 R600 I601 I605 V606 L607 | L588-V603 HydrophobicContact CB-CG1 4.44Å; L588-V603 HydrophobicContact CD2-CG1 4.37Å; H591-V603 HydrophobicContact CB-CG2 3.43Å; H591-V603 VanDerWaalsContact CB-CG2 3.43Å; L592-V603 HydrophobicContact CB-CG1 4.39Å; L592-V603 HydrophobicContact CD1-CG1 4.36Å; R599-V603 WeakPolarHBondContact O-CG2 3.31Å; R599-V603 PolarHBondContact O-N 3.41Å; R600-V603 PolarHBondContact O-N 3.29Å; I601-V603 VanDerWaalsContact C-N 3.34Å; I601-V603 PolarHBondContact O-N 2.87Å; V603-I605 PolarHBondContact O-N 3.47Å; V603-V606 PolarHBondContact O-N 3.17Å; V603-L607 HydrophobicContact CG1-CD1 3.79Å; V603-L607 HydrophobicContact CG1-CG 4.17Å; V603-L607 WeakPolarHBondContact O-CB 3.06Å; V603-L607 VanDerWaalsContact O-CG 3.3Å; V603-L607 WeakPolarHBondContact O-CG 3.3Å; V603-L607 PolarHBondContact O-N 2.94Å |
| 604 | C | 90.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.007 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 177.5 | -67.6 | 0 | 0 | 0 | 0 | 112.5 | R600 I601 L607 C608 W743 M744 T747 | R600-C604 WeakPolarHBondContact O-CB 3.28Å; R600-C604 PolarHBondContact O-N 3.45Å; R600-C604 PolarHBondContact O-SG 3.27Å; I601-C604 PolarHBondContact O-N 3.02Å; I601-C604 VanDerWaalsContact O-N 3.08Å; C604-L607 PolarHBondContact O-N 3.41Å; C604-C608 VanDerWaalsContact O-CB 3.26Å; C604-C608 WeakPolarHBondContact O-CB 3.31Å; C604-C608 PolarHBondContact O-N 3.31Å; C604-C608 PolarHBondContact O-SG 3.12Å; C604-W743 HydrophobicContact CB-CB 3.77Å; C604-W743 HydrophobicContact CB-CE3 4.45Å; C604-M744 PolarHBondContact SG-SD 3.33Å; C604-T747 PolarHBondContact O-OG1 3.29Å |
| 605 | I | 92.3 | Very high | 87 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.5 | -49.6 | 174.6 | -67.3 | 169.1 | 0 | 0 | 0 | 109.5 | L553 K556 V557 A560 I601 A602 V603 L607 C608 E609 W743 | L553-I605 HydrophobicContact CD1-CD1 3.9Å; K556-I605 HydrophobicContact CB-CD1 4.2Å; K556-I605 HydrophobicContact CD-CD1 4.32Å; V557-I605 HydrophobicContact CG2-CG2 3.98Å; A560-I605 HydrophobicContact CB-CG2 3.7Å; I601-I605 HydrophobicContact CG2-CD1 3.64Å; I601-I605 HydrophobicContact CG2-CG1 4.13Å; I601-I605 VanDerWaalsContact O-CG1 3.31Å; I601-I605 WeakPolarHBondContact O-CG1 3.05Å; I601-I605 PolarHBondContact O-N 3.28Å; A602-I605 PolarHBondContact O-N 3.03Å; V603-I605 PolarHBondContact O-N 3.47Å; I605-L607 PolarHBondContact O-N 3.37Å; I605-C608 PolarHBondContact O-N 3.49Å; I605-E609 PolarHBondContact O-N 3.38Å; I605-W743 HydrophobicContact CB-CH2 4.42Å; I605-W743 HydrophobicContact CB-CZ3 4.21Å; I605-W743 HydrophobicContact CD1-CZ2 4.35Å; I605-W743 HydrophobicContact CG1-CD2 3.99Å; I605-W743 HydrophobicContact CG1-CE3 3.88Å; I605-W743 HydrophobicContact CG1-CH2 3.67Å; I605-W743 HydrophobicContact CG1-CZ2 3.77Å; I605-W743 HydrophobicContact CG1-CZ3 3.72Å |
| 606 | V | 91.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.4 | -49.2 | 177.1 | 167.2 | 0 | 0 | 0 | 0 | 111.4 | L510 L513 A560 L563 F567 L588 A602 V603 E609 W610 | L510-V606 HydrophobicContact CD1-CG2 4.17Å; L513-V606 HydrophobicContact CD1-CG2 3.63Å; A560-V606 HydrophobicContact CB-CG2 3.93Å; L563-V606 HydrophobicContact CD1-CG2 4.5Å; F567-V606 HydrophobicContact CD2-CG1 4.06Å; F567-V606 HydrophobicContact CE2-CG1 3.65Å; L588-V606 HydrophobicContact CD2-CG1 4.43Å; A602-V606 WeakPolarHBondContact O-CG2 3.39Å; A602-V606 PolarHBondContact O-N 3.4Å; A602-V606 VanDerWaalsContact O-N 3.08Å; V603-V606 PolarHBondContact O-N 3.17Å; V606-E609 PolarHBondContact O-N 2.95Å; V606-W610 WeakPolarHBondContact O-CB 3.39Å; V606-W610 PolarHBondContact O-N 2.91Å |
| 607 | L | 89.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.5 | -41.3 | 179.4 | -70.1 | 172.7 | 0 | 0 | 0 | 112 | L588 V603 C604 I605 W610 L611 F617 L625 T747 M751 | L588-L607 HydrophobicContact CD1-CD2 4.41Å; V603-L607 HydrophobicContact CG1-CD1 3.79Å; V603-L607 HydrophobicContact CG1-CG 4.17Å; V603-L607 WeakPolarHBondContact O-CB 3.06Å; V603-L607 VanDerWaalsContact O-CG 3.3Å; V603-L607 WeakPolarHBondContact O-CG 3.3Å; V603-L607 PolarHBondContact O-N 2.94Å; C604-L607 PolarHBondContact O-N 3.41Å; I605-L607 PolarHBondContact O-N 3.37Å; L607-W610 PolarHBondContact O-N 2.88Å; L607-L611 WeakPolarHBondContact O-CB 3.27Å; L607-L611 VanDerWaalsContact O-CD1 3.27Å; L607-L611 WeakPolarHBondContact O-CD1 3.29Å; L607-L611 VanDerWaalsContact O-CG 3.25Å; L607-L611 WeakPolarHBondContact O-CG 3.44Å; L607-L611 PolarHBondContact O-N 2.74Å; L607-F617 HydrophobicContact CD2-CE1 4.35Å; L607-F617 HydrophobicContact CD2-CZ 4.19Å; L607-L625 HydrophobicContact CD2-CD2 4.12Å; L607-T747 HydrophobicContact CB-CG2 3.68Å; L607-T747 HydrophobicContact CD1-CG2 3.9Å; L607-T747 HydrophobicContact CG-CG2 4.45Å; L607-M751 HydrophobicContact CD1-CE 3.95Å; L607-M751 HydrophobicContact CD2-CE 4.08Å; L607-M751 HydrophobicContact CG-CE 4.43Å |
| 608 | C | 90 | Very high | 84.8 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 177.1 | -76.9 | 0 | 0 | 0 | 0 | 111.5 | C604 I605 W610 L611 K612 W743 T747 L750 | C604-C608 VanDerWaalsContact O-CB 3.26Å; C604-C608 WeakPolarHBondContact O-CB 3.31Å; C604-C608 PolarHBondContact O-N 3.31Å; C604-C608 PolarHBondContact O-SG 3.12Å; I605-C608 PolarHBondContact O-N 3.49Å; C608-W610 VanDerWaalsContact C-N 3.35Å; C608-L611 PolarHBondContact O-N 3.46Å; C608-K612 VanDerWaalsContact O-CG 3.29Å; C608-K612 WeakPolarHBondContact O-CG 3.4Å; C608-K612 PolarHBondContact O-N 3.28Å; C608-K612 VanDerWaalsContact O-N 3.12Å; C608-W743 HydrophobicContact CB-CE3 4.4Å; C608-W743 HydrophobicContact CB-CZ3 3.96Å; C608-T747 PolarHBondContact SG-OG1 2.86Å; C608-L750 HydrophobicContact CB-CD1 3.95Å |
| 609 | E | 90.1 | Very high | 83.9 | Confident | 6 Ų | 6 | 29.3 Ų | 29.3 | 3% | 0.028 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70 | -33.5 | 177.8 | -65.6 | -58.5 | 118.2 | 0 | 0 | 111.7 | V557 A560 R561 V564 I605 V606 K612 M613 | V557-E609 HydrophobicContact CG1-CG 4.1Å; A560-E609 HydrophobicContact CB-CG 4.49Å; R561-E609 HydrophobicContact CG-CB 4.22Å; R561-E609 HydrophobicContact CG-CG 4.17Å; R561-E609 WeakPolarHBondContact CG-OE2 3.49Å; R561-E609 IonicContact CZ-OE2 3.51Å; R561-E609 IonicContact NE-OE2 2.79Å; R561-E609 PolarHBondContact NE-OE2 3.42Å; R561-E609 IonicContact NH2-OE2 2.82Å; R561-E609 PolarHBondContact NH2-OE2 2.8Å; V564-E609 HydrophobicContact CG2-CB 4.32Å; I605-E609 PolarHBondContact O-N 3.38Å; V606-E609 PolarHBondContact O-N 2.95Å; E609-K612 PolarHBondContact O-N 2.69Å; E609-K612 WeakPolarHBondContact OE1-CD 3.27Å; E609-K612 IonicContact OE1-NZ 3.7Å; E609-K612 PolarHBondContact OE1-NZ 3.42Å; E609-M613 WeakPolarHBondContact O-CG 3.4Å; E609-M613 PolarHBondContact O-N 3.01Å |
| 610 | W | 89.2 | Confident | 83 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60 | -51.9 | 172.9 | -158.4 | -18 | 0 | 0 | 0 | 111.4 | V564 F567 L584 F585 L588 V606 L607 C608 K612 M613 D614 F617 F620 | V564-W610 HydrophobicContact CG1-CB 4.05Å; V564-W610 HydrophobicContact CG1-CG 3.95Å; V564-W610 HydrophobicContact CG2-CB 3.75Å; V564-W610 HydrophobicContact CG2-CG 4.25Å; F567-W610 HydrophobicContact CB-CD2 4.44Å; F567-W610 HydrophobicContact CB-CE3 4.15Å; F567-W610 HydrophobicContact CB-CH2 3.51Å; F567-W610 HydrophobicContact CB-CZ2 3.79Å; F567-W610 HydrophobicContact CB-CZ3 3.69Å; F567-W610 AromaticContact CD2-CE3 3.99Å; F567-W610 HydrophobicContact CD2-CE3 3.99Å; F567-W610 HydrophobicContact CD2-CH2 4.45Å; F567-W610 AromaticContact CD2-CZ3 3.77Å; F567-W610 HydrophobicContact CD2-CZ3 3.77Å; F567-W610 HydrophobicContact CG-CH2 4.38Å; F567-W610 HydrophobicContact CG-CZ3 4.16Å; L584-W610 HydrophobicContact CD2-CH2 4.04Å; L584-W610 HydrophobicContact CD2-CZ3 4.44Å; F585-W610 HydrophobicContact CE1-CH2 4.5Å; L588-W610 HydrophobicContact CD1-CZ3 4Å; V606-W610 WeakPolarHBondContact O-CB 3.39Å; V606-W610 PolarHBondContact O-N 2.91Å; L607-W610 PolarHBondContact O-N 2.88Å; C608-W610 VanDerWaalsContact C-N 3.35Å; W610-K612 PolarHBondContact O-N 3.32Å; W610-M613 PolarHBondContact O-N 3.33Å; W610-M613 VanDerWaalsContact O-N 3.08Å; W610-D614 PolarHBondContact O-N 3.43Å; W610-F617 AromaticContact CD1-CD2 3.97Å; W610-F617 AromaticContact CD2-CD2 3.62Å; W610-F617 HydrophobicContact CD2-CD2 3.62Å; W610-F617 AromaticContact CD2-CE2 3.56Å; W610-F617 HydrophobicContact CD2-CE2 3.56Å; W610-F617 HydrophobicContact CD2-CG 4.29Å; W610-F617 HydrophobicContact CD2-CZ 4.18Å; W610-F617 AromaticContact CE2-CD2 3.24Å; W610-F617 AromaticContact CE2-CE2 3.47Å; W610-F617 VanDerWaalsContact CE2-CE2 3.47Å; W610-F617 HydrophobicContact CE3-CD2 4.16Å; W610-F617 AromaticContact CE3-CE2 3.6Å; W610-F617 HydrophobicContact CE3-CE2 3.6Å; W610-F617 AromaticContact CE3-CZ 3.97Å; W610-F617 HydrophobicContact CE3-CZ 3.97Å; W610-F617 HydrophobicContact CG-CD2 4.07Å; W610-F617 HydrophobicContact CG-CE2 4.35Å; W610-F617 HydrophobicContact CG-CG 4.3Å; W610-F617 HydrophobicContact CH2-CD2 4.02Å; W610-F617 AromaticContact CH2-CE2 3.45Å; W610-F617 HydrophobicContact CH2-CE2 3.45Å; W610-F617 VanDerWaalsContact CH2-CE2 3.45Å; W610-F617 HydrophobicContact CH2-CZ 4.41Å; W610-F617 AromaticContact CZ2-CD2 3.49Å; W610-F617 HydrophobicContact CZ2-CD2 3.49Å; W610-F617 VanDerWaalsContact CZ2-CD2 3.49Å; W610-F617 AromaticContact CZ2-CE2 3.44Å; W610-F617 HydrophobicContact CZ2-CE2 3.44Å; W610-F617 VanDerWaalsContact CZ2-CE2 3.44Å; W610-F617 HydrophobicContact CZ3-CD2 4.33Å; W610-F617 AromaticContact CZ3-CE2 3.54Å; W610-F617 HydrophobicContact CZ3-CE2 3.54Å; W610-F617 HydrophobicContact CZ3-CZ 4.09Å; W610-F617 AromaticContact NE1-CD2 3.49Å; W610-F620 HydrophobicContact CZ2-CE2 4.3Å; W610-F620 HydrophobicContact CZ2-CZ 4.25Å |
| 611 | L | 86.5 | Confident | 82.1 | Confident | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.063 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.3 | -27 | -179 | -71.7 | 157.5 | 0 | 0 | 0 | 113.2 | L607 C608 F617 C618 T747 L750 M751 | L607-L611 WeakPolarHBondContact O-CB 3.27Å; L607-L611 VanDerWaalsContact O-CD1 3.27Å; L607-L611 WeakPolarHBondContact O-CD1 3.29Å; L607-L611 VanDerWaalsContact O-CG 3.25Å; L607-L611 WeakPolarHBondContact O-CG 3.44Å; L607-L611 PolarHBondContact O-N 2.74Å; C608-L611 PolarHBondContact O-N 3.46Å; L611-F617 HydrophobicContact CD2-CD1 3.61Å; L611-F617 HydrophobicContact CD2-CE1 4.33Å; L611-F617 HydrophobicContact CG-CD1 4.11Å; L611-C618 VanDerWaalsContact CD2-SG 3.59Å; L611-T747 HydrophobicContact CD1-CG2 4.4Å; L611-L750 HydrophobicContact CB-CB 3.83Å; L611-L750 HydrophobicContact CD1-CB 3.64Å; L611-L750 HydrophobicContact CG-CB 4.28Å; L611-M751 HydrophobicContact CD1-CB 4.42Å; L611-M751 HydrophobicContact CD1-CE 4.37Å; L611-M751 HydrophobicContact CD1-CG 3.48Å; L611-M751 VanDerWaalsContact CD1-CG 3.48Å; L611-M751 HydrophobicContact CD2-CG 4.07Å; L611-M751 HydrophobicContact CG-CG 4.41Å |
| 612 | K | 84 | Confident | 81.2 | Confident | 74 Ų | 74 | 30.7 Ų | 30.7 | 32% | 0.322 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -74 | -37.5 | 173.1 | -74.9 | 174.2 | -177.1 | 176.1 | 0 | 112.5 | C608 E609 W610 E783 | C608-K612 VanDerWaalsContact O-CG 3.29Å; C608-K612 WeakPolarHBondContact O-CG 3.4Å; C608-K612 PolarHBondContact O-N 3.28Å; C608-K612 VanDerWaalsContact O-N 3.12Å; E609-K612 PolarHBondContact O-N 2.69Å; E609-K612 WeakPolarHBondContact OE1-CD 3.27Å; E609-K612 IonicContact OE1-NZ 3.7Å; E609-K612 PolarHBondContact OE1-NZ 3.42Å; W610-K612 PolarHBondContact O-N 3.32Å; K612-E783 WeakPolarHBondContact CE-OE2 3.45Å; K612-E783 IonicContact NZ-OE2 2.79Å |
| 613 | M | 81.2 | Confident | 80.4 | Confident | 71 Ų | 71 | 36.2 Ų | 36.2 | 35% | 0.35 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -85 | -36.6 | -176.3 | -69.8 | -177.4 | 64.1 | 0 | 0 | 113.2 | F483 R561 V564 L565 E609 W610 | F483-M613 HydrophobicContact CE2-CE 4Å; F483-M613 HydrophobicContact CZ-CE 3.64Å; R561-M613 HydrophobicContact CB-SD 4.33Å; R561-M613 HydrophobicContact CG-SD 4.27Å; V564-M613 HydrophobicContact CB-SD 4.38Å; V564-M613 HydrophobicContact CG1-CB 4.16Å; V564-M613 HydrophobicContact CG1-SD 3.88Å; L565-M613 HydrophobicContact CD2-CE 3.52Å; L565-M613 HydrophobicContact CG-CE 3.87Å; E609-M613 WeakPolarHBondContact O-CG 3.4Å; E609-M613 PolarHBondContact O-N 3.01Å; W610-M613 PolarHBondContact O-N 3.33Å; W610-M613 VanDerWaalsContact O-N 3.08Å |
| 614 | D | 79.2 | Confident | 79.8 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | trans | -125.3 | 103.9 | -179.3 | -174 | 5.1 | 0 | 0 | 0 | 111 | R572 W610 D616 F617 | R572-D614 IonicContact CZ-OD2 2.86Å; R572-D614 IonicContact NE-OD2 3.43Å; R572-D614 IonicContact NH2-OD1 3.97Å; R572-D614 PolarHBondContact NH2-OD1 3.05Å; R572-D614 IonicContact NH2-OD2 2.78Å; R572-D614 PolarHBondContact NH2-OD2 3.25Å; W610-D614 PolarHBondContact O-N 3.43Å; D614-D616 PolarHBondContact O-N 3.2Å; D614-D616 WeakPolarHBondContact OD1-CB 3.48Å; D614-D616 PolarHBondContact OD1-N 3.3Å; D614-F617 HydrophobicContact CB-CB 4.46Å; D614-F617 WeakPolarHBondContact O-CB 3.47Å; D614-F617 PolarHBondContact O-N 3.27Å | ||
| 615 | T | 70.1 | Confident | 79.4 | Confident | 91 Ų | 91 | 39.6 Ų | 39.6 | 56% | 0.558 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -20.6 | 176.7 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | F617 | T615-F617 VanDerWaalsContact C-N 3.31Š|
| 616 | D | 71.2 | Confident | 78.8 | Confident | 86 Ų | 86 | 40.7 Ų | 40.7 | 46% | 0.46 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -12.3 | -178.7 | -64 | -30.2 | 0 | 0 | 0 | 112.3 | D614 C618 N619 F620 | D614-D616 PolarHBondContact O-N 3.2Å; D614-D616 WeakPolarHBondContact OD1-CB 3.48Å; D614-D616 PolarHBondContact OD1-N 3.3Å; D616-C618 PolarHBondContact O-N 3.09Å; D616-C618 VanDerWaalsContact O-N 3.11Å; D616-N619 VanDerWaalsContact O-CB 3.31Å; D616-N619 WeakPolarHBondContact O-CB 3.39Å; D616-N619 PolarHBondContact O-N 2.71Å; D616-F620 WeakPolarHBondContact O-CD1 3.3Å |
| 617 | F | 72 | Confident | 78.4 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -50.3 | -37.4 | 174.8 | -179.5 | -101.3 | 0 | 0 | 0 | 113 | F585 L607 W610 L611 D614 T615 N619 F620 C621 M751 | F585-F617 AromaticContact CE1-CE2 3.8Å; F585-F617 HydrophobicContact CE1-CE2 3.8Å; F585-F617 HydrophobicContact CE1-CZ 4.02Å; F585-F617 HydrophobicContact CZ-CE2 4.27Å; L607-F617 HydrophobicContact CD2-CE1 4.35Å; L607-F617 HydrophobicContact CD2-CZ 4.19Å; W610-F617 AromaticContact CD1-CD2 3.97Å; W610-F617 AromaticContact CD2-CD2 3.62Å; W610-F617 HydrophobicContact CD2-CD2 3.62Å; W610-F617 AromaticContact CD2-CE2 3.56Å; W610-F617 HydrophobicContact CD2-CE2 3.56Å; W610-F617 HydrophobicContact CD2-CG 4.29Å; W610-F617 HydrophobicContact CD2-CZ 4.18Å; W610-F617 AromaticContact CE2-CD2 3.24Å; W610-F617 AromaticContact CE2-CE2 3.47Å; W610-F617 VanDerWaalsContact CE2-CE2 3.47Å; W610-F617 HydrophobicContact CE3-CD2 4.16Å; W610-F617 AromaticContact CE3-CE2 3.6Å; W610-F617 HydrophobicContact CE3-CE2 3.6Å; W610-F617 AromaticContact CE3-CZ 3.97Å; W610-F617 HydrophobicContact CE3-CZ 3.97Å; W610-F617 HydrophobicContact CG-CD2 4.07Å; W610-F617 HydrophobicContact CG-CE2 4.35Å; W610-F617 HydrophobicContact CG-CG 4.3Å; W610-F617 HydrophobicContact CH2-CD2 4.02Å; W610-F617 AromaticContact CH2-CE2 3.45Å; W610-F617 HydrophobicContact CH2-CE2 3.45Å; W610-F617 VanDerWaalsContact CH2-CE2 3.45Å; W610-F617 HydrophobicContact CH2-CZ 4.41Å; W610-F617 AromaticContact CZ2-CD2 3.49Å; W610-F617 HydrophobicContact CZ2-CD2 3.49Å; W610-F617 VanDerWaalsContact CZ2-CD2 3.49Å; W610-F617 AromaticContact CZ2-CE2 3.44Å; W610-F617 HydrophobicContact CZ2-CE2 3.44Å; W610-F617 VanDerWaalsContact CZ2-CE2 3.44Å; W610-F617 HydrophobicContact CZ3-CD2 4.33Å; W610-F617 AromaticContact CZ3-CE2 3.54Å; W610-F617 HydrophobicContact CZ3-CE2 3.54Å; W610-F617 HydrophobicContact CZ3-CZ 4.09Å; W610-F617 AromaticContact NE1-CD2 3.49Å; L611-F617 HydrophobicContact CD2-CD1 3.61Å; L611-F617 HydrophobicContact CD2-CE1 4.33Å; L611-F617 HydrophobicContact CG-CD1 4.11Å; D614-F617 HydrophobicContact CB-CB 4.46Å; D614-F617 WeakPolarHBondContact O-CB 3.47Å; D614-F617 PolarHBondContact O-N 3.27Å; T615-F617 VanDerWaalsContact C-N 3.31Å; F617-N619 PolarHBondContact O-N 2.97Å; F617-N619 VanDerWaalsContact O-N 3.17Å; F617-F620 HydrophobicContact CB-CE1 4.31Å; F617-F620 HydrophobicContact CB-CZ 4.25Å; F617-F620 HydrophobicContact CD2-CE1 4.35Å; F617-F620 AromaticContact CD2-CE2 3.62Å; F617-F620 HydrophobicContact CD2-CE2 3.62Å; F617-F620 AromaticContact CD2-CZ 3.52Å; F617-F620 HydrophobicContact CD2-CZ 3.52Å; F617-F620 HydrophobicContact CE2-CE2 4.01Å; F617-F620 HydrophobicContact CE2-CZ 4.34Å; F617-F620 HydrophobicContact CG-CZ 4.31Å; F617-F620 PolarHBondContact O-N 3.35Å; F617-C621 HydrophobicContact CD1-CB 4.13Å; F617-C621 HydrophobicContact CE1-CB 3.78Å; F617-C621 HydrophobicContact CE2-CB 4.34Å; F617-C621 HydrophobicContact CZ-CB 3.9Å; F617-C621 WeakPolarHBondContact O-CB 3.29Å; F617-C621 PolarHBondContact O-N 2.93Å; F617-M751 HydrophobicContact CE1-CE 4.34Å |
| 618 | C | 66 | Low | 78.1 | Confident | 21 Ų | 21 | 46 Ų | 46 | 14% | 0.142 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -27.2 | 177.9 | -69.2 | 0 | 0 | 0 | 0 | 113.3 | L611 D616 K626 | L611-C618 VanDerWaalsContact CD2-SG 3.59Å; D616-C618 PolarHBondContact O-N 3.09Å; D616-C618 VanDerWaalsContact O-N 3.11Å; C618-K626 WeakPolarHBondContact O-CE 3.32Å; C618-K626 PolarHBondContact O-NZ 2.99Å |
| 619 | N | 68.3 | Low | 77.8 | Confident | 131 Ų | 131 | 46.1 Ų | 46.1 | 70% | 0.701 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -80.4 | -30.3 | -175.1 | -60.5 | -29.5 | 0 | 0 | 0 | 112.7 | D616 F617 | D616-N619 VanDerWaalsContact O-CB 3.31Å; D616-N619 WeakPolarHBondContact O-CB 3.39Å; D616-N619 PolarHBondContact O-N 2.71Å; F617-N619 PolarHBondContact O-N 2.97Å; F617-N619 VanDerWaalsContact O-N 3.17Å |
| 620 | F | 69.5 | Low | 77.5 | Confident | 75 Ų | 75 | 48 Ų | 48 | 33% | 0.329 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -112 | -8.6 | -178.3 | 68.5 | -100 | 0 | 0 | 0 | 114.5 | S571 F585 W610 D616 F617 D622 | S571-F620 WeakPolarHBondContact OG-CZ 3.44Å; F585-F620 AromaticContact CZ-CD2 4Å; F585-F620 HydrophobicContact CZ-CD2 4Å; F585-F620 AromaticContact CZ-CE2 3.98Å; F585-F620 HydrophobicContact CZ-CE2 3.98Å; W610-F620 HydrophobicContact CZ2-CE2 4.3Å; W610-F620 HydrophobicContact CZ2-CZ 4.25Å; D616-F620 WeakPolarHBondContact O-CD1 3.3Å; F617-F620 HydrophobicContact CB-CE1 4.31Å; F617-F620 HydrophobicContact CB-CZ 4.25Å; F617-F620 HydrophobicContact CD2-CE1 4.35Å; F617-F620 AromaticContact CD2-CE2 3.62Å; F617-F620 HydrophobicContact CD2-CE2 3.62Å; F617-F620 AromaticContact CD2-CZ 3.52Å; F617-F620 HydrophobicContact CD2-CZ 3.52Å; F617-F620 HydrophobicContact CE2-CE2 4.01Å; F617-F620 HydrophobicContact CE2-CZ 4.34Å; F617-F620 HydrophobicContact CG-CZ 4.31Å; F617-F620 PolarHBondContact O-N 3.35Å; F620-D622 PolarHBondContact O-N 2.69Å |
| 621 | C | 70.4 | Confident | 77.2 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.034 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -58.2 | 133.1 | 177.4 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | F617 E623 | F617-C621 HydrophobicContact CD1-CB 4.13Å; F617-C621 HydrophobicContact CE1-CB 3.78Å; F617-C621 HydrophobicContact CE2-CB 4.34Å; F617-C621 HydrophobicContact CZ-CB 3.9Å; F617-C621 WeakPolarHBondContact O-CB 3.29Å; F617-C621 PolarHBondContact O-N 2.93Å; C621-E623 PolarHBondContact O-N 3.39Å |
| 622 | D | 70.8 | Confident | 77 | Confident | 62 Ų | 62 | 53.3 Ų | 53.3 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | trans | -53.9 | 124.9 | 176.8 | -172.5 | -11.5 | 0 | 0 | 0 | 111.2 | F585 F620 T624 L625 K626 | F585-D622 HydrophobicContact CB-CB 4.42Å; F585-D622 HydrophobicContact CG-CB 4.28Å; F620-D622 PolarHBondContact O-N 2.69Å; D622-T624 PolarHBondContact O-N 3.07Å; D622-T624 VanDerWaalsContact O-N 3.15Å; D622-T624 WeakPolarHBondContact OD1-CG2 3.28Å; D622-T624 PolarHBondContact OD1-N 2.7Å; D622-T624 PolarHBondContact OD1-OG1 3.04Å; D622-T624 PolarHBondContact OD2-OG1 2.95Å; D622-L625 WeakPolarHBondContact O-CB 3.21Å; D622-L625 PolarHBondContact O-N 3.28Å; D622-K626 PolarHBondContact O-N 3.42Å | ||
| 623 | E | 74.6 | Confident | 76.9 | Confident | 116 Ų | 116 | 50.6 Ų | 50.6 | 54% | 0.542 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.2 | -24.9 | 178.8 | -73.5 | -60.1 | 135.7 | 0 | 0 | 112.3 | C621 K626 S627 | C621-E623 PolarHBondContact O-N 3.39Å; E623-K626 IonicContact OE1-NZ 2.74Å; E623-K626 PolarHBondContact OE1-NZ 2.99Å; E623-S627 VanDerWaalsContact O-CB 3.25Å; E623-S627 WeakPolarHBondContact O-CB 3.31Å; E623-S627 PolarHBondContact O-N 3.07Å; E623-S627 PolarHBondContact O-OG 2.91Å |
| 624 | T | 79.6 | Confident | 76.8 | Confident | 72 Ų | 72 | 52.1 Ų | 52.1 | 44% | 0.442 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 173.7 | 67 | 0 | 0 | 0 | 0 | 111.9 | D622 S627 K628 | D622-T624 PolarHBondContact O-N 3.07Å; D622-T624 VanDerWaalsContact O-N 3.15Å; D622-T624 WeakPolarHBondContact OD1-CG2 3.28Å; D622-T624 PolarHBondContact OD1-N 2.7Å; D622-T624 PolarHBondContact OD1-OG1 3.04Å; D622-T624 PolarHBondContact OD2-OG1 2.95Å; T624-S627 PolarHBondContact O-N 3.07Å; T624-K628 WeakPolarHBondContact O-CB 3.43Å; T624-K628 PolarHBondContact O-N 3.49Å |
| 625 | L | 81.8 | Confident | 76.3 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.4 | -46.3 | 178.6 | -173.2 | 68.7 | 0 | 0 | 0 | 110.5 | F585 L589 L592 L607 D622 S627 K628 V629 M751 | F585-L625 HydrophobicContact CD1-CD2 4.28Å; L589-L625 HydrophobicContact CB-CD1 4.31Å; L589-L625 HydrophobicContact CD1-CD1 4.09Å; L592-L625 HydrophobicContact CD2-CD1 3.71Å; L607-L625 HydrophobicContact CD2-CD2 4.12Å; D622-L625 WeakPolarHBondContact O-CB 3.21Å; D622-L625 PolarHBondContact O-N 3.28Å; L625-S627 PolarHBondContact O-N 2.88Å; L625-K628 PolarHBondContact O-N 3.35Å; L625-V629 WeakPolarHBondContact O-CG2 3.5Å; L625-V629 PolarHBondContact O-N 3.27Å; L625-M751 HydrophobicContact CD2-CE 4.47Å |
| 626 | K | 80.4 | Confident | 75.5 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 10% | 0.1 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 175.9 | -66.3 | -179.2 | -168.3 | 164.9 | 0 | 111.8 | C618 D622 E623 K628 V629 L630 M751 T753 | C618-K626 WeakPolarHBondContact O-CE 3.32Å; C618-K626 PolarHBondContact O-NZ 2.99Å; D622-K626 PolarHBondContact O-N 3.42Å; E623-K626 IonicContact OE1-NZ 2.74Å; E623-K626 PolarHBondContact OE1-NZ 2.99Å; K626-K628 VanDerWaalsContact C-N 3.31Å; K626-K628 PolarHBondContact O-N 3.01Å; K626-V629 PolarHBondContact O-N 2.78Å; K626-L630 WeakPolarHBondContact O-CB 3.38Å; K626-L630 PolarHBondContact O-N 3.44Å; K626-M751 HydrophobicContact CG-SD 4.4Å; K626-T753 HydrophobicContact CB-CG2 4.41Å; K626-T753 HydrophobicContact CD-CG2 4.21Å |
| 627 | S | 82.4 | Confident | 74.9 | Confident | 72 Ų | 72 | 55.6 Ų | 55.6 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 179 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | E623 T624 L625 L630 E631 | E623-S627 VanDerWaalsContact O-CB 3.25Å; E623-S627 WeakPolarHBondContact O-CB 3.31Å; E623-S627 PolarHBondContact O-N 3.07Å; E623-S627 PolarHBondContact O-OG 2.91Å; T624-S627 PolarHBondContact O-N 3.07Å; L625-S627 PolarHBondContact O-N 2.88Å; S627-L630 PolarHBondContact O-N 3.06Å; S627-E631 WeakPolarHBondContact O-CB 3.21Å; S627-E631 PolarHBondContact O-N 3.27Å |
| 628 | K | 83 | Confident | 74.6 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 18% | 0.178 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72.6 | -37.8 | 179.3 | -163.4 | 73.6 | -152.9 | 171.3 | 0 | 113.3 | L589 L592 I593 T624 L625 K626 L630 E631 N632 | L589-K628 HydrophobicContact CD1-CB 3.94Å; L589-K628 HydrophobicContact CD1-CG 4.12Å; L592-K628 HydrophobicContact CD2-CB 4.34Å; L592-K628 HydrophobicContact CD2-CG 4.37Å; I593-K628 HydrophobicContact CD1-CD 4.17Å; I593-K628 HydrophobicContact CD1-CG 4.22Å; I593-K628 HydrophobicContact CG1-CD 3.98Å; I593-K628 HydrophobicContact CG1-CG 3.8Å; T624-K628 WeakPolarHBondContact O-CB 3.43Å; T624-K628 PolarHBondContact O-N 3.49Å; L625-K628 PolarHBondContact O-N 3.35Å; K626-K628 VanDerWaalsContact C-N 3.31Å; K626-K628 PolarHBondContact O-N 3.01Å; K628-L630 VanDerWaalsContact C-N 3.28Å; K628-L630 PolarHBondContact O-N 3.48Å; K628-E631 WeakPolarHBondContact CD-OE2 3.17Å; K628-E631 WeakPolarHBondContact CE-OE2 3.26Å; K628-E631 IonicContact NZ-OE1 3.5Å; K628-E631 PolarHBondContact NZ-OE1 2.75Å; K628-E631 IonicContact NZ-OE2 2.86Å; K628-E631 PolarHBondContact NZ-OE2 2.7Å; K628-E631 PolarHBondContact O-N 3.44Å; K628-N632 WeakPolarHBondContact O-CB 3.48Å; K628-N632 PolarHBondContact O-N 3.41Å |
| 629 | V | 84.6 | Confident | 74.7 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.9 | -44.6 | 171.8 | 171 | 0 | 0 | 0 | 0 | 110 | L592 L625 K626 N632 V633 M744 T747 C748 M751 | L592-V629 HydrophobicContact CD1-CG2 4.49Å; L592-V629 HydrophobicContact CD2-CG2 3.55Å; L625-V629 WeakPolarHBondContact O-CG2 3.5Å; L625-V629 PolarHBondContact O-N 3.27Å; K626-V629 PolarHBondContact O-N 2.78Å; V629-N632 PolarHBondContact O-N 3.46Å; V629-V633 WeakPolarHBondContact O-CG2 3.4Å; V629-V633 PolarHBondContact O-N 3.28Å; V629-M744 HydrophobicContact CG1-CE 4.16Å; V629-T747 HydrophobicContact CG1-CG2 4.35Å; V629-C748 HydrophobicContact CG1-CB 4.1Å; V629-M751 HydrophobicContact CB-SD 4.29Å; V629-M751 HydrophobicContact CG1-SD 4.27Å; V629-M751 HydrophobicContact CG2-CE 4.16Å; V629-M751 HydrophobicContact CG2-SD 4.12Å |
| 630 | L | 83.2 | Confident | 75.4 | Confident | 45 Ų | 45 | 56.1 Ų | 56.1 | 24% | 0.236 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64 | -47.1 | 177.2 | -175.6 | 63.6 | 0 | 0 | 0 | 111.9 | K626 S627 K628 N632 V633 E634 P755 | K626-L630 WeakPolarHBondContact O-CB 3.38Å; K626-L630 PolarHBondContact O-N 3.44Å; S627-L630 PolarHBondContact O-N 3.06Å; K628-L630 VanDerWaalsContact C-N 3.28Å; K628-L630 PolarHBondContact O-N 3.48Å; L630-N632 VanDerWaalsContact C-N 3.31Å; L630-N632 PolarHBondContact O-N 3.21Å; L630-V633 PolarHBondContact O-N 2.85Å; L630-V633 VanDerWaalsContact O-N 3.12Å; L630-E634 PolarHBondContact O-N 3.25Å; L630-P755 HydrophobicContact CD1-CB 3.85Å; L630-P755 HydrophobicContact CD1-CG 4.38Å |
| 631 | E | 82.8 | Confident | 75.9 | Confident | 103 Ų | 103 | 56.5 Ų | 56.5 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.5 | -42.8 | 176.9 | -169.3 | -167 | 149.4 | 0 | 0 | 111.4 | S627 K628 V633 E634 A635 | S627-E631 WeakPolarHBondContact O-CB 3.21Å; S627-E631 PolarHBondContact O-N 3.27Å; K628-E631 WeakPolarHBondContact CD-OE2 3.17Å; K628-E631 WeakPolarHBondContact CE-OE2 3.26Å; K628-E631 IonicContact NZ-OE1 3.5Å; K628-E631 PolarHBondContact NZ-OE1 2.75Å; K628-E631 IonicContact NZ-OE2 2.86Å; K628-E631 PolarHBondContact NZ-OE2 2.7Å; K628-E631 PolarHBondContact O-N 3.44Å; E631-V633 VanDerWaalsContact C-N 3.27Å; E631-V633 PolarHBondContact O-N 2.92Å; E631-E634 PolarHBondContact O-N 3.36Å; E631-A635 WeakPolarHBondContact O-CB 3.35Å; E631-A635 PolarHBondContact O-N 2.91Å |
| 632 | N | 82.4 | Confident | 76.2 | Confident | 22 Ų | 22 | 59.9 Ų | 59.9 | 12% | 0.118 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.7 | -28.2 | 178.4 | -76.1 | -10.5 | 0 | 0 | 0 | 113.1 | L592 K628 V629 L630 M744 | L592-N632 PolarHBondContact O-ND2 3.4Å; K628-N632 WeakPolarHBondContact O-CB 3.48Å; K628-N632 PolarHBondContact O-N 3.41Å; V629-N632 PolarHBondContact O-N 3.46Å; L630-N632 VanDerWaalsContact C-N 3.31Å; L630-N632 PolarHBondContact O-N 3.21Å; N632-M744 HydrophobicContact CB-CE 3.45Å; N632-M744 VanDerWaalsContact CB-CE 3.45Å |
| 633 | V | 81.2 | Confident | 76.6 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 10% | 0.097 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -80.5 | -33.7 | 175 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | V629 L630 E631 M744 C748 P760 V761 | V629-V633 WeakPolarHBondContact O-CG2 3.4Å; V629-V633 PolarHBondContact O-N 3.28Å; L630-V633 PolarHBondContact O-N 2.85Å; L630-V633 VanDerWaalsContact O-N 3.12Å; E631-V633 VanDerWaalsContact C-N 3.27Å; E631-V633 PolarHBondContact O-N 2.92Å; V633-M744 HydrophobicContact CG2-CB 4Å; V633-M744 HydrophobicContact CG2-CE 4.34Å; V633-C748 HydrophobicContact CG2-CB 4.13Å; V633-P760 HydrophobicContact CG1-CB 4.07Å; V633-V761 HydrophobicContact CG1-CG2 3.66Å |
| 634 | E | 79.2 | Confident | 76.7 | Confident | 103 Ų | 103 | 56.2 Ų | 56.2 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -81 | -28 | 177.7 | -69 | -171.4 | 156.5 | 0 | 0 | 113.2 | L630 E631 S636 P755 | L630-E634 PolarHBondContact O-N 3.25Å; E631-E634 PolarHBondContact O-N 3.36Å; E634-S636 PolarHBondContact O-N 2.94Å; E634-P755 HydrophobicContact CG-CB 4.14Å; E634-P755 VanDerWaalsContact OE1-CB 3.22Å; E634-P755 WeakPolarHBondContact OE1-CB 3.47Å |
| 635 | A | 68.6 | Low | 76.6 | Confident | 52 Ų | 52 | 60.6 Ų | 60.6 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -68.3 | 115.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E631 | E631-A635 WeakPolarHBondContact O-CB 3.35Å; E631-A635 PolarHBondContact O-N 2.91Å |
| 636 | S | 54.9 | Low | 76.5 | Confident | 112 Ų | 112 | 64.3 Ų | 64.3 | 78% | 0.783 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 156.7 | 174.4 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | E634 | E634-S636 PolarHBondContact O-N 2.94Š|
| 637 | P | 57.3 | Low | 76.2 | Confident | 93 Ų | 93 | 63.6 Ų | 63.6 | 60% | 0.604 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | -58.7 | 131.3 | -102.2 | 32.6 | -30.1 | 0 | 0 | 0 | 113.5 | |||
| 638 | F | 65.1 | Low | 75.9 | Confident | 85 Ų | 85 | 63.1 Ų | 63.1 | 37% | 0.373 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 132.8 | 172.2 | -168.4 | -86.5 | 0 | 0 | 0 | 110.1 | R600 Y640 | R600-F638 VanDerWaalsContact NH2-CE2 3.29Å; F638-Y640 HydrophobicContact CB-CE2 4.47Å; F638-Y640 AromaticContact CD1-CD1 3.77Å; F638-Y640 HydrophobicContact CD1-CD1 3.77Å; F638-Y640 HydrophobicContact CD1-CD2 4.43Å; F638-Y640 AromaticContact CD1-CE1 3.63Å; F638-Y640 HydrophobicContact CD1-CE1 3.63Å; F638-Y640 HydrophobicContact CD1-CE2 4.31Å; F638-Y640 HydrophobicContact CD1-CG 4.17Å; F638-Y640 AromaticContact CD1-CZ 3.93Å; F638-Y640 HydrophobicContact CE1-CD1 4.07Å; F638-Y640 HydrophobicContact CE1-CE1 4.2Å; F638-Y640 WeakPolarHBondContact O-CE2 3.31Å |
| 639 | I | 69.9 | Low | 75.7 | Confident | 70 Ų | 70 | 65.7 Ų | 65.7 | 36% | 0.359 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 118 | 177 | -57.5 | 167.4 | 0 | 0 | 0 | 108.5 | F644 L647 T688 | I639-F644 HydrophobicContact CG2-CB 4.3Å; I639-F644 HydrophobicContact CG2-CD2 3.86Å; I639-L647 HydrophobicContact CG2-CD1 4.02Å; I639-T688 VanDerWaalsContact CD1-OG1 3.23Å; I639-T688 WeakPolarHBondContact CD1-OG1 3.36Å |
| 640 | Y | 81.4 | Confident | 75.4 | Confident | 9 Ų | 9 | 65.7 Ų | 65.7 | 4% | 0.035 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 147.1 | 178.6 | -58.4 | -84.8 | 0 | 0 | 0 | 111.3 | S595 L597 F638 E642 T643 F644 L737 V740 | S595-Y640 WeakPolarHBondContact O-CA 3.35Å; S595-Y640 WeakPolarHBondContact O-CD1 3.32Å; L597-Y640 HydrophobicContact CB-CD1 4.2Å; L597-Y640 HydrophobicContact CB-CG 4.2Å; L597-Y640 HydrophobicContact CD1-CD1 3.9Å; L597-Y640 HydrophobicContact CD1-CD2 3.51Å; L597-Y640 HydrophobicContact CD1-CE1 4.24Å; L597-Y640 HydrophobicContact CD1-CE2 3.89Å; L597-Y640 HydrophobicContact CD1-CG 3.52Å; F638-Y640 HydrophobicContact CB-CE2 4.47Å; F638-Y640 AromaticContact CD1-CD1 3.77Å; F638-Y640 HydrophobicContact CD1-CD1 3.77Å; F638-Y640 HydrophobicContact CD1-CD2 4.43Å; F638-Y640 AromaticContact CD1-CE1 3.63Å; F638-Y640 HydrophobicContact CD1-CE1 3.63Å; F638-Y640 HydrophobicContact CD1-CE2 4.31Å; F638-Y640 HydrophobicContact CD1-CG 4.17Å; F638-Y640 AromaticContact CD1-CZ 3.93Å; F638-Y640 HydrophobicContact CE1-CD1 4.07Å; F638-Y640 HydrophobicContact CE1-CE1 4.2Å; F638-Y640 WeakPolarHBondContact O-CE2 3.31Å; Y640-E642 VanDerWaalsContact C-N 3.25Å; Y640-E642 PolarHBondContact O-N 2.99Å; Y640-T643 PolarHBondContact N-OG1 3.23Å; Y640-T643 CarbonylContact O-C 3.19Å; Y640-T643 PolarHBondContact O-N 3.4Å; Y640-T643 PolarHBondContact O-OG1 3.37Å; Y640-F644 PolarHBondContact O-N 3.37Å; Y640-L737 HydrophobicContact CD2-CD2 3.52Å; Y640-L737 HydrophobicContact CE2-CD2 3.55Å; Y640-V740 HydrophobicContact CE1-CG1 4.41Å; Y640-V740 WeakPolarHBondContact OH-CG1 3.45Å |
| 641 | D | 80.3 | Confident | 75 | Confident | 84 Ų | 84 | 64.9 Ų | 64.9 | 45% | 0.449 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.3 | -41.1 | -178.6 | -63.7 | -28.7 | 0 | 0 | 0 | 111.9 | S595 T643 F644 | S595-D641 WeakPolarHBondContact CB-OD1 3.3Å; S595-D641 VanDerWaalsContact CB-OD2 3.27Å; S595-D641 WeakPolarHBondContact CB-OD2 3.29Å; S595-D641 PolarHBondContact O-N 3.33Å; S595-D641 VanDerWaalsContact OG-CG 3.32Å; S595-D641 PolarHBondContact OG-OD1 3.1Å; S595-D641 PolarHBondContact OG-OD2 2.66Å; D641-T643 VanDerWaalsContact C-N 3.3Å; D641-T643 PolarHBondContact O-N 3.13Å; D641-F644 WeakPolarHBondContact O-CB 3.49Å; D641-F644 PolarHBondContact O-N 3.09Å |
| 642 | E | 77.2 | Confident | 74.8 | Confident | 75 Ų | 75 | 65.8 Ų | 65.8 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.1 | -26.3 | -179.7 | -59 | 86.7 | 163.4 | 0 | 0 | 112.6 | S596 L597 Y640 | S596-E642 WeakPolarHBondContact CA-OE1 3.45Å; S596-E642 WeakPolarHBondContact CA-OE2 3.25Å; S596-E642 VanDerWaalsContact CB-OE1 3.28Å; S596-E642 WeakPolarHBondContact CB-OE1 3.43Å; S596-E642 PolarHBondContact OG-OE1 3.04Å; L597-E642 HydrophobicContact CB-CB 4.46Å; L597-E642 HydrophobicContact CB-CG 4.37Å; L597-E642 VanDerWaalsContact CB-OE2 3.25Å; L597-E642 WeakPolarHBondContact CB-OE2 3.11Å; L597-E642 VanDerWaalsContact N-CD 3.27Å; L597-E642 PolarHBondContact N-OE1 3.3Å; L597-E642 VanDerWaalsContact N-OE1 3.1Å; L597-E642 PolarHBondContact N-OE2 3.28Å; Y640-E642 VanDerWaalsContact C-N 3.25Å; Y640-E642 PolarHBondContact O-N 2.99Å |
| 643 | T | 78.1 | Confident | 74.7 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -92.3 | -19.4 | 177 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | Y640 D641 F645 K646 L647 V733 A736 L737 | Y640-T643 PolarHBondContact N-OG1 3.23Å; Y640-T643 CarbonylContact O-C 3.19Å; Y640-T643 PolarHBondContact O-N 3.4Å; Y640-T643 PolarHBondContact O-OG1 3.37Å; D641-T643 VanDerWaalsContact C-N 3.3Å; D641-T643 PolarHBondContact O-N 3.13Å; T643-F645 PolarHBondContact O-N 3.01Å; T643-K646 PolarHBondContact O-N 3.47Å; T643-L647 WeakPolarHBondContact O-CB 3.46Å; T643-L647 WeakPolarHBondContact O-CG 3.2Å; T643-L647 PolarHBondContact O-N 2.86Å; T643-V733 HydrophobicContact CG2-CG1 4.41Å; T643-A736 HydrophobicContact CG2-CB 4.24Å; T643-L737 HydrophobicContact CG2-CD2 4.45Å |
| 644 | F | 77.9 | Confident | 74.2 | Confident | 97 Ų | 97 | 65.4 Ų | 65.4 | 43% | 0.425 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.3 | -45.6 | -172.2 | -179.8 | -96.2 | 0 | 0 | 0 | 112.8 | I639 Y640 D641 L647 T648 | I639-F644 HydrophobicContact CG2-CB 4.3Å; I639-F644 HydrophobicContact CG2-CD2 3.86Å; Y640-F644 PolarHBondContact O-N 3.37Å; D641-F644 WeakPolarHBondContact O-CB 3.49Å; D641-F644 PolarHBondContact O-N 3.09Å; F644-L647 PolarHBondContact O-N 3.35Å; F644-T648 WeakPolarHBondContact O-CB 3.48Å; F644-T648 PolarHBondContact O-N 2.89Å; F644-T648 PolarHBondContact O-OG1 3.42Å |
| 645 | F | 78 | Confident | 74.1 | Confident | 164 Ų | 164 | 63.9 Ų | 63.9 | 72% | 0.719 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.3 | -45.3 | 178.7 | -74 | -77 | 0 | 0 | 0 | 111.8 | T643 L647 T648 E649 | T643-F645 PolarHBondContact O-N 3.01Å; F645-L647 PolarHBondContact O-N 2.99Å; F645-T648 WeakPolarHBondContact O-CB 3.24Å; F645-T648 PolarHBondContact O-N 2.94Å; F645-E649 WeakPolarHBondContact O-CB 3.43Å; F645-E649 PolarHBondContact O-N 3.25Å |
| 646 | K | 78 | Confident | 74.4 | Confident | 78 Ų | 78 | 65.8 Ų | 65.8 | 34% | 0.339 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 177.4 | -68.9 | -170.2 | -179.1 | -176.1 | 0 | 112.4 | T643 T648 E649 L650 E732 V733 | T643-K646 PolarHBondContact O-N 3.47Å; K646-T648 VanDerWaalsContact C-N 3.34Å; K646-E649 PolarHBondContact O-N 3.04Å; K646-L650 VanDerWaalsContact O-CB 3.28Å; K646-L650 WeakPolarHBondContact O-CB 2.74Å; K646-L650 PolarHBondContact O-N 3.07Å; K646-E732 WeakPolarHBondContact CE-OE2 3.45Å; K646-E732 IonicContact NZ-OE2 2.96Å; K646-E732 PolarHBondContact NZ-OE2 2.62Å; K646-V733 HydrophobicContact CB-CG2 3.52Å; K646-V733 HydrophobicContact CD-CG2 4.13Å; K646-V733 HydrophobicContact CG-CG2 4.47Å |
| 647 | L | 75 | Confident | 75.2 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.1 | -39 | 173.4 | -76 | 166.8 | 0 | 0 | 0 | 111.8 | I639 T643 F644 F645 L650 N651 V733 | I639-L647 HydrophobicContact CG2-CD1 4.02Å; T643-L647 WeakPolarHBondContact O-CB 3.46Å; T643-L647 WeakPolarHBondContact O-CG 3.2Å; T643-L647 PolarHBondContact O-N 2.86Å; F644-L647 PolarHBondContact O-N 3.35Å; F645-L647 PolarHBondContact O-N 2.99Å; L647-L650 PolarHBondContact O-N 3.08Å; L647-N651 PolarHBondContact O-N 3.25Å; L647-N651 PolarHBondContact O-ND2 2.84Å; L647-V733 HydrophobicContact CD2-CG1 3.99Å; L647-V733 HydrophobicContact CG-CG1 4.19Å |
| 648 | T | 76.3 | Confident | 75.8 | Confident | 62 Ų | 62 | 57.1 Ų | 57.1 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 176.2 | -54.6 | 0 | 0 | 0 | 0 | 110.9 | F644 F645 K646 N651 L652 | F644-T648 WeakPolarHBondContact O-CB 3.48Å; F644-T648 PolarHBondContact O-N 2.89Å; F644-T648 PolarHBondContact O-OG1 3.42Å; F645-T648 WeakPolarHBondContact O-CB 3.24Å; F645-T648 PolarHBondContact O-N 2.94Å; K646-T648 VanDerWaalsContact C-N 3.34Å; T648-N651 PolarHBondContact O-N 3.46Å; T648-L652 PolarHBondContact O-N 3.48Å |
| 649 | E | 79.4 | Confident | 76 | Confident | 96 Ų | 96 | 58.3 Ų | 58.3 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 172.6 | -178.4 | 177 | -168.2 | 0 | 0 | 111.4 | F645 K646 N651 L652 M653 | F645-E649 WeakPolarHBondContact O-CB 3.43Å; F645-E649 PolarHBondContact O-N 3.25Å; K646-E649 PolarHBondContact O-N 3.04Å; E649-N651 VanDerWaalsContact C-N 3.33Å; E649-N651 PolarHBondContact O-N 3.04Å; E649-L652 PolarHBondContact O-N 3.02Å; E649-M653 HydrophobicContact CG-CE 3.61Å; E649-M653 HydrophobicContact CG-CG 4.48Å; E649-M653 HydrophobicContact CG-SD 4.19Å; E649-M653 VanDerWaalsContact O-CG 3.3Å; E649-M653 WeakPolarHBondContact O-CG 3.27Å; E649-M653 PolarHBondContact O-N 3.02Å; E649-M653 WeakPolarHBondContact OE1-CE 3.43Å |
| 650 | L | 76.7 | Confident | 75.9 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.1 | -42 | 177 | -165 | 75.8 | 0 | 0 | 0 | 111.9 | K646 L647 M653 C654 P691 A694 V726 A729 A730 | K646-L650 VanDerWaalsContact O-CB 3.28Å; K646-L650 WeakPolarHBondContact O-CB 2.74Å; K646-L650 PolarHBondContact O-N 3.07Å; L647-L650 PolarHBondContact O-N 3.08Å; L650-M653 PolarHBondContact O-N 3.09Å; L650-C654 WeakPolarHBondContact O-CB 3.45Å; L650-C654 PolarHBondContact O-N 2.91Å; L650-C654 PolarHBondContact O-SG 3.33Å; L650-P691 HydrophobicContact CD2-CB 4.38Å; L650-A694 HydrophobicContact CD1-CB 4.49Å; L650-A694 HydrophobicContact CD2-CB 3.34Å; L650-A694 HydrophobicContact CG-CB 3.74Å; L650-V726 HydrophobicContact CD1-CB 4.44Å; L650-V726 HydrophobicContact CD1-CG1 3.9Å; L650-V726 WeakPolarHBondContact CD1-O 3.48Å; L650-A729 HydrophobicContact CD1-CB 4Å; L650-A730 HydrophobicContact CD1-CB 3.96Å; L650-A730 HydrophobicContact CD2-CB 4.26Å |
| 651 | N | 74.7 | Confident | 75.2 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 174.6 | -80.6 | -65.6 | 0 | 0 | 0 | 111.1 | L647 T648 E649 M653 C654 T655 L689 | L647-N651 PolarHBondContact O-N 3.25Å; L647-N651 PolarHBondContact O-ND2 2.84Å; T648-N651 PolarHBondContact O-N 3.46Å; E649-N651 VanDerWaalsContact C-N 3.33Å; E649-N651 PolarHBondContact O-N 3.04Å; N651-M653 VanDerWaalsContact C-N 3.35Å; N651-M653 PolarHBondContact O-N 3.16Å; N651-C654 PolarHBondContact O-N 2.81Å; N651-T655 WeakPolarHBondContact O-CG2 3.36Å; N651-T655 PolarHBondContact O-N 3.36Å; N651-T655 PolarHBondContact O-OG1 2.87Å; N651-T655 VanDerWaalsContact O-OG1 3.13Å; N651-L689 PolarHBondContact ND2-N 3.27Å; N651-L689 WeakPolarHBondContact OD1-CB 3.45Å; N651-L689 VanDerWaalsContact OD1-CD1 3.28Å; N651-L689 WeakPolarHBondContact OD1-CD1 3.46Å; N651-L689 VanDerWaalsContact OD1-CG 3.3Å; N651-L689 WeakPolarHBondContact OD1-CG 3.3Å; N651-L689 PolarHBondContact OD1-N 3.05Å |
| 652 | L | 79.7 | Confident | 74.4 | Confident | 123 Ų | 123 | 58.2 Ų | 58.2 | 64% | 0.644 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.7 | -44.4 | 177.9 | -176.2 | 65.5 | 0 | 0 | 0 | 111.4 | T648 E649 T655 K656 | T648-L652 PolarHBondContact O-N 3.48Å; E649-L652 PolarHBondContact O-N 3.02Å; L652-T655 WeakPolarHBondContact CA-OG1 3.37Å; L652-T655 PolarHBondContact O-N 3.19Å; L652-T655 PolarHBondContact O-OG1 2.89Å; L652-K656 WeakPolarHBondContact O-CB 3.25Å; L652-K656 PolarHBondContact O-N 3.46Å |
| 653 | M | 80.1 | Confident | 73.5 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 12% | 0.118 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 176.3 | -69.8 | 177.9 | 174.7 | 0 | 0 | 111.8 | E649 L650 N651 T655 K656 L657 L722 Q725 V726 | E649-M653 HydrophobicContact CG-CE 3.61Å; E649-M653 HydrophobicContact CG-CG 4.48Å; E649-M653 HydrophobicContact CG-SD 4.19Å; E649-M653 VanDerWaalsContact O-CG 3.3Å; E649-M653 WeakPolarHBondContact O-CG 3.27Å; E649-M653 PolarHBondContact O-N 3.02Å; E649-M653 WeakPolarHBondContact OE1-CE 3.43Å; L650-M653 PolarHBondContact O-N 3.09Å; N651-M653 VanDerWaalsContact C-N 3.35Å; N651-M653 PolarHBondContact O-N 3.16Å; M653-T655 PolarHBondContact O-N 3.37Å; M653-K656 PolarHBondContact O-N 2.86Å; M653-L657 WeakPolarHBondContact O-CB 3.47Å; M653-L657 PolarHBondContact O-N 3.39Å; M653-L722 WeakPolarHBondContact O-CD2 3.42Å; M653-Q725 HydrophobicContact CE-CB 4.08Å; M653-Q725 HydrophobicContact SD-CB 4.05Å; M653-V726 HydrophobicContact CB-CG2 3.56Å; M653-V726 HydrophobicContact CG-CG2 4.48Å; M653-V726 HydrophobicContact SD-CG2 4.26Å |
| 654 | C | 71.7 | Confident | 72.3 | Confident | 5 Ų | 5 | 64.9 Ų | 64.9 | 3% | 0.034 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 176.3 | -70.6 | 0 | 0 | 0 | 0 | 112 | L650 N651 L657 A658 L689 | L650-C654 WeakPolarHBondContact O-CB 3.45Å; L650-C654 PolarHBondContact O-N 2.91Å; L650-C654 PolarHBondContact O-SG 3.33Å; N651-C654 PolarHBondContact O-N 2.81Å; C654-L657 PolarHBondContact O-N 3.01Å; C654-A658 WeakPolarHBondContact O-CB 3.11Å; C654-A658 PolarHBondContact O-N 2.81Å; C654-L689 HydrophobicContact CB-CD1 4.3Å |
| 655 | T | 75.3 | Confident | 70.8 | Confident | 72 Ų | 72 | 63.6 Ų | 63.6 | 44% | 0.442 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 174.5 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | N651 L652 M653 L657 A658 D659 | N651-T655 WeakPolarHBondContact O-CG2 3.36Å; N651-T655 PolarHBondContact O-N 3.36Å; N651-T655 PolarHBondContact O-OG1 2.87Å; N651-T655 VanDerWaalsContact O-OG1 3.13Å; L652-T655 WeakPolarHBondContact CA-OG1 3.37Å; L652-T655 PolarHBondContact O-N 3.19Å; L652-T655 PolarHBondContact O-OG1 2.89Å; M653-T655 PolarHBondContact O-N 3.37Å; T655-L657 VanDerWaalsContact C-N 3.31Å; T655-L657 PolarHBondContact O-N 3.02Å; T655-A658 PolarHBondContact O-N 2.72Å; T655-D659 WeakPolarHBondContact O-CB 3.43Å; T655-D659 VanDerWaalsContact O-CG 3.25Å; T655-D659 PolarHBondContact O-N 2.98Å |
| 656 | K | 76.1 | Confident | 69.1 | Low | 91 Ų | 91 | 68 Ų | 68 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 176 | -172.4 | -175.8 | 174.8 | -158.1 | 0 | 111.4 | L652 M653 L660 E718 L722 | L652-K656 WeakPolarHBondContact O-CB 3.25Å; L652-K656 PolarHBondContact O-N 3.46Å; M653-K656 PolarHBondContact O-N 2.86Å; K656-L660 HydrophobicContact CG-CD1 4.46Å; K656-L660 WeakPolarHBondContact O-CB 3.42Å; K656-L660 WeakPolarHBondContact O-CG 3.43Å; K656-L660 PolarHBondContact O-N 3.32Å; K656-E718 IonicContact NZ-OE1 3.75Å; K656-E718 PolarHBondContact NZ-OE1 2.77Å; K656-L722 HydrophobicContact CB-CD2 4.1Å; K656-L722 HydrophobicContact CD-CD1 3.97Å; K656-L722 HydrophobicContact CD-CD2 4.19Å; K656-L722 HydrophobicContact CG-CD2 4.18Å |
| 657 | L | 71.3 | Confident | 67.4 | Low | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 175.2 | -165 | 72.5 | 0 | 0 | 0 | 111.3 | M653 C654 T655 D659 L660 V661 L701 L722 E723 | M653-L657 WeakPolarHBondContact O-CB 3.47Å; M653-L657 PolarHBondContact O-N 3.39Å; C654-L657 PolarHBondContact O-N 3.01Å; T655-L657 VanDerWaalsContact C-N 3.31Å; T655-L657 PolarHBondContact O-N 3.02Å; L657-D659 PolarHBondContact O-N 3.38Å; L657-L660 PolarHBondContact O-N 3.03Å; L657-V661 WeakPolarHBondContact O-CG2 3.16Å; L657-V661 PolarHBondContact O-N 3.39Å; L657-L701 HydrophobicContact CB-CD1 4.2Å; L657-L701 HydrophobicContact CD2-CB 4.22Å; L657-L701 HydrophobicContact CD2-CD1 3.56Å; L657-L701 HydrophobicContact CG-CD1 3.81Å; L657-L722 HydrophobicContact CB-CD2 3.95Å; L657-L722 HydrophobicContact CD1-CB 4.26Å; L657-L722 HydrophobicContact CD1-CD2 4.07Å; L657-E723 HydrophobicContact CD1-CG 4.17Å; L657-E723 HydrophobicContact CD2-CG 4.36Å |
| 658 | A | 69.2 | Low | 65.8 | Low | 23 Ų | 23 | 71.7 Ų | 71.7 | 19% | 0.19 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | C654 T655 V661 N662 L701 | C654-A658 WeakPolarHBondContact O-CB 3.11Å; C654-A658 PolarHBondContact O-N 2.81Å; T655-A658 PolarHBondContact O-N 2.72Å; A658-V661 PolarHBondContact O-N 3.16Å; A658-N662 VanDerWaalsContact O-CB 3.27Å; A658-N662 WeakPolarHBondContact O-CB 3.44Å; A658-N662 PolarHBondContact O-N 3.31Å; A658-N662 PolarHBondContact O-ND2 3.27Å; A658-L701 HydrophobicContact CB-CD1 4.46Å |
| 659 | D | 70.8 | Confident | 64.3 | Low | 110 Ų | 110 | 73.7 Ų | 73.7 | 59% | 0.588 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.9 | -40.3 | 177.5 | -72.8 | -20.9 | 0 | 0 | 0 | 112.1 | T655 L657 V661 G663 | T655-D659 WeakPolarHBondContact O-CB 3.43Å; T655-D659 VanDerWaalsContact O-CG 3.25Å; T655-D659 PolarHBondContact O-N 2.98Å; L657-D659 PolarHBondContact O-N 3.38Å; D659-V661 VanDerWaalsContact C-N 3.3Å; D659-V661 PolarHBondContact O-N 3.41Å; D659-G663 PolarHBondContact O-N 3.12Å |
| 660 | L | 67.3 | Low | 62.6 | Low | 60 Ų | 60 | 77 Ų | 77 | 31% | 0.314 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 174.3 | -83.1 | 164.9 | 0 | 0 | 0 | 112 | K656 L657 | K656-L660 HydrophobicContact CG-CD1 4.46Å; K656-L660 WeakPolarHBondContact O-CB 3.42Å; K656-L660 WeakPolarHBondContact O-CG 3.43Å; K656-L660 PolarHBondContact O-N 3.32Å; L657-L660 PolarHBondContact O-N 3.03Å |
| 661 | V | 65.6 | Low | 61 | Low | 14 Ų | 14 | 78.7 Ų | 78.7 | 9% | 0.085 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -75.8 | -46.3 | 178.7 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | L657 A658 D659 V665 L701 V704 I705 | L657-V661 WeakPolarHBondContact O-CG2 3.16Å; L657-V661 PolarHBondContact O-N 3.39Å; A658-V661 PolarHBondContact O-N 3.16Å; D659-V661 VanDerWaalsContact C-N 3.3Å; D659-V661 PolarHBondContact O-N 3.41Å; V661-V665 WeakPolarHBondContact O-CG2 2.96Å; V661-V665 PolarHBondContact O-N 3.35Å; V661-L701 HydrophobicContact CB-CD2 3.94Å; V661-L701 HydrophobicContact CG1-CD2 3.94Å; V661-L701 HydrophobicContact CG2-CD2 3.94Å; V661-V704 HydrophobicContact CG1-CG1 4.16Å; V661-I705 HydrophobicContact CG2-CD1 4.19Å; V661-I705 HydrophobicContact CG2-CG1 4.27Å |
| 662 | N | 63.3 | Low | 59.3 | Low | 86 Ų | 86 | 84.8 Ų | 84.8 | 46% | 0.46 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.3 | -34.1 | -177.1 | -75.5 | -28.1 | 0 | 0 | 0 | 113.3 | A658 K664 V671 | A658-N662 VanDerWaalsContact O-CB 3.27Å; A658-N662 WeakPolarHBondContact O-CB 3.44Å; A658-N662 PolarHBondContact O-N 3.31Å; A658-N662 PolarHBondContact O-ND2 3.27Å; N662-K664 PolarHBondContact O-N 2.96Å; N662-K664 VanDerWaalsContact O-N 3.16Å; N662-V671 WeakPolarHBondContact OD1-CG1 3.14Å |
| 663 | G | 58.9 | Low | 57.6 | Low | 66 Ų | 66 | 88.2 Ų | 88.2 | 68% | 0.68 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -19.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D659 | D659-G663 PolarHBondContact O-N 3.12Š|
| 664 | K | 52.2 | Low | 55.5 | Low | 155 Ų | 155 | 91.1 Ų | 91.1 | 67% | 0.674 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124 | -13.8 | -173.8 | -67.4 | -171.1 | 179.2 | 175.9 | 0 | 115.9 | N662 R666 | N662-K664 PolarHBondContact O-N 2.96Å; N662-K664 VanDerWaalsContact O-N 3.16Å; K664-R666 PolarHBondContact O-N 3.14Å |
| 665 | V | 47.6 | Very low | 53.7 | Low | 69 Ų | 69 | 94.1 Ų | 94.1 | 42% | 0.418 | 51% | 0.51 | S | S | . | . | trans | -97.5 | 75.7 | 178.1 | -172.8 | 0 | 0 | 0 | 0 | 110.7 | V661 G667 I668 | V661-V665 WeakPolarHBondContact O-CG2 2.96Å; V661-V665 PolarHBondContact O-N 3.35Å; V665-G667 PolarHBondContact O-N 3.18Å; V665-G667 VanDerWaalsContact O-N 3.09Å; V665-I668 HydrophobicContact CG1-CD1 4.17Å; V665-I668 HydrophobicContact CG1-CG1 4.31Å | ||
| 666 | R | 41.1 | Very low | 51.6 | Low | 257 Ų | 257 | 95.8 Ų | 95.8 | 97% | 0.97 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 89.6 | 167 | -79 | -172.3 | 179.1 | -174.7 | 0.6 | 109.3 | K664 | K664-R666 PolarHBondContact O-N 3.14Š|
| 667 | G | 44.2 | Very low | 49.2 | Very low | 70 Ų | 70 | 99.1 Ų | 99.1 | 72% | 0.722 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 171.7 | -5.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | V665 | V665-G667 PolarHBondContact O-N 3.18Å; V665-G667 VanDerWaalsContact O-N 3.09Å |
| 668 | I | 40.5 | Very low | 47.1 | Very low | 93 Ų | 93 | 103.6 Ų | 103.6 | 48% | 0.477 | 57% | 0.571 | S | S | . | * | trans | -117.9 | 100.8 | -177.1 | -54.7 | 175.6 | 0 | 0 | 0 | 109.7 | V665 E670 V671 | V665-I668 HydrophobicContact CG1-CD1 4.17Å; V665-I668 HydrophobicContact CG1-CG1 4.31Å; I668-E670 HydrophobicContact CG2-CB 4.05Å; I668-E670 PolarHBondContact O-N 3.21Å; I668-V671 HydrophobicContact CG2-CG2 4.49Å; I668-V671 PolarHBondContact O-N 3.19Å | ||
| 669 | S | 45.7 | Very low | 45.1 | Very low | 104 Ų | 104 | 111.6 Ų | 111.6 | 73% | 0.727 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -5.8 | 178.9 | -138.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 670 | E | 43.2 | Very low | 43 | Very low | 165 Ų | 165 | 112.5 Ų | 112.5 | 77% | 0.771 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -17.8 | 177.2 | -66.7 | -171.2 | 153.2 | 0 | 0 | 113.9 | I668 | I668-E670 HydrophobicContact CG2-CB 4.05Å; I668-E670 PolarHBondContact O-N 3.21Å |
| 671 | V | 43.4 | Very low | 41.1 | Very low | 38 Ų | 38 | 118 Ų | 118 | 23% | 0.23 | 64% | 0.638 | C | S | . | * | G | 310 helix | trans | -80.7 | -17.4 | 179 | -172.5 | 0 | 0 | 0 | 0 | 112.4 | N662 I668 K673 V674 | N662-V671 WeakPolarHBondContact OD1-CG1 3.14Å; I668-V671 HydrophobicContact CG2-CG2 4.49Å; I668-V671 PolarHBondContact O-N 3.19Å; V671-K673 PolarHBondContact O-N 3.2Å; V671-V674 PolarHBondContact O-N 3.35Å |
| 672 | Q | 39.1 | Very low | 39.2 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 72% | 0.724 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -65.5 | -7.7 | 176.2 | -82.5 | -172.8 | -23.8 | 0 | 0 | 114.5 | V674 | Q672-V674 VanDerWaalsContact C-N 3.35Š|
| 673 | K | 42.2 | Very low | 37.4 | Very low | 195 Ų | 195 | 126.1 Ų | 126.1 | 85% | 0.848 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -84.8 | -4.4 | 169 | -76.7 | -172.9 | 177.5 | -179.7 | 0 | 114.4 | V671 | V671-K673 PolarHBondContact O-N 3.2Š|
| 674 | V | 36.5 | Very low | 36.3 | Very low | 84 Ų | 84 | 129.7 Ų | 129.7 | 51% | 0.509 | 69% | 0.692 | S | S | . | * | G | 310 helix | trans | -98.2 | 15.5 | 175.3 | -164.1 | 0 | 0 | 0 | 0 | 111.3 | V671 Q672 C676 | V671-V674 PolarHBondContact O-N 3.35Å; Q672-V674 VanDerWaalsContact C-N 3.35Å; V674-C676 PolarHBondContact O-N 3.24Å; V674-C676 VanDerWaalsContact O-N 3.08Å |
| 675 | S | 33.7 | Very low | 35.5 | Very low | 68 Ų | 68 | 127.8 Ų | 127.8 | 48% | 0.476 | 69% | 0.693 | S | S | . | * | trans | -65.3 | 113 | 162.2 | 65.7 | 0 | 0 | 0 | 0 | 107.8 | H677 | S675-H677 PolarHBondContact O-N 3.26Š| ||
| 676 | C | 32.6 | Very low | 35.2 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 73% | 0.73 | 71% | 0.706 | S | S | * | * | trans | -62.5 | 60.8 | 171.4 | -62.4 | 0 | 0 | 0 | 0 | 111.7 | V674 | V674-C676 PolarHBondContact O-N 3.24Å; V674-C676 VanDerWaalsContact O-N 3.08Å | ||
| 677 | H | 24.6 | Very low | 35.4 | Very low | 160 Ų | 160 | 120.8 Ų | 120.8 | 74% | 0.741 | 70% | 0.697 | S | S | * | * | trans | -118.5 | 60.5 | 173.5 | -66 | -44 | 0 | 0 | 0 | 108.2 | S675 E679 | S675-H677 PolarHBondContact O-N 3.26Å; H677-E679 PolarHBondContact O-N 2.72Å | ||
| 678 | S | 27.7 | Very low | 35.7 | Very low | 95 Ų | 95 | 119.4 Ų | 119.4 | 66% | 0.664 | 68% | 0.675 | S | S | * | * | trans | -67.8 | 119.2 | 149.4 | 47.3 | 0 | 0 | 0 | 0 | 106.5 | V680 | S678-V680 PolarHBondContact O-N 3.27Å; S678-V680 VanDerWaalsContact O-N 3.08Å | ||
| 679 | E | 26.6 | Very low | 36.3 | Very low | 191 Ų | 191 | 116.7 Ų | 116.7 | 89% | 0.893 | 66% | 0.661 | S | S | * | * | trans | -41.4 | 112.2 | -179.6 | -67.2 | 172.5 | 154.8 | 0 | 0 | 111.2 | H677 E681 | H677-E679 PolarHBondContact O-N 2.72Å; E679-E681 VanDerWaalsContact C-N 3.33Å; E679-E681 PolarHBondContact O-N 3.29Å | ||
| 680 | V | 27.2 | Very low | 37.1 | Very low | 130 Ų | 130 | 114.3 Ų | 114.3 | 79% | 0.788 | 64% | 0.64 | S | S | * | * | trans | -78.2 | 83.8 | -179.5 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | S678 Q682 | S678-V680 PolarHBondContact O-N 3.27Å; S678-V680 VanDerWaalsContact O-N 3.08Å; V680-Q682 PolarHBondContact O-N 2.9Å | ||
| 681 | E | 27.1 | Very low | 38.1 | Very low | 175 Ų | 175 | 106.7 Ų | 106.7 | 82% | 0.818 | 61% | 0.605 | S | S | * | * | trans | -64.7 | 128.3 | 156.7 | -76.6 | -167.9 | 162.1 | 0 | 0 | 108 | E679 S683 | E679-E681 VanDerWaalsContact C-N 3.33Å; E679-E681 PolarHBondContact O-N 3.29Å; E681-S683 VanDerWaalsContact C-N 3.35Å; E681-S683 PolarHBondContact O-N 3.35Å | ||
| 682 | Q | 25.9 | Very low | 39.2 | Very low | 198 Ų | 198 | 108.5 Ų | 108.5 | 93% | 0.925 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -59 | 89 | -171.5 | -66.1 | 172.1 | -6.9 | 0 | 0 | 111.6 | V680 | V680-Q682 PolarHBondContact O-N 2.9Š|
| 683 | S | 25.6 | Very low | 40.6 | Very low | 73 Ų | 73 | 105.7 Ų | 105.7 | 51% | 0.51 | 60% | 0.6 | S | S | . | * | trans | -126.9 | 137.3 | 156.8 | 61.3 | 0 | 0 | 0 | 0 | 107.9 | E681 T685 | E681-S683 VanDerWaalsContact C-N 3.35Å; E681-S683 PolarHBondContact O-N 3.35Å; S683-T685 PolarHBondContact O-N 3.08Å | ||
| 684 | P | 35.1 | Very low | 41.8 | Very low | 140 Ų | 140 | 96.4 Ų | 96.4 | 91% | 0.909 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -75.6 | 9.7 | -169 | 30.8 | -34.8 | 0 | 0 | 0 | 114.2 | A686 | P684-A686 VanDerWaalsContact C-N 3.34Å; P684-A686 PolarHBondContact O-N 3.44Å; P684-A686 VanDerWaalsContact O-N 3.11Å |
| 685 | T | 37.1 | Very low | 43.3 | Very low | 116 Ų | 116 | 93.1 Ų | 93.1 | 71% | 0.712 | 54% | 0.54 | S | S | * | . | trans | -82.3 | 82.8 | 169.6 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | S683 A687 | S683-T685 PolarHBondContact O-N 3.08Å; T685-A687 PolarHBondContact O-N 3.32Å | ||
| 686 | A | 40.2 | Very low | 45 | Very low | 83 Ų | 83 | 93.8 Ų | 93.8 | 69% | 0.686 | 54% | 0.538 | S | S | * | . | trans | -48.5 | 125.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | P684 T688 | P684-A686 VanDerWaalsContact C-N 3.34Å; P684-A686 PolarHBondContact O-N 3.44Å; P684-A686 VanDerWaalsContact O-N 3.11Å; A686-T688 PolarHBondContact O-N 2.82Å | ||
| 687 | A | 44.8 | Very low | 46.6 | Very low | 95 Ų | 95 | 90.3 Ų | 90.3 | 79% | 0.785 | 51% | 0.513 | S | S | * | . | trans | -57.7 | 92.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | T685 | T685-A687 PolarHBondContact O-N 3.32Š| ||
| 688 | T | 51.8 | Low | 48.6 | Very low | 41 Ų | 41 | 82.8 Ų | 82.8 | 25% | 0.252 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 122.7 | 169.5 | 35.9 | 0 | 0 | 0 | 0 | 107.1 | I639 A686 N690 | I639-T688 VanDerWaalsContact CD1-OG1 3.23Å; I639-T688 WeakPolarHBondContact CD1-OG1 3.36Å; A686-T688 PolarHBondContact O-N 2.82Å; T688-N690 PolarHBondContact O-N 3.13Å |
| 689 | L | 52.3 | Low | 50.6 | Low | 37 Ų | 37 | 84.5 Ų | 84.5 | 19% | 0.194 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -53.9 | 132.6 | 176.7 | -74.6 | 158.4 | 0 | 0 | 0 | 109.6 | N651 C654 E693 | N651-L689 PolarHBondContact ND2-N 3.27Å; N651-L689 WeakPolarHBondContact OD1-CB 3.45Å; N651-L689 VanDerWaalsContact OD1-CD1 3.28Å; N651-L689 WeakPolarHBondContact OD1-CD1 3.46Å; N651-L689 VanDerWaalsContact OD1-CG 3.3Å; N651-L689 WeakPolarHBondContact OD1-CG 3.3Å; N651-L689 PolarHBondContact OD1-N 3.05Å; C654-L689 HydrophobicContact CB-CD1 4.3Å; L689-E693 HydrophobicContact CB-CB 4.48Å; L689-E693 HydrophobicContact CD2-CB 3.87Å |
| 690 | N | 63.1 | Low | 52.5 | Low | 53 Ų | 53 | 80.9 Ų | 80.9 | 28% | 0.283 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -60 | 141 | 168.1 | -175.4 | -18.1 | 0 | 0 | 0 | 108.3 | T688 D692 E693 A694 | T688-N690 PolarHBondContact O-N 3.13Å; N690-D692 PolarHBondContact O-N 3.45Å; N690-D692 PolarHBondContact OD1-N 2.97Å; N690-E693 HydrophobicContact CB-CB 4.28Å; N690-E693 HydrophobicContact CB-CG 3.98Å; N690-E693 PolarHBondContact N-OE2 3.12Å; N690-E693 CarbonylContact O-C 3.59Å; N690-E693 WeakPolarHBondContact O-CA 3.34Å; N690-E693 WeakPolarHBondContact O-CB 3.41Å; N690-E693 PolarHBondContact O-N 3.05Å; N690-A694 PolarHBondContact O-N 2.89Å |
| 691 | P | 64.6 | Low | 54.4 | Low | 6 Ų | 6 | 75.5 Ų | 75.5 | 4% | 0.039 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -51.3 | -33.9 | 177.4 | 16.4 | -32.4 | 0 | 0 | 0 | 113.1 | L650 A694 L695 V733 Q734 L737 | L650-P691 HydrophobicContact CD2-CB 4.38Å; P691-A694 PolarHBondContact O-N 3.25Å; P691-L695 WeakPolarHBondContact O-CB 3.21Å; P691-L695 PolarHBondContact O-N 2.84Å; P691-V733 HydrophobicContact CB-CG1 4.49Å; P691-V733 HydrophobicContact CG-CG1 4.23Å; P691-Q734 HydrophobicContact CB-CG 4.05Å; P691-Q734 HydrophobicContact CG-CG 4.29Å; P691-L737 HydrophobicContact CG-CD1 4.13Å |
| 692 | D | 65.9 | Low | 56.3 | Low | 75 Ų | 75 | 71.5 Ų | 71.5 | 40% | 0.401 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 173.6 | -71.8 | -17.9 | 0 | 0 | 0 | 112.6 | N690 N696 Q734 | N690-D692 PolarHBondContact O-N 3.45Å; N690-D692 PolarHBondContact OD1-N 2.97Å; D692-N696 WeakPolarHBondContact O-CB 3.39Å; D692-N696 PolarHBondContact O-N 3.43Å; D692-N696 PolarHBondContact O-ND2 3.41Å; D692-Q734 PolarHBondContact OD1-NE2 3.37Å |
| 693 | E | 68.2 | Low | 58.2 | Low | 96 Ų | 96 | 67.4 Ų | 67.4 | 45% | 0.449 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.3 | -40.5 | 175.7 | -69.1 | 170.8 | 173 | 0 | 0 | 111.3 | L689 N690 N696 T697 | L689-E693 HydrophobicContact CB-CB 4.48Å; L689-E693 HydrophobicContact CD2-CB 3.87Å; N690-E693 HydrophobicContact CB-CB 4.28Å; N690-E693 HydrophobicContact CB-CG 3.98Å; N690-E693 PolarHBondContact N-OE2 3.12Å; N690-E693 CarbonylContact O-C 3.59Å; N690-E693 WeakPolarHBondContact O-CA 3.34Å; N690-E693 WeakPolarHBondContact O-CB 3.41Å; N690-E693 PolarHBondContact O-N 3.05Å; E693-N696 PolarHBondContact O-N 3.34Å; E693-T697 WeakPolarHBondContact O-CB 3.36Å; E693-T697 PolarHBondContact O-N 3.21Å; E693-T697 PolarHBondContact O-OG1 3.39Å |
| 694 | A | 66.8 | Low | 60 | Low | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L650 N690 P691 N696 T697 C698 | L650-A694 HydrophobicContact CD1-CB 4.49Å; L650-A694 HydrophobicContact CD2-CB 3.34Å; L650-A694 HydrophobicContact CG-CB 3.74Å; N690-A694 PolarHBondContact O-N 2.89Å; P691-A694 PolarHBondContact O-N 3.25Å; A694-N696 VanDerWaalsContact C-N 3.35Å; A694-N696 PolarHBondContact O-N 3.02Å; A694-T697 WeakPolarHBondContact O-CB 3.39Å; A694-T697 PolarHBondContact O-N 2.99Å; A694-C698 WeakPolarHBondContact O-CB 3.44Å; A694-C698 PolarHBondContact O-N 3.13Å |
| 695 | L | 68.2 | Low | 61.4 | Low | 16 Ų | 16 | 62.3 Ų | 62.3 | 8% | 0.084 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61 | -40.9 | 173 | -96.8 | 145.8 | 0 | 0 | 0 | 112.2 | P691 C698 R699 E727 A730 | P691-L695 WeakPolarHBondContact O-CB 3.21Å; P691-L695 PolarHBondContact O-N 2.84Å; L695-C698 WeakPolarHBondContact O-CB 3.35Å; L695-C698 PolarHBondContact O-N 3.19Å; L695-R699 WeakPolarHBondContact O-CB 3.48Å; L695-R699 VanDerWaalsContact O-CG 3.29Å; L695-R699 WeakPolarHBondContact O-CG 3.12Å; L695-R699 PolarHBondContact O-N 3.21Å; L695-E727 HydrophobicContact CD2-CG 4.36Å; L695-A730 HydrophobicContact CD1-CB 3.57Å; L695-A730 HydrophobicContact CG-CB 4Å |
| 696 | N | 69.9 | Low | 62.6 | Low | 81 Ų | 81 | 61 Ų | 61 | 43% | 0.433 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.8 | -39 | 176 | -73.5 | -20.9 | 0 | 0 | 0 | 112 | D692 E693 A694 R699 M700 | D692-N696 WeakPolarHBondContact O-CB 3.39Å; D692-N696 PolarHBondContact O-N 3.43Å; D692-N696 PolarHBondContact O-ND2 3.41Å; E693-N696 PolarHBondContact O-N 3.34Å; A694-N696 VanDerWaalsContact C-N 3.35Å; A694-N696 PolarHBondContact O-N 3.02Å; N696-R699 PolarHBondContact O-N 3.47Å; N696-R699 PolarHBondContact OD1-NH1 3.48Å; N696-M700 WeakPolarHBondContact O-CB 3.41Å; N696-M700 VanDerWaalsContact O-CG 3.29Å; N696-M700 WeakPolarHBondContact O-CG 3.38Å; N696-M700 PolarHBondContact O-N 2.97Å |
| 697 | T | 66.5 | Low | 63.4 | Low | 35 Ų | 35 | 66.4 Ų | 66.4 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 175.2 | -49.8 | 0 | 0 | 0 | 0 | 109.8 | E693 A694 M700 L701 | E693-T697 WeakPolarHBondContact O-CB 3.36Å; E693-T697 PolarHBondContact O-N 3.21Å; E693-T697 PolarHBondContact O-OG1 3.39Å; A694-T697 WeakPolarHBondContact O-CB 3.39Å; A694-T697 PolarHBondContact O-N 2.99Å; T697-M700 PolarHBondContact O-N 3.27Å; T697-L701 HydrophobicContact CG2-CD1 4.06Å; T697-L701 WeakPolarHBondContact O-CB 3.4Å; T697-L701 VanDerWaalsContact O-CG 3.25Å; T697-L701 WeakPolarHBondContact O-CG 3.07Å; T697-L701 PolarHBondContact O-N 3.38Å |
| 698 | C | 66.5 | Low | 63.9 | Low | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.014 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.8 | -49.9 | 173.3 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | A694 L695 M700 L701 K702 V726 | A694-C698 WeakPolarHBondContact O-CB 3.44Å; A694-C698 PolarHBondContact O-N 3.13Å; L695-C698 WeakPolarHBondContact O-CB 3.35Å; L695-C698 PolarHBondContact O-N 3.19Å; C698-M700 PolarHBondContact O-N 2.8Å; C698-L701 PolarHBondContact O-N 3.18Å; C698-K702 WeakPolarHBondContact O-CB 3.25Å; C698-K702 PolarHBondContact O-N 3.28Å; C698-V726 HydrophobicContact CB-CG1 4.1Å |
| 699 | R | 69.7 | Low | 63.4 | Low | 131 Ų | 131 | 68.1 Ų | 68.1 | 49% | 0.494 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 176.9 | -73.2 | 176.3 | -170.6 | 131.2 | 0.8 | 113 | L695 N696 K702 Q703 | L695-R699 WeakPolarHBondContact O-CB 3.48Å; L695-R699 VanDerWaalsContact O-CG 3.29Å; L695-R699 WeakPolarHBondContact O-CG 3.12Å; L695-R699 PolarHBondContact O-N 3.21Å; N696-R699 PolarHBondContact O-N 3.47Å; N696-R699 PolarHBondContact OD1-NH1 3.48Å; R699-K702 WeakPolarHBondContact O-CB 3.49Å; R699-K702 PolarHBondContact O-N 2.88Å; R699-Q703 PolarHBondContact O-N 3.41Å |
| 700 | M | 66.9 | Low | 63 | Low | 116 Ų | 116 | 73.1 Ų | 73.1 | 57% | 0.571 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65.7 | -43.6 | 176.6 | -76.3 | -165.1 | 76.7 | 0 | 0 | 111 | N696 T697 C698 K702 Q703 V704 | N696-M700 WeakPolarHBondContact O-CB 3.41Å; N696-M700 VanDerWaalsContact O-CG 3.29Å; N696-M700 WeakPolarHBondContact O-CG 3.38Å; N696-M700 PolarHBondContact O-N 2.97Å; T697-M700 PolarHBondContact O-N 3.27Å; C698-M700 PolarHBondContact O-N 2.8Å; M700-K702 VanDerWaalsContact C-N 3.31Å; M700-K702 PolarHBondContact O-N 3.29Å; M700-Q703 WeakPolarHBondContact O-CB 3.35Å; M700-Q703 PolarHBondContact O-N 2.83Å; M700-Q703 VanDerWaalsContact O-N 3.15Å; M700-V704 WeakPolarHBondContact O-CG2 3.37Å; M700-V704 PolarHBondContact O-N 3.05Å |
| 701 | L | 65.6 | Low | 62.1 | Low | 16 Ų | 16 | 74.1 Ų | 74.1 | 8% | 0.084 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 175.7 | -69.1 | 165.9 | 0 | 0 | 0 | 111.3 | L657 A658 V661 T697 C698 Q703 V704 I705 | L657-L701 HydrophobicContact CB-CD1 4.2Å; L657-L701 HydrophobicContact CD2-CB 4.22Å; L657-L701 HydrophobicContact CD2-CD1 3.56Å; L657-L701 HydrophobicContact CG-CD1 3.81Å; A658-L701 HydrophobicContact CB-CD1 4.46Å; V661-L701 HydrophobicContact CB-CD2 3.94Å; V661-L701 HydrophobicContact CG1-CD2 3.94Å; V661-L701 HydrophobicContact CG2-CD2 3.94Å; T697-L701 HydrophobicContact CG2-CD1 4.06Å; T697-L701 WeakPolarHBondContact O-CB 3.4Å; T697-L701 VanDerWaalsContact O-CG 3.25Å; T697-L701 WeakPolarHBondContact O-CG 3.07Å; T697-L701 PolarHBondContact O-N 3.38Å; C698-L701 PolarHBondContact O-N 3.18Å; L701-Q703 VanDerWaalsContact C-N 3.34Å; L701-Q703 PolarHBondContact O-N 3.26Å; L701-V704 PolarHBondContact O-N 3.33Å; L701-V704 VanDerWaalsContact O-N 3.09Å; L701-I705 VanDerWaalsContact O-CG1 3.32Å; L701-I705 WeakPolarHBondContact O-CG1 3.16Å; L701-I705 PolarHBondContact O-N 3.09Å |
| 702 | K | 66.7 | Low | 61.2 | Low | 92 Ų | 92 | 79.2 Ų | 79.2 | 40% | 0.4 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.2 | -40 | 172 | -168.8 | 175.4 | -175.1 | 171.1 | 0 | 113 | C698 R699 M700 S706 | C698-K702 WeakPolarHBondContact O-CB 3.25Å; C698-K702 PolarHBondContact O-N 3.28Å; R699-K702 WeakPolarHBondContact O-CB 3.49Å; R699-K702 PolarHBondContact O-N 2.88Å; M700-K702 VanDerWaalsContact C-N 3.31Å; M700-K702 PolarHBondContact O-N 3.29Å; K702-S706 WeakPolarHBondContact O-CB 3.37Å; K702-S706 PolarHBondContact O-N 3.39Å; K702-S706 PolarHBondContact O-OG 3.15Å |
| 703 | Q | 66 | Low | 60.4 | Low | 112 Ų | 112 | 80.3 Ų | 80.3 | 52% | 0.523 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.8 | -33.5 | 174.2 | -73.4 | -174.6 | 2.1 | 0 | 0 | 112.8 | R699 M700 L701 S706 R707 | R699-Q703 PolarHBondContact O-N 3.41Å; M700-Q703 WeakPolarHBondContact O-CB 3.35Å; M700-Q703 PolarHBondContact O-N 2.83Å; M700-Q703 VanDerWaalsContact O-N 3.15Å; L701-Q703 VanDerWaalsContact C-N 3.34Å; L701-Q703 PolarHBondContact O-N 3.26Å; Q703-S706 WeakPolarHBondContact CA-OG 3.42Å; Q703-S706 PolarHBondContact O-OG 3.08Å; Q703-S706 VanDerWaalsContact O-OG 3.09Å; Q703-R707 VanDerWaalsContact O-CG 3.31Å; Q703-R707 WeakPolarHBondContact O-CG 3.28Å; Q703-R707 PolarHBondContact O-N 3.49Å |
| 704 | V | 63.5 | Low | 59.5 | Low | 48 Ų | 48 | 79.2 Ų | 79.2 | 29% | 0.291 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70.5 | -44.4 | 176.1 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | V661 M700 L701 S706 R707 G708 | V661-V704 HydrophobicContact CG1-CG1 4.16Å; M700-V704 WeakPolarHBondContact O-CG2 3.37Å; M700-V704 PolarHBondContact O-N 3.05Å; L701-V704 PolarHBondContact O-N 3.33Å; L701-V704 VanDerWaalsContact O-N 3.09Å; V704-S706 PolarHBondContact O-N 2.85Å; V704-R707 PolarHBondContact O-N 3.01Å; V704-G708 PolarHBondContact O-N 3.33Å |
| 705 | I | 64.6 | Low | 59.1 | Low | 58 Ų | 58 | 85.3 Ų | 85.3 | 30% | 0.297 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 177.7 | -66.1 | 165.3 | 0 | 0 | 0 | 110.7 | V661 L701 R707 G708 | V661-I705 HydrophobicContact CG2-CD1 4.19Å; V661-I705 HydrophobicContact CG2-CG1 4.27Å; L701-I705 VanDerWaalsContact O-CG1 3.32Å; L701-I705 WeakPolarHBondContact O-CG1 3.16Å; L701-I705 PolarHBondContact O-N 3.09Å; I705-R707 VanDerWaalsContact C-N 3.34Å; I705-R707 PolarHBondContact O-N 3.04Å; I705-G708 PolarHBondContact O-N 2.65Å |
| 706 | S | 63.9 | Low | 58.9 | Low | 89 Ų | 89 | 87.8 Ų | 87.8 | 62% | 0.622 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.4 | -25 | -179.6 | 52.5 | 0 | 0 | 0 | 0 | 114.6 | K702 Q703 V704 | K702-S706 WeakPolarHBondContact O-CB 3.37Å; K702-S706 PolarHBondContact O-N 3.39Å; K702-S706 PolarHBondContact O-OG 3.15Å; Q703-S706 WeakPolarHBondContact CA-OG 3.42Å; Q703-S706 PolarHBondContact O-OG 3.08Å; Q703-S706 VanDerWaalsContact O-OG 3.09Å; V704-S706 PolarHBondContact O-N 2.85Å |
| 707 | R | 56.1 | Low | 58.8 | Low | 196 Ų | 196 | 87.4 Ų | 87.4 | 74% | 0.74 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -84.2 | -17.1 | 176.9 | -73.3 | 177.6 | 179.3 | -176.5 | 2.3 | 113.8 | Q703 V704 I705 T709 | Q703-R707 VanDerWaalsContact O-CG 3.31Å; Q703-R707 WeakPolarHBondContact O-CG 3.28Å; Q703-R707 PolarHBondContact O-N 3.49Å; V704-R707 PolarHBondContact O-N 3.01Å; I705-R707 VanDerWaalsContact C-N 3.34Å; I705-R707 PolarHBondContact O-N 3.04Å; R707-T709 PolarHBondContact O-N 3.18Å |
| 708 | G | 54.6 | Low | 59 | Low | 47 Ų | 47 | 89.8 Ų | 89.8 | 49% | 0.485 | 51% | 0.51 | S | S | . | . | trans | -77.6 | 74.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V704 I705 T710 | V704-G708 PolarHBondContact O-N 3.33Å; I705-G708 PolarHBondContact O-N 2.65Å; G708-T710 PolarHBondContact O-N 3.23Å | ||
| 709 | T | 42 | Very low | 59.1 | Low | 125 Ų | 125 | 90.4 Ų | 90.4 | 77% | 0.767 | 51% | 0.514 | S | S | * | . | trans | -65.3 | 123.6 | 164.7 | 40.9 | 0 | 0 | 0 | 0 | 109.2 | R707 | R707-T709 PolarHBondContact O-N 3.18Š| ||
| 710 | T | 43.7 | Very low | 59.2 | Low | 141 Ų | 141 | 89.4 Ų | 89.4 | 87% | 0.865 | 51% | 0.513 | S | S | * | . | trans | 91.1 | 65.2 | -179.9 | 80 | 0 | 0 | 0 | 0 | 117.2 | G708 | G708-T710 PolarHBondContact O-N 3.23Š| ||
| 711 | V | 43.6 | Very low | 59.7 | Low | 74 Ų | 74 | 86.3 Ų | 86.3 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | trans | -132.2 | 88.4 | 157.3 | -173.2 | 0 | 0 | 0 | 0 | 109 | S713 L714 | V711-S713 PolarHBondContact O-N 3.38Å; V711-L714 HydrophobicContact CB-CD1 3.74Å; V711-L714 HydrophobicContact CB-CG 4.49Å; V711-L714 HydrophobicContact CG1-CD1 3.53Å; V711-L714 HydrophobicContact CG1-CG 3.8Å; V711-L714 HydrophobicContact CG2-CD1 4.44Å | ||
| 712 | A | 46.1 | Very low | 60.2 | Low | 113 Ų | 113 | 86 Ų | 86 | 93% | 0.934 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 31.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 713 | S | 49.7 | Very low | 60.5 | Low | 99 Ų | 99 | 82 Ų | 82 | 69% | 0.692 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -159.4 | 32.2 | 177.6 | 58.7 | 0 | 0 | 0 | 0 | 115.4 | V711 | V711-S713 PolarHBondContact O-N 3.38Š|
| 714 | L | 49.1 | Very low | 61 | Low | 72 Ų | 72 | 80.4 Ų | 80.4 | 38% | 0.377 | 49% | 0.488 | S | S | . | . | trans | -86.1 | 130.9 | 172.9 | -86 | 154.5 | 0 | 0 | 0 | 111 | V711 V716 | V711-L714 HydrophobicContact CB-CD1 3.74Å; V711-L714 HydrophobicContact CB-CG 4.49Å; V711-L714 HydrophobicContact CG1-CD1 3.53Å; V711-L714 HydrophobicContact CG1-CG 3.8Å; V711-L714 HydrophobicContact CG2-CD1 4.44Å; L714-V716 HydrophobicContact CB-CG2 3.78Å; L714-V716 PolarHBondContact O-N 2.79Å | ||
| 715 | D | 57.7 | Low | 61.7 | Low | 128 Ų | 128 | 83 Ų | 83 | 68% | 0.684 | 50% | 0.497 | S | S | * | . | trans | -68.4 | 70.3 | 155.1 | -80.2 | -42.8 | 0 | 0 | 0 | 108.4 | A717 E718 | D715-A717 PolarHBondContact O-N 2.89Å; D715-E718 HydrophobicContact CB-CB 4.45Å; D715-E718 PolarHBondContact O-N 2.76Å | ||
| 716 | V | 64.6 | Low | 62.3 | Low | 69 Ų | 69 | 80.2 Ų | 80.2 | 42% | 0.418 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -50 | -28.9 | 174.7 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | L714 F720 | L714-V716 HydrophobicContact CB-CG2 3.78Å; L714-V716 PolarHBondContact O-N 2.79Å; V716-F720 HydrophobicContact CG1-CD2 3.38Å; V716-F720 HydrophobicContact CG1-CE2 3.1Å; V716-F720 HydrophobicContact CG1-CZ 4.17Å; V716-F720 WeakPolarHBondContact O-CD2 3.44Å; V716-F720 PolarHBondContact O-N 3.34Å |
| 717 | A | 67.6 | Low | 62.9 | Low | 72 Ų | 72 | 79.9 Ų | 79.9 | 60% | 0.595 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.4 | -40.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D715 A721 | D715-A717 PolarHBondContact O-N 2.89Å; A717-A721 VanDerWaalsContact O-CB 3.27Å; A717-A721 WeakPolarHBondContact O-CB 3.41Å; A717-A721 PolarHBondContact O-N 3.3Å |
| 718 | E | 71.8 | Confident | 63.9 | Low | 86 Ų | 86 | 72.1 Ų | 72.1 | 40% | 0.402 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71 | -39 | 179.6 | -167.2 | -176.6 | 176.7 | 0 | 0 | 110.8 | K656 D715 A721 L722 | K656-E718 IonicContact NZ-OE1 3.75Å; K656-E718 PolarHBondContact NZ-OE1 2.77Å; D715-E718 HydrophobicContact CB-CB 4.45Å; D715-E718 PolarHBondContact O-N 2.76Å; E718-A721 PolarHBondContact O-N 3.43Å; E718-L722 WeakPolarHBondContact O-CB 3.16Å; E718-L722 PolarHBondContact O-N 3.31Å |
| 719 | C | 67.4 | Low | 65 | Low | 14 Ų | 14 | 70.4 Ų | 70.4 | 10% | 0.095 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.5 | -49.7 | 174.6 | -67.9 | 0 | 0 | 0 | 0 | 110.9 | A721 L722 E723 | C719-A721 VanDerWaalsContact C-N 3.31Å; C719-A721 PolarHBondContact O-N 3.45Å; C719-L722 PolarHBondContact O-N 3.12Å; C719-E723 WeakPolarHBondContact O-CB 3.46Å; C719-E723 VanDerWaalsContact O-CG 3.23Å; C719-E723 WeakPolarHBondContact O-CG 3.07Å; C719-E723 PolarHBondContact O-N 2.92Å |
| 720 | F | 71.2 | Confident | 66.7 | Low | 111 Ų | 111 | 64.4 Ų | 64.4 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 177.2 | -77 | -52.4 | 0 | 0 | 0 | 113.2 | V716 E723 S724 | V716-F720 HydrophobicContact CG1-CD2 3.38Å; V716-F720 HydrophobicContact CG1-CE2 3.1Å; V716-F720 HydrophobicContact CG1-CZ 4.17Å; V716-F720 WeakPolarHBondContact O-CD2 3.44Å; V716-F720 PolarHBondContact O-N 3.34Å; F720-E723 WeakPolarHBondContact CD1-OE2 3.43Å; F720-S724 WeakPolarHBondContact O-CB 3.33Å; F720-S724 PolarHBondContact O-N 3.25Å |
| 721 | A | 77.9 | Confident | 68.2 | Low | 51 Ų | 51 | 59.8 Ų | 59.8 | 42% | 0.421 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A717 E718 C719 S724 Q725 | A717-A721 VanDerWaalsContact O-CB 3.27Å; A717-A721 WeakPolarHBondContact O-CB 3.41Å; A717-A721 PolarHBondContact O-N 3.3Å; E718-A721 PolarHBondContact O-N 3.43Å; C719-A721 VanDerWaalsContact C-N 3.31Å; C719-A721 PolarHBondContact O-N 3.45Å; A721-S724 PolarHBondContact O-N 3.05Å; A721-Q725 WeakPolarHBondContact O-CG 3.34Å; A721-Q725 PolarHBondContact O-N 2.9Å |
| 722 | L | 76 | Confident | 69.7 | Low | 10 Ų | 10 | 61.5 Ų | 61.5 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 177.5 | -142.7 | 91.5 | 0 | 0 | 0 | 111.4 | M653 K656 L657 E718 C719 S724 Q725 V726 | M653-L722 WeakPolarHBondContact O-CD2 3.42Å; K656-L722 HydrophobicContact CB-CD2 4.1Å; K656-L722 HydrophobicContact CD-CD1 3.97Å; K656-L722 HydrophobicContact CD-CD2 4.19Å; K656-L722 HydrophobicContact CG-CD2 4.18Å; L657-L722 HydrophobicContact CB-CD2 3.95Å; L657-L722 HydrophobicContact CD1-CB 4.26Å; L657-L722 HydrophobicContact CD1-CD2 4.07Å; E718-L722 WeakPolarHBondContact O-CB 3.16Å; E718-L722 PolarHBondContact O-N 3.31Å; C719-L722 PolarHBondContact O-N 3.12Å; L722-S724 VanDerWaalsContact C-N 3.34Å; L722-S724 PolarHBondContact O-N 2.67Å; L722-Q725 PolarHBondContact O-N 2.73Å; L722-V726 WeakPolarHBondContact O-CG2 2.97Å; L722-V726 PolarHBondContact O-N 3.12Å |
| 723 | E | 73.6 | Confident | 71.3 | Confident | 8 Ų | 8 | 56.1 Ų | 56.1 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.9 | -47.7 | 172.6 | -76.1 | 175.7 | -169.1 | 0 | 0 | 111 | L657 C719 F720 Q725 V726 E727 | L657-E723 HydrophobicContact CD1-CG 4.17Å; L657-E723 HydrophobicContact CD2-CG 4.36Å; C719-E723 WeakPolarHBondContact O-CB 3.46Å; C719-E723 VanDerWaalsContact O-CG 3.23Å; C719-E723 WeakPolarHBondContact O-CG 3.07Å; C719-E723 PolarHBondContact O-N 2.92Å; F720-E723 WeakPolarHBondContact CD1-OE2 3.43Å; E723-Q725 VanDerWaalsContact C-N 3.29Å; E723-Q725 PolarHBondContact O-N 3.16Å; E723-V726 PolarHBondContact O-N 2.95Å; E723-E727 WeakPolarHBondContact O-CG 3.3Å; E723-E727 PolarHBondContact O-N 3.08Å |
| 724 | S | 75.5 | Confident | 72.7 | Confident | 77 Ų | 77 | 53.5 Ų | 53.5 | 54% | 0.538 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.8 | -35 | 177.6 | -174.6 | 0 | 0 | 0 | 0 | 112.6 | F720 A721 L722 G728 | F720-S724 WeakPolarHBondContact O-CB 3.33Å; F720-S724 PolarHBondContact O-N 3.25Å; A721-S724 PolarHBondContact O-N 3.05Å; L722-S724 VanDerWaalsContact C-N 3.34Å; L722-S724 PolarHBondContact O-N 2.67Å; S724-G728 PolarHBondContact O-N 3.12Å |
| 725 | Q | 79.6 | Confident | 74.1 | Confident | 103 Ų | 103 | 53.4 Ų | 53.4 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.5 | -42.2 | 175.3 | -73.4 | 176.7 | -5.9 | 0 | 0 | 111.8 | M653 A721 L722 E723 G728 A729 | M653-Q725 HydrophobicContact CE-CB 4.08Å; M653-Q725 HydrophobicContact SD-CB 4.05Å; A721-Q725 WeakPolarHBondContact O-CG 3.34Å; A721-Q725 PolarHBondContact O-N 2.9Å; L722-Q725 PolarHBondContact O-N 2.73Å; E723-Q725 VanDerWaalsContact C-N 3.29Å; E723-Q725 PolarHBondContact O-N 3.16Å; Q725-G728 PolarHBondContact O-N 3.3Å; Q725-A729 WeakPolarHBondContact O-CB 3.48Å; Q725-A729 PolarHBondContact O-N 3.37Å |
| 726 | V | 77.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -45.8 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | L650 M653 C698 L722 E723 A730 | L650-V726 HydrophobicContact CD1-CB 4.44Å; L650-V726 HydrophobicContact CD1-CG1 3.9Å; L650-V726 WeakPolarHBondContact CD1-O 3.48Å; M653-V726 HydrophobicContact CB-CG2 3.56Å; M653-V726 HydrophobicContact CG-CG2 4.48Å; M653-V726 HydrophobicContact SD-CG2 4.26Å; C698-V726 HydrophobicContact CB-CG1 4.1Å; L722-V726 WeakPolarHBondContact O-CG2 2.97Å; L722-V726 PolarHBondContact O-N 3.12Å; E723-V726 PolarHBondContact O-N 2.95Å; V726-A730 WeakPolarHBondContact O-CB 3.27Å; V726-A730 PolarHBondContact O-N 3.07Å |
| 727 | E | 75.5 | Confident | 75.9 | Confident | 81 Ų | 81 | 46.4 Ų | 46.4 | 38% | 0.379 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 177.5 | -73.1 | -178.6 | 170.1 | 0 | 0 | 111.6 | L695 E723 A731 | L695-E727 HydrophobicContact CD2-CG 4.36Å; E723-E727 WeakPolarHBondContact O-CG 3.3Å; E723-E727 PolarHBondContact O-N 3.08Å; E727-A731 WeakPolarHBondContact O-CB 3.17Å; E727-A731 PolarHBondContact O-N 3.06Å |
| 728 | G | 77.6 | Confident | 76.7 | Confident | 33 Ų | 33 | 44.5 Ų | 44.5 | 34% | 0.34 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.6 | -50.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S724 Q725 A730 A731 E732 | S724-G728 PolarHBondContact O-N 3.12Å; Q725-G728 PolarHBondContact O-N 3.3Å; G728-A730 VanDerWaalsContact C-N 3.34Å; G728-A730 PolarHBondContact O-N 3.16Å; G728-A731 PolarHBondContact O-N 2.86Å; G728-E732 PolarHBondContact O-N 3.43Å |
| 729 | A | 76.6 | Confident | 77.3 | Confident | 11 Ų | 11 | 41.3 Ų | 41.3 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.9 | -39.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L650 Q725 E732 V733 | L650-A729 HydrophobicContact CD1-CB 4Å; Q725-A729 WeakPolarHBondContact O-CB 3.48Å; Q725-A729 PolarHBondContact O-N 3.37Å; A729-E732 PolarHBondContact O-N 3.03Å; A729-V733 WeakPolarHBondContact O-CG2 3.33Å; A729-V733 PolarHBondContact O-N 3.41Å; A729-V733 VanDerWaalsContact O-N 3.15Å |
| 730 | A | 77.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.7 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L650 L695 V726 G728 V733 Q734 | L650-A730 HydrophobicContact CD1-CB 3.96Å; L650-A730 HydrophobicContact CD2-CB 4.26Å; L695-A730 HydrophobicContact CD1-CB 3.57Å; L695-A730 HydrophobicContact CG-CB 4Å; V726-A730 WeakPolarHBondContact O-CB 3.27Å; V726-A730 PolarHBondContact O-N 3.07Å; G728-A730 VanDerWaalsContact C-N 3.34Å; G728-A730 PolarHBondContact O-N 3.16Å; A730-V733 PolarHBondContact O-N 3.46Å; A730-Q734 WeakPolarHBondContact O-CB 3.42Å; A730-Q734 VanDerWaalsContact O-CG 3.27Å; A730-Q734 WeakPolarHBondContact O-CG 3.25Å; A730-Q734 PolarHBondContact O-N 2.88Å |
| 731 | A | 76.6 | Confident | 78.9 | Confident | 44 Ų | 44 | 38.4 Ų | 38.4 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E727 G728 V733 Q734 V735 | E727-A731 WeakPolarHBondContact O-CB 3.17Å; E727-A731 PolarHBondContact O-N 3.06Å; G728-A731 PolarHBondContact O-N 2.86Å; A731-V733 PolarHBondContact O-N 3.47Å; A731-Q734 PolarHBondContact O-N 3.42Å; A731-V735 WeakPolarHBondContact O-CG2 3.12Å; A731-V735 PolarHBondContact O-N 3.48Å |
| 732 | E | 74.8 | Confident | 79.5 | Confident | 109 Ų | 109 | 36 Ų | 36 | 51% | 0.509 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 177.4 | -71.2 | 180 | 178.8 | 0 | 0 | 112.5 | K646 G728 A729 V735 A736 | K646-E732 WeakPolarHBondContact CE-OE2 3.45Å; K646-E732 IonicContact NZ-OE2 2.96Å; K646-E732 PolarHBondContact NZ-OE2 2.62Å; G728-E732 PolarHBondContact O-N 3.43Å; A729-E732 PolarHBondContact O-N 3.03Å; E732-V735 PolarHBondContact O-N 2.81Å; E732-A736 PolarHBondContact O-N 2.73Å |
| 733 | V | 78.5 | Confident | 80.1 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.9 | -41 | 175.6 | 174.1 | 0 | 0 | 0 | 0 | 111 | T643 K646 L647 P691 A729 A730 A731 V735 A736 L737 | T643-V733 HydrophobicContact CG2-CG1 4.41Å; K646-V733 HydrophobicContact CB-CG2 3.52Å; K646-V733 HydrophobicContact CD-CG2 4.13Å; K646-V733 HydrophobicContact CG-CG2 4.47Å; L647-V733 HydrophobicContact CD2-CG1 3.99Å; L647-V733 HydrophobicContact CG-CG1 4.19Å; P691-V733 HydrophobicContact CB-CG1 4.49Å; P691-V733 HydrophobicContact CG-CG1 4.23Å; A729-V733 WeakPolarHBondContact O-CG2 3.33Å; A729-V733 PolarHBondContact O-N 3.41Å; A729-V733 VanDerWaalsContact O-N 3.15Å; A730-V733 PolarHBondContact O-N 3.46Å; A731-V733 PolarHBondContact O-N 3.47Å; V733-V735 PolarHBondContact O-N 3.41Å; V733-A736 PolarHBondContact O-N 3.47Å; V733-L737 HydrophobicContact CG1-CD1 3.81Å; V733-L737 HydrophobicContact CG1-CG 4.25Å; V733-L737 WeakPolarHBondContact O-CB 3.41Å; V733-L737 VanDerWaalsContact O-CG 3.31Å; V733-L737 WeakPolarHBondContact O-CG 3.48Å; V733-L737 PolarHBondContact O-N 2.74Å |
| 734 | Q | 79.2 | Confident | 80.8 | Confident | 43 Ų | 43 | 35.5 Ų | 35.5 | 20% | 0.201 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.3 | -37.3 | 178 | -78.3 | 177.7 | -12.5 | 0 | 0 | 112.6 | P691 D692 A730 A731 R738 | P691-Q734 HydrophobicContact CB-CG 4.05Å; P691-Q734 HydrophobicContact CG-CG 4.29Å; D692-Q734 PolarHBondContact OD1-NE2 3.37Å; A730-Q734 WeakPolarHBondContact O-CB 3.42Å; A730-Q734 VanDerWaalsContact O-CG 3.27Å; A730-Q734 WeakPolarHBondContact O-CG 3.25Å; A730-Q734 PolarHBondContact O-N 2.88Å; A731-Q734 PolarHBondContact O-N 3.42Å; Q734-R738 WeakPolarHBondContact O-CB 3.18Å; Q734-R738 PolarHBondContact O-N 3.24Å |
| 735 | V | 79.9 | Confident | 81.5 | Confident | 70 Ų | 70 | 32 Ų | 32 | 42% | 0.424 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.4 | -50.4 | 175.5 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | A731 E732 V733 L737 R738 E739 | A731-V735 WeakPolarHBondContact O-CG2 3.12Å; A731-V735 PolarHBondContact O-N 3.48Å; E732-V735 PolarHBondContact O-N 2.81Å; V733-V735 PolarHBondContact O-N 3.41Å; V735-L737 PolarHBondContact O-N 2.98Å; V735-R738 WeakPolarHBondContact O-CB 3.3Å; V735-R738 PolarHBondContact O-N 3.12Å; V735-E739 PolarHBondContact O-N 3.02Å |
| 736 | A | 78.1 | Confident | 82 | Confident | 22 Ų | 22 | 27 Ų | 27 | 18% | 0.182 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.6 | -45.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L597 T643 E732 V733 R738 E739 V740 | L597-A736 HydrophobicContact CD2-CB 3.94Å; T643-A736 HydrophobicContact CG2-CB 4.24Å; E732-A736 PolarHBondContact O-N 2.73Å; V733-A736 PolarHBondContact O-N 3.47Å; A736-R738 VanDerWaalsContact C-N 3.34Å; A736-R738 PolarHBondContact O-N 2.69Å; A736-E739 PolarHBondContact O-N 3.27Å; A736-V740 PolarHBondContact O-N 2.94Å |
| 737 | L | 81.3 | Confident | 82.6 | Confident | 28 Ų | 28 | 27 Ų | 27 | 15% | 0.147 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65 | -37.5 | 176.6 | -70 | 176.2 | 0 | 0 | 0 | 112 | Y640 T643 P691 V733 V735 N741 | Y640-L737 HydrophobicContact CD2-CD2 3.52Å; Y640-L737 HydrophobicContact CE2-CD2 3.55Å; T643-L737 HydrophobicContact CG2-CD2 4.45Å; P691-L737 HydrophobicContact CG-CD1 4.13Å; V733-L737 HydrophobicContact CG1-CD1 3.81Å; V733-L737 HydrophobicContact CG1-CG 4.25Å; V733-L737 WeakPolarHBondContact O-CB 3.41Å; V733-L737 VanDerWaalsContact O-CG 3.31Å; V733-L737 WeakPolarHBondContact O-CG 3.48Å; V733-L737 PolarHBondContact O-N 2.74Å; V735-L737 PolarHBondContact O-N 2.98Å; L737-N741 WeakPolarHBondContact O-CB 3.25Å; L737-N741 PolarHBondContact O-N 3.16Å; L737-N741 VanDerWaalsContact O-N 3.11Å; L737-N741 PolarHBondContact O-ND2 3.35Å |
| 738 | R | 83.9 | Confident | 83.2 | Confident | 33 Ų | 33 | 23.2 Ų | 23.2 | 13% | 0.125 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.6 | -43.8 | 178.5 | -176 | -175.1 | -57.4 | 155.5 | 1.5 | 111.2 | Q734 V735 A736 N741 V742 Y768 E771 | Q734-R738 WeakPolarHBondContact O-CB 3.18Å; Q734-R738 PolarHBondContact O-N 3.24Å; V735-R738 WeakPolarHBondContact O-CB 3.3Å; V735-R738 PolarHBondContact O-N 3.12Å; A736-R738 VanDerWaalsContact C-N 3.34Å; A736-R738 PolarHBondContact O-N 2.69Å; R738-N741 PolarHBondContact O-N 2.82Å; R738-V742 HydrophobicContact CG-CG2 4.36Å; R738-V742 WeakPolarHBondContact O-CB 3.46Å; R738-V742 WeakPolarHBondContact O-CG2 3.48Å; R738-V742 PolarHBondContact O-N 2.86Å; R738-Y768 HydrophobicContact CG-CD2 4.07Å; R738-E771 IonicContact CZ-OE2 2.64Å; R738-E771 IonicContact NH1-OE2 3.26Å; R738-E771 PolarHBondContact NH1-OE2 3.18Å; R738-E771 IonicContact NH2-OE1 2.88Å; R738-E771 IonicContact NH2-OE2 2.82Å; R738-E771 PolarHBondContact NH2-OE2 2.95Å |
| 739 | E | 84.3 | Confident | 83.7 | Confident | 18 Ų | 18 | 21.6 Ų | 21.6 | 8% | 0.084 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.2 | -49.6 | -180 | -171.8 | 169.4 | 180 | 0 | 0 | 111.6 | Q549 I601 V735 A736 N741 V742 W743 I777 | Q549-E739 PolarHBondContact NE2-OE2 3.46Å; I601-E739 HydrophobicContact CD1-CG 4.31Å; V735-E739 PolarHBondContact O-N 3.02Å; A736-E739 PolarHBondContact O-N 3.27Å; E739-N741 PolarHBondContact O-N 3.3Å; E739-V742 PolarHBondContact O-N 3.04Å; E739-W743 VanDerWaalsContact O-CD1 3.24Å; E739-W743 PolarHBondContact O-N 3.04Å; E739-I777 HydrophobicContact CG-CD1 4.3Å |
| 740 | V | 85.8 | Confident | 84.2 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.4 | -46.2 | 177.1 | 177.4 | 0 | 0 | 0 | 0 | 112.5 | L597 I601 Y640 A736 V742 W743 M744 | L597-V740 HydrophobicContact CD1-CB 4.14Å; L597-V740 HydrophobicContact CD1-CG2 3.17Å; L597-V740 HydrophobicContact CD2-CG2 4.28Å; L597-V740 HydrophobicContact CG-CG2 3.41Å; L597-V740 VanDerWaalsContact CG-CG2 3.41Å; I601-V740 HydrophobicContact CD1-CG2 3.66Å; I601-V740 HydrophobicContact CG1-CG2 3.48Å; I601-V740 VanDerWaalsContact CG1-CG2 3.48Å; Y640-V740 HydrophobicContact CE1-CG1 4.41Å; Y640-V740 WeakPolarHBondContact OH-CG1 3.45Å; A736-V740 PolarHBondContact O-N 2.94Å; V740-V742 PolarHBondContact O-N 3.24Å; V740-W743 PolarHBondContact O-N 3.4Å; V740-M744 HydrophobicContact CG1-CG 3.93Å; V740-M744 WeakPolarHBondContact O-CB 3.28Å; V740-M744 VanDerWaalsContact O-CG 3.25Å; V740-M744 WeakPolarHBondContact O-CG 2.99Å; V740-M744 PolarHBondContact O-N 2.99Å |
| 741 | N | 86.8 | Confident | 84.5 | Confident | 64 Ų | 64 | 22.4 Ų | 22.4 | 34% | 0.342 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -61.7 | -33.6 | -178.8 | -74.9 | -41 | 0 | 0 | 0 | 112 | L737 R738 E739 S745 P764 | L737-N741 WeakPolarHBondContact O-CB 3.25Å; L737-N741 PolarHBondContact O-N 3.16Å; L737-N741 VanDerWaalsContact O-N 3.11Å; L737-N741 PolarHBondContact O-ND2 3.35Å; R738-N741 PolarHBondContact O-N 2.82Å; E739-N741 PolarHBondContact O-N 3.3Å; N741-S745 WeakPolarHBondContact O-CB 3.13Å; N741-S745 PolarHBondContact O-N 3.48Å; N741-S745 PolarHBondContact O-OG 3.01Å; N741-P764 HydrophobicContact CB-CB 3.96Å; N741-P764 HydrophobicContact CB-CG 4.07Å |
| 742 | V | 89.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.7 | -49.2 | 175.6 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | R738 E739 V740 M744 S745 C746 P764 L765 Y768 I777 V781 | R738-V742 HydrophobicContact CG-CG2 4.36Å; R738-V742 WeakPolarHBondContact O-CB 3.46Å; R738-V742 WeakPolarHBondContact O-CG2 3.48Å; R738-V742 PolarHBondContact O-N 2.86Å; E739-V742 PolarHBondContact O-N 3.04Å; V740-V742 PolarHBondContact O-N 3.24Å; V742-M744 PolarHBondContact O-N 3.5Å; V742-S745 PolarHBondContact O-N 3.29Å; V742-C746 WeakPolarHBondContact O-CB 3.44Å; V742-C746 PolarHBondContact O-N 2.98Å; V742-C746 PolarHBondContact O-SG 3.46Å; V742-P764 HydrophobicContact CG2-CB 4.2Å; V742-P764 WeakPolarHBondContact CG2-O 3.1Å; V742-L765 HydrophobicContact CG1-CD2 4.29Å; V742-Y768 HydrophobicContact CB-CD2 4.41Å; V742-Y768 HydrophobicContact CG1-CD2 4.43Å; V742-Y768 HydrophobicContact CG1-CG 4.26Å; V742-Y768 HydrophobicContact CG2-CD2 3.77Å; V742-Y768 HydrophobicContact CG2-CG 3.86Å; V742-I777 HydrophobicContact CG1-CG2 3.71Å; V742-V781 HydrophobicContact CG1-CG2 3.65Å |
| 743 | W | 89.4 | Confident | 85.1 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 1% | 0.011 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.5 | -44 | 176.9 | -83.2 | 109.7 | 0 | 0 | 0 | 112.9 | L553 V557 C604 I605 C608 E739 V740 C746 T747 I777 L780 | L553-W743 HydrophobicContact CD1-CZ2 3.98Å; V557-W743 HydrophobicContact CG2-CH2 4.42Å; C604-W743 HydrophobicContact CB-CB 3.77Å; C604-W743 HydrophobicContact CB-CE3 4.45Å; I605-W743 HydrophobicContact CB-CH2 4.42Å; I605-W743 HydrophobicContact CB-CZ3 4.21Å; I605-W743 HydrophobicContact CD1-CZ2 4.35Å; I605-W743 HydrophobicContact CG1-CD2 3.99Å; I605-W743 HydrophobicContact CG1-CE3 3.88Å; I605-W743 HydrophobicContact CG1-CH2 3.67Å; I605-W743 HydrophobicContact CG1-CZ2 3.77Å; I605-W743 HydrophobicContact CG1-CZ3 3.72Å; C608-W743 HydrophobicContact CB-CE3 4.4Å; C608-W743 HydrophobicContact CB-CZ3 3.96Å; E739-W743 VanDerWaalsContact O-CD1 3.24Å; E739-W743 PolarHBondContact O-N 3.04Å; V740-W743 PolarHBondContact O-N 3.4Å; W743-C746 PolarHBondContact O-N 3.46Å; W743-T747 WeakPolarHBondContact O-CB 3.35Å; W743-T747 PolarHBondContact O-N 2.92Å; W743-T747 PolarHBondContact O-OG1 3.03Å; W743-I777 HydrophobicContact CZ2-CG1 4.14Å; W743-L780 HydrophobicContact CD2-CD2 4.38Å; W743-L780 HydrophobicContact CE3-CD2 3.73Å; W743-L780 HydrophobicContact CH2-CD2 3.57Å; W743-L780 HydrophobicContact CZ2-CD2 4.23Å; W743-L780 HydrophobicContact CZ3-CD2 3.29Å |
| 744 | M | 88.1 | Confident | 85.3 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.02 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.6 | -44.3 | 174.5 | -70.7 | -66.6 | -43.9 | 0 | 0 | 111.5 | L592 C604 V629 N632 V633 V740 V742 T747 C748 | L592-M744 HydrophobicContact CD1-CE 4.18Å; L592-M744 HydrophobicContact CD1-SD 3.97Å; C604-M744 PolarHBondContact SG-SD 3.33Å; V629-M744 HydrophobicContact CG1-CE 4.16Å; N632-M744 HydrophobicContact CB-CE 3.45Å; N632-M744 VanDerWaalsContact CB-CE 3.45Å; V633-M744 HydrophobicContact CG2-CB 4Å; V633-M744 HydrophobicContact CG2-CE 4.34Å; V740-M744 HydrophobicContact CG1-CG 3.93Å; V740-M744 WeakPolarHBondContact O-CB 3.28Å; V740-M744 VanDerWaalsContact O-CG 3.25Å; V740-M744 WeakPolarHBondContact O-CG 2.99Å; V740-M744 PolarHBondContact O-N 2.99Å; V742-M744 PolarHBondContact O-N 3.5Å; M744-T747 PolarHBondContact O-N 2.69Å; M744-C748 VanDerWaalsContact O-CB 3.27Å; M744-C748 WeakPolarHBondContact O-CB 3.24Å; M744-C748 PolarHBondContact O-N 3.3Å |
| 745 | S | 89.9 | Confident | 85.4 | Confident | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.1 | -42.6 | 177.9 | -64.3 | 0 | 0 | 0 | 0 | 112.3 | N741 V742 C748 I749 | N741-S745 WeakPolarHBondContact O-CB 3.13Å; N741-S745 PolarHBondContact O-N 3.48Å; N741-S745 PolarHBondContact O-OG 3.01Å; V742-S745 PolarHBondContact O-N 3.29Å; S745-C748 PolarHBondContact O-N 3.3Å; S745-I749 WeakPolarHBondContact O-CG1 3.28Å; S745-I749 PolarHBondContact O-N 3.38Å |
| 746 | C | 91 | Very high | 85.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 175.3 | -71.6 | 0 | 0 | 0 | 0 | 111 | V742 W743 C748 I749 L750 L765 L780 C784 | V742-C746 WeakPolarHBondContact O-CB 3.44Å; V742-C746 PolarHBondContact O-N 2.98Å; V742-C746 PolarHBondContact O-SG 3.46Å; W743-C746 PolarHBondContact O-N 3.46Å; C746-C748 PolarHBondContact O-N 3.47Å; C746-I749 PolarHBondContact O-N 3.06Å; C746-L750 WeakPolarHBondContact O-CB 3.47Å; C746-L750 WeakPolarHBondContact O-CG 3.24Å; C746-L750 PolarHBondContact O-N 3.31Å; C746-L765 VanDerWaalsContact SG-CD2 3.59Å; C746-L780 HydrophobicContact CB-CD1 4.48Å; C746-L780 HydrophobicContact CB-CD2 3.97Å; C746-L780 HydrophobicContact CB-CG 4.16Å; C746-C784 VanDerWaalsContact CB-SG 3.59Å |
| 747 | T | 89.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.5 | -47.5 | 176.8 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | C604 L607 C608 L611 V629 W743 M744 I749 L750 M751 | C604-T747 PolarHBondContact O-OG1 3.29Å; L607-T747 HydrophobicContact CB-CG2 3.68Å; L607-T747 HydrophobicContact CD1-CG2 3.9Å; L607-T747 HydrophobicContact CG-CG2 4.45Å; C608-T747 PolarHBondContact SG-OG1 2.86Å; L611-T747 HydrophobicContact CD1-CG2 4.4Å; V629-T747 HydrophobicContact CG1-CG2 4.35Å; W743-T747 WeakPolarHBondContact O-CB 3.35Å; W743-T747 PolarHBondContact O-N 2.92Å; W743-T747 PolarHBondContact O-OG1 3.03Å; M744-T747 PolarHBondContact O-N 2.69Å; T747-I749 PolarHBondContact O-N 3.32Å; T747-L750 PolarHBondContact O-N 2.95Å; T747-M751 HydrophobicContact CG2-CE 3.99Å; T747-M751 HydrophobicContact CG2-SD 4.38Å; T747-M751 WeakPolarHBondContact O-CB 3.4Å; T747-M751 WeakPolarHBondContact O-CG 3.48Å; T747-M751 PolarHBondContact O-N 3.5Å |
| 748 | C | 87.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.3 | -42.9 | 177.4 | 179.9 | 0 | 0 | 0 | 0 | 112.7 | V629 V633 M744 S745 C746 R752 T753 | V629-C748 HydrophobicContact CG1-CB 4.1Å; V633-C748 HydrophobicContact CG2-CB 4.13Å; M744-C748 VanDerWaalsContact O-CB 3.27Å; M744-C748 WeakPolarHBondContact O-CB 3.24Å; M744-C748 PolarHBondContact O-N 3.3Å; S745-C748 PolarHBondContact O-N 3.3Å; C746-C748 PolarHBondContact O-N 3.47Å; C748-R752 PolarHBondContact O-N 3.01Å; C748-T753 PolarHBondContact O-N 3.39Å; C748-T753 PolarHBondContact SG-O 3.41Å |
| 749 | I | 88.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.7 | -45.5 | 175.8 | -68.1 | 164.3 | 0 | 0 | 0 | 111.6 | S745 C746 T747 M751 R752 L754 V761 L765 C784 L787 L788 L791 | S745-I749 WeakPolarHBondContact O-CG1 3.28Å; S745-I749 PolarHBondContact O-N 3.38Å; C746-I749 PolarHBondContact O-N 3.06Å; T747-I749 PolarHBondContact O-N 3.32Å; I749-M751 VanDerWaalsContact C-N 3.28Å; I749-M751 PolarHBondContact O-N 2.87Å; I749-R752 WeakPolarHBondContact O-CA 3.28Å; I749-R752 PolarHBondContact O-N 3.13Å; I749-L754 HydrophobicContact CG1-CD2 4.2Å; I749-V761 HydrophobicContact CD1-CG1 3.46Å; I749-V761 VanDerWaalsContact CD1-CG1 3.46Å; I749-V761 HydrophobicContact CG1-CG1 3.58Å; I749-L765 HydrophobicContact CD1-CD1 3.43Å; I749-L765 VanDerWaalsContact CD1-CD1 3.43Å; I749-C784 HydrophobicContact CB-CB 4.48Å; I749-C784 HydrophobicContact CD1-CB 4.05Å; I749-C784 HydrophobicContact CG2-CB 4.32Å; I749-C784 WeakPolarHBondContact CG2-O 3.45Å; I749-L787 HydrophobicContact CG2-CB 4.22Å; I749-L787 HydrophobicContact CG2-CD2 4.06Å; I749-L787 HydrophobicContact CG2-CG 4.11Å; I749-L788 HydrophobicContact CD1-CB 4.09Å; I749-L788 HydrophobicContact CD1-CD2 4.07Å; I749-L788 HydrophobicContact CD1-CG 4.48Å; I749-L788 HydrophobicContact CG1-CB 4.42Å; I749-L788 HydrophobicContact CG1-CD1 4.39Å; I749-L788 HydrophobicContact CG2-CB 4.1Å; I749-L791 HydrophobicContact CG2-CD1 4.49Å |
| 750 | L | 87.2 | Confident | 85.8 | Confident | 21 Ų | 21 | 40.9 Ų | 40.9 | 11% | 0.11 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.9 | -34.4 | -179.6 | -72.2 | 171.3 | 0 | 0 | 0 | 111.7 | C608 L611 C746 T747 R752 L780 L787 | C608-L750 HydrophobicContact CB-CD1 3.95Å; L611-L750 HydrophobicContact CB-CB 3.83Å; L611-L750 HydrophobicContact CD1-CB 3.64Å; L611-L750 HydrophobicContact CG-CB 4.28Å; C746-L750 WeakPolarHBondContact O-CB 3.47Å; C746-L750 WeakPolarHBondContact O-CG 3.24Å; C746-L750 PolarHBondContact O-N 3.31Å; T747-L750 PolarHBondContact O-N 2.95Å; L750-R752 PolarHBondContact O-N 3.45Å; L750-L780 HydrophobicContact CD1-CD1 4.25Å; L750-L787 HydrophobicContact CD2-CD2 3.94Å |
| 751 | M | 84.8 | Confident | 85.8 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 3% | 0.034 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -7.7 | 171.8 | -73.7 | -172.2 | 172.4 | 0 | 0 | 113.9 | L607 L611 F617 L625 K626 V629 T747 I749 T753 | L607-M751 HydrophobicContact CD1-CE 3.95Å; L607-M751 HydrophobicContact CD2-CE 4.08Å; L607-M751 HydrophobicContact CG-CE 4.43Å; L611-M751 HydrophobicContact CD1-CB 4.42Å; L611-M751 HydrophobicContact CD1-CE 4.37Å; L611-M751 HydrophobicContact CD1-CG 3.48Å; L611-M751 VanDerWaalsContact CD1-CG 3.48Å; L611-M751 HydrophobicContact CD2-CG 4.07Å; L611-M751 HydrophobicContact CG-CG 4.41Å; F617-M751 HydrophobicContact CE1-CE 4.34Å; L625-M751 HydrophobicContact CD2-CE 4.47Å; K626-M751 HydrophobicContact CG-SD 4.4Å; V629-M751 HydrophobicContact CB-SD 4.29Å; V629-M751 HydrophobicContact CG1-SD 4.27Å; V629-M751 HydrophobicContact CG2-CE 4.16Å; V629-M751 HydrophobicContact CG2-SD 4.12Å; T747-M751 HydrophobicContact CG2-CE 3.99Å; T747-M751 HydrophobicContact CG2-SD 4.38Å; T747-M751 WeakPolarHBondContact O-CB 3.4Å; T747-M751 WeakPolarHBondContact O-CG 3.48Å; T747-M751 PolarHBondContact O-N 3.5Å; I749-M751 VanDerWaalsContact C-N 3.28Å; I749-M751 PolarHBondContact O-N 2.87Å; M751-T753 WeakPolarHBondContact CB-OG1 3.32Å; M751-T753 PolarHBondContact O-N 3.39Å |
| 752 | R | 83.4 | Confident | 85.8 | Confident | 151 Ų | 151 | 38.6 Ų | 38.6 | 57% | 0.57 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 19.8 | -175.6 | -48.7 | -176.4 | 179.6 | -179.9 | 3.3 | 114 | C748 I749 L750 L791 | C748-R752 PolarHBondContact O-N 3.01Å; I749-R752 WeakPolarHBondContact O-CA 3.28Å; I749-R752 PolarHBondContact O-N 3.13Å; L750-R752 PolarHBondContact O-N 3.45Å; R752-L791 HydrophobicContact CB-CD1 4.24Å; R752-L791 HydrophobicContact CB-CD2 4.41Å; R752-L791 HydrophobicContact CG-CD1 4.23Å; R752-L791 HydrophobicContact CG-CD2 4.32Å |
| 753 | T | 80.1 | Confident | 85.7 | Confident | 37 Ų | 37 | 43.8 Ų | 43.8 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | trans | -102.3 | 82.5 | -179 | 43.7 | 0 | 0 | 0 | 0 | 110.8 | K626 C748 M751 | K626-T753 HydrophobicContact CB-CG2 4.41Å; K626-T753 HydrophobicContact CD-CG2 4.21Å; C748-T753 PolarHBondContact O-N 3.39Å; C748-T753 PolarHBondContact SG-O 3.41Å; M751-T753 WeakPolarHBondContact CB-OG1 3.32Å; M751-T753 PolarHBondContact O-N 3.39Å | ||
| 754 | L | 82.3 | Confident | 85.6 | Confident | 32 Ų | 32 | 44.5 Ų | 44.5 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | trans | -85.8 | 136.5 | -175.3 | -64.1 | 174.6 | 0 | 0 | 0 | 112.8 | I749 L758 L788 L791 | I749-L754 HydrophobicContact CG1-CD2 4.2Å; L754-L758 HydrophobicContact CB-CD2 3.93Å; L754-L758 HydrophobicContact CD1-CD2 4.15Å; L754-L758 HydrophobicContact CD2-CD2 4.15Å; L754-L758 HydrophobicContact CG-CD2 4.31Å; L754-L788 HydrophobicContact CD1-CD1 4.02Å; L754-L788 HydrophobicContact CD2-CD1 3.62Å; L754-L791 HydrophobicContact CD1-CB 3.75Å; L754-L791 HydrophobicContact CD1-CD1 4.37Å | ||
| 755 | P | 82.9 | Confident | 85.7 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | trans | -62.3 | 160.3 | 173.3 | 25 | -33.1 | 0 | 0 | 0 | 112.2 | L630 E634 K757 V761 R795 | L630-P755 HydrophobicContact CD1-CB 3.85Å; L630-P755 HydrophobicContact CD1-CG 4.38Å; E634-P755 HydrophobicContact CG-CB 4.14Å; E634-P755 VanDerWaalsContact OE1-CB 3.22Å; E634-P755 WeakPolarHBondContact OE1-CB 3.47Å; P755-K757 VanDerWaalsContact C-N 3.32Å; P755-K757 WeakPolarHBondContact CB-O 3.37Å; P755-K757 WeakPolarHBondContact CG-O 3.48Å; P755-K757 PolarHBondContact O-N 3.48Å; P755-V761 HydrophobicContact CG-CG2 3.72Å; P755-R795 PolarHBondContact O-NH1 3.05Å; P755-R795 VanDerWaalsContact O-NH1 3.13Å; P755-R795 PolarHBondContact O-NH2 3.33Å | ||
| 756 | Q | 78.9 | Confident | 85.7 | Confident | 183 Ų | 183 | 44.2 Ų | 44.2 | 86% | 0.855 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -59.2 | -46.5 | 177.6 | -69 | -170.3 | 4.1 | 0 | 0 | 110.7 | R795 | Q756-R795 PolarHBondContact O-NH1 2.85Š|
| 757 | K | 82 | Confident | 85.4 | Confident | 169 Ų | 169 | 46.4 Ų | 46.4 | 74% | 0.735 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -96.3 | 121.8 | 170.6 | -63.4 | 178.9 | -176.7 | 172.7 | 0 | 108.2 | P755 N759 P760 | P755-K757 VanDerWaalsContact C-N 3.32Å; P755-K757 WeakPolarHBondContact CB-O 3.37Å; P755-K757 WeakPolarHBondContact CG-O 3.48Å; P755-K757 PolarHBondContact O-N 3.48Å; K757-N759 VanDerWaalsContact C-N 3.27Å; K757-N759 PolarHBondContact O-N 3.1Å; K757-P760 WeakPolarHBondContact O-CD 3.39Å |
| 758 | L | 84.5 | Confident | 85.3 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -77 | -9.7 | -179.3 | -66.3 | 173.1 | 0 | 0 | 0 | 114.5 | L754 P760 V761 V762 L788 P799 | L754-L758 HydrophobicContact CB-CD2 3.93Å; L754-L758 HydrophobicContact CD1-CD2 4.15Å; L754-L758 HydrophobicContact CD2-CD2 4.15Å; L754-L758 HydrophobicContact CG-CD2 4.31Å; L758-P760 VanDerWaalsContact C-CD 3.4Å; L758-V761 PolarHBondContact O-N 3.45Å; L758-V761 VanDerWaalsContact O-N 3.1Å; L758-V762 HydrophobicContact CB-CG2 4.15Å; L758-V762 WeakPolarHBondContact O-CG2 3.04Å; L758-V762 PolarHBondContact O-N 3.46Å; L758-L788 HydrophobicContact CD2-CD1 4.44Å; L758-P799 HydrophobicContact CD1-CB 4.16Å; L758-P799 HydrophobicContact CD1-CG 3.59Å |
| 759 | N | 85.3 | Confident | 85.3 | Confident | 117 Ų | 117 | 47.1 Ų | 47.1 | 63% | 0.626 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -58.3 | -38.4 | -175.6 | -149.1 | 16.3 | 0 | 0 | 0 | 114.4 | K757 V761 K763 | K757-N759 VanDerWaalsContact C-N 3.27Å; K757-N759 PolarHBondContact O-N 3.1Å; N759-V761 VanDerWaalsContact C-N 3.26Å; N759-V761 PolarHBondContact O-N 3.3Å; N759-K763 WeakPolarHBondContact O-CB 3.37Å; N759-K763 PolarHBondContact O-N 3.02Å |
| 760 | P | 83.9 | Confident | 85.1 | Confident | 46 Ų | 46 | 49.4 Ų | 49.4 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.1 | -28.3 | 175.1 | -22.3 | 35.6 | 0 | 0 | 0 | 114 | V633 K757 L758 P764 | V633-P760 HydrophobicContact CG1-CB 4.07Å; K757-P760 WeakPolarHBondContact O-CD 3.39Å; L758-P760 VanDerWaalsContact C-CD 3.4Å; P760-P764 WeakPolarHBondContact O-CD 3.22Å; P760-P764 WeakPolarHBondContact O-CG 3.29Å |
| 761 | V | 86.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -89.8 | -42.5 | 177.8 | 173 | 0 | 0 | 0 | 0 | 111.3 | V633 I749 P755 L758 N759 P764 L765 | V633-V761 HydrophobicContact CG1-CG2 3.66Å; I749-V761 HydrophobicContact CD1-CG1 3.46Å; I749-V761 VanDerWaalsContact CD1-CG1 3.46Å; I749-V761 HydrophobicContact CG1-CG1 3.58Å; P755-V761 HydrophobicContact CG-CG2 3.72Å; L758-V761 PolarHBondContact O-N 3.45Å; L758-V761 VanDerWaalsContact O-N 3.1Å; N759-V761 VanDerWaalsContact C-N 3.26Å; N759-V761 PolarHBondContact O-N 3.3Å; V761-P764 WeakPolarHBondContact O-CD 3.47Å; V761-L765 HydrophobicContact CG1-CD1 4.25Å; V761-L765 WeakPolarHBondContact O-CG 3.28Å |
| 762 | V | 87.3 | Confident | 84.5 | Confident | 18 Ų | 18 | 53.2 Ų | 53.2 | 11% | 0.109 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.8 | -37.5 | -175.8 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | L758 I766 L788 I803 | L758-V762 HydrophobicContact CB-CG2 4.15Å; L758-V762 WeakPolarHBondContact O-CG2 3.04Å; L758-V762 PolarHBondContact O-N 3.46Å; V762-I766 HydrophobicContact CG1-CG1 4.02Å; V762-I766 VanDerWaalsContact O-CG1 3.29Å; V762-I766 WeakPolarHBondContact O-CG1 3.21Å; V762-I766 PolarHBondContact O-N 3.2Å; V762-L788 HydrophobicContact CG2-CD2 3.91Å; V762-I803 HydrophobicContact CG1-CD1 4.29Å; V762-I803 HydrophobicContact CG1-CG1 3.99Å; V762-I803 HydrophobicContact CG2-CD1 3.98Å |
| 763 | K | 87.1 | Confident | 84.3 | Confident | 109 Ų | 109 | 49.3 Ų | 49.3 | 47% | 0.474 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.9 | -48.5 | -176.7 | -177.6 | -175.4 | 177.5 | -168.8 | 0 | 112.2 | N759 L765 I766 N767 | N759-K763 WeakPolarHBondContact O-CB 3.37Å; N759-K763 PolarHBondContact O-N 3.02Å; K763-L765 PolarHBondContact O-N 3.21Å; K763-I766 PolarHBondContact O-N 3.16Å; K763-N767 WeakPolarHBondContact O-CB 3.49Å; K763-N767 PolarHBondContact O-N 2.91Å; K763-N767 PolarHBondContact O-OD1 2.87Å |
| 764 | P | 88.1 | Confident | 84.4 | Confident | 18 Ų | 18 | 48 Ų | 48 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.7 | -47.2 | 175.4 | -27.6 | 36.5 | 0 | 0 | 0 | 113.5 | N741 V742 P760 V761 I766 N767 Y768 | N741-P764 HydrophobicContact CB-CB 3.96Å; N741-P764 HydrophobicContact CB-CG 4.07Å; V742-P764 HydrophobicContact CG2-CB 4.2Å; V742-P764 WeakPolarHBondContact CG2-O 3.1Å; P760-P764 WeakPolarHBondContact O-CD 3.22Å; P760-P764 WeakPolarHBondContact O-CG 3.29Å; V761-P764 WeakPolarHBondContact O-CD 3.47Å; P764-I766 PolarHBondContact O-N 3.3Å; P764-N767 PolarHBondContact O-N 3.15Å; P764-Y768 PolarHBondContact O-N 3.13Å |
| 765 | L | 90.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.9 | -47 | -179.9 | -62.1 | 174.5 | 0 | 0 | 0 | 111.7 | V742 C746 I749 V761 K763 Y768 V769 V781 L785 | V742-L765 HydrophobicContact CG1-CD2 4.29Å; C746-L765 VanDerWaalsContact SG-CD2 3.59Å; I749-L765 HydrophobicContact CD1-CD1 3.43Å; I749-L765 VanDerWaalsContact CD1-CD1 3.43Å; V761-L765 HydrophobicContact CG1-CD1 4.25Å; V761-L765 WeakPolarHBondContact O-CG 3.28Å; K763-L765 PolarHBondContact O-N 3.21Å; L765-Y768 PolarHBondContact O-N 3.26Å; L765-V769 WeakPolarHBondContact O-CG2 3.28Å; L765-V769 PolarHBondContact O-N 3Å; L765-V781 HydrophobicContact CB-CG1 4.21Å; L765-V781 HydrophobicContact CD2-CB 4.49Å; L765-V781 HydrophobicContact CD2-CG1 4.16Å; L765-V781 HydrophobicContact CD2-CG2 3.91Å; L765-L785 HydrophobicContact CB-CD2 4.24Å; L765-L785 HydrophobicContact CD1-CD2 3.81Å; L765-L785 HydrophobicContact CD1-CG 4.25Å |
| 766 | I | 88.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.7 | -35.8 | 179.4 | -63.4 | -67 | 0 | 0 | 0 | 111.9 | V762 K763 P764 Y768 V769 K770 I803 K806 L807 L810 | V762-I766 HydrophobicContact CG1-CG1 4.02Å; V762-I766 VanDerWaalsContact O-CG1 3.29Å; V762-I766 WeakPolarHBondContact O-CG1 3.21Å; V762-I766 PolarHBondContact O-N 3.2Å; K763-I766 PolarHBondContact O-N 3.16Å; P764-I766 PolarHBondContact O-N 3.3Å; I766-Y768 VanDerWaalsContact C-N 3.29Å; I766-Y768 PolarHBondContact O-N 3.14Å; I766-V769 PolarHBondContact O-N 3.38Å; I766-K770 PolarHBondContact O-N 3.45Å; I766-K770 VanDerWaalsContact O-N 3.08Å; I766-I803 HydrophobicContact CD1-CG2 4.46Å; I766-K806 HydrophobicContact CG1-CD 4.46Å; I766-K806 HydrophobicContact CG2-CD 3.73Å; I766-K806 VanDerWaalsContact CG2-CE 3.43Å; I766-K806 HydrophobicContact CG2-CG 4.05Å; I766-L807 HydrophobicContact CD1-CD2 3.7Å; I766-L807 HydrophobicContact CD1-CG 4.1Å; I766-L810 HydrophobicContact CG2-CD1 4.12Å |
| 767 | N | 85.7 | Confident | 84.9 | Confident | 47 Ų | 47 | 41.6 Ų | 41.6 | 25% | 0.251 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.2 | -35.3 | 175.1 | -73.9 | 0.9 | 0 | 0 | 0 | 111.4 | K763 P764 K770 E771 | K763-N767 WeakPolarHBondContact O-CB 3.49Å; K763-N767 PolarHBondContact O-N 2.91Å; K763-N767 PolarHBondContact O-OD1 2.87Å; P764-N767 PolarHBondContact O-N 3.15Å; N767-K770 WeakPolarHBondContact O-CB 3.2Å; N767-K770 PolarHBondContact O-N 3.16Å; N767-E771 PolarHBondContact O-N 2.92Å; N767-E771 VanDerWaalsContact O-N 3.15Å |
| 768 | Y | 87.8 | Confident | 85.2 | Confident | 14 Ų | 14 | 33.5 Ų | 33.5 | 6% | 0.055 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.5 | -37.5 | 172.9 | -159.6 | -90.5 | 0 | 0 | 0 | 112.7 | R738 V742 P764 L765 I766 K770 E771 G772 S774 I777 V778 V781 | R738-Y768 HydrophobicContact CG-CD2 4.07Å; V742-Y768 HydrophobicContact CB-CD2 4.41Å; V742-Y768 HydrophobicContact CG1-CD2 4.43Å; V742-Y768 HydrophobicContact CG1-CG 4.26Å; V742-Y768 HydrophobicContact CG2-CD2 3.77Å; V742-Y768 HydrophobicContact CG2-CG 3.86Å; P764-Y768 PolarHBondContact O-N 3.13Å; L765-Y768 PolarHBondContact O-N 3.26Å; I766-Y768 VanDerWaalsContact C-N 3.29Å; I766-Y768 PolarHBondContact O-N 3.14Å; Y768-K770 PolarHBondContact O-N 2.94Å; Y768-E771 PolarHBondContact O-N 3.43Å; Y768-G772 WeakPolarHBondContact O-CA 3.4Å; Y768-G772 PolarHBondContact O-N 2.82Å; Y768-S774 WeakPolarHBondContact OH-CB 3.08Å; Y768-S774 PolarHBondContact OH-N 3.39Å; Y768-I777 HydrophobicContact CD1-CB 4.36Å; Y768-I777 HydrophobicContact CD1-CG2 3.71Å; Y768-I777 HydrophobicContact CD2-CG2 4.36Å; Y768-I777 HydrophobicContact CE1-CB 3.48Å; Y768-I777 VanDerWaalsContact CE1-CB 3.48Å; Y768-I777 HydrophobicContact CE1-CG2 3.27Å; Y768-I777 HydrophobicContact CE2-CB 4.49Å; Y768-I777 HydrophobicContact CE2-CD1 4.29Å; Y768-I777 HydrophobicContact CE2-CG2 3.99Å; Y768-I777 HydrophobicContact CG-CG2 4.25Å; Y768-I777 VanDerWaalsContact CZ-CG2 3.44Å; Y768-I777 WeakPolarHBondContact OH-CB 3.4Å; Y768-I777 WeakPolarHBondContact OH-CD1 3.45Å; Y768-V778 HydrophobicContact CD1-CG2 4.37Å; Y768-V778 HydrophobicContact CE1-CG2 4.03Å; Y768-V781 HydrophobicContact CD1-CG2 4.3Å |
| 769 | V | 86.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62 | -32.5 | 172.9 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | L765 I766 V781 L807 L810 N865 A866 V869 | L765-V769 WeakPolarHBondContact O-CG2 3.28Å; L765-V769 PolarHBondContact O-N 3Å; I766-V769 PolarHBondContact O-N 3.38Å; V769-V781 HydrophobicContact CG2-CG1 3.85Å; V769-L807 HydrophobicContact CG1-CD2 4.09Å; V769-L807 HydrophobicContact CG2-CD2 4.49Å; V769-L810 HydrophobicContact CB-CD1 4.13Å; V769-L810 HydrophobicContact CG1-CD1 3.69Å; V769-N865 HydrophobicContact CG1-CB 4.13Å; V769-N865 VanDerWaalsContact O-CB 3.3Å; V769-N865 WeakPolarHBondContact O-CB 3.43Å; V769-N865 PolarHBondContact O-ND2 3.43Å; V769-A866 HydrophobicContact CG1-CB 3.86Å; V769-V869 HydrophobicContact CG2-CG2 3.96Å |
| 770 | K | 84.3 | Confident | 85.4 | Confident | 48 Ų | 48 | 30.5 Ų | 30.5 | 21% | 0.209 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.8 | -50.2 | 176.4 | -77.2 | 174.8 | 161.3 | -66 | 0 | 113.3 | I766 N767 Y768 L810 E813 S862 | I766-K770 PolarHBondContact O-N 3.45Å; I766-K770 VanDerWaalsContact O-N 3.08Å; N767-K770 WeakPolarHBondContact O-CB 3.2Å; N767-K770 PolarHBondContact O-N 3.16Å; Y768-K770 PolarHBondContact O-N 2.94Å; K770-L810 HydrophobicContact CD-CD2 4.01Å; K770-L810 VanDerWaalsContact CE-CD2 3.43Å; K770-L810 HydrophobicContact CG-CD1 3.72Å; K770-L810 HydrophobicContact CG-CD2 3.41Å; K770-L810 VanDerWaalsContact CG-CD2 3.41Å; K770-L810 HydrophobicContact CG-CG 4.21Å; K770-E813 IonicContact NZ-OE1 3.01Å; K770-E813 PolarHBondContact NZ-OE1 3.21Å; K770-E813 IonicContact NZ-OE2 2.66Å; K770-E813 PolarHBondContact NZ-OE2 3.38Å; K770-S862 WeakPolarHBondContact O-CA 3.42Å; K770-S862 VanDerWaalsContact O-CB 3.22Å; K770-S862 WeakPolarHBondContact O-CB 3.09Å |
| 771 | E | 80.4 | Confident | 85.8 | Confident | 106 Ų | 106 | 28.3 Ų | 28.3 | 50% | 0.495 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -129.3 | 8.7 | -161.9 | -66 | 173.9 | -138.3 | 0 | 0 | 113.3 | R738 N767 Y768 | R738-E771 IonicContact CZ-OE2 2.64Å; R738-E771 IonicContact NH1-OE2 3.26Å; R738-E771 PolarHBondContact NH1-OE2 3.18Å; R738-E771 IonicContact NH2-OE1 2.88Å; R738-E771 IonicContact NH2-OE2 2.82Å; R738-E771 PolarHBondContact NH2-OE2 2.95Å; N767-E771 PolarHBondContact O-N 2.92Å; N767-E771 VanDerWaalsContact O-N 3.15Å; Y768-E771 PolarHBondContact O-N 3.43Å |
| 772 | G | 78.9 | Confident | 85.9 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | trans | -81.8 | 141.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y768 N865 | Y768-G772 WeakPolarHBondContact O-CA 3.4Å; Y768-G772 PolarHBondContact O-N 2.82Å; G772-N865 PolarHBondContact O-ND2 3.48Å | ||
| 773 | D | 79 | Confident | 86 | Confident | 68 Ų | 68 | 30.7 Ų | 30.7 | 36% | 0.364 | 15% | 0.152 | S | C | . | . | trans | -105.2 | -23.2 | -177.7 | -62.3 | -45.9 | 0 | 0 | 0 | 113.9 | L546 N861 | L546-D773 HydrophobicContact CD1-CB 3.79Å; L546-D773 HydrophobicContact CG-CB 4.4Å; D773-N861 PolarHBondContact OD1-ND2 2.96Å | ||
| 774 | S | 82.1 | Confident | 86.1 | Confident | 10 Ų | 10 | 25.5 Ų | 25.5 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | trans | -82.6 | 122.5 | -176.7 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | Y768 I776 I777 V778 | Y768-S774 WeakPolarHBondContact OH-CB 3.08Å; Y768-S774 PolarHBondContact OH-N 3.39Å; S774-I776 VanDerWaalsContact C-N 3.31Å; S774-I776 PolarHBondContact O-N 3.46Å; S774-I777 PolarHBondContact O-N 3.15Å; S774-V778 WeakPolarHBondContact O-CG2 3.34Å; S774-V778 PolarHBondContact O-N 2.94Å; S774-V778 VanDerWaalsContact O-N 3.1Å | ||
| 775 | D | 83.9 | Confident | 86.2 | Confident | 36 Ų | 36 | 24.7 Ų | 24.7 | 19% | 0.193 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63 | -36.9 | 177 | -81.3 | 4.5 | 0 | 0 | 0 | 112.1 | I777 V778 D779 R864 R868 | D775-I777 PolarHBondContact O-N 2.76Å; D775-V778 PolarHBondContact O-N 2.9Å; D775-D779 PolarHBondContact O-N 2.7Å; D775-R864 IonicContact OD1-CZ 3.78Å; D775-R864 IonicContact OD1-NH1 3.17Å; D775-R864 PolarHBondContact OD1-NH1 2.98Å; D775-R864 IonicContact OD1-NH2 2.84Å; D775-R864 PolarHBondContact OD1-NH2 3.24Å; D775-R864 IonicContact OD2-NH1 3.07Å; D775-R864 PolarHBondContact OD2-NH1 3.29Å; D775-R868 VanDerWaalsContact CB-NH1 3.3Å; D775-R868 IonicContact OD1-CZ 3.08Å; D775-R868 IonicContact OD1-NH1 2.9Å; D775-R868 IonicContact OD2-CZ 2.89Å; D775-R868 IonicContact OD2-NH1 2.77Å; D775-R868 PolarHBondContact OD2-NH1 2.99Å; D775-R868 IonicContact OD2-NH2 3.89Å; D775-R868 PolarHBondContact OD2-NH2 3.39Å |
| 776 | I | 84.3 | Confident | 86.1 | Confident | 44 Ų | 44 | 25 Ų | 25 | 23% | 0.226 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 179.2 | -58.4 | 173.2 | 0 | 0 | 0 | 111.1 | E550 L553 Q554 V557 S774 D779 L780 | E550-I776 HydrophobicContact CG-CD1 4.18Å; L553-I776 HydrophobicContact CD2-CB 4.29Å; L553-I776 HydrophobicContact CD2-CG2 4.4Å; Q554-I776 HydrophobicContact CB-CD1 3.71Å; Q554-I776 HydrophobicContact CG-CD1 3.99Å; V557-I776 HydrophobicContact CG2-CG2 4.47Å; S774-I776 VanDerWaalsContact C-N 3.31Å; S774-I776 PolarHBondContact O-N 3.46Å; I776-D779 PolarHBondContact O-N 2.72Å; I776-L780 PolarHBondContact O-N 3.27Å; I776-L780 VanDerWaalsContact O-N 3.1Å |
| 777 | I | 86.9 | Confident | 86.1 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.9 | -37.8 | 179.7 | -58.2 | 177.6 | 0 | 0 | 0 | 109.7 | L553 E739 V742 W743 Y768 S774 D775 D779 L780 V781 | L553-I777 HydrophobicContact CD2-CD1 3.69Å; L553-I777 HydrophobicContact CD2-CG1 3.61Å; E739-I777 HydrophobicContact CG-CD1 4.3Å; V742-I777 HydrophobicContact CG1-CG2 3.71Å; W743-I777 HydrophobicContact CZ2-CG1 4.14Å; Y768-I777 HydrophobicContact CD1-CB 4.36Å; Y768-I777 HydrophobicContact CD1-CG2 3.71Å; Y768-I777 HydrophobicContact CD2-CG2 4.36Å; Y768-I777 HydrophobicContact CE1-CB 3.48Å; Y768-I777 VanDerWaalsContact CE1-CB 3.48Å; Y768-I777 HydrophobicContact CE1-CG2 3.27Å; Y768-I777 HydrophobicContact CE2-CB 4.49Å; Y768-I777 HydrophobicContact CE2-CD1 4.29Å; Y768-I777 HydrophobicContact CE2-CG2 3.99Å; Y768-I777 HydrophobicContact CG-CG2 4.25Å; Y768-I777 VanDerWaalsContact CZ-CG2 3.44Å; Y768-I777 WeakPolarHBondContact OH-CB 3.4Å; Y768-I777 WeakPolarHBondContact OH-CD1 3.45Å; S774-I777 PolarHBondContact O-N 3.15Å; D775-I777 PolarHBondContact O-N 2.76Å; I777-D779 VanDerWaalsContact C-N 3.29Å; I777-D779 PolarHBondContact O-N 3.04Å; I777-L780 PolarHBondContact O-N 3.48Å; I777-V781 HydrophobicContact CG2-CG2 4.07Å; I777-V781 WeakPolarHBondContact O-CB 3.36Å; I777-V781 WeakPolarHBondContact O-CG2 3.36Å; I777-V781 PolarHBondContact O-N 3.45Å |
| 778 | V | 87.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.5 | -40.7 | 174.6 | 173 | 0 | 0 | 0 | 0 | 111.3 | Y768 S774 D775 V781 A782 N865 R868 V869 | Y768-V778 HydrophobicContact CD1-CG2 4.37Å; Y768-V778 HydrophobicContact CE1-CG2 4.03Å; S774-V778 WeakPolarHBondContact O-CG2 3.34Å; S774-V778 PolarHBondContact O-N 2.94Å; S774-V778 VanDerWaalsContact O-N 3.1Å; D775-V778 PolarHBondContact O-N 2.9Å; V778-V781 PolarHBondContact O-N 2.79Å; V778-A782 WeakPolarHBondContact O-CB 3.46Å; V778-A782 PolarHBondContact O-N 3.06Å; V778-N865 HydrophobicContact CG1-CB 4.25Å; V778-N865 HydrophobicContact CG2-CB 4.2Å; V778-R868 HydrophobicContact CG1-CB 4.14Å; V778-V869 HydrophobicContact CG1-CG2 4.33Å |
| 779 | D | 86.7 | Confident | 86.2 | Confident | 70 Ų | 70 | 24.1 Ų | 24.1 | 37% | 0.374 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -68 | -41.2 | 177.4 | -71.4 | -15.9 | 0 | 0 | 0 | 111.9 | D775 I776 I777 A782 E783 R868 | D775-D779 PolarHBondContact O-N 2.7Å; I776-D779 PolarHBondContact O-N 2.72Å; I777-D779 VanDerWaalsContact C-N 3.29Å; I777-D779 PolarHBondContact O-N 3.04Å; D779-A782 WeakPolarHBondContact O-CB 3.48Å; D779-A782 PolarHBondContact O-N 3.06Å; D779-E783 WeakPolarHBondContact O-CG 3.33Å; D779-E783 PolarHBondContact O-N 3.38Å; D779-R868 IonicContact OD1-NH1 3.91Å |
| 780 | L | 89.2 | Confident | 86.2 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 171.8 | 173.5 | 67.4 | 0 | 0 | 0 | 111.6 | W743 C746 L750 I776 I777 A782 E783 C784 | W743-L780 HydrophobicContact CD2-CD2 4.38Å; W743-L780 HydrophobicContact CE3-CD2 3.73Å; W743-L780 HydrophobicContact CH2-CD2 3.57Å; W743-L780 HydrophobicContact CZ2-CD2 4.23Å; W743-L780 HydrophobicContact CZ3-CD2 3.29Å; C746-L780 HydrophobicContact CB-CD1 4.48Å; C746-L780 HydrophobicContact CB-CD2 3.97Å; C746-L780 HydrophobicContact CB-CG 4.16Å; L750-L780 HydrophobicContact CD1-CD1 4.25Å; I776-L780 PolarHBondContact O-N 3.27Å; I776-L780 VanDerWaalsContact O-N 3.1Å; I777-L780 PolarHBondContact O-N 3.48Å; L780-A782 VanDerWaalsContact C-N 3.3Å; L780-A782 PolarHBondContact O-N 3.47Å; L780-E783 PolarHBondContact O-N 3.33Å; L780-C784 WeakPolarHBondContact O-CB 3.5Å; L780-C784 PolarHBondContact O-N 3.33Å; L780-C784 PolarHBondContact O-SG 2.8Å |
| 781 | V | 90.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.5 | -38.7 | 177 | 168.7 | 0 | 0 | 0 | 0 | 110.2 | V742 L765 Y768 V769 I777 V778 C784 L785 | V742-V781 HydrophobicContact CG1-CG2 3.65Å; L765-V781 HydrophobicContact CB-CG1 4.21Å; L765-V781 HydrophobicContact CD2-CB 4.49Å; L765-V781 HydrophobicContact CD2-CG1 4.16Å; L765-V781 HydrophobicContact CD2-CG2 3.91Å; Y768-V781 HydrophobicContact CD1-CG2 4.3Å; V769-V781 HydrophobicContact CG2-CG1 3.85Å; I777-V781 HydrophobicContact CG2-CG2 4.07Å; I777-V781 WeakPolarHBondContact O-CB 3.36Å; I777-V781 WeakPolarHBondContact O-CG2 3.36Å; I777-V781 PolarHBondContact O-N 3.45Å; V778-V781 PolarHBondContact O-N 2.79Å; V781-C784 PolarHBondContact O-N 3.09Å; V781-L785 HydrophobicContact CG1-CD1 3.75Å; V781-L785 HydrophobicContact CG1-CG 4.18Å; V781-L785 VanDerWaalsContact O-CB 3.27Å; V781-L785 WeakPolarHBondContact O-CB 3.33Å; V781-L785 VanDerWaalsContact O-CG 3.28Å; V781-L785 WeakPolarHBondContact O-CG 3.35Å; V781-L785 PolarHBondContact O-N 3.41Å |
| 782 | A | 89.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V778 D779 L780 T786 V869 K872 | V778-A782 WeakPolarHBondContact O-CB 3.46Å; V778-A782 PolarHBondContact O-N 3.06Å; D779-A782 WeakPolarHBondContact O-CB 3.48Å; D779-A782 PolarHBondContact O-N 3.06Å; L780-A782 VanDerWaalsContact C-N 3.3Å; L780-A782 PolarHBondContact O-N 3.47Å; A782-T786 WeakPolarHBondContact O-CB 3.14Å; A782-T786 PolarHBondContact O-N 3.3Å; A782-T786 PolarHBondContact O-OG1 2.96Å; A782-V869 HydrophobicContact CB-CB 4.33Å; A782-V869 HydrophobicContact CB-CG2 3.97Å; A782-K872 HydrophobicContact CB-CB 3.9Å; A782-K872 HydrophobicContact CB-CG 4.05Å |
| 783 | E | 89.3 | Confident | 86.4 | Confident | 67 Ų | 67 | 27 Ų | 27 | 31% | 0.313 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.6 | -47.3 | 174.4 | -73.2 | 176.6 | 179 | 0 | 0 | 112 | K612 D779 L780 T786 L787 K872 | K612-E783 WeakPolarHBondContact CE-OE2 3.45Å; K612-E783 IonicContact NZ-OE2 2.79Å; D779-E783 WeakPolarHBondContact O-CG 3.33Å; D779-E783 PolarHBondContact O-N 3.38Å; L780-E783 PolarHBondContact O-N 3.33Å; E783-T786 WeakPolarHBondContact O-CB 3.45Å; E783-T786 PolarHBondContact O-N 3.22Å; E783-L787 PolarHBondContact O-N 3.49Å; E783-K872 IonicContact OE1-NZ 3.71Å; E783-K872 PolarHBondContact OE1-NZ 3.38Å |
| 784 | C | 90.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.6 | -40.8 | 179.9 | -66.7 | 0 | 0 | 0 | 0 | 111.8 | C746 I749 L780 V781 T786 L787 L788 | C746-C784 VanDerWaalsContact CB-SG 3.59Å; I749-C784 HydrophobicContact CB-CB 4.48Å; I749-C784 HydrophobicContact CD1-CB 4.05Å; I749-C784 HydrophobicContact CG2-CB 4.32Å; I749-C784 WeakPolarHBondContact CG2-O 3.45Å; L780-C784 WeakPolarHBondContact O-CB 3.5Å; L780-C784 PolarHBondContact O-N 3.33Å; L780-C784 PolarHBondContact O-SG 2.8Å; V781-C784 PolarHBondContact O-N 3.09Å; C784-T786 VanDerWaalsContact C-N 3.34Å; C784-L787 PolarHBondContact O-N 3.34Å; C784-L788 WeakPolarHBondContact O-CB 3.19Å; C784-L788 PolarHBondContact O-N 2.81Å |
| 785 | L | 89.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64 | -41.3 | 173.9 | -75.7 | 173 | 0 | 0 | 0 | 111 | L765 V781 L787 L788 L789 I803 V869 | L765-L785 HydrophobicContact CB-CD2 4.24Å; L765-L785 HydrophobicContact CD1-CD2 3.81Å; L765-L785 HydrophobicContact CD1-CG 4.25Å; V781-L785 HydrophobicContact CG1-CD1 3.75Å; V781-L785 HydrophobicContact CG1-CG 4.18Å; V781-L785 VanDerWaalsContact O-CB 3.27Å; V781-L785 WeakPolarHBondContact O-CB 3.33Å; V781-L785 VanDerWaalsContact O-CG 3.28Å; V781-L785 WeakPolarHBondContact O-CG 3.35Å; V781-L785 PolarHBondContact O-N 3.41Å; L785-L787 VanDerWaalsContact C-N 3.34Å; L785-L787 PolarHBondContact O-N 2.94Å; L785-L788 HydrophobicContact CD2-CD2 4.31Å; L785-L788 PolarHBondContact O-N 3.25Å; L785-L789 VanDerWaalsContact O-CG 3.22Å; L785-L789 WeakPolarHBondContact O-CG 3.09Å; L785-L789 PolarHBondContact O-N 2.97Å; L785-I803 HydrophobicContact CD2-CG2 4.4Å; L785-V869 HydrophobicContact CD1-CG1 3.66Å |
| 786 | T | 88.4 | Confident | 85.9 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 174.9 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | A782 E783 C784 K790 I873 Y876 Y877 | A782-T786 WeakPolarHBondContact O-CB 3.14Å; A782-T786 PolarHBondContact O-N 3.3Å; A782-T786 PolarHBondContact O-OG1 2.96Å; E783-T786 WeakPolarHBondContact O-CB 3.45Å; E783-T786 PolarHBondContact O-N 3.22Å; C784-T786 VanDerWaalsContact C-N 3.34Å; T786-K790 PolarHBondContact O-N 3.47Å; T786-I873 WeakPolarHBondContact OG1-CG1 3.27Å; T786-Y876 HydrophobicContact CG2-CD1 3.41Å; T786-Y876 VanDerWaalsContact CG2-CD1 3.41Å; T786-Y876 HydrophobicContact CG2-CD2 4.41Å; T786-Y876 HydrophobicContact CG2-CE1 4.07Å; T786-Y876 HydrophobicContact CG2-CG 3.61Å; T786-Y877 HydrophobicContact CG2-CD2 4.29Å; T786-Y877 HydrophobicContact CG2-CE2 3.65Å; T786-Y877 PolarHBondContact O-OH 3.01Å |
| 787 | L | 88.5 | Confident | 85.5 | Confident | 39 Ų | 39 | 44.1 Ų | 44.1 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.6 | -42.1 | 176.3 | 179.8 | 59.3 | 0 | 0 | 0 | 112.5 | I749 L750 E783 C784 L785 L789 K790 L791 | I749-L787 HydrophobicContact CG2-CB 4.22Å; I749-L787 HydrophobicContact CG2-CD2 4.06Å; I749-L787 HydrophobicContact CG2-CG 4.11Å; L750-L787 HydrophobicContact CD2-CD2 3.94Å; E783-L787 PolarHBondContact O-N 3.49Å; C784-L787 PolarHBondContact O-N 3.34Å; L785-L787 VanDerWaalsContact C-N 3.34Å; L785-L787 PolarHBondContact O-N 2.94Å; L787-L789 VanDerWaalsContact C-N 3.3Å; L787-L789 PolarHBondContact O-N 3.21Å; L787-K790 WeakPolarHBondContact O-CA 3.45Å; L787-K790 VanDerWaalsContact O-CB 3.25Å; L787-K790 WeakPolarHBondContact O-CB 3.42Å; L787-K790 PolarHBondContact O-N 3.01Å; L787-L791 HydrophobicContact CD1-CD1 4.38Å; L787-L791 HydrophobicContact CD1-CG 4.26Å; L787-L791 HydrophobicContact CG-CD1 4.06Å; L787-L791 HydrophobicContact CG-CG 4.37Å; L787-L791 WeakPolarHBondContact O-CG 3.41Å; L787-L791 PolarHBondContact O-N 3.43Å |
| 788 | L | 88.8 | Confident | 85.1 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.6 | -40.6 | 178.7 | 174.7 | 62.8 | 0 | 0 | 0 | 111.4 | I749 L754 L758 V762 C784 L785 K790 L791 S792 I803 | I749-L788 HydrophobicContact CD1-CB 4.09Å; I749-L788 HydrophobicContact CD1-CD2 4.07Å; I749-L788 HydrophobicContact CD1-CG 4.48Å; I749-L788 HydrophobicContact CG1-CB 4.42Å; I749-L788 HydrophobicContact CG1-CD1 4.39Å; I749-L788 HydrophobicContact CG2-CB 4.1Å; L754-L788 HydrophobicContact CD1-CD1 4.02Å; L754-L788 HydrophobicContact CD2-CD1 3.62Å; L758-L788 HydrophobicContact CD2-CD1 4.44Å; V762-L788 HydrophobicContact CG2-CD2 3.91Å; C784-L788 WeakPolarHBondContact O-CB 3.19Å; C784-L788 PolarHBondContact O-N 2.81Å; L785-L788 HydrophobicContact CD2-CD2 4.31Å; L785-L788 PolarHBondContact O-N 3.25Å; L788-K790 PolarHBondContact O-N 3.11Å; L788-L791 PolarHBondContact O-N 2.95Å; L788-S792 WeakPolarHBondContact O-CB 3.35Å; L788-S792 PolarHBondContact O-N 2.87Å; L788-S792 PolarHBondContact O-OG 3.23Å; L788-I803 HydrophobicContact CD2-CD1 4.33Å |
| 789 | L | 86.5 | Confident | 84.8 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.8 | -35.4 | 175.4 | -69.8 | 172.3 | 0 | 0 | 0 | 111.9 | L785 L787 A793 N800 I873 Y877 V884 M885 | L785-L789 VanDerWaalsContact O-CG 3.22Å; L785-L789 WeakPolarHBondContact O-CG 3.09Å; L785-L789 PolarHBondContact O-N 2.97Å; L787-L789 VanDerWaalsContact C-N 3.3Å; L787-L789 PolarHBondContact O-N 3.21Å; L789-A793 PolarHBondContact O-N 2.84Å; L789-N800 HydrophobicContact CD2-CB 3.64Å; L789-N800 VanDerWaalsContact CD2-CG 3.43Å; L789-N800 VanDerWaalsContact CD2-OD1 3.32Å; L789-N800 WeakPolarHBondContact CD2-OD1 3.47Å; L789-N800 PolarHBondContact O-ND2 3.01Å; L789-I873 HydrophobicContact CD1-CD1 3.94Å; L789-I873 HydrophobicContact CD1-CG1 4.26Å; L789-I873 HydrophobicContact CD1-CG2 4.03Å; L789-Y877 HydrophobicContact CB-CE2 4.44Å; L789-Y877 HydrophobicContact CD1-CE2 4.48Å; L789-V884 HydrophobicContact CB-CG1 3.64Å; L789-V884 HydrophobicContact CD1-CG1 4.39Å; L789-V884 HydrophobicContact CG-CG1 4.45Å; L789-M885 HydrophobicContact CD1-CG 4.29Å; L789-M885 HydrophobicContact CD1-SD 3.56Å; L789-M885 VanDerWaalsContact CD1-SD 3.56Å; L789-M885 HydrophobicContact CD2-CG 4.35Å; L789-M885 HydrophobicContact CD2-SD 4.25Å |
| 790 | K | 84.9 | Confident | 84.7 | Confident | 119 Ų | 119 | 44.5 Ų | 44.5 | 52% | 0.517 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.9 | -48.8 | 173.8 | -166.9 | 176.8 | 178.1 | 176.3 | 0 | 111.2 | T786 L787 L788 S792 A793 Y877 | T786-K790 PolarHBondContact O-N 3.47Å; L787-K790 WeakPolarHBondContact O-CA 3.45Å; L787-K790 VanDerWaalsContact O-CB 3.25Å; L787-K790 WeakPolarHBondContact O-CB 3.42Å; L787-K790 PolarHBondContact O-N 3.01Å; L788-K790 PolarHBondContact O-N 3.11Å; K790-S792 VanDerWaalsContact C-N 3.29Å; K790-S792 PolarHBondContact O-N 3.35Å; K790-A793 WeakPolarHBondContact O-CB 3.34Å; K790-A793 PolarHBondContact O-N 3.5Å; K790-Y877 WeakPolarHBondContact CB-OH 3.47Å; K790-Y877 PolarHBondContact N-OH 3.33Å; K790-Y877 VanDerWaalsContact N-OH 3.16Å |
| 791 | L | 84.4 | Confident | 84.4 | Confident | 52 Ų | 52 | 46.6 Ų | 46.6 | 27% | 0.272 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.5 | -22.7 | -176.1 | -65.6 | 175.8 | 0 | 0 | 0 | 113.6 | I749 R752 L754 L787 L788 | I749-L791 HydrophobicContact CG2-CD1 4.49Å; R752-L791 HydrophobicContact CB-CD1 4.24Å; R752-L791 HydrophobicContact CB-CD2 4.41Å; R752-L791 HydrophobicContact CG-CD1 4.23Å; R752-L791 HydrophobicContact CG-CD2 4.32Å; L754-L791 HydrophobicContact CD1-CB 3.75Å; L754-L791 HydrophobicContact CD1-CD1 4.37Å; L787-L791 HydrophobicContact CD1-CD1 4.38Å; L787-L791 HydrophobicContact CD1-CG 4.26Å; L787-L791 HydrophobicContact CG-CD1 4.06Å; L787-L791 HydrophobicContact CG-CG 4.37Å; L787-L791 WeakPolarHBondContact O-CG 3.41Å; L787-L791 PolarHBondContact O-N 3.43Å; L788-L791 PolarHBondContact O-N 2.95Å |
| 792 | S | 84.2 | Confident | 84 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 7.2 | -178.8 | 59.4 | 0 | 0 | 0 | 0 | 114.3 | L788 K790 D794 R795 N800 | L788-S792 WeakPolarHBondContact O-CB 3.35Å; L788-S792 PolarHBondContact O-N 2.87Å; L788-S792 PolarHBondContact O-OG 3.23Å; K790-S792 VanDerWaalsContact C-N 3.29Å; K790-S792 PolarHBondContact O-N 3.35Å; S792-D794 VanDerWaalsContact C-N 3.29Å; S792-D794 PolarHBondContact O-N 2.86Å; S792-R795 PolarHBondContact O-N 3.42Å; S792-N800 PolarHBondContact OG-OD1 3.42Å |
| 793 | A | 80.5 | Confident | 83.8 | Confident | 47 Ų | 47 | 55 Ų | 55 | 39% | 0.388 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -37 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L789 K790 | L789-A793 PolarHBondContact O-N 2.84Å; K790-A793 WeakPolarHBondContact O-CB 3.34Å; K790-A793 PolarHBondContact O-N 3.5Å |
| 794 | D | 78.9 | Confident | 83.5 | Confident | 151 Ų | 151 | 51.9 Ų | 51.9 | 81% | 0.807 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -4.7 | -176.1 | -59.3 | -36.6 | 0 | 0 | 0 | 114.2 | S792 | S792-D794 VanDerWaalsContact C-N 3.29Å; S792-D794 PolarHBondContact O-N 2.86Å |
| 795 | R | 80.6 | Confident | 83.2 | Confident | 77 Ų | 77 | 57.5 Ų | 57.5 | 29% | 0.291 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -77.4 | 140.1 | -179.6 | -68.5 | -165.2 | 179.1 | -156.2 | 4.3 | 111 | P755 Q756 S792 P797 S798 | P755-R795 PolarHBondContact O-NH1 3.05Å; P755-R795 VanDerWaalsContact O-NH1 3.13Å; P755-R795 PolarHBondContact O-NH2 3.33Å; Q756-R795 PolarHBondContact O-NH1 2.85Å; S792-R795 PolarHBondContact O-N 3.42Å; R795-P797 CarbonylContact O-C 3.58Å; R795-S798 WeakPolarHBondContact O-CA 3.2Å; R795-S798 PolarHBondContact O-N 2.92Å |
| 796 | I | 74.3 | Confident | 83 | Confident | 170 Ų | 170 | 61.2 Ų | 61.2 | 87% | 0.872 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -117.3 | 115.6 | 179.6 | -54.1 | 172.4 | 0 | 0 | 0 | 109.8 | ||
| 797 | P | 76.7 | Confident | 82.8 | Confident | 120 Ų | 120 | 60.9 Ų | 60.9 | 78% | 0.779 | 31% | 0.31 | S | S | * | . | S | Bend | cis | -74 | 148.3 | -8.1 | 31.2 | -34.2 | 0 | 0 | 0 | 112.6 | R795 | R795-P797 CarbonylContact O-C 3.58Š|
| 798 | S | 78.9 | Confident | 82.4 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 34% | 0.343 | 30% | 0.3 | S | S | . | . | trans | -68.9 | 131.5 | 180 | 174 | 0 | 0 | 0 | 0 | 110.9 | R795 N800 | R795-S798 WeakPolarHBondContact O-CA 3.2Å; R795-S798 PolarHBondContact O-N 2.92Å; S798-N800 VanDerWaalsContact C-N 3.25Å; S798-N800 PolarHBondContact O-N 3.39Å; S798-N800 WeakPolarHBondContact OG-CB 3.25Å; S798-N800 PolarHBondContact OG-N 3.41Å | ||
| 799 | P | 81 | Confident | 82.1 | Confident | 28 Ų | 28 | 63.6 Ų | 63.6 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -74.9 | -15 | 177.5 | 35.3 | -40.2 | 0 | 0 | 0 | 113 | L758 D801 K802 I803 | L758-P799 HydrophobicContact CD1-CB 4.16Å; L758-P799 HydrophobicContact CD1-CG 3.59Å; P799-D801 VanDerWaalsContact C-N 3.28Å; P799-D801 PolarHBondContact O-N 3.48Å; P799-K802 WeakPolarHBondContact O-CB 3.25Å; P799-K802 PolarHBondContact O-N 3.35Å; P799-I803 HydrophobicContact CB-CD1 4.3Å; P799-I803 WeakPolarHBondContact O-CG1 3.1Å; P799-I803 PolarHBondContact O-N 2.78Å |
| 800 | N | 84.9 | Confident | 81.9 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.011 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.3 | -42.6 | -169.2 | -69.7 | -0.5 | 0 | 0 | 0 | 112.3 | L789 S792 S798 K802 I803 G804 V884 | L789-N800 HydrophobicContact CD2-CB 3.64Å; L789-N800 VanDerWaalsContact CD2-CG 3.43Å; L789-N800 VanDerWaalsContact CD2-OD1 3.32Å; L789-N800 WeakPolarHBondContact CD2-OD1 3.47Å; L789-N800 PolarHBondContact O-ND2 3.01Å; S792-N800 PolarHBondContact OG-OD1 3.42Å; S798-N800 VanDerWaalsContact C-N 3.25Å; S798-N800 PolarHBondContact O-N 3.39Å; S798-N800 WeakPolarHBondContact OG-CB 3.25Å; S798-N800 PolarHBondContact OG-N 3.41Å; N800-K802 VanDerWaalsContact C-N 3.34Å; N800-K802 PolarHBondContact O-N 3.42Å; N800-I803 PolarHBondContact O-N 3.27Å; N800-G804 PolarHBondContact O-N 3.31Å; N800-V884 WeakPolarHBondContact CB-O 3.23Å; N800-V884 PolarHBondContact ND2-O 2.95Å |
| 801 | D | 81.2 | Confident | 81.4 | Confident | 47 Ų | 47 | 58 Ų | 58 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.5 | -36 | -179.4 | -168.5 | 44.7 | 0 | 0 | 0 | 112 | P799 R805 F887 | P799-D801 VanDerWaalsContact C-N 3.28Å; P799-D801 PolarHBondContact O-N 3.48Å; D801-R805 WeakPolarHBondContact O-CB 3.37Å; D801-R805 VanDerWaalsContact O-CG 3.25Å; D801-R805 WeakPolarHBondContact O-CG 3.22Å; D801-R805 PolarHBondContact O-N 2.89Å; D801-R805 IonicContact OD1-NE 3.99Å; D801-R805 IonicContact OD1-NH2 3.15Å; D801-R805 IonicContact OD2-CZ 3.18Å; D801-R805 VanDerWaalsContact OD2-CZ 3.23Å; D801-R805 IonicContact OD2-NE 3.99Å; D801-R805 PolarHBondContact OD2-NE 3.29Å; D801-R805 IonicContact OD2-NH2 3.73Å; D801-R805 PolarHBondContact OD2-NH2 2.84Å; D801-F887 VanDerWaalsContact OD1-CB 3.29Å; D801-F887 WeakPolarHBondContact OD1-CB 3.43Å |
| 802 | K | 83.4 | Confident | 80.6 | Confident | 171 Ų | 171 | 58 Ų | 58 | 74% | 0.743 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -69.5 | -39 | 175.8 | -169.1 | 176.1 | -177.1 | 177.6 | 0 | 111.7 | P799 N800 K806 | P799-K802 WeakPolarHBondContact O-CB 3.25Å; P799-K802 PolarHBondContact O-N 3.35Å; N800-K802 VanDerWaalsContact C-N 3.34Å; N800-K802 PolarHBondContact O-N 3.42Å; K802-K806 WeakPolarHBondContact O-CB 3.47Å; K802-K806 PolarHBondContact O-N 3.46Å; K802-K806 VanDerWaalsContact O-N 3.11Å |
| 803 | I | 85.7 | Confident | 79.5 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.5 | -49.1 | 175.5 | -65.1 | 169.8 | 0 | 0 | 0 | 109.6 | V762 I766 L785 L788 P799 N800 R805 K806 L807 | V762-I803 HydrophobicContact CG1-CD1 4.29Å; V762-I803 HydrophobicContact CG1-CG1 3.99Å; V762-I803 HydrophobicContact CG2-CD1 3.98Å; I766-I803 HydrophobicContact CD1-CG2 4.46Å; L785-I803 HydrophobicContact CD2-CG2 4.4Å; L788-I803 HydrophobicContact CD2-CD1 4.33Å; P799-I803 HydrophobicContact CB-CD1 4.3Å; P799-I803 WeakPolarHBondContact O-CG1 3.1Å; P799-I803 PolarHBondContact O-N 2.78Å; N800-I803 PolarHBondContact O-N 3.27Å; I803-R805 PolarHBondContact O-N 3.37Å; I803-K806 PolarHBondContact O-N 3.3Å; I803-K806 VanDerWaalsContact O-N 3.1Å; I803-L807 HydrophobicContact CG2-CD1 4.19Å; I803-L807 PolarHBondContact O-N 3.22Å |
| 804 | G | 82.3 | Confident | 78.2 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.3 | -49.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N800 K806 L807 L808 | N800-G804 PolarHBondContact O-N 3.31Å; G804-K806 VanDerWaalsContact C-N 3.29Å; G804-K806 PolarHBondContact O-N 3.2Å; G804-L807 PolarHBondContact O-N 3.04Å; G804-L808 WeakPolarHBondContact O-CG 3.41Å; G804-L808 PolarHBondContact O-N 3.21Å |
| 805 | R | 83.5 | Confident | 76.7 | Confident | 117 Ų | 117 | 66.4 Ų | 66.4 | 44% | 0.442 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.3 | -38.9 | 175.3 | -71 | 173.4 | -157.8 | -113.4 | 9 | 112.1 | D801 I803 L808 N809 F887 | D801-R805 WeakPolarHBondContact O-CB 3.37Å; D801-R805 VanDerWaalsContact O-CG 3.25Å; D801-R805 WeakPolarHBondContact O-CG 3.22Å; D801-R805 PolarHBondContact O-N 2.89Å; D801-R805 IonicContact OD1-NE 3.99Å; D801-R805 IonicContact OD1-NH2 3.15Å; D801-R805 IonicContact OD2-CZ 3.18Å; D801-R805 VanDerWaalsContact OD2-CZ 3.23Å; D801-R805 IonicContact OD2-NE 3.99Å; D801-R805 PolarHBondContact OD2-NE 3.29Å; D801-R805 IonicContact OD2-NH2 3.73Å; D801-R805 PolarHBondContact OD2-NH2 2.84Å; I803-R805 PolarHBondContact O-N 3.37Å; R805-L808 PolarHBondContact O-N 2.8Å; R805-N809 PolarHBondContact O-N 3.35Å; R805-N809 PolarHBondContact O-OD1 2.98Å; R805-F887 HydrophobicContact CG-CD1 4.02Å; R805-F887 HydrophobicContact CG-CE1 4.25Å; R805-F887 HydrophobicContact CG-CG 4.47Å |
| 806 | K | 84.6 | Confident | 75.2 | Confident | 80 Ų | 80 | 65.6 Ų | 65.6 | 35% | 0.348 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 178.9 | -162.8 | 167.8 | -179.8 | -161.8 | 0 | 111.2 | I766 K802 I803 G804 L808 N809 L810 | I766-K806 HydrophobicContact CG1-CD 4.46Å; I766-K806 HydrophobicContact CG2-CD 3.73Å; I766-K806 VanDerWaalsContact CG2-CE 3.43Å; I766-K806 HydrophobicContact CG2-CG 4.05Å; K802-K806 WeakPolarHBondContact O-CB 3.47Å; K802-K806 PolarHBondContact O-N 3.46Å; K802-K806 VanDerWaalsContact O-N 3.11Å; I803-K806 PolarHBondContact O-N 3.3Å; I803-K806 VanDerWaalsContact O-N 3.1Å; G804-K806 VanDerWaalsContact C-N 3.29Å; G804-K806 PolarHBondContact O-N 3.2Å; K806-L808 VanDerWaalsContact C-N 3.35Å; K806-L808 PolarHBondContact O-N 3.46Å; K806-N809 WeakPolarHBondContact O-CB 3.28Å; K806-N809 PolarHBondContact O-N 3.13Å; K806-L810 WeakPolarHBondContact O-CG 3.35Å; K806-L810 PolarHBondContact O-N 3.47Å |
| 807 | L | 84.8 | Confident | 73.7 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 175.5 | -69.3 | 173.2 | 0 | 0 | 0 | 112.3 | I766 V769 I803 G804 N809 L810 L811 V869 L870 I873 | I766-L807 HydrophobicContact CD1-CD2 3.7Å; I766-L807 HydrophobicContact CD1-CG 4.1Å; V769-L807 HydrophobicContact CG1-CD2 4.09Å; V769-L807 HydrophobicContact CG2-CD2 4.49Å; I803-L807 HydrophobicContact CG2-CD1 4.19Å; I803-L807 PolarHBondContact O-N 3.22Å; G804-L807 PolarHBondContact O-N 3.04Å; L807-N809 VanDerWaalsContact C-N 3.34Å; L807-N809 PolarHBondContact O-N 3.08Å; L807-L810 WeakPolarHBondContact O-CB 3.22Å; L807-L810 PolarHBondContact O-N 3.3Å; L807-L811 PolarHBondContact O-N 3.39Å; L807-V869 HydrophobicContact CD1-CG1 3.91Å; L807-V869 HydrophobicContact CD2-CG1 4.24Å; L807-L870 HydrophobicContact CB-CD2 4.06Å; L807-L870 HydrophobicContact CB-CG 4.32Å; L807-L870 HydrophobicContact CD1-CD2 4.27Å; L807-I873 HydrophobicContact CD1-CD1 4.11Å |
| 808 | L | 80.9 | Confident | 71.9 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 175 | -74.9 | 163.7 | 0 | 0 | 0 | 112.5 | G804 R805 K806 L811 S812 L870 F887 I891 V906 A910 | G804-L808 WeakPolarHBondContact O-CG 3.41Å; G804-L808 PolarHBondContact O-N 3.21Å; R805-L808 PolarHBondContact O-N 2.8Å; K806-L808 VanDerWaalsContact C-N 3.35Å; K806-L808 PolarHBondContact O-N 3.46Å; L808-L811 HydrophobicContact CD2-CD2 4.48Å; L808-L811 WeakPolarHBondContact O-CB 3.4Å; L808-L811 PolarHBondContact O-N 2.92Å; L808-S812 PolarHBondContact O-N 3.01Å; L808-L870 HydrophobicContact CD2-CD1 4.12Å; L808-F887 HydrophobicContact CD1-CD1 3.54Å; L808-F887 HydrophobicContact CD1-CE1 3.54Å; L808-I891 HydrophobicContact CD1-CD1 3.59Å; L808-I891 HydrophobicContact CD2-CD1 4.24Å; L808-V906 HydrophobicContact CB-CG1 4.16Å; L808-V906 HydrophobicContact CD2-CG1 4.16Å; L808-A910 HydrophobicContact CD2-CB 3.8Å |
| 809 | N | 81.6 | Confident | 70.1 | Confident | 96 Ų | 96 | 64 Ų | 64 | 51% | 0.513 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 173.6 | -69.8 | -10.8 | 0 | 0 | 0 | 111.6 | R805 K806 L807 L811 S812 E813 | R805-N809 PolarHBondContact O-N 3.35Å; R805-N809 PolarHBondContact O-OD1 2.98Å; K806-N809 WeakPolarHBondContact O-CB 3.28Å; K806-N809 PolarHBondContact O-N 3.13Å; L807-N809 VanDerWaalsContact C-N 3.34Å; L807-N809 PolarHBondContact O-N 3.08Å; N809-L811 VanDerWaalsContact C-N 3.33Å; N809-L811 PolarHBondContact O-N 3.39Å; N809-S812 CarbonylContact O-C 3.27Å; N809-S812 WeakPolarHBondContact O-CA 3.4Å; N809-S812 WeakPolarHBondContact O-CB 3.23Å; N809-S812 PolarHBondContact O-N 3.17Å; N809-S812 VanDerWaalsContact O-N 3.1Å; N809-S812 PolarHBondContact O-OG 3.48Å; N809-E813 PolarHBondContact O-N 3.41Å |
| 810 | L | 81.7 | Confident | 68.3 | Low | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 174 | -63.8 | -171.4 | 0 | 0 | 0 | 112.3 | I766 V769 K770 K806 L807 S812 E813 A866 | I766-L810 HydrophobicContact CG2-CD1 4.12Å; V769-L810 HydrophobicContact CB-CD1 4.13Å; V769-L810 HydrophobicContact CG1-CD1 3.69Å; K770-L810 HydrophobicContact CD-CD2 4.01Å; K770-L810 VanDerWaalsContact CE-CD2 3.43Å; K770-L810 HydrophobicContact CG-CD1 3.72Å; K770-L810 HydrophobicContact CG-CD2 3.41Å; K770-L810 VanDerWaalsContact CG-CD2 3.41Å; K770-L810 HydrophobicContact CG-CG 4.21Å; K806-L810 WeakPolarHBondContact O-CG 3.35Å; K806-L810 PolarHBondContact O-N 3.47Å; L807-L810 WeakPolarHBondContact O-CB 3.22Å; L807-L810 PolarHBondContact O-N 3.3Å; L810-S812 PolarHBondContact O-N 2.88Å; L810-E813 WeakPolarHBondContact CD2-OE1 3.39Å; L810-E813 WeakPolarHBondContact O-CB 3.29Å; L810-E813 PolarHBondContact O-N 3.04Å; L810-A866 HydrophobicContact CB-CB 3.74Å |
| 811 | L | 75.7 | Confident | 66.4 | Low | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.6 | -34.9 | 174.8 | -173.3 | 67.5 | 0 | 0 | 0 | 110.9 | L807 L808 N809 S863 A866 L870 H909 A910 V913 | L807-L811 PolarHBondContact O-N 3.39Å; L808-L811 HydrophobicContact CD2-CD2 4.48Å; L808-L811 WeakPolarHBondContact O-CB 3.4Å; L808-L811 PolarHBondContact O-N 2.92Å; N809-L811 VanDerWaalsContact C-N 3.33Å; N809-L811 PolarHBondContact O-N 3.39Å; L811-S863 WeakPolarHBondContact CD1-O 3.48Å; L811-S863 PolarHBondContact O-OG 3.41Å; L811-A866 HydrophobicContact CB-CB 4.38Å; L811-L870 HydrophobicContact CB-CD1 4.41Å; L811-L870 HydrophobicContact CD2-CD1 3.96Å; L811-H909 VanDerWaalsContact CD1-CD2 3.48Å; L811-H909 WeakPolarHBondContact CD1-CD2 3.48Å; L811-H909 WeakPolarHBondContact CD1-NE2 3.37Å; L811-H909 HydrophobicContact CD2-CB 4.38Å; L811-H909 WeakPolarHBondContact CG-CD2 3.4Å; L811-H909 PolarHBondContact O-CD2 3.04Å; L811-H909 VanDerWaalsContact O-CD2 3.27Å; L811-A910 VanDerWaalsContact CD2-CA 3.48Å; L811-A910 HydrophobicContact CD2-CB 3.82Å; L811-V913 HydrophobicContact CD1-CG2 4.23Å |
| 812 | S | 67.8 | Low | 64.6 | Low | 51 Ų | 51 | 73.1 Ų | 73.1 | 36% | 0.357 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -8.8 | 177.5 | 79.9 | 0 | 0 | 0 | 0 | 115.9 | L808 N809 L810 Q814 | L808-S812 PolarHBondContact O-N 3.01Å; N809-S812 CarbonylContact O-C 3.27Å; N809-S812 WeakPolarHBondContact O-CA 3.4Å; N809-S812 WeakPolarHBondContact O-CB 3.23Å; N809-S812 PolarHBondContact O-N 3.17Å; N809-S812 VanDerWaalsContact O-N 3.1Å; N809-S812 PolarHBondContact O-OG 3.48Å; L810-S812 PolarHBondContact O-N 2.88Å; S812-Q814 CarbonylContact O-C 3.6Å; S812-Q814 PolarHBondContact O-N 3.09Å; S812-Q814 VanDerWaalsContact O-N 3.16Å |
| 813 | E | 61.8 | Low | 62.9 | Low | 83 Ų | 83 | 73.4 Ų | 73.4 | 39% | 0.388 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -10.6 | -179.3 | -77.9 | 178.9 | -174.6 | 0 | 0 | 113.2 | K770 N809 L810 R815 | K770-E813 IonicContact NZ-OE1 3.01Å; K770-E813 PolarHBondContact NZ-OE1 3.21Å; K770-E813 IonicContact NZ-OE2 2.66Å; K770-E813 PolarHBondContact NZ-OE2 3.38Å; N809-E813 PolarHBondContact O-N 3.41Å; L810-E813 WeakPolarHBondContact CD2-OE1 3.39Å; L810-E813 WeakPolarHBondContact O-CB 3.29Å; L810-E813 PolarHBondContact O-N 3.04Å; E813-R815 PolarHBondContact O-N 3.22Å |
| 814 | Q | 53.1 | Low | 61.3 | Low | 82 Ų | 82 | 75.1 Ų | 75.1 | 38% | 0.383 | 39% | 0.386 | S | S | . | . | trans | -64.4 | 71.3 | 153.4 | -86.4 | -171.6 | 0.7 | 0 | 0 | 109.1 | S812 I816 | S812-Q814 CarbonylContact O-C 3.6Å; S812-Q814 PolarHBondContact O-N 3.09Å; S812-Q814 VanDerWaalsContact O-N 3.16Å; Q814-I816 VanDerWaalsContact C-N 3.27Å; Q814-I816 PolarHBondContact O-N 3.25Å | ||
| 815 | R | 46 | Very low | 60 | Low | 209 Ų | 209 | 82.5 Ų | 82.5 | 79% | 0.789 | 43% | 0.425 | S | S | * | . | trans | -58.7 | 101.1 | 159.4 | -70.9 | -175.8 | -179.8 | 178.3 | 0.7 | 105 | E813 A817 | E813-R815 PolarHBondContact O-N 3.22Å; R815-A817 VanDerWaalsContact C-N 3.31Å; R815-A817 PolarHBondContact O-N 3.41Å | ||
| 816 | I | 49.6 | Very low | 58.8 | Low | 60 Ų | 60 | 77.8 Ų | 77.8 | 31% | 0.308 | 41% | 0.413 | S | S | . | . | trans | -45.2 | 109 | 157 | -59.4 | 166 | 0 | 0 | 0 | 103.6 | Q814 S818 L821 L830 A944 L948 | Q814-I816 VanDerWaalsContact C-N 3.27Å; Q814-I816 PolarHBondContact O-N 3.25Å; I816-S818 VanDerWaalsContact C-N 3.33Å; I816-S818 WeakPolarHBondContact O-CA 3.47Å; I816-S818 PolarHBondContact O-N 2.65Å; I816-L821 HydrophobicContact CG2-CD1 3.61Å; I816-L830 HydrophobicContact CG2-CD1 4.11Å; I816-A944 HydrophobicContact CD1-CB 3.71Å; I816-L948 HydrophobicContact CD1-CD1 4.36Å; I816-L948 HydrophobicContact CD1-CG 4.43Å | ||
| 817 | A | 43.4 | Very low | 57.8 | Low | 68 Ų | 68 | 76.5 Ų | 76.5 | 56% | 0.562 | 41% | 0.412 | S | S | * | . | trans | -44.5 | 97.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | R815 H819 | R815-A817 VanDerWaalsContact C-N 3.31Å; R815-A817 PolarHBondContact O-N 3.41Å; A817-H819 PolarHBondContact O-N 3.43Å | ||
| 818 | S | 39.1 | Very low | 56.9 | Low | 66 Ų | 66 | 77.2 Ų | 77.2 | 46% | 0.462 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -81.4 | -9.5 | -165.3 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | I816 D820 L821 | I816-S818 VanDerWaalsContact C-N 3.33Å; I816-S818 WeakPolarHBondContact O-CA 3.47Å; I816-S818 PolarHBondContact O-N 2.65Å; S818-D820 VanDerWaalsContact C-N 3.26Å; S818-D820 PolarHBondContact O-N 3.34Å; S818-L821 PolarHBondContact O-N 3.34Å |
| 819 | H | 39.6 | Very low | 56.5 | Low | 173 Ų | 173 | 77.1 Ų | 77.1 | 80% | 0.801 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -64.1 | -28.9 | -175.1 | -92.6 | -75.7 | 0 | 0 | 0 | 113 | A817 | A817-H819 PolarHBondContact O-N 3.43Š|
| 820 | D | 44 | Very low | 55.8 | Low | 124 Ų | 124 | 73.2 Ų | 73.2 | 66% | 0.663 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -101.9 | -5.1 | 177.7 | -60.9 | -22.1 | 0 | 0 | 0 | 113.6 | S818 | S818-D820 VanDerWaalsContact C-N 3.26Å; S818-D820 PolarHBondContact O-N 3.34Å |
| 821 | L | 44.9 | Very low | 55 | Low | 37 Ų | 37 | 73.4 Ų | 73.4 | 19% | 0.194 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -13 | -172.2 | -70.1 | 170.7 | 0 | 0 | 0 | 114.4 | I816 S818 E823 C824 L830 | I816-L821 HydrophobicContact CG2-CD1 3.61Å; S818-L821 PolarHBondContact O-N 3.34Å; L821-E823 PolarHBondContact O-N 3.43Å; L821-C824 PolarHBondContact O-N 3.43Å; L821-L830 HydrophobicContact CD1-CD2 4Å; L821-L830 HydrophobicContact CD2-CD2 3.73Å |
| 822 | S | 44.2 | Very low | 54.3 | Low | 107 Ų | 107 | 74 Ų | 74 | 75% | 0.748 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -21.2 | 176.7 | 71 | 0 | 0 | 0 | 0 | 113.3 | C824 | S822-C824 VanDerWaalsContact C-N 3.35Š|
| 823 | E | 47.9 | Very low | 53.7 | Low | 176 Ų | 176 | 73.4 Ų | 73.4 | 82% | 0.822 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -9.2 | 175.6 | -65 | -172 | 163.6 | 0 | 0 | 113.3 | L821 D825 | L821-E823 PolarHBondContact O-N 3.43Å; E823-D825 PolarHBondContact O-N 2.86Å |
| 824 | C | 51.2 | Low | 53.1 | Low | 43 Ų | 43 | 73.4 Ų | 73.4 | 29% | 0.291 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -89.2 | 105.2 | 178.1 | -57.8 | 0 | 0 | 0 | 0 | 108.6 | L821 S822 G826 C828 | L821-C824 PolarHBondContact O-N 3.43Å; S822-C824 VanDerWaalsContact C-N 3.35Å; C824-G826 PolarHBondContact O-N 3.4Å; C824-C828 HydrophobicContact CB-CB 4.03Å |
| 825 | D | 55.8 | Low | 52.4 | Low | 155 Ų | 155 | 73.6 Ų | 73.6 | 83% | 0.829 | 40% | 0.402 | S | S | * | . | trans | -60.2 | 49.9 | 175.6 | -85.9 | -28.4 | 0 | 0 | 0 | 114.4 | E823 T827 | E823-D825 PolarHBondContact O-N 2.86Å; D825-T827 PolarHBondContact O-N 3.21Å; D825-T827 VanDerWaalsContact O-N 3.13Å | ||
| 826 | G | 57.6 | Low | 51.9 | Low | 18 Ų | 18 | 68.4 Ų | 68.4 | 19% | 0.186 | 39% | 0.387 | C | S | . | . | S | Bend | trans | 71.6 | 2.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | C824 N941 R946 | C824-G826 PolarHBondContact O-N 3.4Å; G826-N941 WeakPolarHBondContact CA-O 3.33Å; G826-R946 PolarHBondContact O-NH2 2.99Å |
| 827 | T | 63.1 | Low | 51 | Low | 54 Ų | 54 | 73 Ų | 73 | 33% | 0.331 | 41% | 0.407 | S | S | . | . | trans | -97 | -3.1 | -170.7 | 48 | 0 | 0 | 0 | 0 | 115.3 | D825 I986 H1022 | D825-T827 PolarHBondContact O-N 3.21Å; D825-T827 VanDerWaalsContact O-N 3.13Å; T827-I986 WeakPolarHBondContact O-CD1 3.45Å; T827-H1022 VanDerWaalsContact CB-NE2 3.27Å; T827-H1022 WeakPolarHBondContact CB-NE2 3.39Å; T827-H1022 WeakPolarHBondContact CG2-NE2 3.41Å; T827-H1022 PolarHBondContact O-CE1 2.87Å | ||
| 828 | C | 66.7 | Low | 50.3 | Low | 15 Ų | 15 | 75.4 Ų | 75.4 | 10% | 0.101 | 42% | 0.415 | C | S | . | . | trans | -77.5 | 144.7 | -179.2 | -172.1 | 0 | 0 | 0 | 0 | 112.4 | C824 C943 R946 | C824-C828 HydrophobicContact CB-CB 4.03Å; C828-C943 HydrophobicContact CB-CB 4.29Å; C828-C943 WeakPolarHBondContact O-CB 3.39Å; C828-R946 PolarHBondContact O-NH1 3.35Å; C828-R946 PolarHBondContact O-NH2 3.22Å | ||
| 829 | I | 72.6 | Confident | 49.7 | Very low | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 43% | 0.427 | C | S | . | . | trans | -111.8 | 108.5 | 172.1 | -61.2 | 179 | 0 | 0 | 0 | 107.1 | S831 L832 I986 E990 K1024 C1028 | I829-S831 VanDerWaalsContact C-N 3.32Å; I829-S831 VanDerWaalsContact CG2-OG 3.31Å; I829-S831 WeakPolarHBondContact CG2-OG 3.43Å; I829-S831 PolarHBondContact O-N 2.85Å; I829-L832 HydrophobicContact CB-CD1 4.16Å; I829-L832 HydrophobicContact CB-CG 4.41Å; I829-L832 HydrophobicContact CD1-CD1 4.46Å; I829-L832 HydrophobicContact CG2-CD1 4.21Å; I829-L832 HydrophobicContact CG2-CG 4.04Å; I829-L832 PolarHBondContact O-N 2.83Å; I829-I986 HydrophobicContact CD1-CD1 4.39Å; I829-I986 HydrophobicContact CD1-CG1 3.95Å; I829-I986 HydrophobicContact CG1-CD1 3.82Å; I829-I986 HydrophobicContact CG1-CG1 3.67Å; I829-E990 HydrophobicContact CG2-CB 4.12Å; I829-E990 HydrophobicContact CG2-CG 3.95Å; I829-K1024 HydrophobicContact CD1-CB 4.19Å; I829-K1024 VanDerWaalsContact CD1-O 3.28Å; I829-K1024 WeakPolarHBondContact CD1-O 3.26Å; I829-K1024 HydrophobicContact CG1-CB 4.34Å; I829-C1028 HydrophobicContact CD1-CB 3.58Å | ||
| 830 | L | 66.2 | Low | 49 | Very low | 14 Ų | 14 | 71.2 Ų | 71.2 | 7% | 0.073 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -72.9 | -27.8 | -170.1 | -69.7 | 173 | 0 | 0 | 0 | 112.4 | I816 L821 L832 C833 T834 C943 H947 E990 | I816-L830 HydrophobicContact CG2-CD1 4.11Å; L821-L830 HydrophobicContact CD1-CD2 4Å; L821-L830 HydrophobicContact CD2-CD2 3.73Å; L830-L832 PolarHBondContact O-N 3.01Å; L830-C833 PolarHBondContact O-N 3.24Å; L830-T834 PolarHBondContact O-N 3.25Å; L830-T834 PolarHBondContact O-OG1 3.36Å; L830-C943 HydrophobicContact CD1-CB 4.34Å; L830-C943 HydrophobicContact CG-CB 4.29Å; L830-H947 HydrophobicContact CB-CB 4Å; L830-H947 HydrophobicContact CD1-CB 3.79Å; L830-H947 HydrophobicContact CG-CB 4.4Å; L830-E990 PolarHBondContact N-OE1 3.24Å |
| 831 | S | 65.2 | Low | 48.1 | Very low | 6 Ų | 6 | 78.1 Ų | 78.1 | 4% | 0.042 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.8 | -21 | 176.7 | 63 | 0 | 0 | 0 | 0 | 114.3 | I829 E990 | I829-S831 VanDerWaalsContact C-N 3.32Å; I829-S831 VanDerWaalsContact CG2-OG 3.31Å; I829-S831 WeakPolarHBondContact CG2-OG 3.43Å; I829-S831 PolarHBondContact O-N 2.85Å; S831-E990 PolarHBondContact N-OE1 2.89Å |
| 832 | L | 60.9 | Low | 47.2 | Very low | 12 Ų | 12 | 81 Ų | 81 | 6% | 0.063 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -85.2 | -33.1 | 172.5 | -66.5 | 176.6 | 0 | 0 | 0 | 112.2 | I829 L830 E1027 C1028 E1031 | I829-L832 HydrophobicContact CB-CD1 4.16Å; I829-L832 HydrophobicContact CB-CG 4.41Å; I829-L832 HydrophobicContact CD1-CD1 4.46Å; I829-L832 HydrophobicContact CG2-CD1 4.21Å; I829-L832 HydrophobicContact CG2-CG 4.04Å; I829-L832 PolarHBondContact O-N 2.83Å; L830-L832 PolarHBondContact O-N 3.01Å; L832-E1027 HydrophobicContact CD1-CB 4.22Å; L832-E1027 HydrophobicContact CD1-CG 4.04Å; L832-C1028 HydrophobicContact CD1-CB 3.98Å; L832-E1031 WeakPolarHBondContact CD2-OE2 3.43Å |
| 833 | C | 54.9 | Low | 46.2 | Very low | 39 Ų | 39 | 84.9 Ų | 84.9 | 26% | 0.264 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -76.4 | -34.4 | -174.8 | -69.3 | 0 | 0 | 0 | 0 | 113.2 | L830 E835 Q836 | L830-C833 PolarHBondContact O-N 3.24Å; C833-E835 PolarHBondContact O-N 3.49Å; C833-E835 VanDerWaalsContact O-N 3.14Å; C833-Q836 PolarHBondContact O-N 2.82Å |
| 834 | T | 49.2 | Very low | 45 | Very low | 84 Ų | 84 | 82.1 Ų | 82.1 | 52% | 0.515 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.7 | -26.8 | -179.6 | 38.2 | 0 | 0 | 0 | 0 | 113.4 | L830 | L830-T834 PolarHBondContact O-N 3.25Å; L830-T834 PolarHBondContact O-OG1 3.36Å |
| 835 | E | 38.3 | Very low | 43.8 | Very low | 85 Ų | 85 | 87.3 Ų | 87.3 | 40% | 0.397 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -78.6 | -30.9 | 176.1 | -68.7 | -177.6 | -177.9 | 0 | 0 | 113.3 | C833 Q837 T838 K997 | C833-E835 PolarHBondContact O-N 3.49Å; C833-E835 VanDerWaalsContact O-N 3.14Å; E835-Q837 VanDerWaalsContact C-N 3.33Å; E835-Q837 PolarHBondContact O-N 3.29Å; E835-T838 PolarHBondContact O-N 3.49Å; E835-T838 PolarHBondContact O-OG1 3.03Å; E835-K997 IonicContact OE1-NZ 3.18Å; E835-K997 PolarHBondContact OE1-NZ 2.71Å; E835-K997 IonicContact OE2-NZ 3.41Å |
| 836 | Q | 35.3 | Very low | 42.3 | Very low | 100 Ų | 100 | 85.6 Ų | 85.6 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.2 | -35.5 | -178.4 | -67.7 | -172.9 | -14.7 | 0 | 0 | 111.5 | C833 C839 | C833-Q836 PolarHBondContact O-N 2.82Å; Q836-C839 PolarHBondContact O-N 3.47Å |
| 837 | Q | 31 | Very low | 40.9 | Very low | 158 Ų | 158 | 91.2 Ų | 91.2 | 74% | 0.738 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.4 | -28.7 | 178.2 | -71.4 | -173.4 | -14 | 0 | 0 | 113.1 | E835 C839 | E835-Q837 VanDerWaalsContact C-N 3.33Å; E835-Q837 PolarHBondContact O-N 3.29Å; Q837-C839 VanDerWaalsContact C-N 3.3Å; Q837-C839 PolarHBondContact O-N 2.79Å |
| 838 | T | 28.8 | Very low | 39.1 | Very low | 117 Ų | 117 | 96.5 Ų | 96.5 | 72% | 0.718 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -73.3 | -20.2 | 176.6 | 47.6 | 0 | 0 | 0 | 0 | 113.7 | E835 | E835-T838 PolarHBondContact O-N 3.49Å; E835-T838 PolarHBondContact O-OG1 3.03Å |
| 839 | C | 25.8 | Very low | 37 | Very low | 108 Ų | 108 | 102.9 Ų | 102.9 | 73% | 0.73 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | 3.5 | -171.5 | -88.4 | 0 | 0 | 0 | 0 | 116 | Q836 Q837 | Q836-C839 PolarHBondContact O-N 3.47Å; Q837-C839 VanDerWaalsContact C-N 3.3Å; Q837-C839 PolarHBondContact O-N 2.79Å |
| 840 | G | 25.4 | Very low | 34.8 | Very low | 44 Ų | 44 | 108.7 Ų | 108.7 | 45% | 0.454 | 60% | 0.603 | S | S | . | * | trans | -150.1 | 84.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | S842 | G840-S842 PolarHBondContact O-N 3.1Å; G840-S842 VanDerWaalsContact O-N 3.16Å | ||
| 841 | R | 24.5 | Very low | 32.9 | Very low | 268 Ų | 268 | 114.2 Ų | 114.2 | 100% | 1.011 | 64% | 0.637 | S | S | * | * | trans | -74.8 | 82.9 | 145.4 | -82.6 | -175.8 | 175.7 | 174.1 | -0.1 | 107.8 | ||||
| 842 | S | 26.8 | Very low | 30.9 | Very low | 98 Ų | 98 | 122.1 Ų | 122.1 | 69% | 0.685 | 67% | 0.674 | S | S | * | * | trans | -142.3 | 98 | 171 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | G840 C844 | G840-S842 PolarHBondContact O-N 3.1Å; G840-S842 VanDerWaalsContact O-N 3.16Å; S842-C844 PolarHBondContact O-N 3.1Å | ||
| 843 | Q | 23.4 | Very low | 29.2 | Very low | 188 Ų | 188 | 131.4 Ų | 131.4 | 88% | 0.879 | 71% | 0.714 | S | S | * | * | trans | 24.2 | 88 | 149.3 | -63.6 | 176.8 | -5.1 | 0 | 0 | 116.6 | ||||
| 844 | C | 22.7 | Very low | 27.7 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | -91.8 | 102.9 | 159.9 | -153 | 0 | 0 | 0 | 0 | 108 | S842 T846 | S842-C844 PolarHBondContact O-N 3.1Å; C844-T846 PolarHBondContact O-N 2.73Å | ||
| 845 | N | 26 | Very low | 26.7 | Very low | 152 Ų | 152 | 134 Ų | 134 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | trans | -74.9 | 93.2 | 173.8 | -81.1 | -16.1 | 0 | 0 | 0 | 109.6 | ||||
| 846 | T | 24.8 | Very low | 26.4 | Very low | 119 Ų | 119 | 136 Ų | 136 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | trans | -140.8 | 108.5 | 161 | 43.6 | 0 | 0 | 0 | 0 | 109.3 | C844 | C844-T846 PolarHBondContact O-N 2.73Š| ||
| 847 | V | 27 | Very low | 26.4 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | trans | 20.9 | 116.6 | 161.7 | -171.3 | 0 | 0 | 0 | 0 | 117.4 | L849 | V847-L849 PolarHBondContact O-N 3.44Š| ||
| 848 | D | 26.2 | Very low | 26.5 | Very low | 164 Ų | 164 | 132 Ų | 132 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | trans | -36.8 | 99.1 | 175.5 | -60.9 | -56.4 | 0 | 0 | 0 | 115 | ||||
| 849 | L | 22.9 | Very low | 27.1 | Very low | 149 Ų | 149 | 128 Ų | 128 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | trans | -122.9 | 134.8 | 148.1 | -83.7 | 157.6 | 0 | 0 | 0 | 106.7 | V847 T851 | V847-L849 PolarHBondContact O-N 3.44Å; L849-T851 PolarHBondContact O-N 3.45Å | ||
| 850 | P | 26.5 | Very low | 28.8 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | trans | -65.9 | 104.9 | -168.3 | 26.8 | -31.7 | 0 | 0 | 0 | 108.9 | E852 | P850-E852 PolarHBondContact O-N 3.49Š| ||
| 851 | T | 24.7 | Very low | 31 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | trans | -67.2 | 103.1 | 172.6 | 34 | 0 | 0 | 0 | 0 | 107.4 | L849 K853 | L849-T851 PolarHBondContact O-N 3.45Å; T851-K853 PolarHBondContact O-N 3.46Å | ||
| 852 | E | 23.8 | Very low | 33.6 | Very low | 173 Ų | 173 | 113.2 Ų | 113.2 | 81% | 0.808 | 65% | 0.653 | S | S | * | * | trans | -53.4 | 111.9 | 164.1 | -78.4 | -174.9 | 150.3 | 0 | 0 | 107.6 | P850 V854 | P850-E852 PolarHBondContact O-N 3.49Å; E852-V854 PolarHBondContact O-N 2.99Å | ||
| 853 | K | 24.5 | Very low | 36 | Very low | 207 Ų | 207 | 108.7 Ų | 108.7 | 90% | 0.9 | 62% | 0.621 | S | S | * | * | trans | -65.5 | 84.9 | 173.9 | -68.7 | 178.2 | 179.3 | 175.2 | 0 | 108.6 | T851 S855 | T851-K853 PolarHBondContact O-N 3.46Å; K853-S855 PolarHBondContact O-N 3.31Å | ||
| 854 | V | 24.9 | Very low | 38.7 | Very low | 118 Ų | 118 | 104.1 Ų | 104.1 | 72% | 0.715 | 60% | 0.596 | S | S | * | * | trans | -80.8 | 108.7 | 164.6 | -176.7 | 0 | 0 | 0 | 0 | 106.9 | E852 P856 | E852-V854 PolarHBondContact O-N 2.99Å; V854-P856 WeakPolarHBondContact O-CD 3.35Å | ||
| 855 | S | 27.2 | Very low | 41.6 | Very low | 58 Ų | 58 | 98.5 Ų | 98.5 | 41% | 0.406 | 56% | 0.558 | S | S | . | * | trans | -55 | 117.8 | 170.4 | 27.6 | 0 | 0 | 0 | 0 | 109.9 | K853 S857 D858 | K853-S855 PolarHBondContact O-N 3.31Å; S855-S857 PolarHBondContact O-N 3.41Å; S855-S857 VanDerWaalsContact O-N 3.11Å; S855-D858 PolarHBondContact OG-OD2 2.94Å | ||
| 856 | P | 31.8 | Very low | 44.5 | Very low | 129 Ų | 129 | 91.3 Ų | 91.3 | 84% | 0.838 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 1.4 | -178.7 | 26.5 | -32 | 0 | 0 | 0 | 114.4 | V854 | V854-P856 WeakPolarHBondContact O-CD 3.35Š|
| 857 | S | 35.8 | Very low | 47.3 | Very low | 68 Ų | 68 | 85.7 Ų | 85.7 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -38.4 | 177.7 | 45.2 | 0 | 0 | 0 | 0 | 113.4 | S855 G859 S860 | S855-S857 PolarHBondContact O-N 3.41Å; S855-S857 VanDerWaalsContact O-N 3.11Å; S857-G859 PolarHBondContact O-N 3.36Å; S857-S860 PolarHBondContact O-N 3.27Å |
| 858 | D | 33.9 | Very low | 50 | Low | 106 Ų | 106 | 83.3 Ų | 83.3 | 57% | 0.567 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -76.8 | -27.1 | -156 | -53.8 | -22.4 | 0 | 0 | 0 | 112.8 | S855 | S855-D858 PolarHBondContact OG-OD2 2.94Å |
| 859 | G | 41.3 | Very low | 53 | Low | 32 Ų | 32 | 75.5 Ų | 75.5 | 33% | 0.33 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -76.8 | -19.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S857 | S857-G859 PolarHBondContact O-N 3.36Å |
| 860 | S | 61.5 | Low | 56 | Low | 56 Ų | 56 | 68.4 Ų | 68.4 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -76.2 | -42.5 | -175.9 | -172.6 | 0 | 0 | 0 | 0 | 112.1 | S857 S863 R864 | S857-S860 PolarHBondContact O-N 3.27Å; S860-S863 PolarHBondContact O-N 2.45Å; S860-R864 WeakPolarHBondContact O-CB 3.35Å; S860-R864 PolarHBondContact O-N 3.38Å; S860-R864 VanDerWaalsContact O-N 3.12Å |
| 861 | N | 71.1 | Confident | 58.8 | Low | 51 Ų | 51 | 63 Ų | 63 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.5 | -42.5 | -176.6 | -72.6 | -0.7 | 0 | 0 | 0 | 111.6 | D773 S863 R864 N865 | D773-N861 PolarHBondContact OD1-ND2 2.96Å; N861-S863 PolarHBondContact O-N 3.34Å; N861-R864 PolarHBondContact O-N 2.88Å; N861-N865 WeakPolarHBondContact O-CB 3.41Å; N861-N865 PolarHBondContact O-N 3.21Å; N861-N865 PolarHBondContact O-ND2 3.2Å; N861-N865 PolarHBondContact O-OD1 3.45Å |
| 862 | S | 78 | Confident | 61.6 | Low | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.7 | -47.9 | 177.7 | -176.6 | 0 | 0 | 0 | 0 | 113 | K770 N865 A866 | K770-S862 WeakPolarHBondContact O-CA 3.42Å; K770-S862 VanDerWaalsContact O-CB 3.22Å; K770-S862 WeakPolarHBondContact O-CB 3.09Å; S862-N865 PolarHBondContact O-N 3.37Å; S862-A866 VanDerWaalsContact O-CB 3.26Å; S862-A866 WeakPolarHBondContact O-CB 3.3Å; S862-A866 PolarHBondContact O-N 3.06Å |
| 863 | S | 77.7 | Confident | 64.6 | Low | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.6 | -39.3 | -178.7 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | L811 S860 N861 G867 H909 | L811-S863 WeakPolarHBondContact CD1-O 3.48Å; L811-S863 PolarHBondContact O-OG 3.41Å; S860-S863 PolarHBondContact O-N 2.45Å; N861-S863 PolarHBondContact O-N 3.34Å; S863-G867 PolarHBondContact O-N 3.1Å; S863-H909 PolarHBondContact OG-NE2 3.43Å |
| 864 | R | 79.9 | Confident | 67.4 | Low | 92 Ų | 92 | 43.1 Ų | 43.1 | 35% | 0.347 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.9 | -49.2 | 175.3 | -173.1 | -178 | 74.2 | 100.8 | 7.9 | 111.5 | D775 S860 N861 G867 R868 | D775-R864 IonicContact OD1-CZ 3.78Å; D775-R864 IonicContact OD1-NH1 3.17Å; D775-R864 PolarHBondContact OD1-NH1 2.98Å; D775-R864 IonicContact OD1-NH2 2.84Å; D775-R864 PolarHBondContact OD1-NH2 3.24Å; D775-R864 IonicContact OD2-NH1 3.07Å; D775-R864 PolarHBondContact OD2-NH1 3.29Å; S860-R864 WeakPolarHBondContact O-CB 3.35Å; S860-R864 PolarHBondContact O-N 3.38Å; S860-R864 VanDerWaalsContact O-N 3.12Å; N861-R864 PolarHBondContact O-N 2.88Å; R864-G867 PolarHBondContact O-N 2.87Å; R864-R868 PolarHBondContact O-N 3.25Å |
| 865 | N | 84.7 | Confident | 70.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.7 | -46.6 | -177.6 | -65.3 | -11 | 0 | 0 | 0 | 111.7 | V769 G772 V778 N861 S862 G867 R868 V869 | V769-N865 HydrophobicContact CG1-CB 4.13Å; V769-N865 VanDerWaalsContact O-CB 3.3Å; V769-N865 WeakPolarHBondContact O-CB 3.43Å; V769-N865 PolarHBondContact O-ND2 3.43Å; G772-N865 PolarHBondContact O-ND2 3.48Å; V778-N865 HydrophobicContact CG1-CB 4.25Å; V778-N865 HydrophobicContact CG2-CB 4.2Å; N861-N865 WeakPolarHBondContact O-CB 3.41Å; N861-N865 PolarHBondContact O-N 3.21Å; N861-N865 PolarHBondContact O-ND2 3.2Å; N861-N865 PolarHBondContact O-OD1 3.45Å; S862-N865 PolarHBondContact O-N 3.37Å; N865-G867 PolarHBondContact O-N 3.16Å; N865-R868 PolarHBondContact O-N 2.91Å; N865-V869 WeakPolarHBondContact O-CG2 3.21Å; N865-V869 PolarHBondContact O-N 3.2Å |
| 866 | A | 86 | Confident | 72.9 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.9 | -39.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V769 L810 L811 S862 V869 L870 | V769-A866 HydrophobicContact CG1-CB 3.86Å; L810-A866 HydrophobicContact CB-CB 3.74Å; L811-A866 HydrophobicContact CB-CB 4.38Å; S862-A866 VanDerWaalsContact O-CB 3.26Å; S862-A866 WeakPolarHBondContact O-CB 3.3Å; S862-A866 PolarHBondContact O-N 3.06Å; A866-V869 PolarHBondContact O-N 3.29Å; A866-L870 WeakPolarHBondContact O-CB 3.3Å; A866-L870 VanDerWaalsContact O-CG 3.25Å; A866-L870 WeakPolarHBondContact O-CG 3.25Å; A866-L870 PolarHBondContact O-N 3.39Å |
| 867 | G | 84.6 | Confident | 75.4 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.2 | -54.4 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | S863 R864 N865 V869 L870 A871 V913 | S863-G867 PolarHBondContact O-N 3.1Å; R864-G867 PolarHBondContact O-N 2.87Å; N865-G867 PolarHBondContact O-N 3.16Å; G867-V869 VanDerWaalsContact C-N 3.33Å; G867-V869 PolarHBondContact O-N 3Å; G867-L870 PolarHBondContact O-N 3.38Å; G867-A871 WeakPolarHBondContact O-CB 3.22Å; G867-A871 PolarHBondContact O-N 3.46Å; G867-V913 WeakPolarHBondContact O-CG1 3.32Å |
| 868 | R | 84 | Confident | 77.6 | Confident | 88 Ų | 88 | 37.1 Ų | 37.1 | 33% | 0.332 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -56.9 | -44.3 | 177.6 | -80.4 | -166.3 | 169.5 | -175.2 | 11.3 | 112.9 | D775 V778 D779 R864 N865 A871 K872 | D775-R868 VanDerWaalsContact CB-NH1 3.3Å; D775-R868 IonicContact OD1-CZ 3.08Å; D775-R868 IonicContact OD1-NH1 2.9Å; D775-R868 IonicContact OD2-CZ 2.89Å; D775-R868 IonicContact OD2-NH1 2.77Å; D775-R868 PolarHBondContact OD2-NH1 2.99Å; D775-R868 IonicContact OD2-NH2 3.89Å; D775-R868 PolarHBondContact OD2-NH2 3.39Å; V778-R868 HydrophobicContact CG1-CB 4.14Å; D779-R868 IonicContact OD1-NH1 3.91Å; R864-R868 PolarHBondContact O-N 3.25Å; N865-R868 PolarHBondContact O-N 2.91Å; R868-A871 PolarHBondContact O-N 2.92Å; R868-K872 PolarHBondContact O-N 2.92Å |
| 869 | V | 87.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 177.5 | 172.4 | 0 | 0 | 0 | 0 | 111 | V769 V778 A782 L785 L807 N865 A866 G867 A871 K872 I873 | V769-V869 HydrophobicContact CG2-CG2 3.96Å; V778-V869 HydrophobicContact CG1-CG2 4.33Å; A782-V869 HydrophobicContact CB-CB 4.33Å; A782-V869 HydrophobicContact CB-CG2 3.97Å; L785-V869 HydrophobicContact CD1-CG1 3.66Å; L807-V869 HydrophobicContact CD1-CG1 3.91Å; L807-V869 HydrophobicContact CD2-CG1 4.24Å; N865-V869 WeakPolarHBondContact O-CG2 3.21Å; N865-V869 PolarHBondContact O-N 3.2Å; A866-V869 PolarHBondContact O-N 3.29Å; G867-V869 VanDerWaalsContact C-N 3.33Å; G867-V869 PolarHBondContact O-N 3Å; V869-A871 VanDerWaalsContact C-N 3.33Å; V869-A871 PolarHBondContact O-N 3.47Å; V869-K872 PolarHBondContact O-N 2.64Å; V869-I873 HydrophobicContact CG1-CD1 3.75Å; V869-I873 VanDerWaalsContact O-CG1 3.3Å; V869-I873 WeakPolarHBondContact O-CG1 3.33Å; V869-I873 PolarHBondContact O-N 3.28Å |
| 870 | L | 86.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.5 | -38.1 | 177.9 | -72.4 | 170 | 0 | 0 | 0 | 112 | L807 L808 L811 A866 G867 I873 A874 M888 T914 | L807-L870 HydrophobicContact CB-CD2 4.06Å; L807-L870 HydrophobicContact CB-CG 4.32Å; L807-L870 HydrophobicContact CD1-CD2 4.27Å; L808-L870 HydrophobicContact CD2-CD1 4.12Å; L811-L870 HydrophobicContact CB-CD1 4.41Å; L811-L870 HydrophobicContact CD2-CD1 3.96Å; A866-L870 WeakPolarHBondContact O-CB 3.3Å; A866-L870 VanDerWaalsContact O-CG 3.25Å; A866-L870 WeakPolarHBondContact O-CG 3.25Å; A866-L870 PolarHBondContact O-N 3.39Å; G867-L870 PolarHBondContact O-N 3.38Å; L870-I873 PolarHBondContact O-N 3.34Å; L870-A874 VanDerWaalsContact O-CB 3.25Å; L870-A874 WeakPolarHBondContact O-CB 3.49Å; L870-A874 PolarHBondContact O-N 3.35Å; L870-M888 HydrophobicContact CB-CE 3.96Å; L870-M888 HydrophobicContact CD2-CE 3.77Å; L870-M888 HydrophobicContact CD2-SD 3.74Å; L870-M888 HydrophobicContact CG-CE 4.41Å; L870-T914 HydrophobicContact CB-CG2 4.2Å |
| 871 | A | 85.2 | Confident | 82.3 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G867 R868 V869 A874 G875 V913 | G867-A871 WeakPolarHBondContact O-CB 3.22Å; G867-A871 PolarHBondContact O-N 3.46Å; R868-A871 PolarHBondContact O-N 2.92Å; V869-A871 VanDerWaalsContact C-N 3.33Å; V869-A871 PolarHBondContact O-N 3.47Å; A871-A874 PolarHBondContact O-N 3.15Å; A871-G875 PolarHBondContact O-N 3.5Å; A871-V913 HydrophobicContact CB-CG1 4.34Å |
| 872 | K | 84.8 | Confident | 82.7 | Confident | 89 Ų | 89 | 43.4 Ų | 43.4 | 39% | 0.387 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64 | -44.2 | 175.5 | -169.6 | 84.2 | 170.6 | -154 | 0 | 111.9 | A782 E783 R868 V869 G875 Y876 | A782-K872 HydrophobicContact CB-CB 3.9Å; A782-K872 HydrophobicContact CB-CG 4.05Å; E783-K872 IonicContact OE1-NZ 3.71Å; E783-K872 PolarHBondContact OE1-NZ 3.38Å; R868-K872 PolarHBondContact O-N 2.92Å; V869-K872 PolarHBondContact O-N 2.64Å; K872-G875 PolarHBondContact O-N 3.32Å; K872-Y876 WeakPolarHBondContact O-CB 3.29Å; K872-Y876 PolarHBondContact O-N 2.87Å |
| 873 | I | 86.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.5 | -47.9 | 177.2 | -68.9 | 166.4 | 0 | 0 | 0 | 110.5 | T786 L789 L807 V869 L870 Y876 Y877 L881 M885 | T786-I873 WeakPolarHBondContact OG1-CG1 3.27Å; L789-I873 HydrophobicContact CD1-CD1 3.94Å; L789-I873 HydrophobicContact CD1-CG1 4.26Å; L789-I873 HydrophobicContact CD1-CG2 4.03Å; L807-I873 HydrophobicContact CD1-CD1 4.11Å; V869-I873 HydrophobicContact CG1-CD1 3.75Å; V869-I873 VanDerWaalsContact O-CG1 3.3Å; V869-I873 WeakPolarHBondContact O-CG1 3.33Å; V869-I873 PolarHBondContact O-N 3.28Å; L870-I873 PolarHBondContact O-N 3.34Å; I873-Y876 PolarHBondContact O-N 3.22Å; I873-Y877 HydrophobicContact CG2-CD2 3.98Å; I873-Y877 HydrophobicContact CG2-CE2 4.4Å; I873-Y877 WeakPolarHBondContact O-CD2 3.37Å; I873-Y877 PolarHBondContact O-N 3.18Å; I873-Y877 VanDerWaalsContact O-N 3.08Å; I873-L881 HydrophobicContact CG2-CD1 4.18Å; I873-M885 HydrophobicContact CG2-SD 4.08Å |
| 874 | A | 83.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L870 A871 Y876 Q878 M888 T914 L918 | L870-A874 VanDerWaalsContact O-CB 3.25Å; L870-A874 WeakPolarHBondContact O-CB 3.49Å; L870-A874 PolarHBondContact O-N 3.35Å; A871-A874 PolarHBondContact O-N 3.15Å; A874-Y876 PolarHBondContact O-N 2.93Å; A874-Q878 WeakPolarHBondContact O-CA 3.41Å; A874-Q878 PolarHBondContact O-N 3.03Å; A874-M888 HydrophobicContact CB-CE 3.98Å; A874-T914 HydrophobicContact CB-CG2 3.93Å; A874-L918 HydrophobicContact CB-CD2 4.13Å |
| 875 | G | 83.5 | Confident | 82.7 | Confident | 19 Ų | 19 | 44 Ų | 44 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.1 | -31 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | A871 K872 Q878 S917 | A871-G875 PolarHBondContact O-N 3.5Å; K872-G875 PolarHBondContact O-N 3.32Å; G875-Q878 WeakPolarHBondContact O-CG 3.48Å; G875-Q878 PolarHBondContact O-NE2 2.69Å; G875-S917 WeakPolarHBondContact CA-O 3.27Å |
| 876 | Y | 83.4 | Confident | 82.4 | Confident | 144 Ų | 144 | 46.8 Ų | 46.8 | 57% | 0.565 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -80.5 | -44.9 | 178.7 | -174.5 | -93.9 | 0 | 0 | 0 | 113.1 | T786 K872 I873 A874 | T786-Y876 HydrophobicContact CG2-CD1 3.41Å; T786-Y876 VanDerWaalsContact CG2-CD1 3.41Å; T786-Y876 HydrophobicContact CG2-CD2 4.41Å; T786-Y876 HydrophobicContact CG2-CE1 4.07Å; T786-Y876 HydrophobicContact CG2-CG 3.61Å; K872-Y876 WeakPolarHBondContact O-CB 3.29Å; K872-Y876 PolarHBondContact O-N 2.87Å; I873-Y876 PolarHBondContact O-N 3.22Å; A874-Y876 PolarHBondContact O-N 2.93Å |
| 877 | Y | 84.6 | Confident | 82 | Confident | 20 Ų | 20 | 50.6 Ų | 50.6 | 8% | 0.078 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -85.2 | -29.3 | -176.3 | -74.4 | -70.7 | 0 | 0 | 0 | 113.9 | T786 L789 K790 I873 D879 N880 V884 | T786-Y877 HydrophobicContact CG2-CD2 4.29Å; T786-Y877 HydrophobicContact CG2-CE2 3.65Å; T786-Y877 PolarHBondContact O-OH 3.01Å; L789-Y877 HydrophobicContact CB-CE2 4.44Å; L789-Y877 HydrophobicContact CD1-CE2 4.48Å; K790-Y877 WeakPolarHBondContact CB-OH 3.47Å; K790-Y877 PolarHBondContact N-OH 3.33Å; K790-Y877 VanDerWaalsContact N-OH 3.16Å; I873-Y877 HydrophobicContact CG2-CD2 3.98Å; I873-Y877 HydrophobicContact CG2-CE2 4.4Å; I873-Y877 WeakPolarHBondContact O-CD2 3.37Å; I873-Y877 PolarHBondContact O-N 3.18Å; I873-Y877 VanDerWaalsContact O-N 3.08Å; Y877-D879 PolarHBondContact O-N 3.1Å; Y877-N880 WeakPolarHBondContact O-CA 3.26Å; Y877-N880 WeakPolarHBondContact O-CB 3.43Å; Y877-N880 PolarHBondContact O-N 2.95Å; Y877-V884 HydrophobicContact CD1-CB 4.48Å; Y877-V884 HydrophobicContact CD1-CG2 3.78Å; Y877-V884 HydrophobicContact CE1-CB 4.42Å; Y877-V884 HydrophobicContact CE1-CG1 4.31Å; Y877-V884 HydrophobicContact CE1-CG2 3.65Å; Y877-V884 HydrophobicContact CE2-CG1 4.12Å; Y877-V884 HydrophobicContact CG-CG2 4.41Å |
| 878 | Q | 82.2 | Confident | 81.7 | Confident | 65 Ų | 65 | 50.6 Ų | 50.6 | 30% | 0.304 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | 41.6 | -109.5 | 179.6 | -55.3 | -170.7 | 0.5 | 0 | 0 | 112.4 | A874 G875 N880 L881 I922 | A874-Q878 WeakPolarHBondContact O-CA 3.41Å; A874-Q878 PolarHBondContact O-N 3.03Å; G875-Q878 WeakPolarHBondContact O-CG 3.48Å; G875-Q878 PolarHBondContact O-NE2 2.69Å; Q878-N880 VanDerWaalsContact C-N 3.31Å; Q878-N880 PolarHBondContact O-N 3.41Å; Q878-L881 VanDerWaalsContact O-CB 3.29Å; Q878-L881 WeakPolarHBondContact O-CB 3.44Å; Q878-L881 PolarHBondContact O-N 2.93Å; Q878-I922 HydrophobicContact CB-CD1 3.85Å |
| 879 | D | 75.4 | Confident | 81.3 | Confident | 121 Ų | 121 | 46.4 Ų | 46.4 | 65% | 0.647 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -64.6 | -28.7 | -179.6 | -66.4 | -35.3 | 0 | 0 | 0 | 114.3 | Y877 L881 | Y877-D879 PolarHBondContact O-N 3.1Å; D879-L881 VanDerWaalsContact C-N 3.25Å; D879-L881 PolarHBondContact O-N 3.27Å |
| 880 | N | 80.3 | Confident | 81 | Confident | 109 Ų | 109 | 49.7 Ų | 49.7 | 58% | 0.583 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -82.7 | 2.8 | 179.3 | -70.2 | -38.3 | 0 | 0 | 0 | 113.2 | Y877 Q878 R882 S883 | Y877-N880 WeakPolarHBondContact O-CA 3.26Å; Y877-N880 WeakPolarHBondContact O-CB 3.43Å; Y877-N880 PolarHBondContact O-N 2.95Å; Q878-N880 VanDerWaalsContact C-N 3.31Å; Q878-N880 PolarHBondContact O-N 3.41Å; N880-R882 PolarHBondContact O-N 2.78Å; N880-R882 VanDerWaalsContact O-N 3.11Å; N880-S883 PolarHBondContact O-N 2.93Å; N880-S883 PolarHBondContact O-OG 3.35Å |
| 881 | L | 80.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.2 | -29.4 | -177.8 | -172.4 | 65.5 | 0 | 0 | 0 | 112.7 | I873 Q878 D879 S883 V884 M885 M888 A889 L892 F893 | I873-L881 HydrophobicContact CG2-CD1 4.18Å; Q878-L881 VanDerWaalsContact O-CB 3.29Å; Q878-L881 WeakPolarHBondContact O-CB 3.44Å; Q878-L881 PolarHBondContact O-N 2.93Å; D879-L881 VanDerWaalsContact C-N 3.25Å; D879-L881 PolarHBondContact O-N 3.27Å; L881-S883 PolarHBondContact O-N 3.4Å; L881-V884 PolarHBondContact O-N 2.93Å; L881-M885 HydrophobicContact CD1-CB 4.28Å; L881-M885 CarbonylContact O-C 3.57Å; L881-M885 PolarHBondContact O-N 3.36Å; L881-M888 HydrophobicContact CD1-SD 4.32Å; L881-M888 HydrophobicContact CD2-CG 4.14Å; L881-M888 HydrophobicContact CD2-SD 4.36Å; L881-A889 HydrophobicContact CB-CB 4.41Å; L881-A889 HydrophobicContact CD2-CB 4.47Å; L881-A889 HydrophobicContact CG-CB 4.2Å; L881-L892 HydrophobicContact CD2-CD1 3.68Å; L881-F893 HydrophobicContact CB-CE2 4.28Å; L881-F893 HydrophobicContact CD2-CE2 4.23Å |
| 882 | R | 79.1 | Confident | 80 | Confident | 145 Ų | 145 | 49.9 Ų | 49.9 | 55% | 0.547 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.8 | -31.8 | -179 | -166.3 | 169.5 | -135 | 179.6 | 6.3 | 114.1 | N880 A889 D890 C894 | N880-R882 PolarHBondContact O-N 2.78Å; N880-R882 VanDerWaalsContact O-N 3.11Å; R882-A889 HydrophobicContact CB-CB 3.76Å; R882-A889 HydrophobicContact CG-CB 4.09Å; R882-D890 IonicContact CZ-OD1 3.89Å; R882-D890 IonicContact NE-OD1 3.61Å; R882-D890 IonicContact NH2-OD1 2.83Å; R882-D890 PolarHBondContact NH2-OD1 3.3Å; R882-C894 PolarHBondContact NH2-SG 2.79Å |
| 883 | S | 78 | Confident | 79.7 | Confident | 94 Ų | 94 | 48 Ų | 48 | 66% | 0.657 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -75.7 | -31 | 177.3 | 61.2 | 0 | 0 | 0 | 0 | 111.7 | N880 L881 | N880-S883 PolarHBondContact O-N 2.93Å; N880-S883 PolarHBondContact O-OG 3.35Å; L881-S883 PolarHBondContact O-N 3.4Å |
| 884 | V | 77.6 | Confident | 79.2 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -93.5 | -44.9 | -172.6 | -175.4 | 0 | 0 | 0 | 0 | 112.4 | L789 N800 Y877 L881 | L789-V884 HydrophobicContact CB-CG1 3.64Å; L789-V884 HydrophobicContact CD1-CG1 4.39Å; L789-V884 HydrophobicContact CG-CG1 4.45Å; N800-V884 WeakPolarHBondContact CB-O 3.23Å; N800-V884 PolarHBondContact ND2-O 2.95Å; Y877-V884 HydrophobicContact CD1-CB 4.48Å; Y877-V884 HydrophobicContact CD1-CG2 3.78Å; Y877-V884 HydrophobicContact CE1-CB 4.42Å; Y877-V884 HydrophobicContact CE1-CG1 4.31Å; Y877-V884 HydrophobicContact CE1-CG2 3.65Å; Y877-V884 HydrophobicContact CE2-CG1 4.12Å; Y877-V884 HydrophobicContact CG-CG2 4.41Å; L881-V884 PolarHBondContact O-N 2.93Å |
| 885 | M | 80.9 | Confident | 78.4 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | trans | -134.8 | 79.2 | -179.5 | -78.1 | -177.2 | 49.9 | 0 | 0 | 110.5 | L789 I873 L881 F887 M888 A889 | L789-M885 HydrophobicContact CD1-CG 4.29Å; L789-M885 HydrophobicContact CD1-SD 3.56Å; L789-M885 VanDerWaalsContact CD1-SD 3.56Å; L789-M885 HydrophobicContact CD2-CG 4.35Å; L789-M885 HydrophobicContact CD2-SD 4.25Å; I873-M885 HydrophobicContact CG2-SD 4.08Å; L881-M885 HydrophobicContact CD1-CB 4.28Å; L881-M885 CarbonylContact O-C 3.57Å; L881-M885 PolarHBondContact O-N 3.36Å; M885-F887 PolarHBondContact O-N 3.15Å; M885-M888 HydrophobicContact CB-CB 4.1Å; M885-M888 HydrophobicContact CE-CB 3.66Å; M885-M888 HydrophobicContact CE-CG 4.24Å; M885-M888 HydrophobicContact CE-SD 3.58Å; M885-M888 VanDerWaalsContact CE-SD 3.58Å; M885-M888 PolarHBondContact O-N 3.21Å; M885-M888 VanDerWaalsContact O-N 3.1Å; M885-A889 PolarHBondContact O-N 3.13Å | ||
| 886 | P | 77.8 | Confident | 77.5 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 39% | 0.39 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -53.3 | -42.2 | -175.8 | -24.5 | 31.9 | 0 | 0 | 0 | 112.7 | M888 A889 D890 | P886-M888 PolarHBondContact O-N 2.8Å; P886-A889 PolarHBondContact O-N 2.96Å; P886-D890 WeakPolarHBondContact O-CB 3.22Å; P886-D890 VanDerWaalsContact O-CG 3.22Å; P886-D890 PolarHBondContact O-N 2.75Å |
| 887 | F | 76.5 | Confident | 76.5 | Confident | 79 Ų | 79 | 56.7 Ų | 56.7 | 35% | 0.346 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | -179.2 | -173.6 | -108.4 | 0 | 0 | 0 | 113.5 | D801 R805 L808 M885 D890 I891 | D801-F887 VanDerWaalsContact OD1-CB 3.29Å; D801-F887 WeakPolarHBondContact OD1-CB 3.43Å; R805-F887 HydrophobicContact CG-CD1 4.02Å; R805-F887 HydrophobicContact CG-CE1 4.25Å; R805-F887 HydrophobicContact CG-CG 4.47Å; L808-F887 HydrophobicContact CD1-CD1 3.54Å; L808-F887 HydrophobicContact CD1-CE1 3.54Å; M885-F887 PolarHBondContact O-N 3.15Å; F887-D890 PolarHBondContact O-N 3.11Å; F887-I891 HydrophobicContact CD1-CD1 3.95Å; F887-I891 HydrophobicContact CE1-CD1 3.66Å; F887-I891 HydrophobicContact CZ-CD1 4.15Å; F887-I891 VanDerWaalsContact O-CG1 3.31Å; F887-I891 WeakPolarHBondContact O-CG1 3.46Å; F887-I891 PolarHBondContact O-N 2.79Å; F887-I891 VanDerWaalsContact O-N 3.09Å |
| 888 | M | 79.3 | Confident | 75.1 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -74.4 | -37.1 | 177.3 | -172.8 | -179.5 | -178.3 | 0 | 0 | 111.6 | L870 A874 L881 M885 P886 D890 I891 L892 T914 | L870-M888 HydrophobicContact CB-CE 3.96Å; L870-M888 HydrophobicContact CD2-CE 3.77Å; L870-M888 HydrophobicContact CD2-SD 3.74Å; L870-M888 HydrophobicContact CG-CE 4.41Å; A874-M888 HydrophobicContact CB-CE 3.98Å; L881-M888 HydrophobicContact CD1-SD 4.32Å; L881-M888 HydrophobicContact CD2-CG 4.14Å; L881-M888 HydrophobicContact CD2-SD 4.36Å; M885-M888 HydrophobicContact CB-CB 4.1Å; M885-M888 HydrophobicContact CE-CB 3.66Å; M885-M888 HydrophobicContact CE-CG 4.24Å; M885-M888 HydrophobicContact CE-SD 3.58Å; M885-M888 VanDerWaalsContact CE-SD 3.58Å; M885-M888 PolarHBondContact O-N 3.21Å; M885-M888 VanDerWaalsContact O-N 3.1Å; P886-M888 PolarHBondContact O-N 2.8Å; M888-D890 VanDerWaalsContact C-N 3.3Å; M888-D890 PolarHBondContact O-N 3.27Å; M888-I891 WeakPolarHBondContact O-CB 3.42Å; M888-I891 PolarHBondContact O-N 3.43Å; M888-I891 VanDerWaalsContact O-N 3.16Å; M888-L892 HydrophobicContact CE-CD1 4.27Å; M888-L892 HydrophobicContact CG-CD1 4.38Å; M888-L892 PolarHBondContact O-N 2.9Å; M888-T914 HydrophobicContact CE-CG2 3.55Å |
| 889 | A | 76.3 | Confident | 73.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L881 R882 M885 P886 I891 L892 F893 | L881-A889 HydrophobicContact CB-CB 4.41Å; L881-A889 HydrophobicContact CD2-CB 4.47Å; L881-A889 HydrophobicContact CG-CB 4.2Å; R882-A889 HydrophobicContact CB-CB 3.76Å; R882-A889 HydrophobicContact CG-CB 4.09Å; M885-A889 PolarHBondContact O-N 3.13Å; P886-A889 PolarHBondContact O-N 2.96Å; A889-I891 VanDerWaalsContact C-N 3.31Å; A889-I891 PolarHBondContact O-N 3.13Å; A889-L892 PolarHBondContact O-N 2.67Å; A889-F893 HydrophobicContact CB-CD2 4.05Å; A889-F893 HydrophobicContact CB-CE2 4.49Å; A889-F893 VanDerWaalsContact O-CB 3.3Å; A889-F893 WeakPolarHBondContact O-CB 3.18Å; A889-F893 WeakPolarHBondContact O-CD2 3.4Å; A889-F893 PolarHBondContact O-N 3.48Å |
| 890 | D | 79 | Confident | 72.6 | Confident | 68 Ų | 68 | 60.8 Ų | 60.8 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.9 | -32.7 | 173.9 | -72.2 | -23.4 | 0 | 0 | 0 | 111.8 | R882 P886 F887 M888 C894 | R882-D890 IonicContact CZ-OD1 3.89Å; R882-D890 IonicContact NE-OD1 3.61Å; R882-D890 IonicContact NH2-OD1 2.83Å; R882-D890 PolarHBondContact NH2-OD1 3.3Å; P886-D890 WeakPolarHBondContact O-CB 3.22Å; P886-D890 VanDerWaalsContact O-CG 3.22Å; P886-D890 PolarHBondContact O-N 2.75Å; F887-D890 PolarHBondContact O-N 3.11Å; M888-D890 VanDerWaalsContact C-N 3.3Å; M888-D890 PolarHBondContact O-N 3.27Å; D890-C894 VanDerWaalsContact O-CB 3.23Å; D890-C894 WeakPolarHBondContact O-CB 3.29Å; D890-C894 PolarHBondContact O-N 3.49Å; D890-C894 PolarHBondContact OD1-SG 2.82Å |
| 891 | I | 75.6 | Confident | 71.5 | Confident | 13 Ų | 13 | 57.7 Ų | 57.7 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 173.5 | -72.3 | 169 | 0 | 0 | 0 | 112.1 | L808 F887 M888 A889 V907 A910 H930 | L808-I891 HydrophobicContact CD1-CD1 3.59Å; L808-I891 HydrophobicContact CD2-CD1 4.24Å; F887-I891 HydrophobicContact CD1-CD1 3.95Å; F887-I891 HydrophobicContact CE1-CD1 3.66Å; F887-I891 HydrophobicContact CZ-CD1 4.15Å; F887-I891 VanDerWaalsContact O-CG1 3.31Å; F887-I891 WeakPolarHBondContact O-CG1 3.46Å; F887-I891 PolarHBondContact O-N 2.79Å; F887-I891 VanDerWaalsContact O-N 3.09Å; M888-I891 WeakPolarHBondContact O-CB 3.42Å; M888-I891 PolarHBondContact O-N 3.43Å; M888-I891 VanDerWaalsContact O-N 3.16Å; A889-I891 VanDerWaalsContact C-N 3.31Å; A889-I891 PolarHBondContact O-N 3.13Å; I891-V907 HydrophobicContact CG1-CG2 4.13Å; I891-V907 HydrophobicContact CG2-CB 4.17Å; I891-V907 HydrophobicContact CG2-CG1 3.79Å; I891-V907 HydrophobicContact CG2-CG2 3.98Å; I891-A910 HydrophobicContact CG2-CB 4.36Å; I891-H930 PolarHBondContact O-CE1 2.69Å |
| 892 | L | 75.5 | Confident | 70.5 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -87.6 | -31.7 | -174.6 | -66.3 | 176.4 | 0 | 0 | 0 | 114.3 | L881 M888 A889 I911 T914 M929 H930 | L881-L892 HydrophobicContact CD2-CD1 3.68Å; M888-L892 HydrophobicContact CE-CD1 4.27Å; M888-L892 HydrophobicContact CG-CD1 4.38Å; M888-L892 PolarHBondContact O-N 2.9Å; A889-L892 PolarHBondContact O-N 2.67Å; L892-I911 HydrophobicContact CD2-CG1 3.99Å; L892-T914 WeakPolarHBondContact CD2-OG1 3.2Å; L892-M929 VanDerWaalsContact O-CE 3.23Å; L892-M929 WeakPolarHBondContact O-CE 3.34Å; L892-H930 PolarHBondContact O-NE2 2.94Å; L892-H930 VanDerWaalsContact O-NE2 3.15Å |
| 893 | F | 79.3 | Confident | 69.8 | Low | 49 Ų | 49 | 60.9 Ų | 60.9 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -115.9 | -12.4 | -170.2 | -57.8 | -62.3 | 0 | 0 | 0 | 114.6 | L881 A889 I922 I926 | L881-F893 HydrophobicContact CB-CE2 4.28Å; L881-F893 HydrophobicContact CD2-CE2 4.23Å; A889-F893 HydrophobicContact CB-CD2 4.05Å; A889-F893 HydrophobicContact CB-CE2 4.49Å; A889-F893 VanDerWaalsContact O-CB 3.3Å; A889-F893 WeakPolarHBondContact O-CB 3.18Å; A889-F893 WeakPolarHBondContact O-CD2 3.4Å; A889-F893 PolarHBondContact O-N 3.48Å; F893-I922 HydrophobicContact CE1-CG2 3.91Å; F893-I922 HydrophobicContact CZ-CG2 4.41Å; F893-I926 HydrophobicContact CE1-CD1 4.3Å |
| 894 | C | 75.7 | Confident | 69.3 | Low | 35 Ų | 35 | 57.5 Ų | 57.5 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -103.6 | 146 | 175.2 | -67.2 | 0 | 0 | 0 | 0 | 111.4 | R882 D890 L896 | R882-C894 PolarHBondContact NH2-SG 2.79Å; D890-C894 VanDerWaalsContact O-CB 3.23Å; D890-C894 WeakPolarHBondContact O-CB 3.29Å; D890-C894 PolarHBondContact O-N 3.49Å; D890-C894 PolarHBondContact OD1-SG 2.82Å; C894-L896 PolarHBondContact O-N 2.88Å |
| 895 | P | 65.6 | Low | 68.9 | Low | 91 Ų | 91 | 58 Ų | 58 | 59% | 0.591 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 131.1 | 172.2 | 25.5 | -31.3 | 0 | 0 | 0 | 110.6 | K897 Q933 | P895-K897 PolarHBondContact O-N 2.76Å; P895-Q933 VanDerWaalsContact CA-NE2 3.26Å |
| 896 | L | 65.5 | Low | 68.4 | Low | 52 Ų | 52 | 59.2 Ų | 59.2 | 27% | 0.272 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 126.9 | 177.2 | -75 | 170.6 | 0 | 0 | 0 | 110.5 | C894 V907 Q933 | C894-L896 PolarHBondContact O-N 2.88Å; L896-V907 HydrophobicContact CD1-CB 4.11Å; L896-V907 HydrophobicContact CD1-CG1 3.64Å; L896-V907 HydrophobicContact CD1-CG2 4.45Å; L896-V907 HydrophobicContact CD2-CB 4.09Å; L896-V907 HydrophobicContact CD2-CG1 3.9Å; L896-V907 HydrophobicContact CD2-CG2 3.53Å; L896-V907 HydrophobicContact CG-CG1 4.07Å; L896-Q933 VanDerWaalsContact CD1-OE1 3.31Å; L896-Q933 VanDerWaalsContact N-NE2 3.13Å |
| 897 | K | 62.7 | Low | 68.3 | Low | 169 Ų | 169 | 56.7 Ų | 56.7 | 74% | 0.735 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 142.6 | 163.9 | -71.5 | -179.5 | 179.6 | 175.9 | 0 | 108.4 | P895 C899 | P895-K897 PolarHBondContact O-N 2.76Å; K897-C899 VanDerWaalsContact C-N 3.26Å; K897-C899 PolarHBondContact O-N 3.07Å |
| 898 | P | 54 | Low | 68.3 | Low | 139 Ų | 139 | 53 Ų | 53 | 90% | 0.903 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -63.5 | 90.9 | 173.8 | 26.2 | -32.5 | 0 | 0 | 0 | 109 | ||
| 899 | C | 48.1 | Very low | 68.1 | Low | 81 Ų | 81 | 54 Ų | 54 | 55% | 0.547 | 31% | 0.309 | S | S | . | . | trans | -111.7 | 175.7 | -178.4 | -84.7 | 0 | 0 | 0 | 0 | 109.9 | K897 P903 | K897-C899 VanDerWaalsContact C-N 3.26Å; K897-C899 PolarHBondContact O-N 3.07Å; C899-P903 HydrophobicContact CB-CG 4.23Å | ||
| 900 | S | 56.9 | Low | 68.2 | Low | 71 Ų | 71 | 54.1 Ų | 54.1 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | trans | -48.5 | 155 | 176.4 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | E902 P903 T904 | S900-E902 VanDerWaalsContact C-N 3.31Å; S900-E902 PolarHBondContact O-N 3.03Å; S900-P903 WeakPolarHBondContact O-CD 3.28Å; S900-P903 WeakPolarHBondContact O-CG 3.45Å; S900-P903 VanDerWaalsContact OG-CD 3.24Å; S900-P903 WeakPolarHBondContact OG-CD 3.29Å; S900-P903 WeakPolarHBondContact OG-CG 3.36Å; S900-T904 PolarHBondContact O-OG1 3.43Å | ||
| 901 | P | 58.6 | Low | 68.3 | Low | 44 Ų | 44 | 50.9 Ų | 50.9 | 29% | 0.286 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.6 | -28.3 | -172.1 | 20 | -30.3 | 0 | 0 | 0 | 114.4 | T904 A905 K942 V945 | P901-T904 PolarHBondContact O-N 3Å; P901-A905 PolarHBondContact O-N 3.35Å; P901-A905 VanDerWaalsContact O-N 3.15Å; P901-K942 HydrophobicContact CB-CD 3.65Å; P901-K942 HydrophobicContact CG-CD 3.62Å; P901-K942 VanDerWaalsContact CG-CE 3.5Å; P901-V945 HydrophobicContact CB-CG2 3.84Å |
| 902 | E | 58.6 | Low | 68.5 | Low | 157 Ų | 157 | 50.9 Ų | 50.9 | 73% | 0.734 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.3 | -53.2 | 178.8 | -69.5 | 179.5 | 172.6 | 0 | 0 | 113.2 | S900 T904 A905 V906 | S900-E902 VanDerWaalsContact C-N 3.31Å; S900-E902 PolarHBondContact O-N 3.03Å; E902-T904 PolarHBondContact O-N 2.99Å; E902-A905 WeakPolarHBondContact O-CB 3.34Å; E902-A905 PolarHBondContact O-N 2.83Å; E902-V906 PolarHBondContact O-N 2.83Å |
| 903 | P | 63.7 | Low | 68.8 | Low | 56 Ų | 56 | 52.7 Ų | 52.7 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.4 | -29.6 | 177.1 | 19.1 | -30.3 | 0 | 0 | 0 | 112.9 | C899 S900 V906 V907 | C899-P903 HydrophobicContact CB-CG 4.23Å; S900-P903 WeakPolarHBondContact O-CD 3.28Å; S900-P903 WeakPolarHBondContact O-CG 3.45Å; S900-P903 VanDerWaalsContact OG-CD 3.24Å; S900-P903 WeakPolarHBondContact OG-CD 3.29Å; S900-P903 WeakPolarHBondContact OG-CG 3.36Å; P903-V906 PolarHBondContact O-N 2.86Å; P903-V907 WeakPolarHBondContact O-CG2 3.35Å; P903-V907 PolarHBondContact O-N 2.89Å; P903-V907 VanDerWaalsContact O-N 3.17Å |
| 904 | T | 68.5 | Low | 68.9 | Low | 24 Ų | 24 | 50.4 Ų | 50.4 | 15% | 0.147 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 177.2 | -51.8 | 0 | 0 | 0 | 0 | 111.8 | S900 P901 E902 V907 F908 V945 | S900-T904 PolarHBondContact O-OG1 3.43Å; P901-T904 PolarHBondContact O-N 3Å; E902-T904 PolarHBondContact O-N 2.99Å; T904-V907 PolarHBondContact O-N 3.37Å; T904-F908 HydrophobicContact CG2-CD2 4.05Å; T904-F908 HydrophobicContact CG2-CE2 3.44Å; T904-F908 VanDerWaalsContact CG2-CE2 3.44Å; T904-F908 HydrophobicContact CG2-CZ 3.95Å; T904-F908 WeakPolarHBondContact O-CD2 3.23Å; T904-F908 PolarHBondContact O-N 2.98Å; T904-V945 HydrophobicContact CG2-CG1 4.26Å |
| 905 | A | 68.5 | Low | 69.2 | Low | 22 Ų | 22 | 48.8 Ų | 48.8 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P901 E902 V907 F908 H909 L948 | P901-A905 PolarHBondContact O-N 3.35Å; P901-A905 VanDerWaalsContact O-N 3.15Å; E902-A905 WeakPolarHBondContact O-CB 3.34Å; E902-A905 PolarHBondContact O-N 2.83Å; A905-V907 VanDerWaalsContact C-N 3.28Å; A905-V907 PolarHBondContact O-N 3Å; A905-F908 PolarHBondContact O-N 3.47Å; A905-H909 PolarHBondContact O-N 3.33Å; A905-L948 HydrophobicContact CB-CD1 3.41Å; A905-L948 VanDerWaalsContact CB-CD1 3.41Å |
| 906 | V | 70.9 | Confident | 70 | Confident | 29 Ų | 29 | 47.4 Ų | 47.4 | 18% | 0.176 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 177.8 | -178.1 | 0 | 0 | 0 | 0 | 111 | L808 E902 P903 H909 A910 | L808-V906 HydrophobicContact CB-CG1 4.16Å; L808-V906 HydrophobicContact CD2-CG1 4.16Å; E902-V906 PolarHBondContact O-N 2.83Å; P903-V906 PolarHBondContact O-N 2.86Å; V906-H909 PolarHBondContact O-N 3.49Å; V906-A910 VanDerWaalsContact O-CB 3.28Å; V906-A910 WeakPolarHBondContact O-CB 3.3Å; V906-A910 PolarHBondContact O-N 3.25Å |
| 907 | V | 75.4 | Confident | 70.6 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.1 | -49.8 | 180 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | I891 L896 P903 T904 A905 H909 A910 I911 | I891-V907 HydrophobicContact CG1-CG2 4.13Å; I891-V907 HydrophobicContact CG2-CB 4.17Å; I891-V907 HydrophobicContact CG2-CG1 3.79Å; I891-V907 HydrophobicContact CG2-CG2 3.98Å; L896-V907 HydrophobicContact CD1-CB 4.11Å; L896-V907 HydrophobicContact CD1-CG1 3.64Å; L896-V907 HydrophobicContact CD1-CG2 4.45Å; L896-V907 HydrophobicContact CD2-CB 4.09Å; L896-V907 HydrophobicContact CD2-CG1 3.9Å; L896-V907 HydrophobicContact CD2-CG2 3.53Å; L896-V907 HydrophobicContact CG-CG1 4.07Å; P903-V907 WeakPolarHBondContact O-CG2 3.35Å; P903-V907 PolarHBondContact O-N 2.89Å; P903-V907 VanDerWaalsContact O-N 3.17Å; T904-V907 PolarHBondContact O-N 3.37Å; A905-V907 VanDerWaalsContact C-N 3.28Å; A905-V907 PolarHBondContact O-N 3Å; V907-H909 VanDerWaalsContact C-N 3.29Å; V907-H909 PolarHBondContact O-N 3.42Å; V907-A910 PolarHBondContact O-N 3.38Å; V907-I911 HydrophobicContact CG1-CD1 3.54Å; V907-I911 HydrophobicContact CG1-CG1 4.3Å; V907-I911 WeakPolarHBondContact O-CD1 3.44Å; V907-I911 VanDerWaalsContact O-CG1 3.29Å; V907-I911 WeakPolarHBondContact O-CG1 3.45Å; V907-I911 PolarHBondContact O-N 3.44Å |
| 908 | F | 77.6 | Confident | 71.6 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -36.6 | -179.5 | -68.2 | -42.6 | 0 | 0 | 0 | 112.7 | T904 A905 I911 S912 C934 A937 V945 L948 A949 C952 | T904-F908 HydrophobicContact CG2-CD2 4.05Å; T904-F908 HydrophobicContact CG2-CE2 3.44Å; T904-F908 VanDerWaalsContact CG2-CE2 3.44Å; T904-F908 HydrophobicContact CG2-CZ 3.95Å; T904-F908 WeakPolarHBondContact O-CD2 3.23Å; T904-F908 PolarHBondContact O-N 2.98Å; A905-F908 PolarHBondContact O-N 3.47Å; F908-I911 HydrophobicContact CD1-CD1 4.48Å; F908-S912 WeakPolarHBondContact O-CB 3.46Å; F908-S912 PolarHBondContact O-N 2.99Å; F908-S912 PolarHBondContact O-OG 3.42Å; F908-C934 WeakPolarHBondContact CE1-SG 3.44Å; F908-A937 HydrophobicContact CE2-CB 3.45Å; F908-A937 VanDerWaalsContact CE2-CB 3.45Å; F908-A937 HydrophobicContact CZ-CB 3.54Å; F908-V945 HydrophobicContact CE2-CG1 4.4Å; F908-L948 HydrophobicContact CB-CB 4.34Å; F908-A949 HydrophobicContact CD2-CB 4.24Å; F908-A949 HydrophobicContact CE2-CB 4.02Å; F908-A949 HydrophobicContact CZ-CB 4.45Å; F908-C952 HydrophobicContact CB-CB 4.33Å |
| 909 | H | 75.3 | Confident | 73 | Confident | 25 Ų | 25 | 36.9 Ų | 36.9 | 12% | 0.116 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.9 | -42.5 | 175.4 | -163.8 | 34 | 0 | 0 | 0 | 111.3 | L811 S863 A905 V906 V907 I911 S912 V913 | L811-H909 VanDerWaalsContact CD1-CD2 3.48Å; L811-H909 WeakPolarHBondContact CD1-CD2 3.48Å; L811-H909 WeakPolarHBondContact CD1-NE2 3.37Å; L811-H909 HydrophobicContact CD2-CB 4.38Å; L811-H909 WeakPolarHBondContact CG-CD2 3.4Å; L811-H909 PolarHBondContact O-CD2 3.04Å; L811-H909 VanDerWaalsContact O-CD2 3.27Å; S863-H909 PolarHBondContact OG-NE2 3.43Å; A905-H909 PolarHBondContact O-N 3.33Å; V906-H909 PolarHBondContact O-N 3.49Å; V907-H909 VanDerWaalsContact C-N 3.29Å; V907-H909 PolarHBondContact O-N 3.42Å; H909-I911 PolarHBondContact O-N 3.11Å; H909-S912 WeakPolarHBondContact O-CB 3.12Å; H909-S912 PolarHBondContact O-N 2.85Å; H909-V913 WeakPolarHBondContact O-CG2 3.29Å; H909-V913 PolarHBondContact O-N 3.28Å; H909-V913 VanDerWaalsContact O-N 3.08Å |
| 910 | A | 78.5 | Confident | 74.4 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L808 L811 I891 V906 V907 V913 T914 | L808-A910 HydrophobicContact CD2-CB 3.8Å; L811-A910 VanDerWaalsContact CD2-CA 3.48Å; L811-A910 HydrophobicContact CD2-CB 3.82Å; I891-A910 HydrophobicContact CG2-CB 4.36Å; V906-A910 VanDerWaalsContact O-CB 3.28Å; V906-A910 WeakPolarHBondContact O-CB 3.3Å; V906-A910 PolarHBondContact O-N 3.25Å; V907-A910 PolarHBondContact O-N 3.38Å; A910-V913 PolarHBondContact O-N 3.04Å; A910-T914 WeakPolarHBondContact O-CB 3.48Å; A910-T914 VanDerWaalsContact O-CG2 3.31Å; A910-T914 WeakPolarHBondContact O-CG2 3.45Å; A910-T914 PolarHBondContact O-N 3.45Å; A910-T914 PolarHBondContact O-OG1 3.28Å |
| 911 | I | 80.6 | Confident | 75.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -47.7 | 174.9 | -65.7 | 159.2 | 0 | 0 | 0 | 110.1 | L892 V907 F908 H909 V913 T914 Y915 I926 H930 | L892-I911 HydrophobicContact CD2-CG1 3.99Å; V907-I911 HydrophobicContact CG1-CD1 3.54Å; V907-I911 HydrophobicContact CG1-CG1 4.3Å; V907-I911 WeakPolarHBondContact O-CD1 3.44Å; V907-I911 VanDerWaalsContact O-CG1 3.29Å; V907-I911 WeakPolarHBondContact O-CG1 3.45Å; V907-I911 PolarHBondContact O-N 3.44Å; F908-I911 HydrophobicContact CD1-CD1 4.48Å; H909-I911 PolarHBondContact O-N 3.11Å; I911-V913 PolarHBondContact O-N 3.47Å; I911-T914 PolarHBondContact O-N 3.32Å; I911-T914 PolarHBondContact O-OG1 3.34Å; I911-Y915 VanDerWaalsContact O-CB 3.23Å; I911-Y915 WeakPolarHBondContact O-CB 3.14Å; I911-Y915 PolarHBondContact O-N 2.89Å; I911-I926 HydrophobicContact CG2-CG2 4.36Å; I911-H930 HydrophobicContact CD1-CB 4.38Å; I911-H930 WeakPolarHBondContact CD1-CE1 3.49Å; I911-H930 WeakPolarHBondContact CD1-ND1 3.41Å |
| 912 | S | 80.2 | Confident | 76.5 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.1 | -35.9 | -178.2 | -60.5 | 0 | 0 | 0 | 0 | 112.5 | F908 H909 C952 V955 | F908-S912 WeakPolarHBondContact O-CB 3.46Å; F908-S912 PolarHBondContact O-N 2.99Å; F908-S912 PolarHBondContact O-OG 3.42Å; H909-S912 WeakPolarHBondContact O-CB 3.12Å; H909-S912 PolarHBondContact O-N 2.85Å; S912-C952 VanDerWaalsContact OG-CA 3.3Å; S912-C952 WeakPolarHBondContact OG-CA 3.42Å; S912-C952 WeakPolarHBondContact OG-CB 3.35Å; S912-V955 WeakPolarHBondContact O-CG1 3.31Å |
| 913 | V | 80.9 | Confident | 77.6 | Confident | 40 Ų | 40 | 33.6 Ų | 33.6 | 24% | 0.242 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -84.9 | -34.1 | -179.7 | -176.1 | 0 | 0 | 0 | 0 | 113.1 | L811 G867 A871 H909 A910 I911 | L811-V913 HydrophobicContact CD1-CG2 4.23Å; G867-V913 WeakPolarHBondContact O-CG1 3.32Å; A871-V913 HydrophobicContact CB-CG1 4.34Å; H909-V913 WeakPolarHBondContact O-CG2 3.29Å; H909-V913 PolarHBondContact O-N 3.28Å; H909-V913 VanDerWaalsContact O-N 3.08Å; A910-V913 PolarHBondContact O-N 3.04Å; I911-V913 PolarHBondContact O-N 3.47Å |
| 914 | T | 80.9 | Confident | 78.5 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -84.1 | -29.8 | -176.2 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | L870 A874 M888 L892 A910 I911 P916 S917 | L870-T914 HydrophobicContact CB-CG2 4.2Å; A874-T914 HydrophobicContact CB-CG2 3.93Å; M888-T914 HydrophobicContact CE-CG2 3.55Å; L892-T914 WeakPolarHBondContact CD2-OG1 3.2Å; A910-T914 WeakPolarHBondContact O-CB 3.48Å; A910-T914 VanDerWaalsContact O-CG2 3.31Å; A910-T914 WeakPolarHBondContact O-CG2 3.45Å; A910-T914 PolarHBondContact O-N 3.45Å; A910-T914 PolarHBondContact O-OG1 3.28Å; I911-T914 PolarHBondContact O-N 3.32Å; I911-T914 PolarHBondContact O-OG1 3.34Å; T914-P916 VanDerWaalsContact C-CD 3.46Å; T914-S917 PolarHBondContact O-N 2.98Å; T914-S917 VanDerWaalsContact O-N 3.12Å |
| 915 | Y | 82.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -52.4 | -43.6 | -173.9 | -170.8 | -95.9 | 0 | 0 | 0 | 115.3 | I911 S917 L918 R923 I926 L956 T959 | I911-Y915 VanDerWaalsContact O-CB 3.23Å; I911-Y915 WeakPolarHBondContact O-CB 3.14Å; I911-Y915 PolarHBondContact O-N 2.89Å; Y915-S917 PolarHBondContact O-N 3.35Å; Y915-L918 PolarHBondContact O-N 2.7Å; Y915-R923 HydrophobicContact CD1-CG 4.5Å; Y915-R923 HydrophobicContact CD2-CG 4.35Å; Y915-R923 HydrophobicContact CE1-CB 4.3Å; Y915-R923 HydrophobicContact CE1-CG 4.19Å; Y915-R923 HydrophobicContact CE2-CB 3.84Å; Y915-R923 HydrophobicContact CE2-CG 4.06Å; Y915-R923 WeakPolarHBondContact CE2-O 3.4Å; Y915-R923 VanDerWaalsContact O-CD 3.29Å; Y915-R923 WeakPolarHBondContact O-CD 3.5Å; Y915-R923 PolarHBondContact OH-O 2.91Å; Y915-I926 HydrophobicContact CD2-CG2 3.9Å; Y915-I926 HydrophobicContact CE2-CB 4.32Å; Y915-I926 HydrophobicContact CE2-CG2 4.07Å; Y915-L956 HydrophobicContact CD1-CD2 3.64Å; Y915-L956 HydrophobicContact CD2-CD2 3.36Å; Y915-L956 HydrophobicContact CE1-CD2 3.65Å; Y915-L956 HydrophobicContact CE2-CD2 3.36Å; Y915-L956 HydrophobicContact CG-CD2 3.49Å; Y915-L956 VanDerWaalsContact CG-CD2 3.49Å; Y915-T959 WeakPolarHBondContact CD1-OG1 3.43Å; Y915-T959 WeakPolarHBondContact CE1-OG1 3.24Å |
| 916 | P | 81.5 | Confident | 79.7 | Confident | 63 Ų | 63 | 44.7 Ų | 44.7 | 41% | 0.409 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -64.8 | -26 | -178.4 | -22.1 | 35.1 | 0 | 0 | 0 | 114.2 | T914 T959 | T914-P916 VanDerWaalsContact C-CD 3.46Å; P916-T959 HydrophobicContact CB-CG2 4.34Å |
| 917 | S | 80.1 | Confident | 80.3 | Confident | 56 Ų | 56 | 43.3 Ų | 43.3 | 39% | 0.392 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -89.1 | -1.1 | -176.3 | -57.6 | 0 | 0 | 0 | 0 | 114.1 | G875 T914 Y915 | G875-S917 WeakPolarHBondContact CA-O 3.27Å; T914-S917 PolarHBondContact O-N 2.98Å; T914-S917 VanDerWaalsContact O-N 3.12Å; Y915-S917 PolarHBondContact O-N 3.35Å |
| 918 | L | 82.6 | Confident | 80.7 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -91.6 | 152.2 | -179 | -62.1 | 173.3 | 0 | 0 | 0 | 111.5 | A874 Y915 I922 R923 I926 | A874-L918 HydrophobicContact CB-CD2 4.13Å; Y915-L918 PolarHBondContact O-N 2.7Å; L918-I922 HydrophobicContact CB-CG2 4.26Å; L918-I922 HydrophobicContact CD1-CG2 4.15Å; L918-R923 HydrophobicContact CB-CG 3.87Å; L918-R923 WeakPolarHBondContact O-CD 3.42Å; L918-I926 HydrophobicContact CD1-CD1 3.34Å |
| 919 | D | 82.6 | Confident | 80.9 | Confident | 73 Ų | 73 | 49.9 Ų | 49.9 | 39% | 0.39 | 25% | 0.245 | S | C | . | . | trans | -61.5 | 150.3 | 174 | -177.2 | 71.6 | 0 | 0 | 0 | 112.2 | Q921 I922 R923 | D919-Q921 VanDerWaalsContact C-N 3.28Å; D919-Q921 PolarHBondContact O-N 2.91Å; D919-Q921 PolarHBondContact OD2-N 2.92Å; D919-I922 HydrophobicContact CB-CD1 4.36Å; D919-I922 PolarHBondContact O-N 3.18Å; D919-I922 VanDerWaalsContact O-N 3.09Å; D919-R923 WeakPolarHBondContact O-CG 3.4Å; D919-R923 PolarHBondContact O-N 3.09Å | ||
| 920 | A | 78.3 | Confident | 81.3 | Confident | 50 Ų | 50 | 48.7 Ų | 48.7 | 41% | 0.413 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.8 | -37 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R924 | A920-R924 PolarHBondContact O-N 3.44Å |
| 921 | Q | 78 | Confident | 81.5 | Confident | 163 Ų | 163 | 48.8 Ų | 48.8 | 76% | 0.762 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -68.6 | -41 | 178.5 | -65.1 | -171.1 | -1.2 | 0 | 0 | 111.8 | D919 R925 | D919-Q921 VanDerWaalsContact C-N 3.28Å; D919-Q921 PolarHBondContact O-N 2.91Å; D919-Q921 PolarHBondContact OD2-N 2.92Å; Q921-R925 PolarHBondContact O-N 3.26Å |
| 922 | I | 81.1 | Confident | 81.6 | Confident | 16 Ų | 16 | 55.9 Ų | 55.9 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.7 | -43.2 | 178.4 | -64.7 | 173.6 | 0 | 0 | 0 | 110.2 | Q878 F893 L918 D919 R924 R925 I926 | Q878-I922 HydrophobicContact CB-CD1 3.85Å; F893-I922 HydrophobicContact CE1-CG2 3.91Å; F893-I922 HydrophobicContact CZ-CG2 4.41Å; L918-I922 HydrophobicContact CB-CG2 4.26Å; L918-I922 HydrophobicContact CD1-CG2 4.15Å; D919-I922 HydrophobicContact CB-CD1 4.36Å; D919-I922 PolarHBondContact O-N 3.18Å; D919-I922 VanDerWaalsContact O-N 3.09Å; I922-R924 VanDerWaalsContact C-N 3.33Å; I922-R924 PolarHBondContact O-N 3.34Å; I922-R925 PolarHBondContact O-N 2.69Å; I922-I926 HydrophobicContact CG2-CD1 3.65Å; I922-I926 HydrophobicContact CG2-CG1 4.27Å; I922-I926 WeakPolarHBondContact O-CG1 3.22Å; I922-I926 PolarHBondContact O-N 3.46Å |
| 923 | R | 83.2 | Confident | 81.5 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 21% | 0.208 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54.8 | -47.1 | 176.4 | -74.2 | -165.9 | -44.9 | -143.6 | 5 | 111.9 | Y915 L918 D919 R925 I926 L927 E960 | Y915-R923 HydrophobicContact CD1-CG 4.5Å; Y915-R923 HydrophobicContact CD2-CG 4.35Å; Y915-R923 HydrophobicContact CE1-CB 4.3Å; Y915-R923 HydrophobicContact CE1-CG 4.19Å; Y915-R923 HydrophobicContact CE2-CB 3.84Å; Y915-R923 HydrophobicContact CE2-CG 4.06Å; Y915-R923 WeakPolarHBondContact CE2-O 3.4Å; Y915-R923 VanDerWaalsContact O-CD 3.29Å; Y915-R923 WeakPolarHBondContact O-CD 3.5Å; Y915-R923 PolarHBondContact OH-O 2.91Å; L918-R923 HydrophobicContact CB-CG 3.87Å; L918-R923 WeakPolarHBondContact O-CD 3.42Å; D919-R923 WeakPolarHBondContact O-CG 3.4Å; D919-R923 PolarHBondContact O-N 3.09Å; R923-R925 VanDerWaalsContact C-N 3.34Å; R923-R925 PolarHBondContact O-N 3.39Å; R923-I926 PolarHBondContact O-N 3.42Å; R923-L927 WeakPolarHBondContact O-CB 3.25Å; R923-L927 PolarHBondContact O-N 3.46Å; R923-E960 IonicContact CZ-OE1 2.93Å; R923-E960 IonicContact NE-OE1 2.85Å; R923-E960 PolarHBondContact NE-OE1 3.15Å; R923-E960 IonicContact NH2-OE1 3.89Å; R923-E960 PolarHBondContact NH2-OE1 3.44Å |
| 924 | R | 80.7 | Confident | 81.6 | Confident | 151 Ų | 151 | 54.6 Ų | 54.6 | 57% | 0.57 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.6 | -41.4 | 179.2 | -166.5 | 170.5 | -175.2 | 148.9 | 2.6 | 112.8 | A920 I922 L927 E928 | A920-R924 PolarHBondContact O-N 3.44Å; I922-R924 VanDerWaalsContact C-N 3.33Å; I922-R924 PolarHBondContact O-N 3.34Å; R924-L927 PolarHBondContact O-N 2.85Å; R924-E928 IonicContact NE-OE1 2.61Å; R924-E928 WeakPolarHBondContact O-CG 3.27Å; R924-E928 PolarHBondContact O-N 2.81Å; R924-E928 VanDerWaalsContact O-N 3.08Å |
| 925 | R | 81.4 | Confident | 81.7 | Confident | 182 Ų | 182 | 56.1 Ų | 56.1 | 69% | 0.687 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.8 | -41.1 | 177.2 | -171.3 | 177.9 | 177.5 | -176.9 | -0.3 | 112.4 | Q921 I922 R923 M929 | Q921-R925 PolarHBondContact O-N 3.26Å; I922-R925 PolarHBondContact O-N 2.69Å; R923-R925 VanDerWaalsContact C-N 3.34Å; R923-R925 PolarHBondContact O-N 3.39Å; R925-M929 PolarHBondContact O-N 3.24Å |
| 926 | I | 82.6 | Confident | 81.6 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 176.8 | -70.1 | 176.4 | 0 | 0 | 0 | 110.2 | F893 I911 Y915 L918 I922 R923 M929 H930 | F893-I926 HydrophobicContact CE1-CD1 4.3Å; I911-I926 HydrophobicContact CG2-CG2 4.36Å; Y915-I926 HydrophobicContact CD2-CG2 3.9Å; Y915-I926 HydrophobicContact CE2-CB 4.32Å; Y915-I926 HydrophobicContact CE2-CG2 4.07Å; L918-I926 HydrophobicContact CD1-CD1 3.34Å; I922-I926 HydrophobicContact CG2-CD1 3.65Å; I922-I926 HydrophobicContact CG2-CG1 4.27Å; I922-I926 WeakPolarHBondContact O-CG1 3.22Å; I922-I926 PolarHBondContact O-N 3.46Å; R923-I926 PolarHBondContact O-N 3.42Å; I926-M929 PolarHBondContact O-N 3.26Å; I926-H930 VanDerWaalsContact CG2-CD2 3.48Å; I926-H930 WeakPolarHBondContact CG2-CD2 3.44Å; I926-H930 WeakPolarHBondContact O-CB 3.49Å; I926-H930 PolarHBondContact O-CD2 3.32Å; I926-H930 VanDerWaalsContact O-CD2 3.28Å; I926-H930 PolarHBondContact O-N 3.4Å |
| 927 | L | 83.6 | Confident | 81.6 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57 | -53.8 | 176.7 | 179.3 | 63 | 0 | 0 | 0 | 111.4 | R923 R924 M929 I931 L956 P963 T964 L967 | R923-L927 WeakPolarHBondContact O-CB 3.25Å; R923-L927 PolarHBondContact O-N 3.46Å; R924-L927 PolarHBondContact O-N 2.85Å; L927-M929 PolarHBondContact O-N 3.24Å; L927-I931 HydrophobicContact CD1-CD1 4.06Å; L927-I931 WeakPolarHBondContact O-CB 3.38Å; L927-I931 WeakPolarHBondContact O-CG2 3.09Å; L927-I931 PolarHBondContact O-N 3.29Å; L927-L956 HydrophobicContact CD1-CB 4.16Å; L927-L956 HydrophobicContact CD1-CD1 3.97Å; L927-L956 HydrophobicContact CD1-CG 4.46Å; L927-P963 HydrophobicContact CD2-CB 3.79Å; L927-T964 HydrophobicContact CD1-CG2 4.24Å; L927-L967 HydrophobicContact CD2-CD1 4.36Å; L927-L967 HydrophobicContact CG-CD1 4.13Å |
| 928 | E | 82.9 | Confident | 81.6 | Confident | 100 Ų | 100 | 56 Ų | 56 | 47% | 0.467 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61 | -32.7 | -178.5 | -73.2 | 177.5 | -171.3 | 0 | 0 | 113.3 | R924 L967 | R924-E928 IonicContact NE-OE1 2.61Å; R924-E928 WeakPolarHBondContact O-CG 3.27Å; R924-E928 PolarHBondContact O-N 2.81Å; R924-E928 VanDerWaalsContact O-N 3.08Å; E928-L967 HydrophobicContact CG-CD1 4.12Å |
| 929 | M | 82.2 | Confident | 81.4 | Confident | 45 Ų | 45 | 62.7 Ų | 62.7 | 22% | 0.222 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -79.7 | -52.2 | 179.8 | -174.3 | 176.9 | 68 | 0 | 0 | 112.4 | L892 R925 I926 L927 | L892-M929 VanDerWaalsContact O-CE 3.23Å; L892-M929 WeakPolarHBondContact O-CE 3.34Å; R925-M929 PolarHBondContact O-N 3.24Å; I926-M929 PolarHBondContact O-N 3.26Å; L927-M929 PolarHBondContact O-N 3.24Å |
| 930 | H | 82.2 | Confident | 81.2 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -80.8 | -24.5 | -171.9 | -70.4 | -72.4 | 0 | 0 | 0 | 113.3 | I891 L892 I911 I926 K932 Q933 C934 | I891-H930 PolarHBondContact O-CE1 2.69Å; L892-H930 PolarHBondContact O-NE2 2.94Å; L892-H930 VanDerWaalsContact O-NE2 3.15Å; I911-H930 HydrophobicContact CD1-CB 4.38Å; I911-H930 WeakPolarHBondContact CD1-CE1 3.49Å; I911-H930 WeakPolarHBondContact CD1-ND1 3.41Å; I926-H930 VanDerWaalsContact CG2-CD2 3.48Å; I926-H930 WeakPolarHBondContact CG2-CD2 3.44Å; I926-H930 WeakPolarHBondContact O-CB 3.49Å; I926-H930 PolarHBondContact O-CD2 3.32Å; I926-H930 VanDerWaalsContact O-CD2 3.28Å; I926-H930 PolarHBondContact O-N 3.4Å; H930-K932 PolarHBondContact O-N 2.78Å; H930-Q933 PolarHBondContact ND1-OE1 3.21Å; H930-Q933 CarbonylContact O-C 3.6Å; H930-Q933 WeakPolarHBondContact O-CA 3.42Å; H930-Q933 WeakPolarHBondContact O-CB 3.36Å; H930-Q933 PolarHBondContact O-N 2.76Å; H930-C934 PolarHBondContact O-N 3.38Å; H930-C934 PolarHBondContact O-SG 2.75Å; H930-C934 VanDerWaalsContact O-SG 3.35Å |
| 931 | I | 83.4 | Confident | 81 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.7 | -40.7 | 175.4 | -156.6 | 92.6 | 0 | 0 | 0 | 111 | L927 Q933 C934 L935 T964 L967 F968 | L927-I931 HydrophobicContact CD1-CD1 4.06Å; L927-I931 WeakPolarHBondContact O-CB 3.38Å; L927-I931 WeakPolarHBondContact O-CG2 3.09Å; L927-I931 PolarHBondContact O-N 3.29Å; I931-Q933 VanDerWaalsContact C-N 3.28Å; I931-Q933 PolarHBondContact O-N 2.76Å; I931-C934 PolarHBondContact O-N 2.84Å; I931-L935 VanDerWaalsContact O-CG 3.25Å; I931-L935 WeakPolarHBondContact O-CG 3.36Å; I931-L935 PolarHBondContact O-N 3.42Å; I931-T964 HydrophobicContact CD1-CG2 4.06Å; I931-L967 HydrophobicContact CG1-CB 4.11Å; I931-L967 HydrophobicContact CG2-CB 4.01Å; I931-L967 HydrophobicContact CG2-CD1 4.22Å; I931-F968 HydrophobicContact CD1-CB 4.16Å; I931-F968 HydrophobicContact CG1-CB 4.46Å |
| 932 | K | 82.2 | Confident | 80.7 | Confident | 148 Ų | 148 | 62.1 Ų | 62.1 | 64% | 0.643 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.4 | -34.4 | 177.1 | -65.9 | 179.2 | -177.9 | 174 | 0 | 112.2 | H930 T936 | H930-K932 PolarHBondContact O-N 2.78Å; K932-T936 PolarHBondContact O-N 3.49Å; K932-T936 PolarHBondContact O-OG1 3.14Å |
| 933 | Q | 79.2 | Confident | 80.5 | Confident | 27 Ų | 27 | 61.9 Ų | 61.9 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -76.5 | -43.2 | 177.7 | -63 | 169 | 9.4 | 0 | 0 | 111.4 | P895 L896 H930 I931 L935 T936 A937 | P895-Q933 VanDerWaalsContact CA-NE2 3.26Å; L896-Q933 VanDerWaalsContact CD1-OE1 3.31Å; L896-Q933 VanDerWaalsContact N-NE2 3.13Å; H930-Q933 PolarHBondContact ND1-OE1 3.21Å; H930-Q933 CarbonylContact O-C 3.6Å; H930-Q933 WeakPolarHBondContact O-CA 3.42Å; H930-Q933 WeakPolarHBondContact O-CB 3.36Å; H930-Q933 PolarHBondContact O-N 2.76Å; I931-Q933 VanDerWaalsContact C-N 3.28Å; I931-Q933 PolarHBondContact O-N 2.76Å; Q933-L935 VanDerWaalsContact C-N 3.29Å; Q933-L935 PolarHBondContact O-N 3.05Å; Q933-T936 WeakPolarHBondContact O-CA 3.3Å; Q933-T936 WeakPolarHBondContact O-CB 3.38Å; Q933-T936 PolarHBondContact O-N 3.32Å; Q933-A937 WeakPolarHBondContact O-CB 3.37Å; Q933-A937 PolarHBondContact O-N 2.79Å |
| 934 | C | 82.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.4 | -47 | 172.5 | -67 | 0 | 0 | 0 | 0 | 110 | F908 H930 I931 T936 A937 L938 A949 I953 | F908-C934 WeakPolarHBondContact CE1-SG 3.44Å; H930-C934 PolarHBondContact O-N 3.38Å; H930-C934 PolarHBondContact O-SG 2.75Å; H930-C934 VanDerWaalsContact O-SG 3.35Å; I931-C934 PolarHBondContact O-N 2.84Å; C934-T936 VanDerWaalsContact C-N 3.25Å; C934-T936 PolarHBondContact O-N 2.94Å; C934-A937 CarbonylContact O-C 3.6Å; C934-A937 PolarHBondContact O-N 2.82Å; C934-L938 VanDerWaalsContact O-CG 3.3Å; C934-L938 WeakPolarHBondContact O-CG 3.34Å; C934-L938 PolarHBondContact O-N 3.27Å; C934-A949 HydrophobicContact CB-CB 4.48Å; C934-I953 HydrophobicContact CB-CD1 3.91Å; C934-I953 HydrophobicContact CB-CG1 4.01Å |
| 935 | L | 82.1 | Confident | 79.6 | Confident | 33 Ų | 33 | 54 Ų | 54 | 17% | 0.173 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.7 | -37 | 175.4 | -70.6 | 175.1 | 0 | 0 | 0 | 113.1 | I931 Q933 L938 F968 P971 I972 | I931-L935 VanDerWaalsContact O-CG 3.25Å; I931-L935 WeakPolarHBondContact O-CG 3.36Å; I931-L935 PolarHBondContact O-N 3.42Å; Q933-L935 VanDerWaalsContact C-N 3.29Å; Q933-L935 PolarHBondContact O-N 3.05Å; L935-L938 HydrophobicContact CD2-CD1 4.48Å; L935-F968 HydrophobicContact CD2-CD2 4.16Å; L935-P971 HydrophobicContact CD1-CB 4.21Å; L935-P971 HydrophobicContact CD1-CG 4.02Å; L935-I972 HydrophobicContact CD2-CD1 3.44Å; L935-I972 VanDerWaalsContact CD2-CD1 3.44Å; L935-I972 HydrophobicContact CD2-CG1 3.71Å |
| 936 | T | 81.8 | Confident | 79.6 | Confident | 105 Ų | 105 | 45.3 Ų | 45.3 | 64% | 0.644 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -72.1 | -40.6 | 175.6 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | K932 Q933 C934 L938 R939 | K932-T936 PolarHBondContact O-N 3.49Å; K932-T936 PolarHBondContact O-OG1 3.14Å; Q933-T936 WeakPolarHBondContact O-CA 3.3Å; Q933-T936 WeakPolarHBondContact O-CB 3.38Å; Q933-T936 PolarHBondContact O-N 3.32Å; C934-T936 VanDerWaalsContact C-N 3.25Å; C934-T936 PolarHBondContact O-N 2.94Å; T936-L938 VanDerWaalsContact C-N 3.34Å; T936-L938 PolarHBondContact O-N 3.43Å; T936-R939 PolarHBondContact O-N 2.89Å |
| 937 | A | 79.9 | Confident | 79.4 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 8% | 0.083 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.1 | -28.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F908 Q933 C934 R939 S940 V945 A949 | F908-A937 HydrophobicContact CE2-CB 3.45Å; F908-A937 VanDerWaalsContact CE2-CB 3.45Å; F908-A937 HydrophobicContact CZ-CB 3.54Å; Q933-A937 WeakPolarHBondContact O-CB 3.37Å; Q933-A937 PolarHBondContact O-N 2.79Å; C934-A937 CarbonylContact O-C 3.6Å; C934-A937 PolarHBondContact O-N 2.82Å; A937-R939 PolarHBondContact O-N 3.27Å; A937-S940 WeakPolarHBondContact O-CB 3.38Å; A937-S940 PolarHBondContact O-N 3.04Å; A937-S940 PolarHBondContact O-OG 3.49Å; A937-V945 HydrophobicContact CB-CG1 4.02Å; A937-A949 HydrophobicContact CB-CB 4.05Å |
| 938 | L | 81.2 | Confident | 79.1 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23.4 | 173 | -69.6 | 177.3 | 0 | 0 | 0 | 112.7 | C934 L935 T936 S940 R946 A949 S950 I953 F968 I972 G987 A991 | C934-L938 VanDerWaalsContact O-CG 3.3Å; C934-L938 WeakPolarHBondContact O-CG 3.34Å; C934-L938 PolarHBondContact O-N 3.27Å; L935-L938 HydrophobicContact CD2-CD1 4.48Å; T936-L938 VanDerWaalsContact C-N 3.34Å; T936-L938 PolarHBondContact O-N 3.43Å; L938-S940 VanDerWaalsContact C-N 3.3Å; L938-R946 VanDerWaalsContact O-CD 3.3Å; L938-R946 WeakPolarHBondContact O-CD 3.31Å; L938-A949 HydrophobicContact CD2-CB 3.95Å; L938-A949 HydrophobicContact CG-CB 4.4Å; L938-S950 WeakPolarHBondContact CD2-OG 3.45Å; L938-I953 HydrophobicContact CD1-CD1 3.97Å; L938-F968 HydrophobicContact CD1-CE2 4.13Å; L938-I972 HydrophobicContact CD1-CD1 3.94Å; L938-G987 WeakPolarHBondContact O-CA 3.25Å; L938-A991 HydrophobicContact CD1-CB 4.12Å; L938-A991 HydrophobicContact CD2-CB 4.16Å |
| 939 | R | 79.1 | Confident | 79.1 | Confident | 149 Ų | 149 | 43 Ų | 43 | 56% | 0.562 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 3.9 | 175 | -60.8 | -178.2 | 177.3 | -176.4 | -2.8 | 113.4 | T936 A937 | T936-R939 PolarHBondContact O-N 2.89Å; A937-R939 PolarHBondContact O-N 3.27Å |
| 940 | S | 77.7 | Confident | 79.3 | Confident | 32 Ų | 32 | 40.9 Ų | 40.9 | 22% | 0.224 | 21% | 0.205 | C | C | . | . | trans | -74.6 | 144 | -178.4 | 69.3 | 0 | 0 | 0 | 0 | 112.1 | A937 L938 K942 R946 | A937-S940 WeakPolarHBondContact O-CB 3.38Å; A937-S940 PolarHBondContact O-N 3.04Å; A937-S940 PolarHBondContact O-OG 3.49Å; L938-S940 VanDerWaalsContact C-N 3.3Å; S940-K942 PolarHBondContact O-N 3.41Å; S940-K942 VanDerWaalsContact O-N 3.14Å; S940-R946 VanDerWaalsContact O-CD 3.3Å; S940-R946 WeakPolarHBondContact O-CD 3.34Å; S940-R946 WeakPolarHBondContact O-CG 3.41Å; S940-R946 PolarHBondContact O-NE 3.27Å | ||
| 941 | N | 72.9 | Confident | 79.2 | Confident | 122 Ų | 122 | 45.2 Ų | 45.2 | 65% | 0.652 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -70.6 | -3.7 | 177.4 | -69 | -2.4 | 0 | 0 | 0 | 113.5 | G826 | G826-N941 WeakPolarHBondContact CA-O 3.33Š|
| 942 | K | 73.3 | Confident | 79.2 | Confident | 121 Ų | 121 | 45 Ų | 45 | 53% | 0.526 | 22% | 0.223 | S | C | . | . | trans | -102.6 | 118.4 | -178.6 | -66.4 | -162.4 | 178.3 | -165.7 | 0 | 110.9 | P901 S940 A944 V945 R946 | P901-K942 HydrophobicContact CB-CD 3.65Å; P901-K942 HydrophobicContact CG-CD 3.62Å; P901-K942 VanDerWaalsContact CG-CE 3.5Å; S940-K942 PolarHBondContact O-N 3.41Å; S940-K942 VanDerWaalsContact O-N 3.14Å; K942-A944 VanDerWaalsContact C-N 3.3Å; K942-A944 PolarHBondContact O-N 2.95Å; K942-V945 HydrophobicContact CB-CB 4.44Å; K942-V945 HydrophobicContact CB-CG2 4.15Å; K942-V945 PolarHBondContact O-N 3.08Å; K942-V945 VanDerWaalsContact O-N 3.15Å; K942-R946 PolarHBondContact O-N 3.34Å | ||
| 943 | C | 75.7 | Confident | 79.4 | Confident | 11 Ų | 11 | 38 Ų | 38 | 7% | 0.074 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.9 | -39.1 | -178.7 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | C828 L830 V945 R946 H947 | C828-C943 HydrophobicContact CB-CB 4.29Å; C828-C943 WeakPolarHBondContact O-CB 3.39Å; L830-C943 HydrophobicContact CD1-CB 4.34Å; L830-C943 HydrophobicContact CG-CB 4.29Å; C943-V945 PolarHBondContact O-N 3.33Å; C943-R946 PolarHBondContact O-N 3.08Å; C943-H947 WeakPolarHBondContact O-CB 3.4Å; C943-H947 PolarHBondContact O-N 3.12Å |
| 944 | A | 70.7 | Confident | 79.7 | Confident | 29 Ų | 29 | 37 Ų | 37 | 24% | 0.24 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.1 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | I816 K942 H947 L948 | I816-A944 HydrophobicContact CD1-CB 3.71Å; K942-A944 VanDerWaalsContact C-N 3.3Å; K942-A944 PolarHBondContact O-N 2.95Å; A944-H947 PolarHBondContact O-N 3.35Å; A944-L948 WeakPolarHBondContact O-CB 3.46Å; A944-L948 VanDerWaalsContact O-CG 3.31Å; A944-L948 WeakPolarHBondContact O-CG 3.44Å; A944-L948 PolarHBondContact O-N 3.14Å |
| 945 | V | 74.9 | Confident | 79.6 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.7 | -41 | -179.9 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | P901 T904 F908 A937 K942 C943 L948 A949 | P901-V945 HydrophobicContact CB-CG2 3.84Å; T904-V945 HydrophobicContact CG2-CG1 4.26Å; F908-V945 HydrophobicContact CE2-CG1 4.4Å; A937-V945 HydrophobicContact CB-CG1 4.02Å; K942-V945 HydrophobicContact CB-CB 4.44Å; K942-V945 HydrophobicContact CB-CG2 4.15Å; K942-V945 PolarHBondContact O-N 3.08Å; K942-V945 VanDerWaalsContact O-N 3.15Å; C943-V945 PolarHBondContact O-N 3.33Å; V945-L948 PolarHBondContact O-N 3.46Å; V945-A949 WeakPolarHBondContact O-CB 3.28Å; V945-A949 PolarHBondContact O-N 3.45Å |
| 946 | R | 81 | Confident | 79.7 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.6 | -48.6 | 174.3 | -68.2 | -168.2 | -76.5 | 101.5 | -6.8 | 111.7 | G826 C828 L938 S940 K942 C943 L948 A949 S950 E990 | G826-R946 PolarHBondContact O-NH2 2.99Å; C828-R946 PolarHBondContact O-NH1 3.35Å; C828-R946 PolarHBondContact O-NH2 3.22Å; L938-R946 VanDerWaalsContact O-CD 3.3Å; L938-R946 WeakPolarHBondContact O-CD 3.31Å; S940-R946 VanDerWaalsContact O-CD 3.3Å; S940-R946 WeakPolarHBondContact O-CD 3.34Å; S940-R946 WeakPolarHBondContact O-CG 3.41Å; S940-R946 PolarHBondContact O-NE 3.27Å; K942-R946 PolarHBondContact O-N 3.34Å; C943-R946 PolarHBondContact O-N 3.08Å; R946-L948 PolarHBondContact O-N 3.29Å; R946-A949 PolarHBondContact O-N 3Å; R946-S950 WeakPolarHBondContact O-CB 3.13Å; R946-S950 PolarHBondContact O-N 3.01Å; R946-S950 PolarHBondContact O-OG 2.9Å; R946-E990 IonicContact NH1-OE2 3.76Å; R946-E990 PolarHBondContact NH1-OE2 3.37Å |
| 947 | H | 79.5 | Confident | 79.8 | Confident | 30 Ų | 30 | 31.5 Ų | 31.5 | 14% | 0.139 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | -179.8 | -173.5 | 72.8 | 0 | 0 | 0 | 113 | L830 C943 A944 S950 K951 E990 | L830-H947 HydrophobicContact CB-CB 4Å; L830-H947 HydrophobicContact CD1-CB 3.79Å; L830-H947 HydrophobicContact CG-CB 4.4Å; C943-H947 WeakPolarHBondContact O-CB 3.4Å; C943-H947 PolarHBondContact O-N 3.12Å; A944-H947 PolarHBondContact O-N 3.35Å; H947-S950 WeakPolarHBondContact O-CB 3.32Å; H947-S950 PolarHBondContact O-N 2.93Å; H947-K951 WeakPolarHBondContact O-CB 3.34Å; H947-K951 PolarHBondContact O-N 3.13Å; H947-E990 WeakPolarHBondContact CB-OE1 3.42Å; H947-E990 IonicContact CG-OE1 3.86Å; H947-E990 IonicContact ND1-OE1 3.31Å; H947-E990 PolarHBondContact ND1-OE1 3.25Å |
| 948 | L | 76.9 | Confident | 79.8 | Confident | 25 Ų | 25 | 33.4 Ų | 33.4 | 13% | 0.131 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.5 | -39.2 | 177.7 | -71.8 | 170.2 | 0 | 0 | 0 | 112.2 | I816 A905 F908 A944 V945 R946 K951 C952 | I816-L948 HydrophobicContact CD1-CD1 4.36Å; I816-L948 HydrophobicContact CD1-CG 4.43Å; A905-L948 HydrophobicContact CB-CD1 3.41Å; A905-L948 VanDerWaalsContact CB-CD1 3.41Å; F908-L948 HydrophobicContact CB-CB 4.34Å; A944-L948 WeakPolarHBondContact O-CB 3.46Å; A944-L948 VanDerWaalsContact O-CG 3.31Å; A944-L948 WeakPolarHBondContact O-CG 3.44Å; A944-L948 PolarHBondContact O-N 3.14Å; V945-L948 PolarHBondContact O-N 3.46Å; R946-L948 PolarHBondContact O-N 3.29Å; L948-K951 PolarHBondContact O-N 3.31Å; L948-C952 VanDerWaalsContact O-CB 3.29Å; L948-C952 WeakPolarHBondContact O-CB 3.44Å; L948-C952 PolarHBondContact O-N 3.2Å |
| 949 | A | 83.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F908 C934 A937 L938 V945 R946 C952 I953 | F908-A949 HydrophobicContact CD2-CB 4.24Å; F908-A949 HydrophobicContact CE2-CB 4.02Å; F908-A949 HydrophobicContact CZ-CB 4.45Å; C934-A949 HydrophobicContact CB-CB 4.48Å; A937-A949 HydrophobicContact CB-CB 4.05Å; L938-A949 HydrophobicContact CD2-CB 3.95Å; L938-A949 HydrophobicContact CG-CB 4.4Å; V945-A949 WeakPolarHBondContact O-CB 3.28Å; V945-A949 PolarHBondContact O-N 3.45Å; R946-A949 PolarHBondContact O-N 3Å; A949-C952 WeakPolarHBondContact O-CB 3.31Å; A949-C952 PolarHBondContact O-N 3.49Å; A949-I953 WeakPolarHBondContact O-CD1 3.36Å; A949-I953 WeakPolarHBondContact O-CG1 3.03Å; A949-I953 PolarHBondContact O-N 3.4Å |
| 950 | S | 85.2 | Confident | 79.8 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.9 | -48.2 | 175 | -65.1 | 0 | 0 | 0 | 0 | 112.3 | L938 R946 H947 C952 I953 S954 A991 | L938-S950 WeakPolarHBondContact CD2-OG 3.45Å; R946-S950 WeakPolarHBondContact O-CB 3.13Å; R946-S950 PolarHBondContact O-N 3.01Å; R946-S950 PolarHBondContact O-OG 2.9Å; H947-S950 WeakPolarHBondContact O-CB 3.32Å; H947-S950 PolarHBondContact O-N 2.93Å; S950-C952 VanDerWaalsContact C-N 3.32Å; S950-C952 PolarHBondContact O-N 3.39Å; S950-I953 PolarHBondContact O-N 2.91Å; S950-S954 PolarHBondContact O-N 3.36Å; S950-S954 PolarHBondContact O-OG 3.47Å; S950-S954 VanDerWaalsContact O-OG 3.06Å; S950-A991 VanDerWaalsContact OG-CA 3.29Å; S950-A991 WeakPolarHBondContact OG-CA 3.38Å; S950-A991 WeakPolarHBondContact OG-CB 3.42Å; S950-A991 PolarHBondContact OG-N 3.46Å |
| 951 | K | 81.7 | Confident | 80 | Confident | 92 Ų | 92 | 31.3 Ų | 31.3 | 40% | 0.4 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.4 | -39.9 | 177.2 | -171.4 | 174.4 | -177.9 | 177.8 | 0 | 111.8 | H947 L948 S954 V955 | H947-K951 WeakPolarHBondContact O-CB 3.34Å; H947-K951 PolarHBondContact O-N 3.13Å; L948-K951 PolarHBondContact O-N 3.31Å; K951-S954 PolarHBondContact O-N 3.42Å; K951-V955 VanDerWaalsContact O-CG2 3.27Å; K951-V955 WeakPolarHBondContact O-CG2 3.46Å; K951-V955 PolarHBondContact O-N 3.43Å |
| 952 | C | 82.5 | Confident | 80.5 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.4 | -50 | 174.8 | -173 | 0 | 0 | 0 | 0 | 110.9 | F908 S912 L948 A949 S950 S954 V955 L956 | F908-C952 HydrophobicContact CB-CB 4.33Å; S912-C952 VanDerWaalsContact OG-CA 3.3Å; S912-C952 WeakPolarHBondContact OG-CA 3.42Å; S912-C952 WeakPolarHBondContact OG-CB 3.35Å; L948-C952 VanDerWaalsContact O-CB 3.29Å; L948-C952 WeakPolarHBondContact O-CB 3.44Å; L948-C952 PolarHBondContact O-N 3.2Å; A949-C952 WeakPolarHBondContact O-CB 3.31Å; A949-C952 PolarHBondContact O-N 3.49Å; S950-C952 VanDerWaalsContact C-N 3.32Å; S950-C952 PolarHBondContact O-N 3.39Å; C952-S954 VanDerWaalsContact C-N 3.32Å; C952-S954 PolarHBondContact O-N 2.93Å; C952-V955 PolarHBondContact O-N 2.87Å; C952-L956 VanDerWaalsContact O-CG 3.31Å; C952-L956 WeakPolarHBondContact O-CG 3.32Å; C952-L956 PolarHBondContact O-N 3.41Å |
| 953 | I | 86.2 | Confident | 81 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.6 | -43.6 | 176.6 | -67.5 | 155.6 | 0 | 0 | 0 | 111.6 | C934 L938 A949 S950 V955 L956 A957 T964 F968 A991 | C934-I953 HydrophobicContact CB-CD1 3.91Å; C934-I953 HydrophobicContact CB-CG1 4.01Å; L938-I953 HydrophobicContact CD1-CD1 3.97Å; A949-I953 WeakPolarHBondContact O-CD1 3.36Å; A949-I953 WeakPolarHBondContact O-CG1 3.03Å; A949-I953 PolarHBondContact O-N 3.4Å; S950-I953 PolarHBondContact O-N 2.91Å; I953-V955 VanDerWaalsContact C-N 3.3Å; I953-V955 PolarHBondContact O-N 3.47Å; I953-L956 PolarHBondContact O-N 3.23Å; I953-A957 WeakPolarHBondContact O-CB 3.49Å; I953-A957 PolarHBondContact O-N 2.91Å; I953-T964 HydrophobicContact CG2-CG2 4.48Å; I953-F968 HydrophobicContact CD1-CD2 3.83Å; I953-F968 HydrophobicContact CD1-CE2 3.54Å; I953-F968 HydrophobicContact CG1-CD2 4.33Å; I953-F968 HydrophobicContact CG1-CE2 4.4Å; I953-F968 HydrophobicContact CG2-CD1 4.34Å; I953-F968 HydrophobicContact CG2-CD2 3.87Å; I953-F968 HydrophobicContact CG2-CE1 4.46Å; I953-F968 HydrophobicContact CG2-CE2 3.96Å; I953-F968 HydrophobicContact CG2-CG 4.07Å; I953-F968 HydrophobicContact CG2-CZ 4.29Å; I953-A991 HydrophobicContact CD1-CB 4.32Å |
| 954 | S | 85.1 | Confident | 81.4 | Confident | 4 Ų | 4 | 24 Ų | 24 | 3% | 0.028 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.5 | -32.2 | 177.7 | -50.7 | 0 | 0 | 0 | 0 | 112.8 | S950 K951 C952 G958 C994 L995 K998 | S950-S954 PolarHBondContact O-N 3.36Å; S950-S954 PolarHBondContact O-OG 3.47Å; S950-S954 VanDerWaalsContact O-OG 3.06Å; K951-S954 PolarHBondContact O-N 3.42Å; C952-S954 VanDerWaalsContact C-N 3.32Å; C952-S954 PolarHBondContact O-N 2.93Å; S954-G958 PolarHBondContact O-N 3.04Å; S954-G958 VanDerWaalsContact O-N 3.09Å; S954-C994 VanDerWaalsContact OG-CB 3.27Å; S954-C994 WeakPolarHBondContact OG-CB 3.39Å; S954-C994 PolarHBondContact OG-O 3.13Å; S954-L995 PolarHBondContact OG-N 3.18Å; S954-K998 WeakPolarHBondContact O-CD 3.16Å |
| 955 | V | 82 | Confident | 82.1 | Confident | 20 Ų | 20 | 23 Ų | 23 | 12% | 0.121 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.4 | -46.1 | 173.2 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | S912 K951 C952 I953 A957 G958 T959 | S912-V955 WeakPolarHBondContact O-CG1 3.31Å; K951-V955 VanDerWaalsContact O-CG2 3.27Å; K951-V955 WeakPolarHBondContact O-CG2 3.46Å; K951-V955 PolarHBondContact O-N 3.43Å; C952-V955 PolarHBondContact O-N 2.87Å; I953-V955 VanDerWaalsContact C-N 3.3Å; I953-V955 PolarHBondContact O-N 3.47Å; V955-A957 VanDerWaalsContact C-N 3.33Å; V955-A957 PolarHBondContact O-N 3.42Å; V955-G958 PolarHBondContact O-N 3.19Å; V955-G958 VanDerWaalsContact O-N 3.15Å; V955-T959 PolarHBondContact O-N 2.96Å; V955-T959 PolarHBondContact O-OG1 3.35Å |
| 956 | L | 83.5 | Confident | 82.7 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.4 | -46.9 | 176.6 | -63 | 173 | 0 | 0 | 0 | 111.3 | Y915 L927 C952 I953 G958 T959 E960 T964 | Y915-L956 HydrophobicContact CD1-CD2 3.64Å; Y915-L956 HydrophobicContact CD2-CD2 3.36Å; Y915-L956 HydrophobicContact CE1-CD2 3.65Å; Y915-L956 HydrophobicContact CE2-CD2 3.36Å; Y915-L956 HydrophobicContact CG-CD2 3.49Å; Y915-L956 VanDerWaalsContact CG-CD2 3.49Å; L927-L956 HydrophobicContact CD1-CB 4.16Å; L927-L956 HydrophobicContact CD1-CD1 3.97Å; L927-L956 HydrophobicContact CD1-CG 4.46Å; C952-L956 VanDerWaalsContact O-CG 3.31Å; C952-L956 WeakPolarHBondContact O-CG 3.32Å; C952-L956 PolarHBondContact O-N 3.41Å; I953-L956 PolarHBondContact O-N 3.23Å; L956-G958 VanDerWaalsContact C-N 3.31Å; L956-G958 PolarHBondContact O-N 3.27Å; L956-T959 PolarHBondContact O-N 2.96Å; L956-T959 PolarHBondContact O-OG1 3.32Å; L956-E960 PolarHBondContact O-N 3.16Å; L956-T964 HydrophobicContact CB-CG2 4.16Å |
| 957 | A | 83 | Confident | 82.9 | Confident | 3 Ų | 3 | 27.4 Ų | 27.4 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.1 | -25.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I953 V955 T959 L961 T964 L995 I999 | I953-A957 WeakPolarHBondContact O-CB 3.49Å; I953-A957 PolarHBondContact O-N 2.91Å; V955-A957 VanDerWaalsContact C-N 3.33Å; V955-A957 PolarHBondContact O-N 3.42Å; A957-T959 VanDerWaalsContact C-N 3.29Å; A957-T959 PolarHBondContact O-N 3.26Å; A957-L961 HydrophobicContact CB-CD1 4.46Å; A957-L961 VanDerWaalsContact O-CA 3.29Å; A957-L961 WeakPolarHBondContact O-CA 3.48Å; A957-L961 PolarHBondContact O-N 2.93Å; A957-T964 HydrophobicContact CB-CG2 3.84Å; A957-L995 HydrophobicContact CB-CD1 3.52Å; A957-I999 HydrophobicContact CB-CD1 3.54Å |
| 958 | G | 81.2 | Confident | 83.2 | Confident | 50 Ų | 50 | 26 Ų | 26 | 52% | 0.515 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -69.6 | -26 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S954 V955 L956 | S954-G958 PolarHBondContact O-N 3.04Å; S954-G958 VanDerWaalsContact O-N 3.09Å; V955-G958 PolarHBondContact O-N 3.19Å; V955-G958 VanDerWaalsContact O-N 3.15Å; L956-G958 VanDerWaalsContact C-N 3.31Å; L956-G958 PolarHBondContact O-N 3.27Å |
| 959 | T | 79.8 | Confident | 83.7 | Confident | 58 Ų | 58 | 24.8 Ų | 24.8 | 36% | 0.356 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -94.1 | -45.2 | 175.5 | 36.3 | 0 | 0 | 0 | 0 | 112.9 | Y915 P916 V955 L956 A957 | Y915-T959 WeakPolarHBondContact CD1-OG1 3.43Å; Y915-T959 WeakPolarHBondContact CE1-OG1 3.24Å; P916-T959 HydrophobicContact CB-CG2 4.34Å; V955-T959 PolarHBondContact O-N 2.96Å; V955-T959 PolarHBondContact O-OG1 3.35Å; L956-T959 PolarHBondContact O-N 2.96Å; L956-T959 PolarHBondContact O-OG1 3.32Å; A957-T959 VanDerWaalsContact C-N 3.29Å; A957-T959 PolarHBondContact O-N 3.26Å |
| 960 | E | 80.5 | Confident | 83.8 | Confident | 33 Ų | 33 | 26.3 Ų | 26.3 | 15% | 0.154 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -133.5 | 87.7 | -179.4 | -71.4 | -178.5 | -169.9 | 0 | 0 | 109.4 | R923 L956 P963 T964 | R923-E960 IonicContact CZ-OE1 2.93Å; R923-E960 IonicContact NE-OE1 2.85Å; R923-E960 PolarHBondContact NE-OE1 3.15Å; R923-E960 IonicContact NH2-OE1 3.89Å; R923-E960 PolarHBondContact NH2-OE1 3.44Å; L956-E960 PolarHBondContact O-N 3.16Å; E960-P963 HydrophobicContact CB-CG 4.44Å; E960-T964 VanDerWaalsContact O-CB 3.3Å; E960-T964 WeakPolarHBondContact O-CB 3.24Å; E960-T964 PolarHBondContact O-OG1 2.83Å |
| 961 | L | 81.7 | Confident | 83.7 | Confident | 46 Ų | 46 | 29 Ų | 29 | 24% | 0.241 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -58.5 | -172.2 | -178.5 | 62.4 | 0 | 0 | 0 | 112.3 | A957 T964 L965 I999 H1002 L1003 | A957-L961 HydrophobicContact CB-CD1 4.46Å; A957-L961 VanDerWaalsContact O-CA 3.29Å; A957-L961 WeakPolarHBondContact O-CA 3.48Å; A957-L961 PolarHBondContact O-N 2.93Å; L961-T964 PolarHBondContact O-N 3.45Å; L961-L965 HydrophobicContact CD1-CD1 3.81Å; L961-L965 HydrophobicContact CD1-CD2 4.49Å; L961-L965 HydrophobicContact CD1-CG 4.07Å; L961-L965 HydrophobicContact CG-CD1 3.91Å; L961-L965 HydrophobicContact CG-CG 4.44Å; L961-L965 VanDerWaalsContact O-CG 3.3Å; L961-L965 WeakPolarHBondContact O-CG 3.12Å; L961-L965 PolarHBondContact O-N 3.43Å; L961-I999 HydrophobicContact CD1-CD1 3.74Å; L961-I999 HydrophobicContact CD1-CG2 4.12Å; L961-H1002 HydrophobicContact CD2-CB 4.31Å; L961-L1003 HydrophobicContact CD1-CD2 4.25Å |
| 962 | I | 82.8 | Confident | 83.8 | Confident | 58 Ų | 58 | 24.9 Ų | 24.9 | 30% | 0.297 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -67.8 | -48.2 | -166.8 | -58.2 | 162.4 | 0 | 0 | 0 | 112.8 | T964 L965 N966 E1051 | I962-T964 VanDerWaalsContact C-N 3.27Å; I962-T964 PolarHBondContact O-N 3.31Å; I962-L965 PolarHBondContact O-N 3.1Å; I962-N966 PolarHBondContact O-N 3.37Å; I962-N966 VanDerWaalsContact O-N 3.08Å; I962-E1051 HydrophobicContact CD1-CB 4.13Å; I962-E1051 WeakPolarHBondContact CD1-OE2 3.23Å; I962-E1051 HydrophobicContact CG2-CB 3.66Å; I962-E1051 WeakPolarHBondContact CG2-O 3.42Å |
| 963 | P | 83.5 | Confident | 83.9 | Confident | 42 Ų | 42 | 24.9 Ų | 24.9 | 27% | 0.273 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -59.8 | -38.4 | 176.5 | -23.3 | 34.8 | 0 | 0 | 0 | 112.5 | L927 E960 L967 | L927-P963 HydrophobicContact CD2-CB 3.79Å; E960-P963 HydrophobicContact CB-CG 4.44Å; P963-L967 WeakPolarHBondContact O-CG 3.24Å; P963-L967 PolarHBondContact O-N 2.9Å |
| 964 | T | 84.7 | Confident | 83.6 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.9 | -45.8 | 178.8 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | L927 I931 I953 L956 A957 E960 L961 I962 N966 L967 F968 | L927-T964 HydrophobicContact CD1-CG2 4.24Å; I931-T964 HydrophobicContact CD1-CG2 4.06Å; I953-T964 HydrophobicContact CG2-CG2 4.48Å; L956-T964 HydrophobicContact CB-CG2 4.16Å; A957-T964 HydrophobicContact CB-CG2 3.84Å; E960-T964 VanDerWaalsContact O-CB 3.3Å; E960-T964 WeakPolarHBondContact O-CB 3.24Å; E960-T964 PolarHBondContact O-OG1 2.83Å; L961-T964 PolarHBondContact O-N 3.45Å; I962-T964 VanDerWaalsContact C-N 3.27Å; I962-T964 PolarHBondContact O-N 3.31Å; T964-N966 PolarHBondContact O-N 3.01Å; T964-L967 PolarHBondContact O-N 3.18Å; T964-F968 WeakPolarHBondContact O-CB 3.37Å; T964-F968 PolarHBondContact O-N 2.95Å |
| 965 | L | 84.9 | Confident | 83.5 | Confident | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 178.5 | -68.3 | 179.6 | 0 | 0 | 0 | 112.3 | L961 I962 L967 F968 L969 L995 L1003 V1006 | L961-L965 HydrophobicContact CD1-CD1 3.81Å; L961-L965 HydrophobicContact CD1-CD2 4.49Å; L961-L965 HydrophobicContact CD1-CG 4.07Å; L961-L965 HydrophobicContact CG-CD1 3.91Å; L961-L965 HydrophobicContact CG-CG 4.44Å; L961-L965 VanDerWaalsContact O-CG 3.3Å; L961-L965 WeakPolarHBondContact O-CG 3.12Å; L961-L965 PolarHBondContact O-N 3.43Å; I962-L965 PolarHBondContact O-N 3.1Å; L965-L967 VanDerWaalsContact C-N 3.29Å; L965-L967 PolarHBondContact O-N 3.13Å; L965-F968 PolarHBondContact O-N 3.38Å; L965-L969 HydrophobicContact CB-CD1 4.17Å; L965-L969 HydrophobicContact CD2-CD1 3.98Å; L965-L969 HydrophobicContact CD2-CG 4.26Å; L965-L969 WeakPolarHBondContact O-CB 3.44Å; L965-L969 WeakPolarHBondContact O-CG 3.33Å; L965-L969 PolarHBondContact O-N 3.36Å; L965-L995 HydrophobicContact CD2-CD2 3.86Å; L965-L1003 HydrophobicContact CD1-CD2 4.39Å; L965-L1003 HydrophobicContact CD2-CD2 4.23Å; L965-V1006 HydrophobicContact CD1-CG1 4.29Å; L965-V1006 HydrophobicContact CD1-CG2 4.1Å |
| 966 | N | 86.8 | Confident | 83.5 | Confident | 39 Ų | 39 | 27 Ų | 27 | 21% | 0.209 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.3 | -32.8 | -179.9 | -76.2 | -21.7 | 0 | 0 | 0 | 113.1 | I962 T964 P970 E1051 C1053 | I962-N966 PolarHBondContact O-N 3.37Å; I962-N966 VanDerWaalsContact O-N 3.08Å; T964-N966 PolarHBondContact O-N 3.01Å; N966-P970 VanDerWaalsContact O-CD 3.26Å; N966-P970 WeakPolarHBondContact O-CD 3.47Å; N966-P970 WeakPolarHBondContact O-CG 3.21Å; N966-E1051 PolarHBondContact ND2-O 3.47Å; N966-C1053 HydrophobicContact CB-CB 4.35Å; N966-C1053 PolarHBondContact OD1-N 3.3Å |
| 967 | L | 85.2 | Confident | 83.2 | Confident | 65 Ų | 65 | 29.5 Ų | 29.5 | 34% | 0.34 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -87.8 | -33.3 | 178.7 | -66.8 | 170.6 | 0 | 0 | 0 | 113 | L927 E928 I931 P963 T964 L965 | L927-L967 HydrophobicContact CD2-CD1 4.36Å; L927-L967 HydrophobicContact CG-CD1 4.13Å; E928-L967 HydrophobicContact CG-CD1 4.12Å; I931-L967 HydrophobicContact CG1-CB 4.11Å; I931-L967 HydrophobicContact CG2-CB 4.01Å; I931-L967 HydrophobicContact CG2-CD1 4.22Å; P963-L967 WeakPolarHBondContact O-CG 3.24Å; P963-L967 PolarHBondContact O-N 2.9Å; T964-L967 PolarHBondContact O-N 3.18Å; L965-L967 VanDerWaalsContact C-N 3.29Å; L965-L967 PolarHBondContact O-N 3.13Å |
| 968 | F | 86.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -83.2 | -47.1 | -174.3 | 170.8 | -110.3 | 0 | 0 | 0 | 113.5 | I931 L935 L938 I953 T964 L965 I972 A991 L995 | I931-F968 HydrophobicContact CD1-CB 4.16Å; I931-F968 HydrophobicContact CG1-CB 4.46Å; L935-F968 HydrophobicContact CD2-CD2 4.16Å; L938-F968 HydrophobicContact CD1-CE2 4.13Å; I953-F968 HydrophobicContact CD1-CD2 3.83Å; I953-F968 HydrophobicContact CD1-CE2 3.54Å; I953-F968 HydrophobicContact CG1-CD2 4.33Å; I953-F968 HydrophobicContact CG1-CE2 4.4Å; I953-F968 HydrophobicContact CG2-CD1 4.34Å; I953-F968 HydrophobicContact CG2-CD2 3.87Å; I953-F968 HydrophobicContact CG2-CE1 4.46Å; I953-F968 HydrophobicContact CG2-CE2 3.96Å; I953-F968 HydrophobicContact CG2-CG 4.07Å; I953-F968 HydrophobicContact CG2-CZ 4.29Å; T964-F968 WeakPolarHBondContact O-CB 3.37Å; T964-F968 PolarHBondContact O-N 2.95Å; L965-F968 PolarHBondContact O-N 3.38Å; F968-I972 HydrophobicContact CD2-CD1 3.45Å; F968-I972 VanDerWaalsContact CD2-CD1 3.45Å; F968-I972 HydrophobicContact CE1-CD1 4.2Å; F968-I972 HydrophobicContact CE2-CD1 2.94Å; F968-I972 HydrophobicContact CE2-CG1 4.42Å; F968-I972 HydrophobicContact CG-CD1 4.25Å; F968-I972 HydrophobicContact CZ-CD1 3.37Å; F968-A991 HydrophobicContact CE2-CB 3.9Å; F968-A991 HydrophobicContact CZ-CB 3.59Å; F968-L995 HydrophobicContact CE1-CD2 4.42Å |
| 969 | L | 86.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.5 | -48.8 | -168 | -67.8 | -179.6 | 0 | 0 | 0 | 114.1 | L965 I972 L973 V1006 L1010 L1056 | L965-L969 HydrophobicContact CB-CD1 4.17Å; L965-L969 HydrophobicContact CD2-CD1 3.98Å; L965-L969 HydrophobicContact CD2-CG 4.26Å; L965-L969 WeakPolarHBondContact O-CB 3.44Å; L965-L969 WeakPolarHBondContact O-CG 3.33Å; L965-L969 PolarHBondContact O-N 3.36Å; L969-I972 PolarHBondContact O-N 2.98Å; L969-L973 HydrophobicContact CB-CD1 3.94Å; L969-L973 HydrophobicContact CB-CG 4.29Å; L969-L973 VanDerWaalsContact O-CG 3.24Å; L969-L973 WeakPolarHBondContact O-CG 3.27Å; L969-L973 PolarHBondContact O-N 3.4Å; L969-V1006 HydrophobicContact CD1-CB 4.42Å; L969-V1006 HydrophobicContact CD1-CG1 4.29Å; L969-L1010 HydrophobicContact CD2-CD2 3.61Å; L969-L1056 HydrophobicContact CB-CD1 4.26Å; L969-L1056 HydrophobicContact CB-CD2 3.85Å; L969-L1056 HydrophobicContact CD1-CD1 4.1Å; L969-L1056 HydrophobicContact CD1-CD2 4.19Å |
| 970 | P | 85.9 | Confident | 82.2 | Confident | 32 Ų | 32 | 39.5 Ų | 39.5 | 21% | 0.208 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.5 | -43.3 | -171.5 | -22.4 | 31.8 | 0 | 0 | 0 | 115.2 | N966 I972 S974 L1056 | N966-P970 VanDerWaalsContact O-CD 3.26Å; N966-P970 WeakPolarHBondContact O-CD 3.47Å; N966-P970 WeakPolarHBondContact O-CG 3.21Å; P970-I972 VanDerWaalsContact C-N 3.33Å; P970-I972 PolarHBondContact O-N 3.49Å; P970-S974 PolarHBondContact O-OG 2.97Å; P970-L1056 HydrophobicContact CG-CG 4.43Å |
| 971 | P | 82.7 | Confident | 82.2 | Confident | 58 Ų | 58 | 42.2 Ų | 42.2 | 38% | 0.377 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.4 | -32.2 | 176 | -20.8 | 33.4 | 0 | 0 | 0 | 113.8 | L935 S974 T975 | L935-P971 HydrophobicContact CD1-CB 4.21Å; L935-P971 HydrophobicContact CD1-CG 4.02Å; P971-S974 PolarHBondContact O-OG 3.41Å; P971-S974 VanDerWaalsContact O-OG 3.07Å; P971-T975 PolarHBondContact O-OG1 3.46Å |
| 972 | I | 85.3 | Confident | 82 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -81.6 | -43.5 | -175.4 | -81.8 | 171.8 | 0 | 0 | 0 | 111.8 | L935 L938 F968 L969 P970 S974 T975 L976 P988 I992 | L935-I972 HydrophobicContact CD2-CD1 3.44Å; L935-I972 VanDerWaalsContact CD2-CD1 3.44Å; L935-I972 HydrophobicContact CD2-CG1 3.71Å; L938-I972 HydrophobicContact CD1-CD1 3.94Å; F968-I972 HydrophobicContact CD2-CD1 3.45Å; F968-I972 VanDerWaalsContact CD2-CD1 3.45Å; F968-I972 HydrophobicContact CE1-CD1 4.2Å; F968-I972 HydrophobicContact CE2-CD1 2.94Å; F968-I972 HydrophobicContact CE2-CG1 4.42Å; F968-I972 HydrophobicContact CG-CD1 4.25Å; F968-I972 HydrophobicContact CZ-CD1 3.37Å; L969-I972 PolarHBondContact O-N 2.98Å; P970-I972 VanDerWaalsContact C-N 3.33Å; P970-I972 PolarHBondContact O-N 3.49Å; I972-S974 VanDerWaalsContact C-N 3.3Å; I972-S974 PolarHBondContact O-N 3.01Å; I972-T975 PolarHBondContact O-N 3.24Å; I972-T975 VanDerWaalsContact O-N 3.12Å; I972-L976 HydrophobicContact CG2-CD1 3.52Å; I972-L976 HydrophobicContact CG2-CG 4.08Å; I972-L976 WeakPolarHBondContact O-CB 3.42Å; I972-L976 WeakPolarHBondContact O-CG 3.3Å; I972-L976 PolarHBondContact O-N 2.85Å; I972-P988 HydrophobicContact CB-CB 4.28Å; I972-P988 HydrophobicContact CD1-CB 4.03Å; I972-P988 HydrophobicContact CG1-CB 3.9Å; I972-P988 HydrophobicContact CG1-CG 4.18Å; I972-P988 HydrophobicContact CG2-CB 3.55Å; I972-I992 HydrophobicContact CG2-CD1 4.37Å |
| 973 | L | 84.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -41.8 | -176.8 | -61.4 | 169.2 | 0 | 0 | 0 | 110.7 | L969 T975 L976 E977 V1009 L1010 S1013 L1056 R1059 | L969-L973 HydrophobicContact CB-CD1 3.94Å; L969-L973 HydrophobicContact CB-CG 4.29Å; L969-L973 VanDerWaalsContact O-CG 3.24Å; L969-L973 WeakPolarHBondContact O-CG 3.27Å; L969-L973 PolarHBondContact O-N 3.4Å; L973-T975 PolarHBondContact O-N 2.99Å; L973-L976 PolarHBondContact O-N 3.46Å; L973-E977 WeakPolarHBondContact O-CB 3.34Å; L973-E977 VanDerWaalsContact O-CG 3.25Å; L973-E977 WeakPolarHBondContact O-CG 3.35Å; L973-E977 PolarHBondContact O-N 3.47Å; L973-V1009 HydrophobicContact CD1-CG1 3.46Å; L973-V1009 VanDerWaalsContact CD1-CG1 3.46Å; L973-V1009 HydrophobicContact CD2-CG1 4.31Å; L973-L1010 HydrophobicContact CD2-CD2 4.31Å; L973-S1013 WeakPolarHBondContact CD2-OG 3.3Å; L973-L1056 HydrophobicContact CD1-CD2 3.61Å; L973-R1059 VanDerWaalsContact CB-NH1 3.26Å |
| 974 | S | 80 | Confident | 81.6 | Confident | 47 Ų | 47 | 39.5 Ų | 39.5 | 33% | 0.329 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 174.2 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | P970 P971 I972 T978 | P970-S974 PolarHBondContact O-OG 2.97Å; P971-S974 PolarHBondContact O-OG 3.41Å; P971-S974 VanDerWaalsContact O-OG 3.07Å; I972-S974 VanDerWaalsContact C-N 3.3Å; I972-S974 PolarHBondContact O-N 3.01Å; S974-T978 PolarHBondContact O-N 3.3Å; S974-T978 PolarHBondContact O-OG1 3.09Å |
| 975 | T | 81.8 | Confident | 81.5 | Confident | 22 Ų | 22 | 39.4 Ų | 39.4 | 14% | 0.135 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.8 | -44.1 | 177.1 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | P971 I972 L973 S979 A984 | P971-T975 PolarHBondContact O-OG1 3.46Å; I972-T975 PolarHBondContact O-N 3.24Å; I972-T975 VanDerWaalsContact O-N 3.12Å; L973-T975 PolarHBondContact O-N 2.99Å; T975-S979 WeakPolarHBondContact O-CB 3.39Å; T975-S979 PolarHBondContact O-N 3.05Å; T975-A984 HydrophobicContact CG2-CB 4.08Å |
| 976 | L | 82.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -44.1 | 177.7 | -75.8 | 171.9 | 0 | 0 | 0 | 110.8 | I972 L973 T978 C985 P988 I992 K1017 | I972-L976 HydrophobicContact CG2-CD1 3.52Å; I972-L976 HydrophobicContact CG2-CG 4.08Å; I972-L976 WeakPolarHBondContact O-CB 3.42Å; I972-L976 WeakPolarHBondContact O-CG 3.3Å; I972-L976 PolarHBondContact O-N 2.85Å; L973-L976 PolarHBondContact O-N 3.46Å; L976-T978 VanDerWaalsContact C-N 3.34Å; L976-T978 PolarHBondContact O-N 3.48Å; L976-C985 HydrophobicContact CD2-CB 4.29Å; L976-P988 HydrophobicContact CD1-CB 4.24Å; L976-P988 HydrophobicContact CD2-CB 4.2Å; L976-P988 HydrophobicContact CG-CB 4.18Å; L976-I992 HydrophobicContact CD1-CD1 3.52Å; L976-K1017 HydrophobicContact CD2-CG 4.37Å; L976-K1017 WeakPolarHBondContact O-CE 3.04Å; L976-K1017 PolarHBondContact O-NZ 3.4Å |
| 977 | E | 77.4 | Confident | 81.4 | Confident | 54 Ų | 54 | 37.4 Ų | 37.4 | 25% | 0.252 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.5 | -34 | -177.8 | -70.8 | 166.4 | 156.6 | 0 | 0 | 113.2 | L973 R1059 R1063 | L973-E977 WeakPolarHBondContact O-CB 3.34Å; L973-E977 VanDerWaalsContact O-CG 3.25Å; L973-E977 WeakPolarHBondContact O-CG 3.35Å; L973-E977 PolarHBondContact O-N 3.47Å; E977-R1059 VanDerWaalsContact CD-NH1 3.34Å; E977-R1059 IonicContact OE1-NH1 3.35Å; E977-R1059 PolarHBondContact OE1-NH1 3.15Å; E977-R1059 IonicContact OE2-CZ 2.74Å; E977-R1059 IonicContact OE2-NH1 3.52Å; E977-R1059 PolarHBondContact OE2-NH1 3.2Å; E977-R1059 IonicContact OE2-NH2 2.73Å; E977-R1063 IonicContact OE1-CZ 2.72Å; E977-R1063 IonicContact OE1-NE 3.74Å; E977-R1063 IonicContact OE1-NH2 3.52Å; E977-R1063 PolarHBondContact OE1-NH2 2.95Å |
| 978 | T | 75.8 | Confident | 81.5 | Confident | 116 Ų | 116 | 34.6 Ų | 34.6 | 71% | 0.712 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -102.8 | -28.8 | -169.8 | 56.4 | 0 | 0 | 0 | 0 | 115.2 | S974 L976 | S974-T978 PolarHBondContact O-N 3.3Å; S974-T978 PolarHBondContact O-OG1 3.09Å; L976-T978 VanDerWaalsContact C-N 3.34Å; L976-T978 PolarHBondContact O-N 3.48Å |
| 979 | S | 74.6 | Confident | 81.5 | Confident | 24 Ų | 24 | 34.6 Ų | 34.6 | 17% | 0.168 | 20% | 0.2 | C | C | . | . | trans | -83.8 | 128.5 | -168.7 | -174.1 | 0 | 0 | 0 | 0 | 112.9 | T975 D981 A984 C985 K1017 | T975-S979 WeakPolarHBondContact O-CB 3.39Å; T975-S979 PolarHBondContact O-N 3.05Å; S979-D981 PolarHBondContact OG-N 2.83Å; S979-A984 WeakPolarHBondContact OG-CB 3.35Å; S979-C985 PolarHBondContact O-SG 3.4Å; S979-K1017 PolarHBondContact O-NZ 2.95Å | ||
| 980 | E | 72.5 | Confident | 81.4 | Confident | 180 Ų | 180 | 34.6 Ų | 34.6 | 84% | 0.841 | 20% | 0.2 | S | C | * | . | trans | -89.3 | -9.1 | 167.1 | -65.1 | -173 | 171.7 | 0 | 0 | 112.7 | F1020 | E980-F1020 VanDerWaalsContact O-CZ 3.29Å; E980-F1020 WeakPolarHBondContact O-CZ 3.3Å | ||
| 981 | D | 80.1 | Confident | 81.5 | Confident | 90 Ų | 90 | 33 Ų | 33 | 48% | 0.481 | 19% | 0.19 | S | C | . | . | trans | -71 | 129.4 | 179.1 | -178.2 | 17.3 | 0 | 0 | 0 | 112 | S979 A983 A984 C985 | S979-D981 PolarHBondContact OG-N 2.83Å; D981-A983 PolarHBondContact OD1-N 2.93Å; D981-A984 HydrophobicContact CB-CB 4.11Å; D981-A984 PolarHBondContact O-N 3.09Å; D981-C985 PolarHBondContact O-N 3.32Å; D981-C985 PolarHBondContact O-SG 3.4Å | ||
| 982 | V | 78.8 | Confident | 81.7 | Confident | 50 Ų | 50 | 30.3 Ų | 30.3 | 30% | 0.303 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 179.3 | -176 | 0 | 0 | 0 | 0 | 110.4 | A984 C985 I986 F1020 I1025 | V982-A984 VanDerWaalsContact C-N 3.32Å; V982-A984 PolarHBondContact O-N 3.34Å; V982-C985 PolarHBondContact O-N 2.82Å; V982-I986 WeakPolarHBondContact O-CB 3.21Å; V982-I986 WeakPolarHBondContact O-CG2 3.42Å; V982-I986 PolarHBondContact O-N 3.19Å; V982-F1020 HydrophobicContact CG2-CE1 4.05Å; V982-F1020 HydrophobicContact CG2-CZ 4.21Å; V982-I1025 HydrophobicContact CG1-CD1 3.76Å |
| 983 | A | 75.6 | Confident | 81.8 | Confident | 27 Ų | 27 | 30.1 Ų | 30.1 | 22% | 0.223 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.9 | -35.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D981 | D981-A983 PolarHBondContact OD1-N 2.93Å |
| 984 | A | 80.5 | Confident | 81.8 | Confident | 12 Ų | 12 | 31 Ų | 31 | 10% | 0.099 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.3 | -27.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T975 S979 D981 V982 P988 | T975-A984 HydrophobicContact CG2-CB 4.08Å; S979-A984 WeakPolarHBondContact OG-CB 3.35Å; D981-A984 HydrophobicContact CB-CB 4.11Å; D981-A984 PolarHBondContact O-N 3.09Å; V982-A984 VanDerWaalsContact C-N 3.32Å; V982-A984 PolarHBondContact O-N 3.34Å; A984-P988 VanDerWaalsContact O-CD 3.3Å; A984-P988 WeakPolarHBondContact O-CD 3.47Å; A984-P988 VanDerWaalsContact O-CG 3.31Å; A984-P988 WeakPolarHBondContact O-CG 3.48Å |
| 985 | C | 83.3 | Confident | 82 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -93.6 | -35 | -175.7 | -62.6 | 0 | 0 | 0 | 0 | 113.7 | L976 S979 D981 V982 P988 L989 K1017 I1025 | L976-C985 HydrophobicContact CD2-CB 4.29Å; S979-C985 PolarHBondContact O-SG 3.4Å; D981-C985 PolarHBondContact O-N 3.32Å; D981-C985 PolarHBondContact O-SG 3.4Å; V982-C985 PolarHBondContact O-N 2.82Å; C985-P988 WeakPolarHBondContact O-CD 3.33Å; C985-L989 VanDerWaalsContact O-CB 3.32Å; C985-L989 WeakPolarHBondContact O-CB 3.5Å; C985-L989 PolarHBondContact O-N 2.88Å; C985-L989 VanDerWaalsContact O-N 3.16Å; C985-K1017 WeakPolarHBondContact SG-CE 3.34Å; C985-I1025 HydrophobicContact CB-CD1 4.29Å |
| 986 | I | 85.2 | Confident | 82.1 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.015 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.1 | -45 | -168.5 | -164.4 | 167.7 | 0 | 0 | 0 | 113.4 | T827 I829 V982 E990 I1025 | T827-I986 WeakPolarHBondContact O-CD1 3.45Å; I829-I986 HydrophobicContact CD1-CD1 4.39Å; I829-I986 HydrophobicContact CD1-CG1 3.95Å; I829-I986 HydrophobicContact CG1-CD1 3.82Å; I829-I986 HydrophobicContact CG1-CG1 3.67Å; V982-I986 WeakPolarHBondContact O-CB 3.21Å; V982-I986 WeakPolarHBondContact O-CG2 3.42Å; V982-I986 PolarHBondContact O-N 3.19Å; I986-E990 WeakPolarHBondContact O-CB 3.48Å; I986-E990 PolarHBondContact O-N 3.26Å; I986-I1025 HydrophobicContact CB-CD1 3.92Å; I986-I1025 HydrophobicContact CB-CG1 4.06Å; I986-I1025 HydrophobicContact CD1-CG1 4.32Å; I986-I1025 HydrophobicContact CG1-CD1 4.33Å; I986-I1025 HydrophobicContact CG1-CG1 3.96Å |
| 987 | G | 84.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.8 | -51.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L938 L989 E990 A991 | L938-G987 WeakPolarHBondContact O-CA 3.25Å; G987-L989 VanDerWaalsContact C-N 3.26Å; G987-L989 PolarHBondContact O-N 3.38Å; G987-E990 PolarHBondContact O-N 3.48Å; G987-A991 PolarHBondContact O-N 3.41Å |
| 988 | P | 87.4 | Confident | 82.2 | Confident | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.8 | -36.2 | 177.7 | -26.9 | 35.9 | 0 | 0 | 0 | 114 | I972 L976 A984 C985 A991 I992 | I972-P988 HydrophobicContact CB-CB 4.28Å; I972-P988 HydrophobicContact CD1-CB 4.03Å; I972-P988 HydrophobicContact CG1-CB 3.9Å; I972-P988 HydrophobicContact CG1-CG 4.18Å; I972-P988 HydrophobicContact CG2-CB 3.55Å; L976-P988 HydrophobicContact CD1-CB 4.24Å; L976-P988 HydrophobicContact CD2-CB 4.2Å; L976-P988 HydrophobicContact CG-CB 4.18Å; A984-P988 VanDerWaalsContact O-CD 3.3Å; A984-P988 WeakPolarHBondContact O-CD 3.47Å; A984-P988 VanDerWaalsContact O-CG 3.31Å; A984-P988 WeakPolarHBondContact O-CG 3.48Å; C985-P988 WeakPolarHBondContact O-CD 3.33Å; P988-A991 PolarHBondContact O-N 3.49Å; P988-I992 WeakPolarHBondContact O-CG1 3.32Å; P988-I992 PolarHBondContact O-N 2.98Å |
| 989 | L | 86.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.6 | -42.1 | 176 | -171.8 | 66.7 | 0 | 0 | 0 | 112.3 | C985 G987 A991 I992 N993 V1014 I1025 C1028 A1029 | C985-L989 VanDerWaalsContact O-CB 3.32Å; C985-L989 WeakPolarHBondContact O-CB 3.5Å; C985-L989 PolarHBondContact O-N 2.88Å; C985-L989 VanDerWaalsContact O-N 3.16Å; G987-L989 VanDerWaalsContact C-N 3.26Å; G987-L989 PolarHBondContact O-N 3.38Å; L989-A991 VanDerWaalsContact C-N 3.27Å; L989-A991 PolarHBondContact O-N 3.29Å; L989-I992 PolarHBondContact O-N 3.11Å; L989-N993 PolarHBondContact O-N 3.08Å; L989-V1014 HydrophobicContact CD1-CG1 4.35Å; L989-V1014 HydrophobicContact CD1-CG2 4.14Å; L989-I1025 HydrophobicContact CD2-CB 4.33Å; L989-I1025 HydrophobicContact CD2-CG2 3.61Å; L989-I1025 WeakPolarHBondContact CD2-O 3.31Å; L989-C1028 HydrophobicContact CD2-CB 3.92Å; L989-C1028 HydrophobicContact CG-CB 4.25Å; L989-A1029 HydrophobicContact CD1-CB 4.13Å; L989-A1029 HydrophobicContact CD2-CB 3.86Å |
| 990 | E | 85.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60 | -38.9 | 173.2 | 179.7 | 167.3 | -160.1 | 0 | 0 | 111.6 | I829 L830 S831 R946 H947 I986 G987 N993 C994 | I829-E990 HydrophobicContact CG2-CB 4.12Å; I829-E990 HydrophobicContact CG2-CG 3.95Å; L830-E990 PolarHBondContact N-OE1 3.24Å; S831-E990 PolarHBondContact N-OE1 2.89Å; R946-E990 IonicContact NH1-OE2 3.76Å; R946-E990 PolarHBondContact NH1-OE2 3.37Å; H947-E990 WeakPolarHBondContact CB-OE1 3.42Å; H947-E990 IonicContact CG-OE1 3.86Å; H947-E990 IonicContact ND1-OE1 3.31Å; H947-E990 PolarHBondContact ND1-OE1 3.25Å; I986-E990 WeakPolarHBondContact O-CB 3.48Å; I986-E990 PolarHBondContact O-N 3.26Å; G987-E990 PolarHBondContact O-N 3.48Å; E990-N993 PolarHBondContact O-N 3.43Å; E990-C994 PolarHBondContact O-N 3.07Å; E990-C994 PolarHBondContact O-SG 3.41Å |
| 991 | A | 87.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.1 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L938 S950 I953 F968 G987 P988 L989 C994 L995 | L938-A991 HydrophobicContact CD1-CB 4.12Å; L938-A991 HydrophobicContact CD2-CB 4.16Å; S950-A991 VanDerWaalsContact OG-CA 3.29Å; S950-A991 WeakPolarHBondContact OG-CA 3.38Å; S950-A991 WeakPolarHBondContact OG-CB 3.42Å; S950-A991 PolarHBondContact OG-N 3.46Å; I953-A991 HydrophobicContact CD1-CB 4.32Å; F968-A991 HydrophobicContact CE2-CB 3.9Å; F968-A991 HydrophobicContact CZ-CB 3.59Å; G987-A991 PolarHBondContact O-N 3.41Å; P988-A991 PolarHBondContact O-N 3.49Å; L989-A991 VanDerWaalsContact C-N 3.27Å; L989-A991 PolarHBondContact O-N 3.29Å; A991-C994 PolarHBondContact O-N 3.17Å; A991-L995 VanDerWaalsContact O-CB 3.27Å; A991-L995 WeakPolarHBondContact O-CB 3.4Å; A991-L995 PolarHBondContact O-N 3.36Å |
| 992 | I | 87.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 173.7 | -69.9 | 169.1 | 0 | 0 | 0 | 110.5 | I972 L976 P988 L989 L995 I996 L1010 V1014 | I972-I992 HydrophobicContact CG2-CD1 4.37Å; L976-I992 HydrophobicContact CD1-CD1 3.52Å; P988-I992 WeakPolarHBondContact O-CG1 3.32Å; P988-I992 PolarHBondContact O-N 2.98Å; L989-I992 PolarHBondContact O-N 3.11Å; I992-L995 WeakPolarHBondContact O-CB 3.44Å; I992-L995 PolarHBondContact O-N 3.26Å; I992-I996 HydrophobicContact CG2-CD1 3.62Å; I992-I996 HydrophobicContact CG2-CG1 4.33Å; I992-I996 WeakPolarHBondContact O-CD1 3.3Å; I992-I996 VanDerWaalsContact O-CG1 3.25Å; I992-I996 WeakPolarHBondContact O-CG1 3.11Å; I992-I996 PolarHBondContact O-N 3.41Å; I992-L1010 HydrophobicContact CD1-CD2 4.16Å; I992-L1010 HydrophobicContact CG1-CD2 4.19Å; I992-L1010 HydrophobicContact CG2-CD2 4.35Å; I992-V1014 HydrophobicContact CD1-CG2 4.39Å; I992-V1014 HydrophobicContact CG2-CG2 4.05Å |
| 993 | N | 86.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.2 | -46.8 | 179 | -165.1 | 21.7 | 0 | 0 | 0 | 111.9 | L989 E990 L995 I996 K997 E1031 | L989-N993 PolarHBondContact O-N 3.08Å; E990-N993 PolarHBondContact O-N 3.43Å; N993-L995 VanDerWaalsContact C-N 3.3Å; N993-L995 PolarHBondContact O-N 3.31Å; N993-I996 PolarHBondContact O-N 2.78Å; N993-K997 WeakPolarHBondContact O-CG 3.48Å; N993-K997 PolarHBondContact O-N 3.43Å; N993-K997 WeakPolarHBondContact OD1-CE 3.34Å; N993-E1031 PolarHBondContact ND2-OE2 3.16Å |
| 994 | C | 84.5 | Confident | 82 | Confident | 18 Ų | 18 | 21.6 Ų | 21.6 | 12% | 0.122 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.7 | -38.1 | 176.1 | -71.1 | 0 | 0 | 0 | 0 | 112.5 | S954 E990 A991 K998 | S954-C994 VanDerWaalsContact OG-CB 3.27Å; S954-C994 WeakPolarHBondContact OG-CB 3.39Å; S954-C994 PolarHBondContact OG-O 3.13Å; E990-C994 PolarHBondContact O-N 3.07Å; E990-C994 PolarHBondContact O-SG 3.41Å; A991-C994 PolarHBondContact O-N 3.17Å; C994-K998 WeakPolarHBondContact O-CB 3.45Å; C994-K998 PolarHBondContact O-N 3.29Å; C994-K998 VanDerWaalsContact O-N 3.12Å |
| 995 | L | 85.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 175.8 | -170.6 | 76.3 | 0 | 0 | 0 | 111.3 | S954 A957 L965 F968 A991 I992 N993 K998 I999 L1003 | S954-L995 PolarHBondContact OG-N 3.18Å; A957-L995 HydrophobicContact CB-CD1 3.52Å; L965-L995 HydrophobicContact CD2-CD2 3.86Å; F968-L995 HydrophobicContact CE1-CD2 4.42Å; A991-L995 VanDerWaalsContact O-CB 3.27Å; A991-L995 WeakPolarHBondContact O-CB 3.4Å; A991-L995 PolarHBondContact O-N 3.36Å; I992-L995 WeakPolarHBondContact O-CB 3.44Å; I992-L995 PolarHBondContact O-N 3.26Å; N993-L995 VanDerWaalsContact C-N 3.3Å; N993-L995 PolarHBondContact O-N 3.31Å; L995-K998 PolarHBondContact O-N 3.18Å; L995-I999 HydrophobicContact CD1-CD1 3.28Å; L995-I999 HydrophobicContact CD1-CG1 4.44Å; L995-I999 HydrophobicContact CG-CD1 3.86Å; L995-I999 WeakPolarHBondContact O-CB 3.28Å; L995-I999 PolarHBondContact O-N 3.21Å; L995-L1003 HydrophobicContact CD2-CD1 4.47Å; L995-L1003 HydrophobicContact CD2-CD2 4.01Å; L995-L1003 HydrophobicContact CG-CD1 4.18Å; L995-L1003 HydrophobicContact CG-CD2 4.2Å |
| 996 | I | 84.1 | Confident | 81.3 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.015 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.5 | -48 | 177.7 | -67.7 | 162.3 | 0 | 0 | 0 | 110.7 | I992 N993 K998 G1000 L1003 T1035 L1036 | I992-I996 HydrophobicContact CG2-CD1 3.62Å; I992-I996 HydrophobicContact CG2-CG1 4.33Å; I992-I996 WeakPolarHBondContact O-CD1 3.3Å; I992-I996 VanDerWaalsContact O-CG1 3.25Å; I992-I996 WeakPolarHBondContact O-CG1 3.11Å; I992-I996 PolarHBondContact O-N 3.41Å; N993-I996 PolarHBondContact O-N 2.78Å; I996-K998 VanDerWaalsContact C-N 3.34Å; I996-K998 PolarHBondContact O-N 2.81Å; I996-G1000 WeakPolarHBondContact O-CA 3.29Å; I996-G1000 PolarHBondContact O-N 2.91Å; I996-L1003 HydrophobicContact CB-CD1 4.47Å; I996-L1003 HydrophobicContact CG1-CD1 4.1Å; I996-T1035 HydrophobicContact CG2-CG2 3.41Å; I996-T1035 VanDerWaalsContact CG2-CG2 3.41Å; I996-L1036 HydrophobicContact CD1-CD1 3.83Å; I996-L1036 HydrophobicContact CD1-CD2 3.97Å; I996-L1036 HydrophobicContact CD1-CG 3.75Å; I996-L1036 HydrophobicContact CG1-CD2 4.12Å; I996-L1036 HydrophobicContact CG1-CG 4.4Å |
| 997 | K | 81.1 | Confident | 81.1 | Confident | 88 Ų | 88 | 21.8 Ų | 21.8 | 38% | 0.383 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -63.2 | -36.5 | -178.6 | -70.7 | -174.2 | -177.2 | -166 | 0 | 113.1 | E835 N993 E1031 | E835-K997 IonicContact OE1-NZ 3.18Å; E835-K997 PolarHBondContact OE1-NZ 2.71Å; E835-K997 IonicContact OE2-NZ 3.41Å; N993-K997 WeakPolarHBondContact O-CG 3.48Å; N993-K997 PolarHBondContact O-N 3.43Å; N993-K997 WeakPolarHBondContact OD1-CE 3.34Å; K997-E1031 WeakPolarHBondContact CE-OE1 3.49Å; K997-E1031 IonicContact NZ-OE1 3.02Å; K997-E1031 PolarHBondContact NZ-OE1 2.82Å; K997-E1031 IonicContact NZ-OE2 3.24Å |
| 998 | K | 79 | Confident | 80.7 | Confident | 112 Ų | 112 | 24.4 Ų | 24.4 | 49% | 0.487 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -83.1 | -39 | -177.1 | -176.4 | 162 | 173.6 | 169.4 | 0 | 113.7 | S954 C994 L995 I996 | S954-K998 WeakPolarHBondContact O-CD 3.16Å; C994-K998 WeakPolarHBondContact O-CB 3.45Å; C994-K998 PolarHBondContact O-N 3.29Å; C994-K998 VanDerWaalsContact O-N 3.12Å; L995-K998 PolarHBondContact O-N 3.18Å; I996-K998 VanDerWaalsContact C-N 3.34Å; I996-K998 PolarHBondContact O-N 2.81Å |
| 999 | I | 80.6 | Confident | 80.5 | Confident | 18 Ų | 18 | 24.3 Ų | 24.3 | 9% | 0.092 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -98.4 | -31.8 | -170.3 | -59.6 | 173.2 | 0 | 0 | 0 | 111.8 | A957 L961 L995 P1001 H1002 L1003 | A957-I999 HydrophobicContact CB-CD1 3.54Å; L961-I999 HydrophobicContact CD1-CD1 3.74Å; L961-I999 HydrophobicContact CD1-CG2 4.12Å; L995-I999 HydrophobicContact CD1-CD1 3.28Å; L995-I999 HydrophobicContact CD1-CG1 4.44Å; L995-I999 HydrophobicContact CG-CD1 3.86Å; L995-I999 WeakPolarHBondContact O-CB 3.28Å; L995-I999 PolarHBondContact O-N 3.21Å; I999-P1001 WeakPolarHBondContact O-CD 3.34Å; I999-H1002 HydrophobicContact CG2-CB 3.71Å; I999-H1002 PolarHBondContact O-ND1 3.49Å; I999-L1003 HydrophobicContact CB-CD1 4.14Å; I999-L1003 HydrophobicContact CB-CG 4.02Å; I999-L1003 HydrophobicContact CD1-CD2 4.41Å; I999-L1003 HydrophobicContact CG2-CD1 4.42Å; I999-L1003 HydrophobicContact CG2-CD2 4.26Å; I999-L1003 HydrophobicContact CG2-CG 3.76Å |
| 1000 | G | 77.3 | Confident | 80.4 | Confident | 17 Ų | 17 | 24.3 Ų | 24.3 | 18% | 0.175 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | 55.2 | -121.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I996 H1002 L1003 L1039 | I996-G1000 WeakPolarHBondContact O-CA 3.29Å; I996-G1000 PolarHBondContact O-N 2.91Å; G1000-H1002 VanDerWaalsContact C-N 3.26Å; G1000-H1002 PolarHBondContact O-N 3.33Å; G1000-L1003 PolarHBondContact O-N 3.49Å; G1000-L1039 WeakPolarHBondContact O-CD1 3.34Å |
| 1001 | P | 72.6 | Confident | 80.2 | Confident | 32 Ų | 32 | 24.3 Ų | 24.3 | 21% | 0.208 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -66.5 | -20.5 | -169.4 | 27.8 | -35.2 | 0 | 0 | 0 | 114.7 | V28 L29 L32 I999 L1003 A1004 L1039 L1042 | V28-P1001 HydrophobicContact CG1-CG 4.06Å; L29-P1001 HydrophobicContact CD2-CB 4.25Å; L32-P1001 HydrophobicContact CD1-CB 3.84Å; I999-P1001 WeakPolarHBondContact O-CD 3.34Å; P1001-L1003 PolarHBondContact O-N 2.84Å; P1001-A1004 WeakPolarHBondContact O-CB 3.32Å; P1001-A1004 PolarHBondContact O-N 3.32Å; P1001-A1004 VanDerWaalsContact O-N 3.14Å; P1001-L1039 HydrophobicContact CB-CD2 4.19Å; P1001-L1042 HydrophobicContact CB-CD1 4.46Å |
| 1002 | H | 75.5 | Confident | 79.8 | Confident | 129 Ų | 129 | 24.3 Ų | 24.3 | 60% | 0.597 | 12% | 0.124 | S | C | * | . | G | 310 helix | trans | -69.4 | -11.4 | 178 | -55.8 | 87.3 | 0 | 0 | 0 | 113.1 | L961 I999 G1000 A1004 | L961-H1002 HydrophobicContact CD2-CB 4.31Å; I999-H1002 HydrophobicContact CG2-CB 3.71Å; I999-H1002 PolarHBondContact O-ND1 3.49Å; G1000-H1002 VanDerWaalsContact C-N 3.26Å; G1000-H1002 PolarHBondContact O-N 3.33Å; H1002-A1004 PolarHBondContact O-N 3.32Å |
| 1003 | L | 76.8 | Confident | 79.5 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -77.1 | 2 | 171.7 | -71.9 | 168.6 | 0 | 0 | 0 | 113.8 | L961 L965 L995 I996 I999 G1000 P1001 G1005 V1006 T1007 | L961-L1003 HydrophobicContact CD1-CD2 4.25Å; L965-L1003 HydrophobicContact CD1-CD2 4.39Å; L965-L1003 HydrophobicContact CD2-CD2 4.23Å; L995-L1003 HydrophobicContact CD2-CD1 4.47Å; L995-L1003 HydrophobicContact CD2-CD2 4.01Å; L995-L1003 HydrophobicContact CG-CD1 4.18Å; L995-L1003 HydrophobicContact CG-CD2 4.2Å; I996-L1003 HydrophobicContact CB-CD1 4.47Å; I996-L1003 HydrophobicContact CG1-CD1 4.1Å; I999-L1003 HydrophobicContact CB-CD1 4.14Å; I999-L1003 HydrophobicContact CB-CG 4.02Å; I999-L1003 HydrophobicContact CD1-CD2 4.41Å; I999-L1003 HydrophobicContact CG2-CD1 4.42Å; I999-L1003 HydrophobicContact CG2-CD2 4.26Å; I999-L1003 HydrophobicContact CG2-CG 3.76Å; G1000-L1003 PolarHBondContact O-N 3.49Å; P1001-L1003 PolarHBondContact O-N 2.84Å; L1003-G1005 PolarHBondContact O-N 3.03Å; L1003-V1006 HydrophobicContact CB-CG2 4.42Å; L1003-V1006 HydrophobicContact CD2-CG2 4Å; L1003-V1006 WeakPolarHBondContact O-CG2 3.3Å; L1003-V1006 PolarHBondContact O-N 3.47Å; L1003-T1007 PolarHBondContact O-N 2.85Å; L1003-T1007 PolarHBondContact O-OG1 2.88Å; L1003-T1007 VanDerWaalsContact O-OG1 3.12Å |
| 1004 | A | 71.4 | Confident | 79.4 | Confident | 14 Ų | 14 | 24.3 Ų | 24.3 | 12% | 0.116 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -46.6 | -39 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1001 H1002 V1006 T1007 L1042 E1043 | P1001-A1004 WeakPolarHBondContact O-CB 3.32Å; P1001-A1004 PolarHBondContact O-N 3.32Å; P1001-A1004 VanDerWaalsContact O-N 3.14Å; H1002-A1004 PolarHBondContact O-N 3.32Å; A1004-V1006 VanDerWaalsContact C-N 3.28Å; A1004-V1006 PolarHBondContact O-N 3.45Å; A1004-T1007 WeakPolarHBondContact CA-OG1 3.36Å; A1004-T1007 PolarHBondContact O-OG1 3.2Å; A1004-L1042 HydrophobicContact CB-CB 4.11Å; A1004-E1043 WeakPolarHBondContact O-CB 3.34Å; A1004-E1043 VanDerWaalsContact O-CD 3.29Å; A1004-E1043 WeakPolarHBondContact O-CG 3.35Å |
| 1005 | G | 71.4 | Confident | 79.1 | Confident | 14 Ų | 14 | 23.7 Ų | 23.7 | 14% | 0.144 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -68.3 | -15.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L1003 R1060 | L1003-G1005 PolarHBondContact O-N 3.03Å; G1005-R1060 PolarHBondContact O-NE 3.47Å |
| 1006 | V | 78.1 | Confident | 78.6 | Confident | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.024 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -122.3 | 6.3 | -179.3 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | L965 L969 L1003 A1004 R1008 V1009 L1010 L1052 | L965-V1006 HydrophobicContact CD1-CG1 4.29Å; L965-V1006 HydrophobicContact CD1-CG2 4.1Å; L969-V1006 HydrophobicContact CD1-CB 4.42Å; L969-V1006 HydrophobicContact CD1-CG1 4.29Å; L1003-V1006 HydrophobicContact CB-CG2 4.42Å; L1003-V1006 HydrophobicContact CD2-CG2 4Å; L1003-V1006 WeakPolarHBondContact O-CG2 3.3Å; L1003-V1006 PolarHBondContact O-N 3.47Å; A1004-V1006 VanDerWaalsContact C-N 3.28Å; A1004-V1006 PolarHBondContact O-N 3.45Å; V1006-R1008 PolarHBondContact O-N 2.95Å; V1006-V1009 PolarHBondContact O-N 3.39Å; V1006-V1009 VanDerWaalsContact O-N 3.16Å; V1006-L1010 HydrophobicContact CG2-CD1 3.95Å; V1006-L1010 HydrophobicContact CG2-CG 4.46Å; V1006-L1010 PolarHBondContact O-N 3.3Å; V1006-L1052 HydrophobicContact CG1-CD1 4.27Å; V1006-L1052 HydrophobicContact CG1-CD2 4.07Å |
| 1007 | T | 79.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.6 | -49 | -173.1 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | L1003 A1004 V1009 L1010 A1011 L1036 L1039 M1040 | L1003-T1007 PolarHBondContact O-N 2.85Å; L1003-T1007 PolarHBondContact O-OG1 2.88Å; L1003-T1007 VanDerWaalsContact O-OG1 3.12Å; A1004-T1007 WeakPolarHBondContact CA-OG1 3.36Å; A1004-T1007 PolarHBondContact O-OG1 3.2Å; T1007-V1009 VanDerWaalsContact C-N 3.34Å; T1007-V1009 PolarHBondContact O-N 2.87Å; T1007-L1010 PolarHBondContact O-N 3.27Å; T1007-A1011 WeakPolarHBondContact O-CB 3.39Å; T1007-A1011 PolarHBondContact O-N 3.25Å; T1007-L1036 HydrophobicContact CG2-CB 4.04Å; T1007-L1036 HydrophobicContact CG2-CD2 3.92Å; T1007-L1036 WeakPolarHBondContact CG2-O 3.4Å; T1007-L1039 HydrophobicContact CG2-CB 4.21Å; T1007-M1040 HydrophobicContact CG2-CB 4.19Å |
| 1008 | R | 77.3 | Confident | 78.2 | Confident | 56 Ų | 56 | 22.2 Ų | 22.2 | 21% | 0.211 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61 | -38.5 | 177.2 | -76.2 | 162.6 | -164.4 | -157.4 | 3.3 | 113.4 | V1006 S1012 M1040 E1043 F1067 | V1006-R1008 PolarHBondContact O-N 2.95Å; R1008-S1012 WeakPolarHBondContact O-CB 3.37Å; R1008-S1012 PolarHBondContact O-N 3.37Å; R1008-M1040 HydrophobicContact CG-CG 4.12Å; R1008-M1040 HydrophobicContact CG-SD 4.45Å; R1008-E1043 WeakPolarHBondContact CB-OE2 3.28Å; R1008-E1043 VanDerWaalsContact CD-OE2 3.28Å; R1008-E1043 WeakPolarHBondContact CD-OE2 3.36Å; R1008-E1043 WeakPolarHBondContact CG-OE2 3.42Å; R1008-E1043 PolarHBondContact N-OE2 3Å; R1008-E1043 IonicContact NE-OE2 3.59Å; R1008-E1043 PolarHBondContact NE-OE2 3.36Å; R1008-F1067 HydrophobicContact CB-CD2 4.12Å; R1008-F1067 HydrophobicContact CB-CE2 4.29Å; R1008-F1067 HydrophobicContact CG-CD2 3.92Å; R1008-F1067 HydrophobicContact CG-CE2 4.46Å; R1008-F1067 WeakPolarHBondContact O-CE2 3.24Å |
| 1009 | V | 82 | Confident | 77.7 | Confident | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.018 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66 | -46.4 | 179.8 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | L973 V1006 T1007 S1013 L1056 R1059 R1060 | L973-V1009 HydrophobicContact CD1-CG1 3.46Å; L973-V1009 VanDerWaalsContact CD1-CG1 3.46Å; L973-V1009 HydrophobicContact CD2-CG1 4.31Å; V1006-V1009 PolarHBondContact O-N 3.39Å; V1006-V1009 VanDerWaalsContact O-N 3.16Å; T1007-V1009 VanDerWaalsContact C-N 3.34Å; T1007-V1009 PolarHBondContact O-N 2.87Å; V1009-S1013 PolarHBondContact O-N 2.74Å; V1009-S1013 PolarHBondContact O-OG 3.02Å; V1009-L1056 HydrophobicContact CG1-CD2 4.33Å; V1009-R1059 HydrophobicContact CG1-CB 4.27Å; V1009-R1059 HydrophobicContact CG2-CB 4.33Å; V1009-R1060 VanDerWaalsContact CG2-CA 3.48Å; V1009-R1060 HydrophobicContact CG2-CB 3.64Å; V1009-R1060 HydrophobicContact CG2-CG 4.26Å |
| 1010 | L | 85.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.5 | -48.3 | 176 | -69.3 | 176.5 | 0 | 0 | 0 | 111.2 | L969 L973 I992 V1006 T1007 S1012 S1013 V1014 L1036 | L969-L1010 HydrophobicContact CD2-CD2 3.61Å; L973-L1010 HydrophobicContact CD2-CD2 4.31Å; I992-L1010 HydrophobicContact CD1-CD2 4.16Å; I992-L1010 HydrophobicContact CG1-CD2 4.19Å; I992-L1010 HydrophobicContact CG2-CD2 4.35Å; V1006-L1010 HydrophobicContact CG2-CD1 3.95Å; V1006-L1010 HydrophobicContact CG2-CG 4.46Å; V1006-L1010 PolarHBondContact O-N 3.3Å; T1007-L1010 PolarHBondContact O-N 3.27Å; L1010-S1012 VanDerWaalsContact C-N 3.31Å; L1010-S1012 PolarHBondContact O-N 3.34Å; L1010-S1013 PolarHBondContact O-N 2.87Å; L1010-S1013 VanDerWaalsContact O-N 3.08Å; L1010-V1014 WeakPolarHBondContact O-CB 3.47Å; L1010-V1014 VanDerWaalsContact O-CG2 3.28Å; L1010-V1014 WeakPolarHBondContact O-CG2 3.37Å; L1010-V1014 PolarHBondContact O-N 2.81Å; L1010-L1036 HydrophobicContact CB-CD1 3.79Å; L1010-L1036 HydrophobicContact CB-CD2 4.12Å; L1010-L1036 HydrophobicContact CD1-CD2 4.22Å |
| 1011 | A | 81.4 | Confident | 77 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.4 | -43.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1007 S1013 L1015 F1033 L1036 M1040 F1067 | T1007-A1011 WeakPolarHBondContact O-CB 3.39Å; T1007-A1011 PolarHBondContact O-N 3.25Å; A1011-S1013 VanDerWaalsContact C-N 3.35Å; A1011-S1013 PolarHBondContact O-N 3.44Å; A1011-L1015 WeakPolarHBondContact O-CB 3.49Å; A1011-L1015 PolarHBondContact O-N 3.14Å; A1011-F1033 HydrophobicContact CB-CD2 4.21Å; A1011-F1033 HydrophobicContact CB-CE2 4.14Å; A1011-L1036 HydrophobicContact CB-CB 4.16Å; A1011-L1036 HydrophobicContact CB-CD1 4.26Å; A1011-M1040 HydrophobicContact CB-CE 4.12Å; A1011-F1067 HydrophobicContact CB-CE1 4.38Å; A1011-F1067 HydrophobicContact CB-CE2 4.02Å; A1011-F1067 HydrophobicContact CB-CZ 3.53Å |
| 1012 | S | 78 | Confident | 77.2 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.2 | -36.3 | 177.5 | -175.8 | 0 | 0 | 0 | 0 | 113.4 | R1008 L1010 C1016 R1063 | R1008-S1012 WeakPolarHBondContact O-CB 3.37Å; R1008-S1012 PolarHBondContact O-N 3.37Å; L1010-S1012 VanDerWaalsContact C-N 3.31Å; L1010-S1012 PolarHBondContact O-N 3.34Å; S1012-C1016 PolarHBondContact O-SG 3.16Å; S1012-C1016 VanDerWaalsContact O-SG 3.35Å; S1012-R1063 WeakPolarHBondContact OG-CD 3.35Å; S1012-R1063 PolarHBondContact OG-NE 3.03Å; S1012-R1063 PolarHBondContact OG-NH1 3.33Å |
| 1013 | S | 81.3 | Confident | 77.2 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -75.3 | -37.9 | -178.3 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | L973 V1009 L1010 A1011 | L973-S1013 WeakPolarHBondContact CD2-OG 3.3Å; V1009-S1013 PolarHBondContact O-N 2.74Å; V1009-S1013 PolarHBondContact O-OG 3.02Å; L1010-S1013 PolarHBondContact O-N 2.87Å; L1010-S1013 VanDerWaalsContact O-N 3.08Å; A1011-S1013 VanDerWaalsContact C-N 3.35Å; A1011-S1013 PolarHBondContact O-N 3.44Å |
| 1014 | V | 84.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.4 | -39.2 | 174.4 | 174 | 0 | 0 | 0 | 0 | 111.2 | L989 I992 L1010 C1016 K1017 M1018 A1029 F1033 L1036 | L989-V1014 HydrophobicContact CD1-CG1 4.35Å; L989-V1014 HydrophobicContact CD1-CG2 4.14Å; I992-V1014 HydrophobicContact CD1-CG2 4.39Å; I992-V1014 HydrophobicContact CG2-CG2 4.05Å; L1010-V1014 WeakPolarHBondContact O-CB 3.47Å; L1010-V1014 VanDerWaalsContact O-CG2 3.28Å; L1010-V1014 WeakPolarHBondContact O-CG2 3.37Å; L1010-V1014 PolarHBondContact O-N 2.81Å; V1014-C1016 VanDerWaalsContact C-N 3.25Å; V1014-C1016 PolarHBondContact O-N 3.45Å; V1014-K1017 WeakPolarHBondContact O-CA 3.45Å; V1014-K1017 PolarHBondContact O-N 3.04Å; V1014-M1018 PolarHBondContact O-N 3.48Å; V1014-A1029 HydrophobicContact CG1-CB 3.83Å; V1014-A1029 WeakPolarHBondContact CG1-O 3.39Å; V1014-F1033 HydrophobicContact CG1-CB 3.96Å; V1014-L1036 HydrophobicContact CG2-CD1 4.35Å |
| 1015 | L | 79 | Confident | 77.6 | Confident | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.3 | -41.1 | 179 | -178.4 | 64.4 | 0 | 0 | 0 | 112.2 | A1011 K1017 M1018 F1033 L1108 | A1011-L1015 WeakPolarHBondContact O-CB 3.49Å; A1011-L1015 PolarHBondContact O-N 3.14Å; L1015-K1017 PolarHBondContact O-N 3.12Å; L1015-K1017 VanDerWaalsContact O-N 3.12Å; L1015-M1018 HydrophobicContact CD1-SD 3.7Å; L1015-M1018 PolarHBondContact O-N 3.01Å; L1015-F1033 HydrophobicContact CB-CD2 4.21Å; L1015-F1033 HydrophobicContact CB-CE2 4.03Å; L1015-F1033 HydrophobicContact CD1-CD2 4.34Å; L1015-F1033 HydrophobicContact CD1-CE2 3.85Å; L1015-F1033 HydrophobicContact CD1-CZ 3.94Å; L1015-F1033 HydrophobicContact CG-CE2 4.35Å; L1015-L1108 HydrophobicContact CD1-CD2 3.52Å; L1015-L1108 HydrophobicContact CD2-CD1 4.28Å; L1015-L1108 HydrophobicContact CD2-CD2 4.08Å; L1015-L1108 HydrophobicContact CG-CD2 3.71Å |
| 1016 | C | 75.9 | Confident | 78 | Confident | 46 Ų | 46 | 24.2 Ų | 24.2 | 31% | 0.311 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -14.8 | 177.7 | -60.5 | 0 | 0 | 0 | 0 | 113.7 | S1012 V1014 | S1012-C1016 PolarHBondContact O-SG 3.16Å; S1012-C1016 VanDerWaalsContact O-SG 3.35Å; V1014-C1016 VanDerWaalsContact C-N 3.25Å; V1014-C1016 PolarHBondContact O-N 3.45Å |
| 1017 | K | 79.4 | Confident | 78 | Confident | 13 Ų | 13 | 25.5 Ų | 25.5 | 6% | 0.057 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | -3.7 | 179.1 | -62.8 | -55.1 | -177.4 | -155.6 | 0 | 114.4 | L976 S979 C985 V1014 L1015 T1019 F1020 I1025 A1029 | L976-K1017 HydrophobicContact CD2-CG 4.37Å; L976-K1017 WeakPolarHBondContact O-CE 3.04Å; L976-K1017 PolarHBondContact O-NZ 3.4Å; S979-K1017 PolarHBondContact O-NZ 2.95Å; C985-K1017 WeakPolarHBondContact SG-CE 3.34Å; V1014-K1017 WeakPolarHBondContact O-CA 3.45Å; V1014-K1017 PolarHBondContact O-N 3.04Å; L1015-K1017 PolarHBondContact O-N 3.12Å; L1015-K1017 VanDerWaalsContact O-N 3.12Å; K1017-T1019 PolarHBondContact O-N 3.5Å; K1017-F1020 HydrophobicContact CD-CD2 3.8Å; K1017-F1020 HydrophobicContact CD-CE2 4.44Å; K1017-F1020 HydrophobicContact CD-CG 4.43Å; K1017-F1020 WeakPolarHBondContact O-CB 3.43Å; K1017-F1020 PolarHBondContact O-N 2.89Å; K1017-I1025 HydrophobicContact CB-CG2 4.4Å; K1017-A1029 HydrophobicContact CB-CB 4Å |
| 1018 | M | 76.5 | Confident | 78 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -16.4 | 174.5 | -68.3 | 175 | 51.6 | 0 | 0 | 113.2 | V1014 L1015 R1026 A1029 F1033 M1263 Y1266 | V1014-M1018 PolarHBondContact O-N 3.48Å; L1015-M1018 HydrophobicContact CD1-SD 3.7Å; L1015-M1018 PolarHBondContact O-N 3.01Å; M1018-R1026 WeakPolarHBondContact O-CD 3.49Å; M1018-R1026 WeakPolarHBondContact O-CG 3.41Å; M1018-A1029 HydrophobicContact CG-CB 4.04Å; M1018-F1033 HydrophobicContact CE-CD1 4.23Å; M1018-F1033 HydrophobicContact SD-CB 3.69Å; M1018-F1033 HydrophobicContact SD-CD1 3.76Å; M1018-F1033 HydrophobicContact SD-CD2 4.07Å; M1018-F1033 HydrophobicContact SD-CE1 4.37Å; M1018-F1033 HydrophobicContact SD-CG 3.56Å; M1018-F1033 VanDerWaalsContact SD-CG 3.56Å; M1018-M1263 HydrophobicContact CE-CE 4.4Å; M1018-M1263 HydrophobicContact CE-SD 3.72Å; M1018-Y1266 HydrophobicContact CE-CD2 3.28Å; M1018-Y1266 HydrophobicContact CE-CE2 3.45Å; M1018-Y1266 VanDerWaalsContact CE-CE2 3.45Å; M1018-Y1266 HydrophobicContact CE-CG 4.24Å |
| 1019 | T | 69.4 | Low | 78.3 | Confident | 46 Ų | 46 | 22.8 Ų | 22.8 | 28% | 0.282 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 10.1 | 176.2 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | K1017 S1107 H1109 | K1017-T1019 PolarHBondContact O-N 3.5Å; T1019-S1107 WeakPolarHBondContact CG2-O 3.4Å; T1019-H1109 WeakPolarHBondContact CG2-NE2 3.4Å |
| 1020 | F | 75.8 | Confident | 78.2 | Confident | 16 Ų | 16 | 22.7 Ų | 22.7 | 7% | 0.07 | 13% | 0.131 | C | C | . | . | trans | -64.2 | 140 | -175.8 | -162.5 | -96 | 0 | 0 | 0 | 111.1 | E980 V982 K1017 H1022 I1025 R1026 | E980-F1020 VanDerWaalsContact O-CZ 3.29Å; E980-F1020 WeakPolarHBondContact O-CZ 3.3Å; V982-F1020 HydrophobicContact CG2-CE1 4.05Å; V982-F1020 HydrophobicContact CG2-CZ 4.21Å; K1017-F1020 HydrophobicContact CD-CD2 3.8Å; K1017-F1020 HydrophobicContact CD-CE2 4.44Å; K1017-F1020 HydrophobicContact CD-CG 4.43Å; K1017-F1020 WeakPolarHBondContact O-CB 3.43Å; K1017-F1020 PolarHBondContact O-N 2.89Å; F1020-H1022 HydrophobicContact CD1-CB 3.55Å; F1020-H1022 HydrophobicContact CE1-CB 3.59Å; F1020-H1022 PolarHBondContact O-N 3.47Å; F1020-I1025 HydrophobicContact CB-CG2 4.07Å; F1020-I1025 HydrophobicContact CD1-CB 3.93Å; F1020-I1025 HydrophobicContact CD1-CD1 3.83Å; F1020-I1025 HydrophobicContact CD1-CG1 4.46Å; F1020-I1025 HydrophobicContact CD1-CG2 3.79Å; F1020-I1025 HydrophobicContact CE1-CD1 3.54Å; F1020-I1025 HydrophobicContact CE1-CG2 4.46Å; F1020-I1025 HydrophobicContact CG-CG2 3.98Å; F1020-I1025 HydrophobicContact CZ-CD1 4.29Å; F1020-R1026 PolarHBondContact O-NH1 3.08Å; F1020-R1026 VanDerWaalsContact O-NH1 3.13Å | ||
| 1021 | P | 67.3 | Low | 77.8 | Confident | 117 Ų | 117 | 25 Ų | 25 | 76% | 0.76 | 14% | 0.142 | S | C | * | . | S | Bend | trans | -57.4 | -35.4 | -176.7 | -27.1 | 34.5 | 0 | 0 | 0 | 113.5 | A1023 R1026 | P1021-A1023 PolarHBondContact O-N 2.84Å; P1021-R1026 PolarHBondContact O-NH1 2.69Å |
| 1022 | H | 76.1 | Confident | 77.8 | Confident | 41 Ų | 41 | 25 Ų | 25 | 19% | 0.19 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -74.4 | 117.9 | -178 | -166.6 | -83.6 | 0 | 0 | 0 | 112.7 | T827 F1020 K1024 I1025 R1026 | T827-H1022 VanDerWaalsContact CB-NE2 3.27Å; T827-H1022 WeakPolarHBondContact CB-NE2 3.39Å; T827-H1022 WeakPolarHBondContact CG2-NE2 3.41Å; T827-H1022 PolarHBondContact O-CE1 2.87Å; F1020-H1022 HydrophobicContact CD1-CB 3.55Å; F1020-H1022 HydrophobicContact CE1-CB 3.59Å; F1020-H1022 PolarHBondContact O-N 3.47Å; H1022-K1024 PolarHBondContact ND1-N 2.85Å; H1022-K1024 PolarHBondContact O-N 2.93Å; H1022-I1025 HydrophobicContact CB-CB 4.27Å; H1022-I1025 HydrophobicContact CB-CD1 4.03Å; H1022-I1025 HydrophobicContact CB-CG1 4.25Å; H1022-I1025 PolarHBondContact O-N 2.89Å; H1022-R1026 PolarHBondContact O-N 2.91Å |
| 1023 | A | 74.7 | Confident | 78.1 | Confident | 57 Ų | 57 | 25.2 Ų | 25.2 | 47% | 0.471 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -56.2 | -43.3 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | P1021 R1026 E1027 | P1021-A1023 PolarHBondContact O-N 2.84Å; A1023-R1026 PolarHBondContact O-N 2.87Å; A1023-E1027 WeakPolarHBondContact O-CB 3.24Å; A1023-E1027 PolarHBondContact O-N 3.25Å |
| 1024 | K | 77.6 | Confident | 77.7 | Confident | 63 Ų | 63 | 25.6 Ų | 25.6 | 27% | 0.274 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -70.9 | -34.9 | -179.4 | -67.2 | -69.8 | 172.7 | -167.3 | 0 | 114 | I829 H1022 R1026 E1027 C1028 | I829-K1024 HydrophobicContact CD1-CB 4.19Å; I829-K1024 VanDerWaalsContact CD1-O 3.28Å; I829-K1024 WeakPolarHBondContact CD1-O 3.26Å; I829-K1024 HydrophobicContact CG1-CB 4.34Å; H1022-K1024 PolarHBondContact ND1-N 2.85Å; H1022-K1024 PolarHBondContact O-N 2.93Å; K1024-R1026 VanDerWaalsContact C-N 3.33Å; K1024-E1027 WeakPolarHBondContact CD-OE2 3.35Å; K1024-E1027 IonicContact NZ-OE2 3.26Å; K1024-E1027 PolarHBondContact NZ-OE2 2.97Å; K1024-E1027 PolarHBondContact O-N 2.97Å; K1024-C1028 WeakPolarHBondContact O-CB 3.49Å; K1024-C1028 PolarHBondContact O-N 3.03Å |
| 1025 | I | 80.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.7 | -45.2 | 176.4 | -69.6 | 176.6 | 0 | 0 | 0 | 108.2 | V982 C985 I986 L989 K1017 F1020 H1022 E1027 C1028 A1029 | V982-I1025 HydrophobicContact CG1-CD1 3.76Å; C985-I1025 HydrophobicContact CB-CD1 4.29Å; I986-I1025 HydrophobicContact CB-CD1 3.92Å; I986-I1025 HydrophobicContact CB-CG1 4.06Å; I986-I1025 HydrophobicContact CD1-CG1 4.32Å; I986-I1025 HydrophobicContact CG1-CD1 4.33Å; I986-I1025 HydrophobicContact CG1-CG1 3.96Å; L989-I1025 HydrophobicContact CD2-CB 4.33Å; L989-I1025 HydrophobicContact CD2-CG2 3.61Å; L989-I1025 WeakPolarHBondContact CD2-O 3.31Å; K1017-I1025 HydrophobicContact CB-CG2 4.4Å; F1020-I1025 HydrophobicContact CB-CG2 4.07Å; F1020-I1025 HydrophobicContact CD1-CB 3.93Å; F1020-I1025 HydrophobicContact CD1-CD1 3.83Å; F1020-I1025 HydrophobicContact CD1-CG1 4.46Å; F1020-I1025 HydrophobicContact CD1-CG2 3.79Å; F1020-I1025 HydrophobicContact CE1-CD1 3.54Å; F1020-I1025 HydrophobicContact CE1-CG2 4.46Å; F1020-I1025 HydrophobicContact CG-CG2 3.98Å; F1020-I1025 HydrophobicContact CZ-CD1 4.29Å; H1022-I1025 HydrophobicContact CB-CB 4.27Å; H1022-I1025 HydrophobicContact CB-CD1 4.03Å; H1022-I1025 HydrophobicContact CB-CG1 4.25Å; H1022-I1025 PolarHBondContact O-N 2.89Å; I1025-E1027 PolarHBondContact O-N 3.1Å; I1025-C1028 PolarHBondContact O-N 3.41Å; I1025-A1029 WeakPolarHBondContact O-CB 3.43Å; I1025-A1029 PolarHBondContact O-N 3.39Å |
| 1026 | R | 79.8 | Confident | 77.3 | Confident | 39 Ų | 39 | 27.6 Ų | 27.6 | 15% | 0.147 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.1 | -48 | 175 | -179.9 | 169.2 | 70.9 | -109.1 | -2.5 | 112.5 | M1018 F1020 P1021 H1022 A1023 K1024 C1028 A1029 C1030 P1264 | M1018-R1026 WeakPolarHBondContact O-CD 3.49Å; M1018-R1026 WeakPolarHBondContact O-CG 3.41Å; F1020-R1026 PolarHBondContact O-NH1 3.08Å; F1020-R1026 VanDerWaalsContact O-NH1 3.13Å; P1021-R1026 PolarHBondContact O-NH1 2.69Å; H1022-R1026 PolarHBondContact O-N 2.91Å; A1023-R1026 PolarHBondContact O-N 2.87Å; K1024-R1026 VanDerWaalsContact C-N 3.33Å; R1026-C1028 PolarHBondContact O-N 2.94Å; R1026-A1029 PolarHBondContact O-N 2.92Å; R1026-C1030 WeakPolarHBondContact O-CB 3.31Å; R1026-C1030 PolarHBondContact O-N 3.5Å; R1026-C1030 PolarHBondContact O-SG 2.85Å; R1026-P1264 WeakPolarHBondContact CD-O 3.48Å; R1026-P1264 VanDerWaalsContact CG-O 3.3Å; R1026-P1264 WeakPolarHBondContact CG-O 3.39Å; R1026-P1264 PolarHBondContact NE-O 2.91Å |
| 1027 | E | 76.8 | Confident | 77.2 | Confident | 31 Ų | 31 | 27.3 Ų | 27.3 | 15% | 0.145 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.2 | -47.7 | 177.1 | -172.4 | 178.1 | -170.9 | 0 | 0 | 111.8 | L832 A1023 K1024 I1025 A1029 C1030 E1031 | L832-E1027 HydrophobicContact CD1-CB 4.22Å; L832-E1027 HydrophobicContact CD1-CG 4.04Å; A1023-E1027 WeakPolarHBondContact O-CB 3.24Å; A1023-E1027 PolarHBondContact O-N 3.25Å; K1024-E1027 WeakPolarHBondContact CD-OE2 3.35Å; K1024-E1027 IonicContact NZ-OE2 3.26Å; K1024-E1027 PolarHBondContact NZ-OE2 2.97Å; K1024-E1027 PolarHBondContact O-N 2.97Å; I1025-E1027 PolarHBondContact O-N 3.1Å; E1027-A1029 PolarHBondContact O-N 3.05Å; E1027-C1030 PolarHBondContact O-N 3.49Å; E1027-E1031 PolarHBondContact O-N 2.94Å |
| 1028 | C | 80.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.4 | -37.4 | 178.5 | -171 | 0 | 0 | 0 | 0 | 112.8 | I829 L832 L989 K1024 I1025 R1026 S1032 | I829-C1028 HydrophobicContact CD1-CB 3.58Å; L832-C1028 HydrophobicContact CD1-CB 3.98Å; L989-C1028 HydrophobicContact CD2-CB 3.92Å; L989-C1028 HydrophobicContact CG-CB 4.25Å; K1024-C1028 WeakPolarHBondContact O-CB 3.49Å; K1024-C1028 PolarHBondContact O-N 3.03Å; I1025-C1028 PolarHBondContact O-N 3.41Å; R1026-C1028 PolarHBondContact O-N 2.94Å; C1028-S1032 VanDerWaalsContact O-CB 3.3Å; C1028-S1032 WeakPolarHBondContact O-CB 3.24Å; C1028-S1032 PolarHBondContact O-N 2.91Å; C1028-S1032 PolarHBondContact O-OG 3.27Å |
| 1029 | A | 83.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.2 | -44.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | L989 V1014 K1017 M1018 I1025 R1026 E1027 S1032 F1033 | L989-A1029 HydrophobicContact CD1-CB 4.13Å; L989-A1029 HydrophobicContact CD2-CB 3.86Å; V1014-A1029 HydrophobicContact CG1-CB 3.83Å; V1014-A1029 WeakPolarHBondContact CG1-O 3.39Å; K1017-A1029 HydrophobicContact CB-CB 4Å; M1018-A1029 HydrophobicContact CG-CB 4.04Å; I1025-A1029 WeakPolarHBondContact O-CB 3.43Å; I1025-A1029 PolarHBondContact O-N 3.39Å; R1026-A1029 PolarHBondContact O-N 2.92Å; E1027-A1029 PolarHBondContact O-N 3.05Å; A1029-S1032 PolarHBondContact O-N 2.82Å; A1029-F1033 VanDerWaalsContact O-CB 3.27Å; A1029-F1033 WeakPolarHBondContact O-CB 3.31Å; A1029-F1033 PolarHBondContact O-N 3Å |
| 1030 | C | 78.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.4 | -48.8 | 175.1 | -74.5 | 0 | 0 | 0 | 0 | 112.1 | R1026 E1027 S1032 F1033 C1034 Y1266 | R1026-C1030 WeakPolarHBondContact O-CB 3.31Å; R1026-C1030 PolarHBondContact O-N 3.5Å; R1026-C1030 PolarHBondContact O-SG 2.85Å; E1027-C1030 PolarHBondContact O-N 3.49Å; C1030-S1032 PolarHBondContact O-N 2.83Å; C1030-F1033 PolarHBondContact O-N 3.07Å; C1030-C1034 WeakPolarHBondContact O-CB 3.46Å; C1030-C1034 PolarHBondContact O-N 3.09Å; C1030-C1034 PolarHBondContact O-SG 3.48Å; C1030-Y1266 HydrophobicContact CB-CD2 4.32Å; C1030-Y1266 VanDerWaalsContact SG-CA 3.53Å |
| 1031 | E | 78.5 | Confident | 76 | Confident | 49 Ų | 49 | 31.1 Ų | 31.1 | 23% | 0.229 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59 | -48.9 | 177 | -171.6 | -168.5 | -167.3 | 0 | 0 | 111.3 | L832 N993 K997 E1027 F1033 C1034 T1035 | L832-E1031 WeakPolarHBondContact CD2-OE2 3.43Å; N993-E1031 PolarHBondContact ND2-OE2 3.16Å; K997-E1031 WeakPolarHBondContact CE-OE1 3.49Å; K997-E1031 IonicContact NZ-OE1 3.02Å; K997-E1031 PolarHBondContact NZ-OE1 2.82Å; K997-E1031 IonicContact NZ-OE2 3.24Å; E1027-E1031 PolarHBondContact O-N 2.94Å; E1031-F1033 VanDerWaalsContact C-N 3.35Å; E1031-F1033 PolarHBondContact O-N 3.1Å; E1031-C1034 PolarHBondContact O-N 3.28Å; E1031-T1035 PolarHBondContact O-N 2.68Å; E1031-T1035 VanDerWaalsContact O-N 3.16Å; E1031-T1035 PolarHBondContact O-OG1 3.33Å |
| 1032 | S | 81 | Confident | 75.9 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 179.1 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | C1028 A1029 C1030 T1035 L1036 | C1028-S1032 VanDerWaalsContact O-CB 3.3Å; C1028-S1032 WeakPolarHBondContact O-CB 3.24Å; C1028-S1032 PolarHBondContact O-N 2.91Å; C1028-S1032 PolarHBondContact O-OG 3.27Å; A1029-S1032 PolarHBondContact O-N 2.82Å; C1030-S1032 PolarHBondContact O-N 2.83Å; S1032-T1035 PolarHBondContact O-N 3.23Å; S1032-L1036 WeakPolarHBondContact O-CB 3.43Å; S1032-L1036 WeakPolarHBondContact O-CD1 3.3Å; S1032-L1036 WeakPolarHBondContact O-CG 3.38Å; S1032-L1036 PolarHBondContact O-N 3.32Å |
| 1033 | F | 82.7 | Confident | 75.4 | Confident | 5 Ų | 5 | 23.8 Ų | 23.8 | 2% | 0.022 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.1 | -43.3 | 178.8 | -175.4 | -96.8 | 0 | 0 | 0 | 111.7 | A1011 V1014 L1015 M1018 A1029 C1030 E1031 T1035 L1036 V1037 F1067 Y1266 | A1011-F1033 HydrophobicContact CB-CD2 4.21Å; A1011-F1033 HydrophobicContact CB-CE2 4.14Å; V1014-F1033 HydrophobicContact CG1-CB 3.96Å; L1015-F1033 HydrophobicContact CB-CD2 4.21Å; L1015-F1033 HydrophobicContact CB-CE2 4.03Å; L1015-F1033 HydrophobicContact CD1-CD2 4.34Å; L1015-F1033 HydrophobicContact CD1-CE2 3.85Å; L1015-F1033 HydrophobicContact CD1-CZ 3.94Å; L1015-F1033 HydrophobicContact CG-CE2 4.35Å; M1018-F1033 HydrophobicContact CE-CD1 4.23Å; M1018-F1033 HydrophobicContact SD-CB 3.69Å; M1018-F1033 HydrophobicContact SD-CD1 3.76Å; M1018-F1033 HydrophobicContact SD-CD2 4.07Å; M1018-F1033 HydrophobicContact SD-CE1 4.37Å; M1018-F1033 HydrophobicContact SD-CG 3.56Å; M1018-F1033 VanDerWaalsContact SD-CG 3.56Å; A1029-F1033 VanDerWaalsContact O-CB 3.27Å; A1029-F1033 WeakPolarHBondContact O-CB 3.31Å; A1029-F1033 PolarHBondContact O-N 3Å; C1030-F1033 PolarHBondContact O-N 3.07Å; E1031-F1033 VanDerWaalsContact C-N 3.35Å; E1031-F1033 PolarHBondContact O-N 3.1Å; F1033-T1035 VanDerWaalsContact C-N 3.34Å; F1033-T1035 PolarHBondContact O-N 3.13Å; F1033-L1036 PolarHBondContact O-N 3.09Å; F1033-L1036 VanDerWaalsContact O-N 3.14Å; F1033-V1037 HydrophobicContact CD1-CG2 3.75Å; F1033-V1037 HydrophobicContact CD2-CG2 4.5Å; F1033-V1037 HydrophobicContact CE1-CG2 3.37Å; F1033-V1037 HydrophobicContact CE2-CG2 4.15Å; F1033-V1037 HydrophobicContact CG-CG2 4.32Å; F1033-V1037 HydrophobicContact CZ-CG2 3.58Å; F1033-V1037 WeakPolarHBondContact O-CG2 3.15Å; F1033-V1037 PolarHBondContact O-N 2.99Å; F1033-F1067 HydrophobicContact CE2-CE1 4.16Å; F1033-F1067 HydrophobicContact CE2-CZ 4.3Å; F1033-F1067 HydrophobicContact CZ-CE1 4.36Å; F1033-Y1266 AromaticContact CD1-CE2 3.98Å; F1033-Y1266 HydrophobicContact CD1-CE2 3.98Å; F1033-Y1266 HydrophobicContact CE1-CE2 4.41Å |
| 1034 | C | 74.2 | Confident | 74.6 | Confident | 9 Ų | 9 | 21.6 Ų | 21.6 | 6% | 0.061 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.7 | -45.9 | 177.1 | -76.7 | 0 | 0 | 0 | 0 | 112 | C1030 E1031 E1038 | C1030-C1034 WeakPolarHBondContact O-CB 3.46Å; C1030-C1034 PolarHBondContact O-N 3.09Å; C1030-C1034 PolarHBondContact O-SG 3.48Å; E1031-C1034 PolarHBondContact O-N 3.28Å; C1034-E1038 PolarHBondContact O-N 3.08Å |
| 1035 | T | 75.1 | Confident | 73.7 | Confident | 47 Ų | 47 | 20.9 Ų | 20.9 | 29% | 0.288 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -68.1 | -37.4 | 176.4 | -53.6 | 0 | 0 | 0 | 0 | 112.2 | I996 E1031 S1032 F1033 E1038 L1039 | I996-T1035 HydrophobicContact CG2-CG2 3.41Å; I996-T1035 VanDerWaalsContact CG2-CG2 3.41Å; E1031-T1035 PolarHBondContact O-N 2.68Å; E1031-T1035 VanDerWaalsContact O-N 3.16Å; E1031-T1035 PolarHBondContact O-OG1 3.33Å; S1032-T1035 PolarHBondContact O-N 3.23Å; F1033-T1035 VanDerWaalsContact C-N 3.34Å; F1033-T1035 PolarHBondContact O-N 3.13Å; T1035-E1038 PolarHBondContact O-N 3.08Å; T1035-L1039 WeakPolarHBondContact O-CG 3.27Å; T1035-L1039 PolarHBondContact O-N 3.32Å |
| 1036 | L | 79.3 | Confident | 72.5 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67 | -37.7 | 177.7 | -70.7 | 166.7 | 0 | 0 | 0 | 112.6 | I996 T1007 L1010 A1011 V1014 S1032 F1033 E1038 L1039 M1040 | I996-L1036 HydrophobicContact CD1-CD1 3.83Å; I996-L1036 HydrophobicContact CD1-CD2 3.97Å; I996-L1036 HydrophobicContact CD1-CG 3.75Å; I996-L1036 HydrophobicContact CG1-CD2 4.12Å; I996-L1036 HydrophobicContact CG1-CG 4.4Å; T1007-L1036 HydrophobicContact CG2-CB 4.04Å; T1007-L1036 HydrophobicContact CG2-CD2 3.92Å; T1007-L1036 WeakPolarHBondContact CG2-O 3.4Å; L1010-L1036 HydrophobicContact CB-CD1 3.79Å; L1010-L1036 HydrophobicContact CB-CD2 4.12Å; L1010-L1036 HydrophobicContact CD1-CD2 4.22Å; A1011-L1036 HydrophobicContact CB-CB 4.16Å; A1011-L1036 HydrophobicContact CB-CD1 4.26Å; V1014-L1036 HydrophobicContact CG2-CD1 4.35Å; S1032-L1036 WeakPolarHBondContact O-CB 3.43Å; S1032-L1036 WeakPolarHBondContact O-CD1 3.3Å; S1032-L1036 WeakPolarHBondContact O-CG 3.38Å; S1032-L1036 PolarHBondContact O-N 3.32Å; F1033-L1036 PolarHBondContact O-N 3.09Å; F1033-L1036 VanDerWaalsContact O-N 3.14Å; L1036-E1038 VanDerWaalsContact C-N 3.28Å; L1036-E1038 PolarHBondContact O-N 3.13Å; L1036-L1039 PolarHBondContact O-N 3.11Å; L1036-L1039 VanDerWaalsContact O-N 3.13Å; L1036-M1040 PolarHBondContact O-N 3.01Å |
| 1037 | V | 73.7 | Confident | 71 | Confident | 39 Ų | 39 | 30 Ų | 30 | 24% | 0.236 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -37 | 176.5 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | F1033 L1039 | F1033-V1037 HydrophobicContact CD1-CG2 3.75Å; F1033-V1037 HydrophobicContact CD2-CG2 4.5Å; F1033-V1037 HydrophobicContact CE1-CG2 3.37Å; F1033-V1037 HydrophobicContact CE2-CG2 4.15Å; F1033-V1037 HydrophobicContact CG-CG2 4.32Å; F1033-V1037 HydrophobicContact CZ-CG2 3.58Å; F1033-V1037 WeakPolarHBondContact O-CG2 3.15Å; F1033-V1037 PolarHBondContact O-N 2.99Å; V1037-L1039 VanDerWaalsContact C-N 3.31Å; V1037-L1039 PolarHBondContact O-N 2.82Å |
| 1038 | E | 69.2 | Low | 69.7 | Low | 88 Ų | 88 | 30.1 Ų | 30.1 | 41% | 0.411 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66 | -31.9 | 175.8 | -68.7 | 176.4 | -167.9 | 0 | 0 | 112.6 | C1034 T1035 L1036 R1276 | C1034-E1038 PolarHBondContact O-N 3.08Å; T1035-E1038 PolarHBondContact O-N 3.08Å; L1036-E1038 VanDerWaalsContact C-N 3.28Å; L1036-E1038 PolarHBondContact O-N 3.13Å; E1038-R1276 IonicContact OE1-NH2 3.26Å; E1038-R1276 PolarHBondContact OE1-NH2 2.89Å; E1038-R1276 VanDerWaalsContact OE1-NH2 3.15Å |
| 1039 | L | 71.2 | Confident | 68.1 | Low | 16 Ų | 16 | 35.2 Ų | 35.2 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -88.7 | -17 | -178.7 | -62.6 | 178.2 | 0 | 0 | 0 | 114 | G1000 P1001 T1007 T1035 L1036 V1037 L1042 | G1000-L1039 WeakPolarHBondContact O-CD1 3.34Å; P1001-L1039 HydrophobicContact CB-CD2 4.19Å; T1007-L1039 HydrophobicContact CG2-CB 4.21Å; T1035-L1039 WeakPolarHBondContact O-CG 3.27Å; T1035-L1039 PolarHBondContact O-N 3.32Å; L1036-L1039 PolarHBondContact O-N 3.11Å; L1036-L1039 VanDerWaalsContact O-N 3.13Å; V1037-L1039 VanDerWaalsContact C-N 3.31Å; V1037-L1039 PolarHBondContact O-N 2.82Å; L1039-L1042 HydrophobicContact CD2-CD1 4.05Å; L1039-L1042 WeakPolarHBondContact O-CB 3.44Å; L1039-L1042 PolarHBondContact O-N 3.29Å; L1039-L1042 VanDerWaalsContact O-N 3.1Å |
| 1040 | M | 71.6 | Confident | 66.8 | Low | 26 Ų | 26 | 40.4 Ų | 40.4 | 13% | 0.128 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -55.7 | -35.8 | -174.7 | -165.1 | -178.4 | -68.5 | 0 | 0 | 115.5 | T1007 R1008 A1011 L1036 L1042 E1043 F1067 | T1007-M1040 HydrophobicContact CG2-CB 4.19Å; R1008-M1040 HydrophobicContact CG-CG 4.12Å; R1008-M1040 HydrophobicContact CG-SD 4.45Å; A1011-M1040 HydrophobicContact CB-CE 4.12Å; L1036-M1040 PolarHBondContact O-N 3.01Å; M1040-L1042 PolarHBondContact O-N 3.11Å; M1040-E1043 WeakPolarHBondContact O-CB 3.43Å; M1040-E1043 PolarHBondContact O-N 3.13Å; M1040-F1067 HydrophobicContact CE-CD1 3.51Å; M1040-F1067 HydrophobicContact CE-CD2 4.18Å; M1040-F1067 HydrophobicContact CE-CE1 3.5Å; M1040-F1067 VanDerWaalsContact CE-CE1 3.5Å; M1040-F1067 HydrophobicContact CE-CE2 4.17Å; M1040-F1067 HydrophobicContact CE-CG 3.88Å; M1040-F1067 HydrophobicContact CE-CZ 3.85Å; M1040-F1067 HydrophobicContact SD-CB 4.12Å; M1040-F1067 HydrophobicContact SD-CD1 3.89Å; M1040-F1067 HydrophobicContact SD-CE1 4.48Å; M1040-F1067 HydrophobicContact SD-CG 3.91Å |
| 1041 | P | 64.6 | Low | 66.3 | Low | 26 Ų | 26 | 46.2 Ų | 46.2 | 17% | 0.169 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -66.9 | -21.7 | 178.7 | -20.4 | 33.9 | 0 | 0 | 0 | 114.1 | K17 L21 E1043 | K17-P1041 HydrophobicContact CB-CB 3.81Å; K17-P1041 HydrophobicContact CB-CG 4.15Å; K17-P1041 HydrophobicContact CD-CB 4.18Å; K17-P1041 HydrophobicContact CD-CG 3.95Å; K17-P1041 HydrophobicContact CG-CG 4.48Å; L21-P1041 HydrophobicContact CD1-CB 4.31Å; P1041-E1043 VanDerWaalsContact C-N 3.27Å; P1041-E1043 PolarHBondContact O-N 3.1Å |
| 1042 | L | 64.6 | Low | 66.2 | Low | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -79.5 | -8.9 | -179 | -62.1 | 167 | 0 | 0 | 0 | 113.2 | L21 L29 L32 N36 P1001 A1004 L1039 M1040 N1044 | L21-L1042 HydrophobicContact CD1-CD2 3.72Å; L21-L1042 HydrophobicContact CD1-CG 4.15Å; L29-L1042 HydrophobicContact CD2-CD1 3.61Å; L32-L1042 HydrophobicContact CB-CD2 3.85Å; L32-L1042 HydrophobicContact CD1-CD1 4.5Å; N36-L1042 PolarHBondContact ND2-O 3.13Å; N36-L1042 PolarHBondContact OD1-O 2.86Å; P1001-L1042 HydrophobicContact CB-CD1 4.46Å; A1004-L1042 HydrophobicContact CB-CB 4.11Å; L1039-L1042 HydrophobicContact CD2-CD1 4.05Å; L1039-L1042 WeakPolarHBondContact O-CB 3.44Å; L1039-L1042 PolarHBondContact O-N 3.29Å; L1039-L1042 VanDerWaalsContact O-N 3.1Å; M1040-L1042 PolarHBondContact O-N 3.11Å; L1042-N1044 PolarHBondContact O-N 2.81Å; L1042-N1044 VanDerWaalsContact O-N 3.12Å |
| 1043 | E | 64.5 | Low | 66.3 | Low | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | trans | -70.1 | 106.4 | -175.5 | -177 | 163.3 | 171.9 | 0 | 0 | 110.9 | R14 A1004 R1008 M1040 P1041 R1060 | R14-E1043 PolarHBondContact NH2-O 3.49Å; A1004-E1043 WeakPolarHBondContact O-CB 3.34Å; A1004-E1043 VanDerWaalsContact O-CD 3.29Å; A1004-E1043 WeakPolarHBondContact O-CG 3.35Å; R1008-E1043 WeakPolarHBondContact CB-OE2 3.28Å; R1008-E1043 VanDerWaalsContact CD-OE2 3.28Å; R1008-E1043 WeakPolarHBondContact CD-OE2 3.36Å; R1008-E1043 WeakPolarHBondContact CG-OE2 3.42Å; R1008-E1043 PolarHBondContact N-OE2 3Å; R1008-E1043 IonicContact NE-OE2 3.59Å; R1008-E1043 PolarHBondContact NE-OE2 3.36Å; M1040-E1043 WeakPolarHBondContact O-CB 3.43Å; M1040-E1043 PolarHBondContact O-N 3.13Å; P1041-E1043 VanDerWaalsContact C-N 3.27Å; P1041-E1043 PolarHBondContact O-N 3.1Å; E1043-R1060 WeakPolarHBondContact OE1-CG 3.44Å; E1043-R1060 IonicContact OE1-CZ 2.86Å; E1043-R1060 IonicContact OE1-NE 3.37Å; E1043-R1060 PolarHBondContact OE1-NE 3.26Å; E1043-R1060 IonicContact OE1-NH2 2.93Å; E1043-R1060 PolarHBondContact OE1-NH2 2.88Å | ||
| 1044 | N | 59.8 | Low | 66.1 | Low | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.053 | 29% | 0.285 | C | S | . | . | trans | -90.5 | 123.9 | 177.4 | -139 | -4.6 | 0 | 0 | 0 | 111.3 | R14 N36 T39 L1042 N1046 S1048 R1060 | R14-N1044 PolarHBondContact NH2-OD1 2.97Å; N36-N1044 WeakPolarHBondContact OD1-CB 3.36Å; N36-N1044 PolarHBondContact OD1-ND2 3.47Å; N36-N1044 VanDerWaalsContact OD1-ND2 3.1Å; N36-N1044 PolarHBondContact OD1-OD1 3.32Å; T39-N1044 PolarHBondContact OG1-ND2 3.29Å; T39-N1044 VanDerWaalsContact OG1-ND2 3.1Å; T39-N1044 PolarHBondContact OG1-OD1 3.39Å; L1042-N1044 PolarHBondContact O-N 2.81Å; L1042-N1044 VanDerWaalsContact O-N 3.12Å; N1044-N1046 VanDerWaalsContact C-N 3.28Å; N1044-N1046 PolarHBondContact O-N 3.33Å; N1044-S1048 PolarHBondContact O-OG 3.26Å; N1044-R1060 VanDerWaalsContact C-NH2 3.28Å; N1044-R1060 PolarHBondContact O-NH2 3.44Å | ||
| 1045 | V | 57.6 | Low | 66.4 | Low | 48 Ų | 48 | 53.9 Ų | 53.9 | 29% | 0.291 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -34.9 | -178.1 | -179 | 0 | 0 | 0 | 0 | 111 | E1049 | V1045-E1049 VanDerWaalsContact O-CG 3.28Å; V1045-E1049 WeakPolarHBondContact O-CG 3.47Å |
| 1046 | N | 55 | Low | 66.7 | Low | 99 Ų | 99 | 51.7 Ų | 51.7 | 53% | 0.529 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -29.1 | -162.6 | -58 | -6.7 | 0 | 0 | 0 | 115.3 | N1044 | N1044-N1046 VanDerWaalsContact C-N 3.28Å; N1044-N1046 PolarHBondContact O-N 3.33Å |
| 1047 | E | 49 | Very low | 66.6 | Low | 131 Ų | 131 | 53.9 Ų | 53.9 | 61% | 0.612 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -19.7 | -173.5 | -72.2 | -174.9 | 160.1 | 0 | 0 | 114.4 | ||
| 1048 | S | 49.7 | Very low | 66.8 | Low | 34 Ų | 34 | 57 Ų | 57 | 24% | 0.238 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 1.8 | 179.9 | 38.2 | 0 | 0 | 0 | 0 | 113.8 | N1044 S1050 R1060 | N1044-S1048 PolarHBondContact O-OG 3.26Å; S1048-S1050 VanDerWaalsContact C-N 3.27Å; S1048-S1050 PolarHBondContact O-N 2.87Å; S1048-R1060 PolarHBondContact OG-NH1 2.91Å |
| 1049 | E | 47.8 | Very low | 67.3 | Low | 107 Ų | 107 | 54.2 Ų | 54.2 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -25.3 | -176.2 | -65.9 | -169.9 | 157.5 | 0 | 0 | 113.6 | V1045 E1051 | V1045-E1049 VanDerWaalsContact O-CG 3.28Å; V1045-E1049 WeakPolarHBondContact O-CG 3.47Å; E1049-E1051 PolarHBondContact O-N 3.08Å |
| 1050 | S | 55.5 | Low | 67.5 | Low | 110 Ų | 110 | 54.2 Ų | 54.2 | 77% | 0.769 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -18.4 | -165.7 | -166.7 | 0 | 0 | 0 | 0 | 115.4 | S1048 | S1048-S1050 VanDerWaalsContact C-N 3.27Å; S1048-S1050 PolarHBondContact O-N 2.87Å |
| 1051 | E | 67.1 | Low | 67.4 | Low | 121 Ų | 121 | 57.4 Ų | 57.4 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.5 | -6.2 | -167.8 | -61.7 | -170.3 | 179 | 0 | 0 | 116.6 | I962 N966 E1049 | I962-E1051 HydrophobicContact CD1-CB 4.13Å; I962-E1051 WeakPolarHBondContact CD1-OE2 3.23Å; I962-E1051 HydrophobicContact CG2-CB 3.66Å; I962-E1051 WeakPolarHBondContact CG2-O 3.42Å; N966-E1051 PolarHBondContact ND2-O 3.47Å; E1049-E1051 PolarHBondContact O-N 3.08Å |
| 1052 | L | 76.9 | Confident | 67.7 | Low | 21 Ų | 21 | 60.7 Ų | 60.7 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -75.2 | 145.9 | 174.5 | -73.3 | 167 | 0 | 0 | 0 | 111.1 | V1006 L1056 I1057 | V1006-L1052 HydrophobicContact CG1-CD1 4.27Å; V1006-L1052 HydrophobicContact CG1-CD2 4.07Å; L1052-L1056 HydrophobicContact CD2-CD1 4.25Å; L1052-I1057 HydrophobicContact CB-CD1 4.27Å; L1052-I1057 HydrophobicContact CB-CG1 3.97Å; L1052-I1057 WeakPolarHBondContact O-CD1 3.48Å |
| 1053 | C | 82.7 | Confident | 68 | Low | 29 Ų | 29 | 62.9 Ų | 62.9 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | trans | -66.1 | 148.6 | 179.2 | 76.3 | 0 | 0 | 0 | 0 | 111.4 | N966 E1055 L1056 I1057 | N966-C1053 HydrophobicContact CB-CB 4.35Å; N966-C1053 PolarHBondContact OD1-N 3.3Å; C1053-E1055 PolarHBondContact O-N 2.64Å; C1053-L1056 PolarHBondContact O-N 3.24Å; C1053-L1056 VanDerWaalsContact SG-CG 3.54Å; C1053-I1057 PolarHBondContact O-N 2.82Å | ||
| 1054 | P | 79.1 | Confident | 68.2 | Low | 111 Ų | 111 | 63.9 Ų | 63.9 | 72% | 0.721 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -55.3 | -32.1 | -175.4 | -28 | 34.6 | 0 | 0 | 0 | 114.6 | I1057 R1058 | P1054-I1057 PolarHBondContact O-N 3.33Å; P1054-R1058 WeakPolarHBondContact O-CB 3.49Å; P1054-R1058 PolarHBondContact O-N 3.35Å |
| 1055 | E | 80.3 | Confident | 68.5 | Low | 63 Ų | 63 | 70 Ų | 70 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68 | -39 | 178.7 | 175.3 | 57.7 | -166.3 | 0 | 0 | 112.6 | C1053 R1058 R1059 | C1053-E1055 PolarHBondContact O-N 2.64Å; E1055-R1058 VanDerWaalsContact CD-NH2 3.34Å; E1055-R1058 IonicContact OE1-CZ 3.53Å; E1055-R1058 IonicContact OE1-NH2 3.81Å; E1055-R1058 PolarHBondContact OE1-NH2 2.99Å; E1055-R1058 IonicContact OE2-CZ 2.82Å; E1055-R1058 IonicContact OE2-NE 2.73Å; E1055-R1058 PolarHBondContact OE2-NE 3.12Å; E1055-R1058 IonicContact OE2-NH2 3.36Å; E1055-R1058 PolarHBondContact OE2-NH2 3Å; E1055-R1058 VanDerWaalsContact OE2-NH2 3.08Å; E1055-R1059 WeakPolarHBondContact O-CG 3.31Å; E1055-R1059 PolarHBondContact O-N 3.12Å; E1055-R1059 IonicContact OE1-CZ 3.19Å; E1055-R1059 IonicContact OE1-NE 2.65Å; E1055-R1059 PolarHBondContact OE1-NE 2.66Å; E1055-R1059 IonicContact OE1-NH2 2.9Å; E1055-R1059 PolarHBondContact OE1-NH2 3.32Å |
| 1056 | L | 80.6 | Confident | 68.9 | Low | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70.4 | -37.9 | 176.9 | -70 | 176 | 0 | 0 | 0 | 111.3 | L969 P970 L973 V1009 L1052 C1053 R1059 R1060 | L969-L1056 HydrophobicContact CB-CD1 4.26Å; L969-L1056 HydrophobicContact CB-CD2 3.85Å; L969-L1056 HydrophobicContact CD1-CD1 4.1Å; L969-L1056 HydrophobicContact CD1-CD2 4.19Å; P970-L1056 HydrophobicContact CG-CG 4.43Å; L973-L1056 HydrophobicContact CD1-CD2 3.61Å; V1009-L1056 HydrophobicContact CG1-CD2 4.33Å; L1052-L1056 HydrophobicContact CD2-CD1 4.25Å; C1053-L1056 PolarHBondContact O-N 3.24Å; C1053-L1056 VanDerWaalsContact SG-CG 3.54Å; L1056-R1059 PolarHBondContact O-N 3.35Å; L1056-R1060 VanDerWaalsContact O-CB 3.25Å; L1056-R1060 WeakPolarHBondContact O-CB 3.3Å; L1056-R1060 PolarHBondContact O-N 2.97Å |
| 1057 | I | 77.4 | Confident | 69.3 | Low | 45 Ų | 45 | 63.6 Ų | 63.6 | 23% | 0.231 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 174.9 | -62.7 | 171.8 | 0 | 0 | 0 | 110 | L1052 C1053 P1054 R1059 R1060 H1061 | L1052-I1057 HydrophobicContact CB-CD1 4.27Å; L1052-I1057 HydrophobicContact CB-CG1 3.97Å; L1052-I1057 WeakPolarHBondContact O-CD1 3.48Å; C1053-I1057 PolarHBondContact O-N 2.82Å; P1054-I1057 PolarHBondContact O-N 3.33Å; I1057-R1059 PolarHBondContact O-N 3.43Å; I1057-R1060 WeakPolarHBondContact O-CB 3.41Å; I1057-R1060 PolarHBondContact O-N 3.45Å; I1057-R1060 VanDerWaalsContact O-N 3.16Å; I1057-H1061 PolarHBondContact O-CD2 3.26Å; I1057-H1061 PolarHBondContact O-N 3.38Å; I1057-H1061 VanDerWaalsContact O-N 3.07Å |
| 1058 | R | 78.8 | Confident | 70 | Confident | 106 Ų | 106 | 59 Ų | 59 | 40% | 0.4 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.8 | -51 | 176.3 | -171.8 | -172.1 | 68 | 77.2 | 4.7 | 111.8 | P1054 E1055 R1060 H1061 E1062 | P1054-R1058 WeakPolarHBondContact O-CB 3.49Å; P1054-R1058 PolarHBondContact O-N 3.35Å; E1055-R1058 VanDerWaalsContact CD-NH2 3.34Å; E1055-R1058 IonicContact OE1-CZ 3.53Å; E1055-R1058 IonicContact OE1-NH2 3.81Å; E1055-R1058 PolarHBondContact OE1-NH2 2.99Å; E1055-R1058 IonicContact OE2-CZ 2.82Å; E1055-R1058 IonicContact OE2-NE 2.73Å; E1055-R1058 PolarHBondContact OE2-NE 3.12Å; E1055-R1058 IonicContact OE2-NH2 3.36Å; E1055-R1058 PolarHBondContact OE2-NH2 3Å; E1055-R1058 VanDerWaalsContact OE2-NH2 3.08Å; R1058-R1060 VanDerWaalsContact C-N 3.29Å; R1058-R1060 PolarHBondContact O-N 3.29Å; R1058-H1061 PolarHBondContact O-N 3.25Å; R1058-E1062 IonicContact CZ-OE1 3.06Å; R1058-E1062 IonicContact CZ-OE2 3.83Å; R1058-E1062 IonicContact NH1-OE1 2.97Å; R1058-E1062 PolarHBondContact NH1-OE1 3.18Å; R1058-E1062 IonicContact NH1-OE2 3.91Å; R1058-E1062 PolarHBondContact NH1-OE2 3.37Å; R1058-E1062 WeakPolarHBondContact O-CG 3.35Å; R1058-E1062 PolarHBondContact O-N 3.13Å; R1058-E1062 VanDerWaalsContact O-N 3.12Å |
| 1059 | R | 79.1 | Confident | 70.8 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 11% | 0.106 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 176.7 | -74.5 | -177.3 | -177.8 | -126.6 | -3.9 | 111.8 | L973 E977 V1009 E1055 L1056 I1057 H1061 E1062 R1063 | L973-R1059 VanDerWaalsContact CB-NH1 3.26Å; E977-R1059 VanDerWaalsContact CD-NH1 3.34Å; E977-R1059 IonicContact OE1-NH1 3.35Å; E977-R1059 PolarHBondContact OE1-NH1 3.15Å; E977-R1059 IonicContact OE2-CZ 2.74Å; E977-R1059 IonicContact OE2-NH1 3.52Å; E977-R1059 PolarHBondContact OE2-NH1 3.2Å; E977-R1059 IonicContact OE2-NH2 2.73Å; V1009-R1059 HydrophobicContact CG1-CB 4.27Å; V1009-R1059 HydrophobicContact CG2-CB 4.33Å; E1055-R1059 WeakPolarHBondContact O-CG 3.31Å; E1055-R1059 PolarHBondContact O-N 3.12Å; E1055-R1059 IonicContact OE1-CZ 3.19Å; E1055-R1059 IonicContact OE1-NE 2.65Å; E1055-R1059 PolarHBondContact OE1-NE 2.66Å; E1055-R1059 IonicContact OE1-NH2 2.9Å; E1055-R1059 PolarHBondContact OE1-NH2 3.32Å; L1056-R1059 PolarHBondContact O-N 3.35Å; I1057-R1059 PolarHBondContact O-N 3.43Å; R1059-H1061 PolarHBondContact O-N 2.88Å; R1059-E1062 PolarHBondContact O-N 3.44Å; R1059-R1063 WeakPolarHBondContact O-CB 3.24Å; R1059-R1063 WeakPolarHBondContact O-CG 3.41Å; R1059-R1063 PolarHBondContact O-N 3.31Å |
| 1060 | R | 75 | Confident | 71.6 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 6% | 0.064 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 178.8 | -175.4 | -174.7 | -179.7 | -168.2 | 0.6 | 111.7 | G1005 V1009 E1043 N1044 S1048 L1056 I1057 R1058 R1063 A1064 | G1005-R1060 PolarHBondContact O-NE 3.47Å; V1009-R1060 VanDerWaalsContact CG2-CA 3.48Å; V1009-R1060 HydrophobicContact CG2-CB 3.64Å; V1009-R1060 HydrophobicContact CG2-CG 4.26Å; E1043-R1060 WeakPolarHBondContact OE1-CG 3.44Å; E1043-R1060 IonicContact OE1-CZ 2.86Å; E1043-R1060 IonicContact OE1-NE 3.37Å; E1043-R1060 PolarHBondContact OE1-NE 3.26Å; E1043-R1060 IonicContact OE1-NH2 2.93Å; E1043-R1060 PolarHBondContact OE1-NH2 2.88Å; N1044-R1060 VanDerWaalsContact C-NH2 3.28Å; N1044-R1060 PolarHBondContact O-NH2 3.44Å; S1048-R1060 PolarHBondContact OG-NH1 2.91Å; L1056-R1060 VanDerWaalsContact O-CB 3.25Å; L1056-R1060 WeakPolarHBondContact O-CB 3.3Å; L1056-R1060 PolarHBondContact O-N 2.97Å; I1057-R1060 WeakPolarHBondContact O-CB 3.41Å; I1057-R1060 PolarHBondContact O-N 3.45Å; I1057-R1060 VanDerWaalsContact O-N 3.16Å; R1058-R1060 VanDerWaalsContact C-N 3.29Å; R1058-R1060 PolarHBondContact O-N 3.29Å; R1060-R1063 PolarHBondContact O-N 2.65Å; R1060-A1064 VanDerWaalsContact O-CB 3.29Å; R1060-A1064 WeakPolarHBondContact O-CB 3.43Å; R1060-A1064 PolarHBondContact O-N 3.37Å |
| 1061 | H | 70.4 | Confident | 71.9 | Confident | 93 Ų | 93 | 51.6 Ų | 51.6 | 43% | 0.431 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 177.4 | -70.5 | -66.9 | 0 | 0 | 0 | 112.5 | I1057 R1058 R1059 R1063 A1064 Q1065 | I1057-H1061 PolarHBondContact O-CD2 3.26Å; I1057-H1061 PolarHBondContact O-N 3.38Å; I1057-H1061 VanDerWaalsContact O-N 3.07Å; R1058-H1061 PolarHBondContact O-N 3.25Å; R1059-H1061 PolarHBondContact O-N 2.88Å; H1061-R1063 VanDerWaalsContact C-N 3.33Å; H1061-R1063 PolarHBondContact O-N 3.42Å; H1061-A1064 WeakPolarHBondContact O-CB 3.49Å; H1061-A1064 PolarHBondContact O-N 3.37Å; H1061-Q1065 PolarHBondContact O-N 3.47Å |
| 1062 | E | 70.9 | Confident | 71.7 | Confident | 95 Ų | 95 | 48.4 Ų | 48.4 | 44% | 0.444 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61 | -41.2 | 176.5 | -71.2 | 171.3 | -178.4 | 0 | 0 | 111.8 | R1058 R1059 | R1058-E1062 IonicContact CZ-OE1 3.06Å; R1058-E1062 IonicContact CZ-OE2 3.83Å; R1058-E1062 IonicContact NH1-OE1 2.97Å; R1058-E1062 PolarHBondContact NH1-OE1 3.18Å; R1058-E1062 IonicContact NH1-OE2 3.91Å; R1058-E1062 PolarHBondContact NH1-OE2 3.37Å; R1058-E1062 WeakPolarHBondContact O-CG 3.35Å; R1058-E1062 PolarHBondContact O-N 3.13Å; R1058-E1062 VanDerWaalsContact O-N 3.12Å; R1059-E1062 PolarHBondContact O-N 3.44Å |
| 1063 | R | 71.5 | Confident | 71 | Confident | 49 Ų | 49 | 48.7 Ų | 48.7 | 19% | 0.185 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -80.8 | -20.9 | 179 | -59.1 | -47.5 | -175.4 | 160 | -2.7 | 113.3 | E977 S1012 R1059 R1060 H1061 Q1065 L1066 F1067 | E977-R1063 IonicContact OE1-CZ 2.72Å; E977-R1063 IonicContact OE1-NE 3.74Å; E977-R1063 IonicContact OE1-NH2 3.52Å; E977-R1063 PolarHBondContact OE1-NH2 2.95Å; S1012-R1063 WeakPolarHBondContact OG-CD 3.35Å; S1012-R1063 PolarHBondContact OG-NE 3.03Å; S1012-R1063 PolarHBondContact OG-NH1 3.33Å; R1059-R1063 WeakPolarHBondContact O-CB 3.24Å; R1059-R1063 WeakPolarHBondContact O-CG 3.41Å; R1059-R1063 PolarHBondContact O-N 3.31Å; R1060-R1063 PolarHBondContact O-N 2.65Å; H1061-R1063 VanDerWaalsContact C-N 3.33Å; H1061-R1063 PolarHBondContact O-N 3.42Å; R1063-Q1065 VanDerWaalsContact C-N 3.33Å; R1063-L1066 WeakPolarHBondContact O-CB 3.44Å; R1063-L1066 PolarHBondContact O-N 3.44Å; R1063-F1067 VanDerWaalsContact O-CD2 3.29Å; R1063-F1067 WeakPolarHBondContact O-CD2 3.37Å; R1063-F1067 PolarHBondContact O-N 3.19Å; R1063-F1067 VanDerWaalsContact O-N 3.16Å |
| 1064 | A | 67.7 | Low | 70 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1060 H1061 L1066 F1067 S1068 | R1060-A1064 VanDerWaalsContact O-CB 3.29Å; R1060-A1064 WeakPolarHBondContact O-CB 3.43Å; R1060-A1064 PolarHBondContact O-N 3.37Å; H1061-A1064 WeakPolarHBondContact O-CB 3.49Å; H1061-A1064 PolarHBondContact O-N 3.37Å; A1064-L1066 VanDerWaalsContact C-N 3.32Å; A1064-L1066 PolarHBondContact O-N 2.87Å; A1064-F1067 PolarHBondContact O-N 2.97Å; A1064-S1068 PolarHBondContact O-N 3.11Å; A1064-S1068 PolarHBondContact O-OG 2.93Å |
| 1065 | Q | 65.8 | Low | 69.2 | Low | 138 Ų | 138 | 48.6 Ų | 48.6 | 65% | 0.645 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.5 | -38 | 172.7 | -77 | -177.4 | -19.7 | 0 | 0 | 112.2 | H1061 R1063 F1067 S1068 L1069 | H1061-Q1065 PolarHBondContact O-N 3.47Å; R1063-Q1065 VanDerWaalsContact C-N 3.33Å; Q1065-F1067 PolarHBondContact O-N 2.8Å; Q1065-S1068 WeakPolarHBondContact CA-OG 3.46Å; Q1065-S1068 PolarHBondContact O-N 2.99Å; Q1065-S1068 PolarHBondContact O-OG 2.94Å; Q1065-L1069 WeakPolarHBondContact O-CB 3.49Å; Q1065-L1069 WeakPolarHBondContact O-CG 3.25Å; Q1065-L1069 PolarHBondContact O-N 3.45Å |
| 1066 | L | 66.1 | Low | 68.5 | Low | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.6 | -47.8 | 176.2 | 173.1 | 61.4 | 0 | 0 | 0 | 112.1 | R1063 A1064 L1069 L1070 F1102 Y1106 | R1063-L1066 WeakPolarHBondContact O-CB 3.44Å; R1063-L1066 PolarHBondContact O-N 3.44Å; A1064-L1066 VanDerWaalsContact C-N 3.32Å; A1064-L1066 PolarHBondContact O-N 2.87Å; L1066-L1069 PolarHBondContact O-N 3.23Å; L1066-L1070 WeakPolarHBondContact O-CB 3.34Å; L1066-L1070 PolarHBondContact O-N 3.08Å; L1066-F1102 HydrophobicContact CD1-CE2 3.74Å; L1066-F1102 HydrophobicContact CD1-CZ 3.64Å; L1066-Y1106 HydrophobicContact CD1-CD1 3.96Å; L1066-Y1106 HydrophobicContact CD1-CD2 3.88Å; L1066-Y1106 HydrophobicContact CD1-CE1 3.51Å; L1066-Y1106 HydrophobicContact CD1-CE2 3.46Å; L1066-Y1106 VanDerWaalsContact CD1-CE2 3.46Å; L1066-Y1106 HydrophobicContact CD1-CG 4.14Å; L1066-Y1106 HydrophobicContact CD2-CD1 4.25Å; L1066-Y1106 HydrophobicContact CD2-CE1 3.96Å; L1066-Y1106 HydrophobicContact CG-CE1 4.36Å |
| 1067 | F | 65.1 | Low | 67.9 | Low | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.035 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.9 | -33.5 | -177.4 | -76.8 | -72 | 0 | 0 | 0 | 112.9 | R1008 A1011 F1033 M1040 R1063 A1064 Q1065 L1069 L1070 C1071 | R1008-F1067 HydrophobicContact CB-CD2 4.12Å; R1008-F1067 HydrophobicContact CB-CE2 4.29Å; R1008-F1067 HydrophobicContact CG-CD2 3.92Å; R1008-F1067 HydrophobicContact CG-CE2 4.46Å; R1008-F1067 WeakPolarHBondContact O-CE2 3.24Å; A1011-F1067 HydrophobicContact CB-CE1 4.38Å; A1011-F1067 HydrophobicContact CB-CE2 4.02Å; A1011-F1067 HydrophobicContact CB-CZ 3.53Å; F1033-F1067 HydrophobicContact CE2-CE1 4.16Å; F1033-F1067 HydrophobicContact CE2-CZ 4.3Å; F1033-F1067 HydrophobicContact CZ-CE1 4.36Å; M1040-F1067 HydrophobicContact CE-CD1 3.51Å; M1040-F1067 HydrophobicContact CE-CD2 4.18Å; M1040-F1067 HydrophobicContact CE-CE1 3.5Å; M1040-F1067 VanDerWaalsContact CE-CE1 3.5Å; M1040-F1067 HydrophobicContact CE-CE2 4.17Å; M1040-F1067 HydrophobicContact CE-CG 3.88Å; M1040-F1067 HydrophobicContact CE-CZ 3.85Å; M1040-F1067 HydrophobicContact SD-CB 4.12Å; M1040-F1067 HydrophobicContact SD-CD1 3.89Å; M1040-F1067 HydrophobicContact SD-CE1 4.48Å; M1040-F1067 HydrophobicContact SD-CG 3.91Å; R1063-F1067 VanDerWaalsContact O-CD2 3.29Å; R1063-F1067 WeakPolarHBondContact O-CD2 3.37Å; R1063-F1067 PolarHBondContact O-N 3.19Å; R1063-F1067 VanDerWaalsContact O-N 3.16Å; A1064-F1067 PolarHBondContact O-N 2.97Å; Q1065-F1067 PolarHBondContact O-N 2.8Å; F1067-L1069 VanDerWaalsContact C-N 3.3Å; F1067-L1070 HydrophobicContact CD1-CD2 4.03Å; F1067-L1070 HydrophobicContact CE1-CD2 4.19Å; F1067-L1070 PolarHBondContact O-N 2.76Å; F1067-C1071 WeakPolarHBondContact O-CB 3.34Å; F1067-C1071 PolarHBondContact O-N 3.16Å; F1067-C1071 PolarHBondContact O-SG 3.2Å |
| 1068 | S | 63.6 | Low | 67.3 | Low | 33 Ų | 33 | 53.9 Ų | 53.9 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 171 | 64.2 | 0 | 0 | 0 | 0 | 110.9 | A1064 Q1065 C1071 N1072 | A1064-S1068 PolarHBondContact O-N 3.11Å; A1064-S1068 PolarHBondContact O-OG 2.93Å; Q1065-S1068 WeakPolarHBondContact CA-OG 3.46Å; Q1065-S1068 PolarHBondContact O-N 2.99Å; Q1065-S1068 PolarHBondContact O-OG 2.94Å; S1068-C1071 CarbonylContact O-C 3.54Å; S1068-C1071 PolarHBondContact O-N 3.38Å; S1068-N1072 VanDerWaalsContact O-CB 3.32Å; S1068-N1072 WeakPolarHBondContact O-CB 3.45Å; S1068-N1072 PolarHBondContact O-N 3.06Å |
| 1069 | L | 65.1 | Low | 66.8 | Low | 43 Ų | 43 | 51.3 Ų | 51.3 | 23% | 0.225 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.3 | -38.1 | 174.4 | -69 | 174.2 | 0 | 0 | 0 | 113.5 | Q1065 L1066 F1067 C1071 N1072 A1075 L1076 F1102 | Q1065-L1069 WeakPolarHBondContact O-CB 3.49Å; Q1065-L1069 WeakPolarHBondContact O-CG 3.25Å; Q1065-L1069 PolarHBondContact O-N 3.45Å; L1066-L1069 PolarHBondContact O-N 3.23Å; F1067-L1069 VanDerWaalsContact C-N 3.3Å; L1069-C1071 VanDerWaalsContact C-N 3.31Å; L1069-C1071 PolarHBondContact O-N 3.07Å; L1069-N1072 CarbonylContact O-C 3.26Å; L1069-N1072 VanDerWaalsContact O-C 3.27Å; L1069-N1072 PolarHBondContact O-N 3.48Å; L1069-A1075 HydrophobicContact CD2-CB 4.17Å; L1069-A1075 WeakPolarHBondContact CD2-O 3.45Å; L1069-L1076 HydrophobicContact CB-CD2 3.87Å; L1069-L1076 HydrophobicContact CD1-CD2 4.45Å; L1069-L1076 HydrophobicContact CD2-CD2 4.13Å; L1069-L1076 HydrophobicContact CG-CD2 4.37Å; L1069-F1102 HydrophobicContact CB-CE2 4.09Å; L1069-F1102 HydrophobicContact CB-CZ 4.47Å |
| 1070 | L | 65.6 | Low | 66.1 | Low | 11 Ų | 11 | 57.7 Ų | 57.7 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 175.2 | -177.8 | 70.2 | 0 | 0 | 0 | 111.3 | L1066 F1067 F1102 L1108 P1310 | L1066-L1070 WeakPolarHBondContact O-CB 3.34Å; L1066-L1070 PolarHBondContact O-N 3.08Å; F1067-L1070 HydrophobicContact CD1-CD2 4.03Å; F1067-L1070 HydrophobicContact CE1-CD2 4.19Å; F1067-L1070 PolarHBondContact O-N 2.76Å; L1070-F1102 HydrophobicContact CB-CE1 4.2Å; L1070-F1102 HydrophobicContact CB-CZ 4.04Å; L1070-F1102 HydrophobicContact CD1-CE1 3.63Å; L1070-F1102 HydrophobicContact CD1-CZ 4.25Å; L1070-L1108 HydrophobicContact CD1-CD1 4.34Å; L1070-P1310 HydrophobicContact CD1-CB 4.15Å; L1070-P1310 HydrophobicContact CD2-CB 4.17Å; L1070-P1310 HydrophobicContact CG-CB 4.01Å |
| 1071 | C | 61.7 | Low | 65.6 | Low | 42 Ų | 42 | 58.9 Ų | 58.9 | 28% | 0.284 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -83.5 | -12.9 | 175.4 | -68.2 | 0 | 0 | 0 | 0 | 113.6 | F1067 S1068 L1069 L1599 | F1067-C1071 WeakPolarHBondContact O-CB 3.34Å; F1067-C1071 PolarHBondContact O-N 3.16Å; F1067-C1071 PolarHBondContact O-SG 3.2Å; S1068-C1071 CarbonylContact O-C 3.54Å; S1068-C1071 PolarHBondContact O-N 3.38Å; L1069-C1071 VanDerWaalsContact C-N 3.31Å; L1069-C1071 PolarHBondContact O-N 3.07Å; C1071-L1599 WeakPolarHBondContact O-CD1 3.4Å |
| 1072 | N | 63.1 | Low | 65.1 | Low | 55 Ų | 55 | 56.3 Ų | 56.3 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | trans | -132.6 | 84.2 | 178.3 | -170.8 | -1.4 | 0 | 0 | 0 | 110.5 | S1068 L1069 S1074 A1075 | S1068-N1072 VanDerWaalsContact O-CB 3.32Å; S1068-N1072 WeakPolarHBondContact O-CB 3.45Å; S1068-N1072 PolarHBondContact O-N 3.06Å; L1069-N1072 CarbonylContact O-C 3.26Å; L1069-N1072 VanDerWaalsContact O-C 3.27Å; L1069-N1072 PolarHBondContact O-N 3.48Å; N1072-S1074 PolarHBondContact O-N 3.42Å; N1072-S1074 VanDerWaalsContact O-N 3.11Å; N1072-S1074 WeakPolarHBondContact OD1-CB 3.3Å; N1072-S1074 PolarHBondContact OD1-N 3.32Å; N1072-A1075 HydrophobicContact CB-CB 4.31Å; N1072-A1075 PolarHBondContact O-N 2.9Å; N1072-A1075 VanDerWaalsContact O-N 3.13Å | ||
| 1073 | P | 61.3 | Low | 64.5 | Low | 27 Ų | 27 | 63.5 Ų | 63.5 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -62.8 | -21.3 | -179.7 | 26.2 | -34.3 | 0 | 0 | 0 | 112.6 | A1075 L1076 | P1073-A1075 VanDerWaalsContact C-N 3.31Å; P1073-A1075 PolarHBondContact O-N 3.28Å; P1073-L1076 HydrophobicContact CB-CD1 4.32Å; P1073-L1076 WeakPolarHBondContact O-CB 3.5Å; P1073-L1076 WeakPolarHBondContact O-CD1 3.34Å; P1073-L1076 WeakPolarHBondContact O-CG 3.24Å; P1073-L1076 PolarHBondContact O-N 3.04Å |
| 1074 | S | 61.2 | Low | 63.9 | Low | 91 Ų | 91 | 62.4 Ų | 62.4 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -72.6 | -23 | 179.3 | -46.4 | 0 | 0 | 0 | 0 | 113 | N1072 L1076 | N1072-S1074 PolarHBondContact O-N 3.42Å; N1072-S1074 VanDerWaalsContact O-N 3.11Å; N1072-S1074 WeakPolarHBondContact OD1-CB 3.3Å; N1072-S1074 PolarHBondContact OD1-N 3.32Å; S1074-L1076 VanDerWaalsContact C-N 3.33Å |
| 1075 | A | 62.4 | Low | 63.6 | Low | 46 Ų | 46 | 62.4 Ų | 62.4 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -88.6 | 1.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1069 N1072 P1073 | L1069-A1075 HydrophobicContact CD2-CB 4.17Å; L1069-A1075 WeakPolarHBondContact CD2-O 3.45Å; N1072-A1075 HydrophobicContact CB-CB 4.31Å; N1072-A1075 PolarHBondContact O-N 2.9Å; N1072-A1075 VanDerWaalsContact O-N 3.13Å; P1073-A1075 VanDerWaalsContact C-N 3.31Å; P1073-A1075 PolarHBondContact O-N 3.28Å |
| 1076 | L | 66 | Low | 63.2 | Low | 15 Ų | 15 | 61.3 Ų | 61.3 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -68.1 | 136 | -179.6 | -70.1 | 168.7 | 0 | 0 | 0 | 111 | L1069 P1073 S1074 T1098 W1099 F1102 | L1069-L1076 HydrophobicContact CB-CD2 3.87Å; L1069-L1076 HydrophobicContact CD1-CD2 4.45Å; L1069-L1076 HydrophobicContact CD2-CD2 4.13Å; L1069-L1076 HydrophobicContact CG-CD2 4.37Å; P1073-L1076 HydrophobicContact CB-CD1 4.32Å; P1073-L1076 WeakPolarHBondContact O-CB 3.5Å; P1073-L1076 WeakPolarHBondContact O-CD1 3.34Å; P1073-L1076 WeakPolarHBondContact O-CG 3.24Å; P1073-L1076 PolarHBondContact O-N 3.04Å; S1074-L1076 VanDerWaalsContact C-N 3.33Å; L1076-T1098 HydrophobicContact CB-CG2 3.53Å; L1076-T1098 HydrophobicContact CD1-CG2 4.38Å; L1076-W1099 HydrophobicContact CD1-CB 4.28Å; L1076-F1102 HydrophobicContact CD1-CB 3.91Å; L1076-F1102 HydrophobicContact CD1-CG 4.17Å; L1076-F1102 HydrophobicContact CD2-CB 3.94Å; L1076-F1102 HydrophobicContact CD2-CD1 4.48Å; L1076-F1102 HydrophobicContact CD2-CD2 3.37Å; L1076-F1102 HydrophobicContact CD2-CE2 3.93Å; L1076-F1102 HydrophobicContact CD2-CG 3.68Å |
| 1077 | P | 68.3 | Low | 63.2 | Low | 91 Ų | 91 | 69 Ų | 69 | 59% | 0.591 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 128.8 | 177.7 | 25 | -32.5 | 0 | 0 | 0 | 109.8 | V1079 T1098 | P1077-V1079 PolarHBondContact O-N 3.48Å; P1077-T1098 VanDerWaalsContact O-CG2 3.25Å; P1077-T1098 WeakPolarHBondContact O-CG2 3.23Å |
| 1078 | P | 64.5 | Low | 63.5 | Low | 116 Ų | 116 | 77 Ų | 77 | 75% | 0.753 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 127.9 | -173.6 | 25.1 | -33.6 | 0 | 0 | 0 | 110.8 | ||
| 1079 | V | 68.8 | Low | 64.2 | Low | 51 Ų | 51 | 76 Ų | 76 | 31% | 0.309 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 133 | 178.3 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | P1077 V1081 T1098 I1130 | P1077-V1079 PolarHBondContact O-N 3.48Å; V1079-V1081 PolarHBondContact O-N 2.91Å; V1079-V1081 VanDerWaalsContact O-N 3.09Å; V1079-T1098 HydrophobicContact CG2-CG2 4.3Å; V1079-T1098 PolarHBondContact N-OG1 2.99Å; V1079-I1130 HydrophobicContact CG1-CD1 4.41Å |
| 1080 | L | 63.5 | Low | 65 | Low | 163 Ų | 163 | 77.6 Ų | 77.6 | 85% | 0.853 | 41% | 0.412 | S | S | * | . | trans | -65.9 | 106.6 | 173.1 | -78.9 | 159.4 | 0 | 0 | 0 | 109.6 | ||||
| 1081 | V | 65.3 | Low | 65.7 | Low | 42 Ų | 42 | 81.7 Ų | 81.7 | 26% | 0.255 | 44% | 0.439 | S | S | . | . | trans | -72.7 | 136.7 | 175.2 | -175.4 | 0 | 0 | 0 | 0 | 109 | V1079 V1085 L1089 | V1079-V1081 PolarHBondContact O-N 2.91Å; V1079-V1081 VanDerWaalsContact O-N 3.09Å; V1081-V1085 HydrophobicContact CG1-CG2 3.91Å; V1081-L1089 HydrophobicContact CB-CD1 4.2Å; V1081-L1089 HydrophobicContact CG1-CD1 3.76Å; V1081-L1089 HydrophobicContact CG2-CD1 3.75Å | ||
| 1082 | P | 60.1 | Low | 66.7 | Low | 39 Ų | 39 | 80.4 Ų | 80.4 | 25% | 0.253 | 43% | 0.429 | S | S | . | . | trans | -58.5 | 139.4 | -178.5 | -25.7 | 35.1 | 0 | 0 | 0 | 113.1 | A1084 V1085 Y1129 I1130 | P1082-A1084 PolarHBondContact O-N 3.42Å; P1082-V1085 PolarHBondContact O-N 3.43Å; P1082-Y1129 HydrophobicContact CB-CD1 4.23Å; P1082-Y1129 HydrophobicContact CB-CE1 3.64Å; P1082-Y1129 HydrophobicContact CG-CD1 3.68Å; P1082-Y1129 HydrophobicContact CG-CE1 3.52Å; P1082-I1130 HydrophobicContact CG-CG1 4.25Å | ||
| 1083 | Y | 57.4 | Low | 67.7 | Low | 245 Ų | 245 | 78.5 Ų | 78.5 | 96% | 0.961 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -7.9 | 176.2 | -71 | -82.2 | 0 | 0 | 0 | 114.9 | V1085 | Y1083-V1085 VanDerWaalsContact C-N 3.32Å; Y1083-V1085 PolarHBondContact O-N 2.92Å |
| 1084 | A | 58.3 | Low | 68.8 | Low | 26 Ų | 26 | 83 Ų | 83 | 22% | 0.215 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -16.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P1082 N1086 Y1129 | P1082-A1084 PolarHBondContact O-N 3.42Å; A1084-N1086 PolarHBondContact O-N 3.19Å; A1084-Y1129 HydrophobicContact CB-CE2 4.34Å |
| 1085 | V | 62.7 | Low | 69.8 | Low | 22 Ų | 22 | 82.8 Ų | 82.8 | 13% | 0.133 | 42% | 0.423 | C | S | . | . | trans | -75.9 | 114.9 | 179.1 | -172.5 | 0 | 0 | 0 | 0 | 109.4 | V1081 P1082 Y1083 R1087 F1165 | V1081-V1085 HydrophobicContact CG1-CG2 3.91Å; P1082-V1085 PolarHBondContact O-N 3.43Å; Y1083-V1085 VanDerWaalsContact C-N 3.32Å; Y1083-V1085 PolarHBondContact O-N 2.92Å; V1085-R1087 WeakPolarHBondContact CG1-O 3.26Å; V1085-R1087 PolarHBondContact O-N 3.18Å; V1085-F1165 HydrophobicContact CG2-CE1 4.12Å | ||
| 1086 | N | 57.2 | Low | 70.9 | Confident | 116 Ų | 116 | 80.6 Ų | 80.6 | 62% | 0.62 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -68.9 | -0.4 | -174 | -147.5 | 10.6 | 0 | 0 | 0 | 114.4 | A1084 F1164 | A1084-N1086 PolarHBondContact O-N 3.19Å; N1086-F1164 PolarHBondContact N-O 2.97Å |
| 1087 | R | 65.7 | Low | 71.9 | Confident | 167 Ų | 167 | 79.9 Ų | 79.9 | 63% | 0.63 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -136.9 | 143.7 | -179.8 | -73.8 | -164.4 | 178.1 | -163.3 | -2.6 | 111.2 | V1085 L1089 | V1085-R1087 WeakPolarHBondContact CG1-O 3.26Å; V1085-R1087 PolarHBondContact O-N 3.18Å; R1087-L1089 PolarHBondContact O-N 3.42Å |
| 1088 | E | 71.3 | Confident | 72.6 | Confident | 177 Ų | 177 | 75.9 Ų | 75.9 | 83% | 0.827 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 126.1 | 169.8 | -66.5 | -168.6 | 157.2 | 0 | 0 | 110.8 | ||
| 1089 | L | 79.6 | Confident | 73.6 | Confident | 11 Ų | 11 | 70.8 Ų | 70.8 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 134.9 | 171 | -70.4 | 165.7 | 0 | 0 | 0 | 109.8 | V1081 R1087 Q1093 R1094 L1122 | V1081-L1089 HydrophobicContact CB-CD1 4.2Å; V1081-L1089 HydrophobicContact CG1-CD1 3.76Å; V1081-L1089 HydrophobicContact CG2-CD1 3.75Å; R1087-L1089 PolarHBondContact O-N 3.42Å; L1089-Q1093 HydrophobicContact CB-CB 4.27Å; L1089-Q1093 HydrophobicContact CD2-CB 4.05Å; L1089-R1094 HydrophobicContact CB-CG 3.73Å; L1089-R1094 HydrophobicContact CD1-CG 4.48Å; L1089-R1094 PolarHBondContact O-NE 3.03Å; L1089-L1122 HydrophobicContact CD2-CD1 4.4Å; L1089-L1122 HydrophobicContact CD2-CD2 3.46Å; L1089-L1122 VanDerWaalsContact CD2-CD2 3.46Å; L1089-L1122 HydrophobicContact CD2-CG 3.69Å |
| 1090 | R | 81.5 | Confident | 74.5 | Confident | 76 Ų | 76 | 68.6 Ų | 68.6 | 29% | 0.287 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 154.5 | 172 | -64.7 | -178.2 | 172.6 | -159.5 | -12.2 | 110.4 | Y1092 Q1093 R1094 C1321 D1323 | R1090-Y1092 HydrophobicContact CB-CD1 3.99Å; R1090-Y1092 HydrophobicContact CB-CE1 3.63Å; R1090-Y1092 WeakPolarHBondContact CD-OH 3.38Å; R1090-Y1092 HydrophobicContact CG-CE1 4.24Å; R1090-Y1092 PolarHBondContact O-N 3.38Å; R1090-Q1093 HydrophobicContact CB-CG 4.12Å; R1090-Q1093 WeakPolarHBondContact O-CA 3.25Å; R1090-Q1093 WeakPolarHBondContact O-CB 3.22Å; R1090-Q1093 PolarHBondContact O-N 3.08Å; R1090-R1094 PolarHBondContact O-N 3Å; R1090-C1321 PolarHBondContact NH1-SG 2.87Å; R1090-C1321 VanDerWaalsContact NH1-SG 3.36Å; R1090-D1323 IonicContact NH2-OD2 3.53Å |
| 1091 | P | 80.6 | Confident | 75.4 | Confident | 97 Ų | 97 | 61.7 Ų | 61.7 | 63% | 0.63 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -49.7 | -53.7 | -176.9 | -29.1 | 35.5 | 0 | 0 | 0 | 113.4 | Q1093 R1094 D1095 | P1091-Q1093 PolarHBondContact O-N 2.87Å; P1091-Q1093 VanDerWaalsContact O-N 3.15Å; P1091-R1094 WeakPolarHBondContact O-CA 3.31Å; P1091-R1094 WeakPolarHBondContact O-CB 3.36Å; P1091-R1094 PolarHBondContact O-N 3.26Å; P1091-D1095 PolarHBondContact O-N 3.39Å |
| 1092 | Y | 81.7 | Confident | 76.2 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 6% | 0.059 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -29.2 | 178.1 | 70.2 | -93.5 | 0 | 0 | 0 | 113.2 | R1090 D1095 G1096 L1118 R1315 V1320 | R1090-Y1092 HydrophobicContact CB-CD1 3.99Å; R1090-Y1092 HydrophobicContact CB-CE1 3.63Å; R1090-Y1092 WeakPolarHBondContact CD-OH 3.38Å; R1090-Y1092 HydrophobicContact CG-CE1 4.24Å; R1090-Y1092 PolarHBondContact O-N 3.38Å; Y1092-D1095 WeakPolarHBondContact CA-OD2 3.36Å; Y1092-D1095 PolarHBondContact O-N 3.43Å; Y1092-G1096 PolarHBondContact O-N 2.89Å; Y1092-L1118 HydrophobicContact CE2-CB 3.98Å; Y1092-L1118 HydrophobicContact CE2-CD2 4.03Å; Y1092-L1118 VanDerWaalsContact CE2-O 3.28Å; Y1092-L1118 WeakPolarHBondContact CE2-O 3.34Å; Y1092-R1315 PolarHBondContact O-NH1 3.09Å; Y1092-R1315 PolarHBondContact O-NH2 3.31Å; Y1092-V1320 HydrophobicContact CD1-CB 3.8Å; Y1092-V1320 HydrophobicContact CD1-CG2 4.06Å; Y1092-V1320 HydrophobicContact CD2-CB 4.49Å; Y1092-V1320 HydrophobicContact CD2-CG2 4.24Å; Y1092-V1320 HydrophobicContact CE1-CB 4.32Å; Y1092-V1320 HydrophobicContact CE1-CG2 4.16Å; Y1092-V1320 HydrophobicContact CE2-CG2 4.34Å; Y1092-V1320 HydrophobicContact CG-CB 3.91Å; Y1092-V1320 HydrophobicContact CG-CG1 4.31Å; Y1092-V1320 HydrophobicContact CG-CG2 4.12Å |
| 1093 | Q | 84.6 | Confident | 77.3 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 8% | 0.075 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.8 | -35.6 | 175.3 | -61.6 | 176.4 | -36.7 | 0 | 0 | 111.1 | L1089 R1090 P1091 G1096 V1097 L1118 Q1123 | L1089-Q1093 HydrophobicContact CB-CB 4.27Å; L1089-Q1093 HydrophobicContact CD2-CB 4.05Å; R1090-Q1093 HydrophobicContact CB-CG 4.12Å; R1090-Q1093 WeakPolarHBondContact O-CA 3.25Å; R1090-Q1093 WeakPolarHBondContact O-CB 3.22Å; R1090-Q1093 PolarHBondContact O-N 3.08Å; P1091-Q1093 PolarHBondContact O-N 2.87Å; P1091-Q1093 VanDerWaalsContact O-N 3.15Å; Q1093-G1096 PolarHBondContact O-N 3.18Å; Q1093-V1097 VanDerWaalsContact O-CG2 3.32Å; Q1093-V1097 WeakPolarHBondContact O-CG2 3.18Å; Q1093-V1097 PolarHBondContact O-N 2.85Å; Q1093-L1118 PolarHBondContact NE2-O 3Å; Q1093-Q1123 HydrophobicContact CB-CG 4.12Å; Q1093-Q1123 HydrophobicContact CG-CG 4.42Å |
| 1094 | R | 83.4 | Confident | 78.5 | Confident | 121 Ų | 121 | 48.3 Ų | 48.3 | 46% | 0.457 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.4 | -42.2 | 172.4 | -60.3 | -179.4 | -171.3 | -168.3 | -1.5 | 110.8 | L1089 R1090 P1091 G1096 V1097 T1098 | L1089-R1094 HydrophobicContact CB-CG 3.73Å; L1089-R1094 HydrophobicContact CD1-CG 4.48Å; L1089-R1094 PolarHBondContact O-NE 3.03Å; R1090-R1094 PolarHBondContact O-N 3Å; P1091-R1094 WeakPolarHBondContact O-CA 3.31Å; P1091-R1094 WeakPolarHBondContact O-CB 3.36Å; P1091-R1094 PolarHBondContact O-N 3.26Å; R1094-G1096 VanDerWaalsContact C-N 3.3Å; R1094-G1096 PolarHBondContact O-N 2.95Å; R1094-V1097 PolarHBondContact O-N 3.47Å; R1094-T1098 WeakPolarHBondContact O-CB 3.41Å; R1094-T1098 PolarHBondContact O-N 3.4Å; R1094-T1098 PolarHBondContact O-OG1 3.26Å |
| 1095 | D | 82.3 | Confident | 79.2 | Confident | 86 Ų | 86 | 50.5 Ų | 50.5 | 46% | 0.46 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 176.3 | -54.2 | -20.4 | 0 | 0 | 0 | 111 | P1091 Y1092 T1098 W1099 | P1091-D1095 PolarHBondContact O-N 3.39Å; Y1092-D1095 WeakPolarHBondContact CA-OD2 3.36Å; Y1092-D1095 PolarHBondContact O-N 3.43Å; D1095-T1098 WeakPolarHBondContact O-CB 3.42Å; D1095-T1098 PolarHBondContact O-N 3.19Å; D1095-W1099 WeakPolarHBondContact O-CB 3.21Å; D1095-W1099 PolarHBondContact O-N 2.9Å |
| 1096 | G | 85.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1092 Q1093 R1094 T1098 W1099 L1100 | Y1092-G1096 PolarHBondContact O-N 2.89Å; Q1093-G1096 PolarHBondContact O-N 3.18Å; R1094-G1096 VanDerWaalsContact C-N 3.3Å; R1094-G1096 PolarHBondContact O-N 2.95Å; G1096-T1098 VanDerWaalsContact C-N 3.32Å; G1096-W1099 PolarHBondContact O-N 2.86Å; G1096-L1100 VanDerWaalsContact O-CG 3.28Å; G1096-L1100 WeakPolarHBondContact O-CG 3.36Å; G1096-L1100 PolarHBondContact O-N 3.07Å |
| 1097 | V | 86.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -38.1 | 173.1 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | Q1093 R1094 L1100 S1101 Q1123 C1126 I1130 | Q1093-V1097 VanDerWaalsContact O-CG2 3.32Å; Q1093-V1097 WeakPolarHBondContact O-CG2 3.18Å; Q1093-V1097 PolarHBondContact O-N 2.85Å; R1094-V1097 PolarHBondContact O-N 3.47Å; V1097-L1100 PolarHBondContact O-N 3.14Å; V1097-S1101 WeakPolarHBondContact O-CB 3.48Å; V1097-S1101 PolarHBondContact O-N 2.99Å; V1097-Q1123 HydrophobicContact CG2-CB 4.12Å; V1097-Q1123 HydrophobicContact CG2-CG 4.31Å; V1097-C1126 HydrophobicContact CG1-CB 4.28Å; V1097-C1126 HydrophobicContact CG2-CB 3.82Å; V1097-I1130 HydrophobicContact CG1-CD1 4.18Å |
| 1098 | T | 84.8 | Confident | 81 | Confident | 8 Ų | 8 | 42.8 Ų | 42.8 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -44.8 | 177.7 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | L1076 P1077 V1079 R1094 D1095 G1096 S1101 F1102 | L1076-T1098 HydrophobicContact CB-CG2 3.53Å; L1076-T1098 HydrophobicContact CD1-CG2 4.38Å; P1077-T1098 VanDerWaalsContact O-CG2 3.25Å; P1077-T1098 WeakPolarHBondContact O-CG2 3.23Å; V1079-T1098 HydrophobicContact CG2-CG2 4.3Å; V1079-T1098 PolarHBondContact N-OG1 2.99Å; R1094-T1098 WeakPolarHBondContact O-CB 3.41Å; R1094-T1098 PolarHBondContact O-N 3.4Å; R1094-T1098 PolarHBondContact O-OG1 3.26Å; D1095-T1098 WeakPolarHBondContact O-CB 3.42Å; D1095-T1098 PolarHBondContact O-N 3.19Å; G1096-T1098 VanDerWaalsContact C-N 3.32Å; T1098-S1101 WeakPolarHBondContact O-CB 3.49Å; T1098-S1101 PolarHBondContact O-N 3.13Å; T1098-F1102 PolarHBondContact O-N 3.04Å |
| 1099 | W | 84.9 | Confident | 81.7 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 3% | 0.034 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 173.2 | 179.2 | 75.5 | 0 | 0 | 0 | 112.5 | L1076 D1095 G1096 S1101 F1102 L1103 L1313 | L1076-W1099 HydrophobicContact CD1-CB 4.28Å; D1095-W1099 WeakPolarHBondContact O-CB 3.21Å; D1095-W1099 PolarHBondContact O-N 2.9Å; G1096-W1099 PolarHBondContact O-N 2.86Å; W1099-S1101 VanDerWaalsContact C-N 3.29Å; W1099-S1101 PolarHBondContact O-N 3.42Å; W1099-F1102 WeakPolarHBondContact O-CB 3.48Å; W1099-F1102 PolarHBondContact O-N 2.99Å; W1099-L1103 HydrophobicContact CD2-CD1 4.04Å; W1099-L1103 HydrophobicContact CD2-CG 4.41Å; W1099-L1103 HydrophobicContact CE3-CD1 4.02Å; W1099-L1103 HydrophobicContact CH2-CD1 3.54Å; W1099-L1103 HydrophobicContact CZ2-CD1 3.53Å; W1099-L1103 HydrophobicContact CZ2-CG 4.33Å; W1099-L1103 HydrophobicContact CZ3-CD1 3.78Å; W1099-L1103 WeakPolarHBondContact O-CG 3.5Å; W1099-L1103 PolarHBondContact O-N 2.58Å; W1099-L1313 HydrophobicContact CB-CD2 4.11Å; W1099-L1313 HydrophobicContact CD2-CB 3.89Å; W1099-L1313 HydrophobicContact CD2-CD2 3.8Å; W1099-L1313 HydrophobicContact CD2-CG 4.38Å; W1099-L1313 HydrophobicContact CE3-CB 3.71Å; W1099-L1313 HydrophobicContact CE3-CD2 3.63Å; W1099-L1313 HydrophobicContact CE3-CG 4.32Å; W1099-L1313 HydrophobicContact CG-CD2 4.03Å; W1099-L1313 HydrophobicContact CH2-CB 3.63Å; W1099-L1313 HydrophobicContact CZ2-CB 3.8Å; W1099-L1313 HydrophobicContact CZ3-CB 3.6Å; W1099-L1313 HydrophobicContact CZ3-CD2 4.29Å |
| 1100 | L | 87 | Confident | 82 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.7 | -36.8 | 175.7 | -70.1 | 171.6 | 0 | 0 | 0 | 112.2 | G1096 V1097 L1103 K1104 Q1123 I1127 L1241 | G1096-L1100 VanDerWaalsContact O-CG 3.28Å; G1096-L1100 WeakPolarHBondContact O-CG 3.36Å; G1096-L1100 PolarHBondContact O-N 3.07Å; V1097-L1100 PolarHBondContact O-N 3.14Å; L1100-L1103 PolarHBondContact O-N 3.19Å; L1100-K1104 WeakPolarHBondContact O-CB 3.4Å; L1100-K1104 PolarHBondContact O-N 3.04Å; L1100-Q1123 HydrophobicContact CD1-CB 4.46Å; L1100-I1127 HydrophobicContact CB-CB 4.16Å; L1100-I1127 HydrophobicContact CB-CD1 4.39Å; L1100-I1127 HydrophobicContact CB-CG1 4.01Å; L1100-I1127 HydrophobicContact CB-CG2 4.31Å; L1100-I1127 HydrophobicContact CD1-CB 4.43Å; L1100-I1127 HydrophobicContact CD1-CG2 3.94Å; L1100-L1241 HydrophobicContact CD2-CD1 3.65Å; L1100-L1241 HydrophobicContact CD2-CD2 4.18Å |
| 1101 | S | 83.6 | Confident | 82.4 | Confident | 18 Ų | 18 | 30.7 Ų | 30.7 | 13% | 0.126 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67 | -38.4 | 174.8 | -171.8 | 0 | 0 | 0 | 0 | 112.2 | V1097 T1098 W1099 K1104 A1105 | V1097-S1101 WeakPolarHBondContact O-CB 3.48Å; V1097-S1101 PolarHBondContact O-N 2.99Å; T1098-S1101 WeakPolarHBondContact O-CB 3.49Å; T1098-S1101 PolarHBondContact O-N 3.13Å; W1099-S1101 VanDerWaalsContact C-N 3.29Å; W1099-S1101 PolarHBondContact O-N 3.42Å; S1101-K1104 WeakPolarHBondContact O-CB 3.32Å; S1101-K1104 PolarHBondContact O-N 3.43Å; S1101-A1105 WeakPolarHBondContact O-CB 3.4Å; S1101-A1105 PolarHBondContact O-N 3Å |
| 1102 | F | 82.2 | Confident | 82.9 | Confident | 17 Ų | 17 | 26.1 Ų | 26.1 | 8% | 0.075 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.2 | -49.3 | 172.9 | 170.9 | -92.7 | 0 | 0 | 0 | 111 | L1066 L1069 L1070 L1076 T1098 W1099 K1104 A1105 Y1106 | L1066-F1102 HydrophobicContact CD1-CE2 3.74Å; L1066-F1102 HydrophobicContact CD1-CZ 3.64Å; L1069-F1102 HydrophobicContact CB-CE2 4.09Å; L1069-F1102 HydrophobicContact CB-CZ 4.47Å; L1070-F1102 HydrophobicContact CB-CE1 4.2Å; L1070-F1102 HydrophobicContact CB-CZ 4.04Å; L1070-F1102 HydrophobicContact CD1-CE1 3.63Å; L1070-F1102 HydrophobicContact CD1-CZ 4.25Å; L1076-F1102 HydrophobicContact CD1-CB 3.91Å; L1076-F1102 HydrophobicContact CD1-CG 4.17Å; L1076-F1102 HydrophobicContact CD2-CB 3.94Å; L1076-F1102 HydrophobicContact CD2-CD1 4.48Å; L1076-F1102 HydrophobicContact CD2-CD2 3.37Å; L1076-F1102 HydrophobicContact CD2-CE2 3.93Å; L1076-F1102 HydrophobicContact CD2-CG 3.68Å; T1098-F1102 PolarHBondContact O-N 3.04Å; W1099-F1102 WeakPolarHBondContact O-CB 3.48Å; W1099-F1102 PolarHBondContact O-N 2.99Å; F1102-K1104 VanDerWaalsContact C-N 3.29Å; F1102-K1104 PolarHBondContact O-N 3.29Å; F1102-A1105 PolarHBondContact O-N 3.35Å; F1102-A1105 VanDerWaalsContact O-N 3.15Å; F1102-Y1106 AromaticContact CD2-CD2 3.92Å; F1102-Y1106 HydrophobicContact CD2-CD2 3.92Å; F1102-Y1106 AromaticContact CD2-CE2 3.66Å; F1102-Y1106 HydrophobicContact CD2-CE2 3.66Å; F1102-Y1106 HydrophobicContact CE1-CD2 4.4Å; F1102-Y1106 AromaticContact CE2-CD2 3.72Å; F1102-Y1106 HydrophobicContact CE2-CD2 3.72Å; F1102-Y1106 AromaticContact CE2-CE2 3.38Å; F1102-Y1106 HydrophobicContact CE2-CE2 3.38Å; F1102-Y1106 HydrophobicContact CG-CD2 4.38Å; F1102-Y1106 AromaticContact CZ-CD2 3.98Å; F1102-Y1106 HydrophobicContact CZ-CD2 3.98Å; F1102-Y1106 HydrophobicContact CZ-CE2 4.04Å; F1102-Y1106 VanDerWaalsContact O-CD2 3.31Å; F1102-Y1106 WeakPolarHBondContact O-CD2 3.44Å; F1102-Y1106 PolarHBondContact O-N 3.27Å |
| 1103 | L | 82.4 | Confident | 83.1 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.6 | -43.4 | 175.9 | -67 | -178.7 | 0 | 0 | 0 | 111.8 | W1099 L1100 A1105 Y1106 S1107 L1108 | W1099-L1103 HydrophobicContact CD2-CD1 4.04Å; W1099-L1103 HydrophobicContact CD2-CG 4.41Å; W1099-L1103 HydrophobicContact CE3-CD1 4.02Å; W1099-L1103 HydrophobicContact CH2-CD1 3.54Å; W1099-L1103 HydrophobicContact CZ2-CD1 3.53Å; W1099-L1103 HydrophobicContact CZ2-CG 4.33Å; W1099-L1103 HydrophobicContact CZ3-CD1 3.78Å; W1099-L1103 WeakPolarHBondContact O-CG 3.5Å; W1099-L1103 PolarHBondContact O-N 2.58Å; L1100-L1103 PolarHBondContact O-N 3.19Å; L1103-A1105 PolarHBondContact O-N 3.46Å; L1103-Y1106 PolarHBondContact O-N 3.5Å; L1103-S1107 PolarHBondContact O-N 3.04Å; L1103-L1108 HydrophobicContact CB-CB 4.17Å; L1103-L1108 HydrophobicContact CD2-CB 3.81Å; L1103-L1108 HydrophobicContact CD2-CD1 3.98Å; L1103-L1108 WeakPolarHBondContact O-CB 3.24Å; L1103-L1108 PolarHBondContact O-N 3.34Å |
| 1104 | K | 81.5 | Confident | 83.2 | Confident | 24 Ų | 24 | 24.6 Ų | 24.6 | 10% | 0.104 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.5 | -47.9 | 175.3 | 178.3 | -179.3 | 163 | -84.7 | 0 | 112.3 | L1100 S1101 F1102 Y1106 S1107 I1127 A1131 E1134 Y1212 H1239 | L1100-K1104 WeakPolarHBondContact O-CB 3.4Å; L1100-K1104 PolarHBondContact O-N 3.04Å; S1101-K1104 WeakPolarHBondContact O-CB 3.32Å; S1101-K1104 PolarHBondContact O-N 3.43Å; F1102-K1104 VanDerWaalsContact C-N 3.29Å; F1102-K1104 PolarHBondContact O-N 3.29Å; K1104-Y1106 PolarHBondContact O-N 3.36Å; K1104-S1107 PolarHBondContact O-N 3.4Å; K1104-I1127 HydrophobicContact CD-CD1 3.99Å; K1104-A1131 HydrophobicContact CD-CB 3.91Å; K1104-A1131 VanDerWaalsContact CE-CB 3.48Å; K1104-E1134 IonicContact NZ-OE1 2.78Å; K1104-E1134 PolarHBondContact NZ-OE1 2.88Å; K1104-E1134 IonicContact NZ-OE2 3.42Å; K1104-E1134 PolarHBondContact NZ-OE2 3.24Å; K1104-Y1212 WeakPolarHBondContact CB-OH 3.43Å; K1104-Y1212 HydrophobicContact CD-CE2 4.29Å; K1104-H1239 PolarHBondContact O-CE1 3.43Å |
| 1105 | A | 74.5 | Confident | 83 | Confident | 72 Ų | 72 | 20.6 Ų | 20.6 | 60% | 0.595 | 12% | 0.117 | S | C | * | . | H | α-helix | trans | -58.3 | -33.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1101 F1102 L1103 | S1101-A1105 WeakPolarHBondContact O-CB 3.4Å; S1101-A1105 PolarHBondContact O-N 3Å; F1102-A1105 PolarHBondContact O-N 3.35Å; F1102-A1105 VanDerWaalsContact O-N 3.15Å; L1103-A1105 PolarHBondContact O-N 3.46Å |
| 1106 | Y | 72.2 | Confident | 82.7 | Confident | 79 Ų | 79 | 17.6 Ų | 17.6 | 31% | 0.31 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 12.3 | 178 | -67.2 | -76.6 | 0 | 0 | 0 | 114 | L1066 F1102 L1103 K1104 L1108 | L1066-Y1106 HydrophobicContact CD1-CD1 3.96Å; L1066-Y1106 HydrophobicContact CD1-CD2 3.88Å; L1066-Y1106 HydrophobicContact CD1-CE1 3.51Å; L1066-Y1106 HydrophobicContact CD1-CE2 3.46Å; L1066-Y1106 VanDerWaalsContact CD1-CE2 3.46Å; L1066-Y1106 HydrophobicContact CD1-CG 4.14Å; L1066-Y1106 HydrophobicContact CD2-CD1 4.25Å; L1066-Y1106 HydrophobicContact CD2-CE1 3.96Å; L1066-Y1106 HydrophobicContact CG-CE1 4.36Å; F1102-Y1106 AromaticContact CD2-CD2 3.92Å; F1102-Y1106 HydrophobicContact CD2-CD2 3.92Å; F1102-Y1106 AromaticContact CD2-CE2 3.66Å; F1102-Y1106 HydrophobicContact CD2-CE2 3.66Å; F1102-Y1106 HydrophobicContact CE1-CD2 4.4Å; F1102-Y1106 AromaticContact CE2-CD2 3.72Å; F1102-Y1106 HydrophobicContact CE2-CD2 3.72Å; F1102-Y1106 AromaticContact CE2-CE2 3.38Å; F1102-Y1106 HydrophobicContact CE2-CE2 3.38Å; F1102-Y1106 HydrophobicContact CG-CD2 4.38Å; F1102-Y1106 AromaticContact CZ-CD2 3.98Å; F1102-Y1106 HydrophobicContact CZ-CD2 3.98Å; F1102-Y1106 HydrophobicContact CZ-CE2 4.04Å; F1102-Y1106 VanDerWaalsContact O-CD2 3.31Å; F1102-Y1106 WeakPolarHBondContact O-CD2 3.44Å; F1102-Y1106 PolarHBondContact O-N 3.27Å; L1103-Y1106 PolarHBondContact O-N 3.5Å; K1104-Y1106 PolarHBondContact O-N 3.36Å; Y1106-L1108 PolarHBondContact O-N 2.75Å; Y1106-L1108 VanDerWaalsContact O-N 3.16Å |
| 1107 | S | 72 | Confident | 82.2 | Confident | 59 Ų | 59 | 18.8 Ų | 18.8 | 41% | 0.413 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 32.1 | -176.2 | -57.1 | 0 | 0 | 0 | 0 | 113.8 | T1019 L1103 K1104 | T1019-S1107 WeakPolarHBondContact CG2-O 3.4Å; L1103-S1107 PolarHBondContact O-N 3.04Å; K1104-S1107 PolarHBondContact O-N 3.4Å |
| 1108 | L | 77.7 | Confident | 81.9 | Confident | 5 Ų | 5 | 18.9 Ų | 18.9 | 3% | 0.026 | 11% | 0.114 | C | C | . | . | trans | -88.3 | 170.3 | 176.3 | -58.9 | 177.9 | 0 | 0 | 0 | 111.1 | L1015 L1070 L1103 Y1106 F1311 | L1015-L1108 HydrophobicContact CD1-CD2 3.52Å; L1015-L1108 HydrophobicContact CD2-CD1 4.28Å; L1015-L1108 HydrophobicContact CD2-CD2 4.08Å; L1015-L1108 HydrophobicContact CG-CD2 3.71Å; L1070-L1108 HydrophobicContact CD1-CD1 4.34Å; L1103-L1108 HydrophobicContact CB-CB 4.17Å; L1103-L1108 HydrophobicContact CD2-CB 3.81Å; L1103-L1108 HydrophobicContact CD2-CD1 3.98Å; L1103-L1108 WeakPolarHBondContact O-CB 3.24Å; L1103-L1108 PolarHBondContact O-N 3.34Å; Y1106-L1108 PolarHBondContact O-N 2.75Å; Y1106-L1108 VanDerWaalsContact O-N 3.16Å; L1108-F1311 HydrophobicContact CD1-CE1 4.44Å; L1108-F1311 HydrophobicContact CD2-CE1 4.39Å | ||
| 1109 | H | 86.1 | Confident | 81.8 | Confident | 9 Ų | 9 | 19.4 Ų | 19.4 | 4% | 0.042 | 12% | 0.121 | C | C | . | . | trans | -123.2 | 160.1 | 178.9 | -52.8 | -36.7 | 0 | 0 | 0 | 109 | T1019 K1238 R1240 L1262 F1311 | T1019-H1109 WeakPolarHBondContact CG2-NE2 3.4Å; H1109-K1238 PolarHBondContact CE1-O 3.43Å; H1109-R1240 WeakPolarHBondContact CA-O 3.46Å; H1109-R1240 HydrophobicContact CB-CB 4.32Å; H1109-R1240 WeakPolarHBondContact CB-O 3.37Å; H1109-R1240 PolarHBondContact ND1-N 2.9Å; H1109-L1262 HydrophobicContact CB-CB 4.19Å; H1109-L1262 HydrophobicContact CB-CD2 3.93Å; H1109-L1262 PolarHBondContact CD2-O 3.44Å; H1109-F1311 WeakPolarHBondContact O-CD1 3.35Å | ||
| 1110 | G | 87.3 | Confident | 81.9 | Confident | 2 Ų | 2 | 19.8 Ų | 19.8 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 166.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1240 L1241 I1242 F1311 | G1110-R1240 PolarHBondContact N-O 2.95Å; G1110-L1241 WeakPolarHBondContact O-CA 3.21Å; G1110-L1241 WeakPolarHBondContact O-CD1 3.23Å; G1110-I1242 PolarHBondContact O-N 2.98Å; G1110-I1242 VanDerWaalsContact O-N 3.1Å; G1110-F1311 CarbonylContact C-O 3.49Å; G1110-F1311 VanDerWaalsContact CA-O 3.27Å; G1110-F1311 WeakPolarHBondContact CA-O 3.41Å |
| 1111 | I | 89.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 118 | 172.3 | -45.2 | -176.5 | 0 | 0 | 0 | 108.1 | C1113 I1242 P1247 L1258 F1259 L1262 F1311 I1312 L1313 | I1111-C1113 WeakPolarHBondContact CG2-SG 3.49Å; I1111-C1113 PolarHBondContact O-N 3.43Å; I1111-I1242 CarbonylContact C-O 3.52Å; I1111-I1242 WeakPolarHBondContact CA-O 3.32Å; I1111-I1242 HydrophobicContact CB-CB 4.49Å; I1111-I1242 HydrophobicContact CG1-CB 4.29Å; I1111-I1242 HydrophobicContact CG2-CB 3.98Å; I1111-I1242 HydrophobicContact CG2-CG2 3.94Å; I1111-P1247 HydrophobicContact CG2-CB 4.5Å; I1111-L1258 HydrophobicContact CD1-CB 4.21Å; I1111-L1258 HydrophobicContact CD1-CD1 4.38Å; I1111-F1259 HydrophobicContact CD1-CE2 4.09Å; I1111-L1262 HydrophobicContact CD1-CD1 3.79Å; I1111-L1262 HydrophobicContact CG1-CD1 3.38Å; I1111-L1262 HydrophobicContact CG1-CG 4.48Å; I1111-F1311 PolarHBondContact N-O 3.47Å; I1111-I1312 HydrophobicContact CB-CG1 4.19Å; I1111-I1312 HydrophobicContact CD1-CD1 4.07Å; I1111-I1312 HydrophobicContact CD1-CG1 4.1Å; I1111-I1312 HydrophobicContact CG1-CG1 4.28Å; I1111-L1313 PolarHBondContact O-N 3.27Å |
| 1112 | L | 89.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 103.4 | 171.6 | -175 | 64.6 | 0 | 0 | 0 | 109.2 | K1120 Q1123 L1241 I1242 L1243 S1244 L1313 | L1112-K1120 HydrophobicContact CD2-CB 4.06Å; L1112-K1120 HydrophobicContact CD2-CG 3.96Å; L1112-K1120 HydrophobicContact CG-CD 4.43Å; L1112-K1120 HydrophobicContact CG-CG 4.17Å; L1112-Q1123 HydrophobicContact CD2-CB 4.27Å; L1112-L1241 HydrophobicContact CB-CD1 4.38Å; L1112-I1242 PolarHBondContact N-O 3.3Å; L1112-L1243 HydrophobicContact CB-CD2 3.76Å; L1112-L1243 HydrophobicContact CD2-CD2 4.1Å; L1112-L1243 HydrophobicContact CG-CD2 4.47Å; L1112-S1244 PolarHBondContact O-N 3.38Å; L1112-L1313 HydrophobicContact CD1-CB 4.23Å; L1112-L1313 HydrophobicContact CD1-CD2 3.95Å; L1112-L1313 HydrophobicContact CD1-CG 4.27Å |
| 1113 | C | 86.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -103.5 | 19.5 | -174.1 | -72.4 | 0 | 0 | 0 | 0 | 115.1 | I1111 E1115 S1244 P1247 I1312 L1313 R1314 | I1111-C1113 WeakPolarHBondContact CG2-SG 3.49Å; I1111-C1113 PolarHBondContact O-N 3.43Å; C1113-E1115 PolarHBondContact O-N 3.31Å; C1113-S1244 VanDerWaalsContact CA-O 3.24Å; C1113-S1244 WeakPolarHBondContact CA-O 3.5Å; C1113-S1244 PolarHBondContact SG-O 3.45Å; C1113-S1244 VanDerWaalsContact SG-O 3.4Å; C1113-P1247 HydrophobicContact CB-CG 4.49Å; C1113-P1247 WeakPolarHBondContact SG-CG 3.23Å; C1113-I1312 HydrophobicContact CB-CG2 4.01Å; C1113-L1313 WeakPolarHBondContact CA-O 3.37Å; C1113-L1313 PolarHBondContact N-O 3.4Å; C1113-R1314 HydrophobicContact CB-CB 3.74Å; C1113-R1314 HydrophobicContact CB-CG 4.07Å; C1113-R1314 WeakPolarHBondContact O-CG 3.44Å | ||
| 1114 | D | 86.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -50.2 | 140.8 | 172.1 | -75.2 | -9.4 | 0 | 0 | 0 | 111.8 | L1118 K1120 Q1123 R1315 | D1114-L1118 HydrophobicContact CB-CB 4.03Å; D1114-L1118 HydrophobicContact CB-CD1 3.99Å; D1114-K1120 HydrophobicContact CB-CD 4.1Å; D1114-K1120 HydrophobicContact CB-CG 3.75Å; D1114-K1120 WeakPolarHBondContact O-CD 3.42Å; D1114-K1120 PolarHBondContact O-NZ 3.33Å; D1114-Q1123 PolarHBondContact OD2-NE2 3.23Å; D1114-R1315 IonicContact OD1-CZ 2.77Å; D1114-R1315 IonicContact OD1-NE 3.98Å; D1114-R1315 PolarHBondContact OD1-NE 3.27Å; D1114-R1315 IonicContact OD1-NH2 3.66Å; D1114-R1315 PolarHBondContact OD1-NH2 2.84Å; D1114-R1315 IonicContact OD2-CZ 2.84Å; D1114-R1315 IonicContact OD2-NE 2.72Å; D1114-R1315 IonicContact OD2-NH2 3.38Å; D1114-R1315 PolarHBondContact OD2-NH2 3.47Å |
| 1115 | E | 78.9 | Confident | 83.1 | Confident | 36 Ų | 36 | 18.7 Ų | 18.7 | 17% | 0.168 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 154.2 | 173.6 | -165.1 | 176.8 | 168 | 0 | 0 | 111.3 | C1113 G1117 L1118 K1120 R1315 K1317 K1327 | C1113-E1115 PolarHBondContact O-N 3.31Å; E1115-G1117 PolarHBondContact O-N 3.02Å; E1115-L1118 HydrophobicContact CB-CD1 4.11Å; E1115-L1118 PolarHBondContact O-N 3.45Å; E1115-K1120 PolarHBondContact O-NZ 3.28Å; E1115-R1315 PolarHBondContact N-O 3.47Å; E1115-K1317 HydrophobicContact CB-CG 4.25Å; E1115-K1317 HydrophobicContact CG-CD 4.31Å; E1115-K1317 HydrophobicContact CG-CG 4.19Å; E1115-K1317 WeakPolarHBondContact OE2-CB 3.33Å; E1115-K1317 WeakPolarHBondContact OE2-CG 3.47Å; E1115-K1317 PolarHBondContact OE2-N 3.49Å; E1115-K1327 IonicContact OE1-NZ 3.83Å; E1115-K1327 PolarHBondContact OE1-NZ 3.28Å |
| 1116 | M | 77.5 | Confident | 83.7 | Confident | 24 Ų | 24 | 15.4 Ų | 15.4 | 12% | 0.118 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 133.5 | -175.3 | -56.9 | -176.4 | 80.6 | 0 | 0 | 111.3 | K1317 Q1548 D1551 | M1116-K1317 WeakPolarHBondContact O-CE 3.39Å; M1116-K1317 PolarHBondContact O-NZ 3.32Å; M1116-K1317 VanDerWaalsContact O-NZ 3.1Å; M1116-Q1548 HydrophobicContact CE-CG 4.17Å; M1116-Q1548 HydrophobicContact SD-CB 4.03Å; M1116-Q1548 HydrophobicContact SD-CG 3.56Å; M1116-Q1548 VanDerWaalsContact SD-CG 3.56Å; M1116-D1551 HydrophobicContact CB-CB 4.27Å; M1116-D1551 HydrophobicContact SD-CB 4.41Å |
| 1117 | G | 74 | Confident | 84.4 | Confident | 25 Ų | 25 | 11.6 Ų | 11.6 | 26% | 0.258 | 8% | 0.076 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94 | -7.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E1115 G1119 I1556 | E1115-G1117 PolarHBondContact O-N 3.02Å; G1117-G1119 PolarHBondContact O-N 3.48Å; G1117-I1556 WeakPolarHBondContact O-CD1 3.37Å |
| 1118 | L | 81 | Confident | 85.1 | Confident | 1 Ų | 1 | 8.8 Ų | 8.8 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -74.2 | 0.4 | 174 | -68.1 | -177.4 | 0 | 0 | 0 | 114.4 | Y1092 Q1093 D1114 E1115 R1315 K1317 V1320 C1321 | Y1092-L1118 HydrophobicContact CE2-CB 3.98Å; Y1092-L1118 HydrophobicContact CE2-CD2 4.03Å; Y1092-L1118 VanDerWaalsContact CE2-O 3.28Å; Y1092-L1118 WeakPolarHBondContact CE2-O 3.34Å; Q1093-L1118 PolarHBondContact NE2-O 3Å; D1114-L1118 HydrophobicContact CB-CB 4.03Å; D1114-L1118 HydrophobicContact CB-CD1 3.99Å; E1115-L1118 HydrophobicContact CB-CD1 4.11Å; E1115-L1118 PolarHBondContact O-N 3.45Å; L1118-R1315 HydrophobicContact CD1-CB 4.44Å; L1118-R1315 WeakPolarHBondContact CD1-O 3.5Å; L1118-K1317 HydrophobicContact CD2-CG 4.01Å; L1118-K1317 HydrophobicContact CG-CG 4.27Å; L1118-V1320 HydrophobicContact CD1-CG2 3.92Å; L1118-V1320 HydrophobicContact CD2-CG2 3.5Å; L1118-V1320 VanDerWaalsContact CD2-CG2 3.5Å; L1118-V1320 HydrophobicContact CG-CG2 4.37Å; L1118-C1321 VanDerWaalsContact CD2-SG 3.54Å |
| 1119 | G | 82.2 | Confident | 85.4 | Confident | 20 Ų | 20 | 9.9 Ų | 9.9 | 21% | 0.206 | 6% | 0.061 | C | C | . | . | trans | 86.4 | 33.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G1117 T1121 L1122 Q1123 | G1117-G1119 PolarHBondContact O-N 3.48Å; G1119-T1121 PolarHBondContact O-N 3.13Å; G1119-L1122 PolarHBondContact O-N 3.26Å; G1119-Q1123 PolarHBondContact O-N 3.46Å | ||
| 1120 | K | 87.9 | Confident | 85.3 | Confident | 17 Ų | 17 | 10.2 Ų | 10.2 | 7% | 0.074 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -48 | -44.1 | 171.7 | -68.1 | -170.6 | -71.5 | -78.6 | 0 | 113 | L1112 D1114 E1115 L1122 Q1123 T1124 | L1112-K1120 HydrophobicContact CD2-CB 4.06Å; L1112-K1120 HydrophobicContact CD2-CG 3.96Å; L1112-K1120 HydrophobicContact CG-CD 4.43Å; L1112-K1120 HydrophobicContact CG-CG 4.17Å; D1114-K1120 HydrophobicContact CB-CD 4.1Å; D1114-K1120 HydrophobicContact CB-CG 3.75Å; D1114-K1120 WeakPolarHBondContact O-CD 3.42Å; D1114-K1120 PolarHBondContact O-NZ 3.33Å; E1115-K1120 PolarHBondContact O-NZ 3.28Å; K1120-L1122 PolarHBondContact O-N 2.86Å; K1120-Q1123 PolarHBondContact O-N 3.47Å; K1120-T1124 WeakPolarHBondContact O-CB 3.33Å; K1120-T1124 PolarHBondContact O-N 3.13Å; K1120-T1124 PolarHBondContact O-OG1 3.16Å |
| 1121 | T | 87.1 | Confident | 85.1 | Confident | 29 Ų | 29 | 10.2 Ų | 10.2 | 18% | 0.178 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -56.5 | -49.5 | 176.5 | -49.2 | 0 | 0 | 0 | 0 | 111.2 | G1119 T1124 L1125 W1157 E1160 | G1119-T1121 PolarHBondContact O-N 3.13Å; T1121-T1124 PolarHBondContact O-N 2.98Å; T1121-L1125 HydrophobicContact CG2-CD1 4.32Å; T1121-L1125 VanDerWaalsContact O-CG 3.31Å; T1121-L1125 WeakPolarHBondContact O-CG 3.06Å; T1121-L1125 PolarHBondContact O-N 3.4Å; T1121-W1157 HydrophobicContact CG2-CD2 3.89Å; T1121-W1157 HydrophobicContact CG2-CE3 3.6Å; T1121-W1157 HydrophobicContact CG2-CH2 3.75Å; T1121-W1157 HydrophobicContact CG2-CZ2 3.99Å; T1121-W1157 HydrophobicContact CG2-CZ3 3.54Å; T1121-E1160 HydrophobicContact CG2-CB 4.43Å |
| 1122 | L | 86.5 | Confident | 84.7 | Confident | 15 Ų | 15 | 10.2 Ų | 10.2 | 8% | 0.079 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.9 | -46 | 179.9 | 178 | 59.6 | 0 | 0 | 0 | 112 | L1089 G1119 K1120 T1124 L1125 C1126 F1164 | L1089-L1122 HydrophobicContact CD2-CD1 4.4Å; L1089-L1122 HydrophobicContact CD2-CD2 3.46Å; L1089-L1122 VanDerWaalsContact CD2-CD2 3.46Å; L1089-L1122 HydrophobicContact CD2-CG 3.69Å; G1119-L1122 PolarHBondContact O-N 3.26Å; K1120-L1122 PolarHBondContact O-N 2.86Å; L1122-T1124 VanDerWaalsContact C-N 3.26Å; L1122-T1124 PolarHBondContact O-N 3.03Å; L1122-L1125 PolarHBondContact O-N 2.84Å; L1122-C1126 PolarHBondContact O-N 3.18Å; L1122-C1126 PolarHBondContact O-SG 2.95Å; L1122-F1164 HydrophobicContact CB-CE2 4.24Å; L1122-F1164 HydrophobicContact CD1-CB 4.38Å; L1122-F1164 HydrophobicContact CD1-CD1 4.06Å; L1122-F1164 HydrophobicContact CD1-CD2 3.73Å; L1122-F1164 HydrophobicContact CD1-CE1 4.27Å; L1122-F1164 HydrophobicContact CD1-CE2 3.92Å; L1122-F1164 HydrophobicContact CD1-CG 3.81Å; L1122-F1164 HydrophobicContact CD1-CZ 4.21Å; L1122-F1164 HydrophobicContact CD2-CE1 4.34Å; L1122-F1164 HydrophobicContact CD2-CZ 4.28Å |
| 1123 | Q | 88.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -58 | -41.6 | 176.7 | -65.7 | 176.1 | 53.5 | 0 | 0 | 111.4 | Q1093 V1097 L1100 L1112 D1114 G1119 K1120 C1126 I1127 | Q1093-Q1123 HydrophobicContact CB-CG 4.12Å; Q1093-Q1123 HydrophobicContact CG-CG 4.42Å; V1097-Q1123 HydrophobicContact CG2-CB 4.12Å; V1097-Q1123 HydrophobicContact CG2-CG 4.31Å; L1100-Q1123 HydrophobicContact CD1-CB 4.46Å; L1112-Q1123 HydrophobicContact CD2-CB 4.27Å; D1114-Q1123 PolarHBondContact OD2-NE2 3.23Å; G1119-Q1123 PolarHBondContact O-N 3.46Å; K1120-Q1123 PolarHBondContact O-N 3.47Å; Q1123-C1126 PolarHBondContact O-N 3.29Å; Q1123-I1127 PolarHBondContact O-N 3.48Å |
| 1124 | T | 90.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.6 | -43.9 | 177.9 | -55.8 | 0 | 0 | 0 | 0 | 112 | K1120 T1121 L1122 C1126 I1127 I1128 W1157 V1214 L1241 L1243 | K1120-T1124 WeakPolarHBondContact O-CB 3.33Å; K1120-T1124 PolarHBondContact O-N 3.13Å; K1120-T1124 PolarHBondContact O-OG1 3.16Å; T1121-T1124 PolarHBondContact O-N 2.98Å; L1122-T1124 VanDerWaalsContact C-N 3.26Å; L1122-T1124 PolarHBondContact O-N 3.03Å; T1124-C1126 VanDerWaalsContact C-N 3.33Å; T1124-C1126 PolarHBondContact O-N 3.1Å; T1124-I1127 WeakPolarHBondContact O-CG2 3.39Å; T1124-I1127 PolarHBondContact O-N 3.35Å; T1124-I1128 HydrophobicContact CG2-CD1 3.86Å; T1124-I1128 HydrophobicContact CG2-CG1 4.45Å; T1124-I1128 VanDerWaalsContact O-CG1 3.3Å; T1124-I1128 WeakPolarHBondContact O-CG1 3.42Å; T1124-I1128 PolarHBondContact O-N 2.86Å; T1124-W1157 HydrophobicContact CG2-CH2 4.08Å; T1124-W1157 HydrophobicContact CG2-CZ3 4.44Å; T1124-V1214 HydrophobicContact CG2-CG1 4.02Å; T1124-V1214 HydrophobicContact CG2-CG2 3.82Å; T1124-L1241 HydrophobicContact CG2-CD2 3.82Å; T1124-L1243 HydrophobicContact CG2-CD1 4.26Å; T1124-L1243 WeakPolarHBondContact OG1-CD1 3.39Å; T1124-L1243 WeakPolarHBondContact OG1-CD2 3.47Å |
| 1125 | L | 88.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.5 | -37.9 | 177.3 | -70.1 | 176.8 | 0 | 0 | 0 | 112 | T1121 L1122 I1128 Y1129 W1157 V1161 F1165 L1190 | T1121-L1125 HydrophobicContact CG2-CD1 4.32Å; T1121-L1125 VanDerWaalsContact O-CG 3.31Å; T1121-L1125 WeakPolarHBondContact O-CG 3.06Å; T1121-L1125 PolarHBondContact O-N 3.4Å; L1122-L1125 PolarHBondContact O-N 2.84Å; L1125-I1128 PolarHBondContact O-N 3.46Å; L1125-Y1129 WeakPolarHBondContact O-CB 3.33Å; L1125-Y1129 PolarHBondContact O-N 3Å; L1125-W1157 HydrophobicContact CD2-CE3 4.02Å; L1125-W1157 HydrophobicContact CD2-CZ3 3.82Å; L1125-W1157 HydrophobicContact CG-CE3 4.31Å; L1125-W1157 HydrophobicContact CG-CZ3 3.9Å; L1125-V1161 HydrophobicContact CD1-CG2 3.78Å; L1125-V1161 HydrophobicContact CD2-CG2 3.58Å; L1125-V1161 HydrophobicContact CG-CG2 4.33Å; L1125-F1165 HydrophobicContact CB-CE2 3.85Å; L1125-F1165 HydrophobicContact CB-CZ 4.19Å; L1125-F1165 HydrophobicContact CD1-CE2 4.27Å; L1125-L1190 HydrophobicContact CD2-CD2 4.16Å |
| 1126 | C | 86.4 | Confident | 83.4 | Confident | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.014 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.2 | -45 | 175.3 | -70.3 | 0 | 0 | 0 | 0 | 112.1 | V1097 L1122 Q1123 T1124 Y1129 I1130 | V1097-C1126 HydrophobicContact CG1-CB 4.28Å; V1097-C1126 HydrophobicContact CG2-CB 3.82Å; L1122-C1126 PolarHBondContact O-N 3.18Å; L1122-C1126 PolarHBondContact O-SG 2.95Å; Q1123-C1126 PolarHBondContact O-N 3.29Å; T1124-C1126 VanDerWaalsContact C-N 3.33Å; T1124-C1126 PolarHBondContact O-N 3.1Å; C1126-Y1129 WeakPolarHBondContact O-CB 3.32Å; C1126-Y1129 PolarHBondContact O-N 2.94Å; C1126-I1130 VanDerWaalsContact O-CG1 3.3Å; C1126-I1130 WeakPolarHBondContact O-CG1 3.47Å; C1126-I1130 PolarHBondContact O-N 3.03Å |
| 1127 | I | 86.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.4 | -37.6 | 179 | -170.7 | 62.9 | 0 | 0 | 0 | 112.2 | L1100 K1104 Q1123 T1124 Y1129 I1130 A1131 Y1212 | L1100-I1127 HydrophobicContact CB-CB 4.16Å; L1100-I1127 HydrophobicContact CB-CD1 4.39Å; L1100-I1127 HydrophobicContact CB-CG1 4.01Å; L1100-I1127 HydrophobicContact CB-CG2 4.31Å; L1100-I1127 HydrophobicContact CD1-CB 4.43Å; L1100-I1127 HydrophobicContact CD1-CG2 3.94Å; K1104-I1127 HydrophobicContact CD-CD1 3.99Å; Q1123-I1127 PolarHBondContact O-N 3.48Å; T1124-I1127 WeakPolarHBondContact O-CG2 3.39Å; T1124-I1127 PolarHBondContact O-N 3.35Å; I1127-Y1129 VanDerWaalsContact C-N 3.31Å; I1127-Y1129 PolarHBondContact O-N 3.32Å; I1127-I1130 PolarHBondContact O-N 3.12Å; I1127-A1131 VanDerWaalsContact O-CB 3.31Å; I1127-A1131 WeakPolarHBondContact O-CB 3.31Å; I1127-A1131 PolarHBondContact O-N 2.97Å; I1127-Y1212 HydrophobicContact CG1-CE2 4.35Å; I1127-Y1212 WeakPolarHBondContact CG1-OH 3.34Å |
| 1128 | I | 87.7 | Confident | 83.4 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 174.2 | -68.6 | 171.1 | 0 | 0 | 0 | 109.7 | T1124 L1125 I1130 A1131 T1132 I1147 L1171 L1190 Y1212 V1214 | T1124-I1128 HydrophobicContact CG2-CD1 3.86Å; T1124-I1128 HydrophobicContact CG2-CG1 4.45Å; T1124-I1128 VanDerWaalsContact O-CG1 3.3Å; T1124-I1128 WeakPolarHBondContact O-CG1 3.42Å; T1124-I1128 PolarHBondContact O-N 2.86Å; L1125-I1128 PolarHBondContact O-N 3.46Å; I1128-I1130 PolarHBondContact O-N 3.16Å; I1128-A1131 PolarHBondContact O-N 3.45Å; I1128-T1132 WeakPolarHBondContact O-CB 3.24Å; I1128-T1132 PolarHBondContact O-N 2.8Å; I1128-T1132 PolarHBondContact O-OG1 3.25Å; I1128-T1132 VanDerWaalsContact O-OG1 3.14Å; I1128-I1147 HydrophobicContact CD1-CD1 4.01Å; I1128-I1147 HydrophobicContact CD1-CG1 4.3Å; I1128-L1171 HydrophobicContact CG2-CD2 3.95Å; I1128-L1190 HydrophobicContact CD1-CD1 4.38Å; I1128-L1190 HydrophobicContact CG2-CD1 4.26Å; I1128-Y1212 HydrophobicContact CG1-CG 4.35Å; I1128-V1214 HydrophobicContact CD1-CG2 4.03Å |
| 1129 | Y | 84.8 | Confident | 82.8 | Confident | 28 Ų | 28 | 38.2 Ų | 38.2 | 11% | 0.11 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.4 | -49.8 | 175.8 | -175.7 | -77.4 | 0 | 0 | 0 | 111.7 | P1082 A1084 L1125 C1126 I1127 A1131 T1132 S1133 F1165 P1170 L1171 | P1082-Y1129 HydrophobicContact CB-CD1 4.23Å; P1082-Y1129 HydrophobicContact CB-CE1 3.64Å; P1082-Y1129 HydrophobicContact CG-CD1 3.68Å; P1082-Y1129 HydrophobicContact CG-CE1 3.52Å; A1084-Y1129 HydrophobicContact CB-CE2 4.34Å; L1125-Y1129 WeakPolarHBondContact O-CB 3.33Å; L1125-Y1129 PolarHBondContact O-N 3Å; C1126-Y1129 WeakPolarHBondContact O-CB 3.32Å; C1126-Y1129 PolarHBondContact O-N 2.94Å; I1127-Y1129 VanDerWaalsContact C-N 3.31Å; I1127-Y1129 PolarHBondContact O-N 3.32Å; Y1129-A1131 VanDerWaalsContact C-N 3.34Å; Y1129-A1131 PolarHBondContact O-N 3.15Å; Y1129-T1132 PolarHBondContact O-N 2.82Å; Y1129-S1133 WeakPolarHBondContact CE1-OG 3.29Å; Y1129-S1133 VanDerWaalsContact O-CB 3.31Å; Y1129-S1133 WeakPolarHBondContact O-CB 3.12Å; Y1129-S1133 PolarHBondContact O-N 3.25Å; Y1129-S1133 PolarHBondContact O-OG 2.68Å; Y1129-F1165 AromaticContact CD2-CD1 3.75Å; Y1129-F1165 HydrophobicContact CD2-CD1 3.75Å; Y1129-F1165 AromaticContact CD2-CE1 3.51Å; Y1129-F1165 HydrophobicContact CD2-CE1 3.51Å; Y1129-F1165 HydrophobicContact CD2-CZ 4.29Å; Y1129-F1165 AromaticContact CE2-CD1 3.91Å; Y1129-F1165 HydrophobicContact CE2-CD1 3.91Å; Y1129-F1165 HydrophobicContact CE2-CE1 4.04Å; Y1129-F1165 HydrophobicContact CG-CE1 4.05Å; Y1129-P1170 HydrophobicContact CE2-CG 4.43Å; Y1129-L1171 HydrophobicContact CD2-CD1 3.82Å; Y1129-L1171 HydrophobicContact CD2-CG 4.01Å; Y1129-L1171 HydrophobicContact CG-CD1 4.34Å |
| 1130 | I | 82.5 | Confident | 82 | Confident | 16 Ų | 16 | 39 Ų | 39 | 8% | 0.082 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 179.2 | -69 | 165 | 0 | 0 | 0 | 109.9 | V1079 P1082 V1097 C1126 I1127 I1128 S1133 E1134 | V1079-I1130 HydrophobicContact CG1-CD1 4.41Å; P1082-I1130 HydrophobicContact CG-CG1 4.25Å; V1097-I1130 HydrophobicContact CG1-CD1 4.18Å; C1126-I1130 VanDerWaalsContact O-CG1 3.3Å; C1126-I1130 WeakPolarHBondContact O-CG1 3.47Å; C1126-I1130 PolarHBondContact O-N 3.03Å; I1127-I1130 PolarHBondContact O-N 3.12Å; I1128-I1130 PolarHBondContact O-N 3.16Å; I1130-S1133 PolarHBondContact O-N 3.11Å; I1130-E1134 WeakPolarHBondContact CG2-OE1 3.42Å; I1130-E1134 WeakPolarHBondContact O-CG 3.48Å; I1130-E1134 PolarHBondContact O-N 3.26Å |
| 1131 | A | 83.3 | Confident | 81 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1104 I1127 I1128 Y1129 S1133 A1135 L1211 Y1212 | K1104-A1131 HydrophobicContact CD-CB 3.91Å; K1104-A1131 VanDerWaalsContact CE-CB 3.48Å; I1127-A1131 VanDerWaalsContact O-CB 3.31Å; I1127-A1131 WeakPolarHBondContact O-CB 3.31Å; I1127-A1131 PolarHBondContact O-N 2.97Å; I1128-A1131 PolarHBondContact O-N 3.45Å; Y1129-A1131 VanDerWaalsContact C-N 3.34Å; Y1129-A1131 PolarHBondContact O-N 3.15Å; A1131-S1133 VanDerWaalsContact C-N 3.34Å; A1131-A1135 VanDerWaalsContact O-CB 3.25Å; A1131-A1135 WeakPolarHBondContact O-CB 3.4Å; A1131-A1135 PolarHBondContact O-N 3.16Å; A1131-L1211 HydrophobicContact CB-CD2 3.89Å; A1131-L1211 HydrophobicContact CB-CG 4.43Å; A1131-Y1212 HydrophobicContact CB-CD2 3.94Å; A1131-Y1212 HydrophobicContact CB-CE2 3.7Å |
| 1132 | T | 83 | Confident | 80.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 176.6 | -63.9 | 0 | 0 | 0 | 0 | 111 | I1128 Y1129 A1135 L1136 P1170 L1171 N1189 | I1128-T1132 WeakPolarHBondContact O-CB 3.24Å; I1128-T1132 PolarHBondContact O-N 2.8Å; I1128-T1132 PolarHBondContact O-OG1 3.25Å; I1128-T1132 VanDerWaalsContact O-OG1 3.14Å; Y1129-T1132 PolarHBondContact O-N 2.82Å; T1132-A1135 PolarHBondContact O-N 3.36Å; T1132-L1136 HydrophobicContact CG2-CD1 3.84Å; T1132-L1136 HydrophobicContact CG2-CG 4.34Å; T1132-L1136 WeakPolarHBondContact O-CB 3.44Å; T1132-L1136 WeakPolarHBondContact O-CG 3.41Å; T1132-L1136 PolarHBondContact O-N 3.12Å; T1132-P1170 HydrophobicContact CG2-CB 4.22Å; T1132-P1170 HydrophobicContact CG2-CG 4.34Å; T1132-L1171 HydrophobicContact CG2-CD2 4.39Å; T1132-N1189 HydrophobicContact CG2-CB 4.22Å |
| 1133 | S | 79.3 | Confident | 79.6 | Confident | 24 Ų | 24 | 47.6 Ų | 47.6 | 17% | 0.168 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -49.6 | 176.9 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | Y1129 I1130 A1131 A1135 L1136 E1137 | Y1129-S1133 WeakPolarHBondContact CE1-OG 3.29Å; Y1129-S1133 VanDerWaalsContact O-CB 3.31Å; Y1129-S1133 WeakPolarHBondContact O-CB 3.12Å; Y1129-S1133 PolarHBondContact O-N 3.25Å; Y1129-S1133 PolarHBondContact O-OG 2.68Å; I1130-S1133 PolarHBondContact O-N 3.11Å; A1131-S1133 VanDerWaalsContact C-N 3.34Å; S1133-A1135 VanDerWaalsContact C-N 3.33Å; S1133-A1135 PolarHBondContact O-N 3.4Å; S1133-L1136 PolarHBondContact O-N 3.12Å; S1133-E1137 WeakPolarHBondContact O-CG 3.35Å; S1133-E1137 PolarHBondContact O-N 2.93Å |
| 1134 | E | 79.8 | Confident | 79.4 | Confident | 60 Ų | 60 | 49.6 Ų | 49.6 | 28% | 0.28 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.5 | -38.1 | 176 | -73.7 | 179.2 | -140.7 | 0 | 0 | 112.9 | K1104 I1130 E1137 K1138 | K1104-E1134 IonicContact NZ-OE1 2.78Å; K1104-E1134 PolarHBondContact NZ-OE1 2.88Å; K1104-E1134 IonicContact NZ-OE2 3.42Å; K1104-E1134 PolarHBondContact NZ-OE2 3.24Å; I1130-E1134 WeakPolarHBondContact CG2-OE1 3.42Å; I1130-E1134 WeakPolarHBondContact O-CG 3.48Å; I1130-E1134 PolarHBondContact O-N 3.26Å; E1134-E1137 PolarHBondContact O-N 3.31Å; E1134-K1138 WeakPolarHBondContact O-CB 3.49Å; E1134-K1138 WeakPolarHBondContact O-CG 3.25Å; E1134-K1138 PolarHBondContact O-N 3.46Å; E1134-K1138 IonicContact OE2-NZ 2.71Å |
| 1135 | A | 78.2 | Confident | 79.3 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.8 | -40.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1131 T1132 S1133 K1139 S1140 L1211 | A1131-A1135 VanDerWaalsContact O-CB 3.25Å; A1131-A1135 WeakPolarHBondContact O-CB 3.4Å; A1131-A1135 PolarHBondContact O-N 3.16Å; T1132-A1135 PolarHBondContact O-N 3.36Å; S1133-A1135 VanDerWaalsContact C-N 3.33Å; S1133-A1135 PolarHBondContact O-N 3.4Å; A1135-K1139 PolarHBondContact O-N 3.13Å; A1135-K1139 VanDerWaalsContact O-N 3.15Å; A1135-S1140 PolarHBondContact O-N 3.31Å; A1135-L1211 HydrophobicContact CB-CD2 4.12Å |
| 1136 | L | 76.1 | Confident | 79.3 | Confident | 72 Ų | 72 | 49.6 Ų | 49.6 | 38% | 0.377 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.1 | -41.8 | 175.5 | -72 | 167.9 | 0 | 0 | 0 | 111.7 | T1132 S1133 K1138 K1139 Y1143 P1170 | T1132-L1136 HydrophobicContact CG2-CD1 3.84Å; T1132-L1136 HydrophobicContact CG2-CG 4.34Å; T1132-L1136 WeakPolarHBondContact O-CB 3.44Å; T1132-L1136 WeakPolarHBondContact O-CG 3.41Å; T1132-L1136 PolarHBondContact O-N 3.12Å; S1133-L1136 PolarHBondContact O-N 3.12Å; L1136-K1138 PolarHBondContact O-N 3.22Å; L1136-K1139 PolarHBondContact O-N 3.2Å; L1136-K1139 VanDerWaalsContact O-N 3.13Å; L1136-Y1143 HydrophobicContact CD2-CD2 4.25Å; L1136-Y1143 HydrophobicContact CD2-CG 4.21Å; L1136-P1170 HydrophobicContact CD1-CB 3.35Å; L1136-P1170 HydrophobicContact CD1-CG 4.24Å |
| 1137 | E | 76.8 | Confident | 79.6 | Confident | 161 Ų | 161 | 49.5 Ų | 49.5 | 75% | 0.752 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61.3 | -43 | 175 | -75.5 | 176.1 | -178 | 0 | 0 | 112.1 | S1133 E1134 K1139 | S1133-E1137 WeakPolarHBondContact O-CG 3.35Å; S1133-E1137 PolarHBondContact O-N 2.93Å; E1134-E1137 PolarHBondContact O-N 3.31Å; E1137-K1139 PolarHBondContact O-N 2.84Å |
| 1138 | K | 75 | Confident | 79.7 | Confident | 160 Ų | 160 | 49.5 Ų | 49.5 | 70% | 0.696 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -3 | 176.6 | -70.2 | 174.1 | -179.2 | 168.9 | 0 | 113.7 | E1134 L1136 S1140 | E1134-K1138 WeakPolarHBondContact O-CB 3.49Å; E1134-K1138 WeakPolarHBondContact O-CG 3.25Å; E1134-K1138 PolarHBondContact O-N 3.46Å; E1134-K1138 IonicContact OE2-NZ 2.71Å; L1136-K1138 PolarHBondContact O-N 3.22Å; K1138-S1140 PolarHBondContact O-N 3.38Å |
| 1139 | K | 68.3 | Low | 79.7 | Confident | 188 Ų | 188 | 49.5 Ų | 49.5 | 82% | 0.817 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 41.4 | -172.2 | -59.7 | -178.1 | 179.2 | 178.3 | 0 | 112.8 | A1135 L1136 E1137 | A1135-K1139 PolarHBondContact O-N 3.13Å; A1135-K1139 VanDerWaalsContact O-N 3.15Å; L1136-K1139 PolarHBondContact O-N 3.2Å; L1136-K1139 VanDerWaalsContact O-N 3.13Å; E1137-K1139 PolarHBondContact O-N 2.84Å |
| 1140 | S | 65.3 | Low | 79.5 | Confident | 37 Ų | 37 | 49.6 Ų | 49.6 | 26% | 0.259 | 24% | 0.244 | S | C | . | . | trans | -71.1 | 135.1 | 175.2 | 166.4 | 0 | 0 | 0 | 0 | 110.2 | A1135 K1138 V1142 | A1135-S1140 PolarHBondContact O-N 3.31Å; K1138-S1140 PolarHBondContact O-N 3.38Å; S1140-V1142 PolarHBondContact O-N 3.38Å; S1140-V1142 PolarHBondContact OG-N 3.05Å; S1140-V1142 PolarHBondContact OG-O 2.76Å | ||
| 1141 | D | 65.6 | Low | 79.2 | Confident | 159 Ų | 159 | 53.4 Ų | 53.4 | 85% | 0.85 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -61.9 | -22.7 | 174.8 | -67.9 | -32.5 | 0 | 0 | 0 | 112.7 | ||
| 1142 | V | 70 | Confident | 78.6 | Confident | 25 Ų | 25 | 56.2 Ų | 56.2 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | trans | -101.7 | 94.1 | 178.6 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | S1140 T1209 L1211 K1238 | S1140-V1142 PolarHBondContact O-N 3.38Å; S1140-V1142 PolarHBondContact OG-N 3.05Å; S1140-V1142 PolarHBondContact OG-O 2.76Å; V1142-T1209 HydrophobicContact CG1-CG2 4.47Å; V1142-T1209 WeakPolarHBondContact CG1-O 2.9Å; V1142-T1209 HydrophobicContact CG2-CG2 4.3Å; V1142-L1211 HydrophobicContact CG1-CB 4.05Å; V1142-K1238 HydrophobicContact CB-CD 4.3Å; V1142-K1238 HydrophobicContact CG1-CD 3.96Å; V1142-K1238 HydrophobicContact CG1-CG 4.38Å | ||
| 1143 | Y | 75.4 | Confident | 78.4 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 23% | 0.227 | 28% | 0.283 | C | S | . | . | trans | -124.9 | -5.5 | 177 | 61.2 | -90.3 | 0 | 0 | 0 | 114 | L1136 N1189 | L1136-Y1143 HydrophobicContact CD2-CD2 4.25Å; L1136-Y1143 HydrophobicContact CD2-CG 4.21Å; Y1143-N1189 VanDerWaalsContact CD2-OD1 3.27Å; Y1143-N1189 WeakPolarHBondContact CD2-OD1 3.34Å; Y1143-N1189 WeakPolarHBondContact CE2-OD1 3.32Å | ||
| 1144 | K | 83.8 | Confident | 78.5 | Confident | 42 Ų | 42 | 56.5 Ų | 56.5 | 18% | 0.183 | 28% | 0.276 | C | S | . | . | trans | -84.4 | 139.4 | 179.2 | -61.7 | -179.7 | -178.4 | -178.5 | 0 | 111.5 | L1183 N1189 F1191 W1210 L1211 | K1144-L1183 PolarHBondContact NZ-O 2.91Å; K1144-N1189 CarbonylContact C-O 3.59Å; K1144-N1189 WeakPolarHBondContact CA-O 3.3Å; K1144-F1191 HydrophobicContact CB-CE2 4.37Å; K1144-F1191 HydrophobicContact CD-CE2 3.94Å; K1144-F1191 HydrophobicContact CG-CE2 4.23Å; K1144-W1210 HydrophobicContact CB-CE3 4.12Å; K1144-W1210 HydrophobicContact CB-CZ3 4.07Å; K1144-L1211 WeakPolarHBondContact O-CB 3.38Å; K1144-L1211 PolarHBondContact O-N 2.87Å | ||
| 1145 | S | 88.5 | Confident | 78.2 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 148.8 | 176.6 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | N1189 F1191 Y1212 | S1145-N1189 PolarHBondContact N-O 2.88Å; S1145-F1191 PolarHBondContact O-N 3.38Å; S1145-Y1212 WeakPolarHBondContact CA-O 3.38Å |
| 1146 | L | 89.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.6 | -179.3 | 178.2 | 65.8 | 0 | 0 | 0 | 110.9 | L1148 F1191 A1193 I1205 W1210 Y1212 C1213 V1214 I1235 | L1146-L1148 HydrophobicContact CD2-CD1 4.3Å; L1146-L1148 HydrophobicContact CD2-CG 4.24Å; L1146-L1148 HydrophobicContact CG-CG 4.25Å; L1146-F1191 CarbonylContact C-O 3.58Å; L1146-F1191 WeakPolarHBondContact CA-O 3.27Å; L1146-F1191 HydrophobicContact CD1-CB 4.15Å; L1146-A1193 HydrophobicContact CD1-CB 4.2Å; L1146-I1205 HydrophobicContact CD2-CG2 3.93Å; L1146-W1210 HydrophobicContact CB-CD2 3.56Å; L1146-W1210 HydrophobicContact CB-CE3 3.56Å; L1146-W1210 HydrophobicContact CB-CG 4.03Å; L1146-W1210 HydrophobicContact CB-CH2 4.26Å; L1146-W1210 HydrophobicContact CB-CZ2 4.3Å; L1146-W1210 HydrophobicContact CB-CZ3 3.91Å; L1146-W1210 HydrophobicContact CD1-CH2 4.33Å; L1146-W1210 HydrophobicContact CD1-CZ2 4.39Å; L1146-W1210 HydrophobicContact CD2-CD2 4.35Å; L1146-W1210 HydrophobicContact CD2-CZ2 4.28Å; L1146-Y1212 PolarHBondContact N-O 2.97Å; L1146-C1213 WeakPolarHBondContact O-CA 3.41Å; L1146-V1214 PolarHBondContact O-N 3.29Å; L1146-I1235 HydrophobicContact CD2-CD1 4.45Å; L1146-I1235 HydrophobicContact CD2-CG2 4.36Å |
| 1147 | I | 91.2 | Very high | 78.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 121.5 | 170.6 | -57.6 | -179.4 | 0 | 0 | 0 | 108.2 | I1128 W1157 L1190 F1191 I1192 A1193 V1214 | I1128-I1147 HydrophobicContact CD1-CD1 4.01Å; I1128-I1147 HydrophobicContact CD1-CG1 4.3Å; I1147-W1157 HydrophobicContact CD1-CD2 4.29Å; I1147-W1157 HydrophobicContact CD1-CE3 3.61Å; I1147-W1157 HydrophobicContact CD1-CH2 4.33Å; I1147-W1157 HydrophobicContact CD1-CZ3 3.63Å; I1147-W1157 HydrophobicContact CG2-CD2 4.17Å; I1147-W1157 HydrophobicContact CG2-CE3 4.48Å; I1147-W1157 HydrophobicContact CG2-CZ2 4.31Å; I1147-L1190 HydrophobicContact CD1-CD1 3.79Å; I1147-L1190 HydrophobicContact CD1-CD2 4.27Å; I1147-L1190 HydrophobicContact CD1-CG 4.4Å; I1147-L1190 HydrophobicContact CG1-CD1 3.91Å; I1147-F1191 PolarHBondContact N-O 3.26Å; I1147-I1192 HydrophobicContact CB-CG1 4.34Å; I1147-I1192 WeakPolarHBondContact O-CA 3.46Å; I1147-A1193 PolarHBondContact O-N 3.45Å; I1147-V1214 HydrophobicContact CG1-CB 4.18Å; I1147-V1214 HydrophobicContact CG1-CG2 4.36Å; I1147-V1214 HydrophobicContact CG2-CB 4.43Å |
| 1148 | L | 89.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 120.5 | 172.5 | -68.5 | 164.2 | 0 | 0 | 0 | 108.7 | L1146 A1193 Y1195 L1198 V1214 L1215 D1216 I1235 | L1146-L1148 HydrophobicContact CD2-CD1 4.3Å; L1146-L1148 HydrophobicContact CD2-CG 4.24Å; L1146-L1148 HydrophobicContact CG-CG 4.25Å; L1148-A1193 WeakPolarHBondContact CA-O 3.39Å; L1148-A1193 HydrophobicContact CD2-CB 4.01Å; L1148-Y1195 HydrophobicContact CB-CD1 4.37Å; L1148-Y1195 HydrophobicContact CB-CE1 4.06Å; L1148-L1198 HydrophobicContact CD1-CD1 3.75Å; L1148-L1198 HydrophobicContact CD1-CD2 4.43Å; L1148-L1198 HydrophobicContact CD1-CG 4.43Å; L1148-L1198 HydrophobicContact CD2-CD1 4.1Å; L1148-L1198 HydrophobicContact CD2-CD2 4.18Å; L1148-L1198 HydrophobicContact CD2-CG 4.01Å; L1148-V1214 PolarHBondContact N-O 3.42Å; L1148-L1215 HydrophobicContact CB-CD2 3.7Å; L1148-L1215 HydrophobicContact CD1-CD2 3.38Å; L1148-L1215 HydrophobicContact CG-CD2 4.14Å; L1148-D1216 PolarHBondContact O-N 3.39Å; L1148-I1235 HydrophobicContact CD1-CD1 3.56Å |
| 1149 | C | 86.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 164.2 | -179.9 | 64.9 | 0 | 0 | 0 | 0 | 111.3 | L1153 V1154 A1193 S1194 Y1195 D1216 | C1149-L1153 HydrophobicContact CB-CB 4.22Å; C1149-V1154 WeakPolarHBondContact SG-CG2 3.44Å; C1149-A1193 PolarHBondContact N-O 3.26Å; C1149-A1193 VanDerWaalsContact N-O 3.09Å; C1149-S1194 VanDerWaalsContact O-CA 3.3Å; C1149-S1194 WeakPolarHBondContact O-CA 3.35Å; C1149-Y1195 VanDerWaalsContact C-CD2 3.49Å; C1149-Y1195 WeakPolarHBondContact O-CD2 3.14Å; C1149-Y1195 PolarHBondContact O-N 2.86Å; C1149-D1216 HydrophobicContact CB-CB 3.76Å |
| 1150 | P | 82.1 | Confident | 79.4 | Confident | 30 Ų | 30 | 37.9 Ų | 37.9 | 20% | 0.195 | 21% | 0.21 | C | C | . | . | trans | -54.2 | 146.4 | 166.4 | -23.3 | 33.3 | 0 | 0 | 0 | 111 | T1152 L1153 V1154 E1217 L1220 | P1150-T1152 PolarHBondContact O-N 3.27Å; P1150-L1153 HydrophobicContact CB-CG 4.49Å; P1150-L1153 HydrophobicContact CG-CD1 4.21Å; P1150-L1153 PolarHBondContact O-N 3Å; P1150-V1154 PolarHBondContact O-N 2.76Å; P1150-E1217 HydrophobicContact CG-CB 4.03Å; P1150-E1217 HydrophobicContact CG-CG 4.06Å; P1150-L1220 HydrophobicContact CG-CD1 4.12Å | ||
| 1151 | K | 76.5 | Confident | 80.1 | Confident | 96 Ų | 96 | 36.4 Ų | 36.4 | 42% | 0.417 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -53.8 | -33 | -177.4 | -172.9 | 171.7 | -168 | 163.5 | 0 | 113.7 | L1153 V1154 E1196 | K1151-L1153 VanDerWaalsContact C-N 3.29Å; K1151-L1153 PolarHBondContact O-N 3.09Å; K1151-V1154 WeakPolarHBondContact O-CB 3.42Å; K1151-E1196 IonicContact NZ-OE2 2.82Å; K1151-E1196 PolarHBondContact NZ-OE2 2.75Å |
| 1152 | T | 70.5 | Confident | 80.8 | Confident | 61 Ų | 61 | 32.3 Ų | 32.3 | 37% | 0.374 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -69.7 | -22.9 | 177.8 | 50.4 | 0 | 0 | 0 | 0 | 114 | P1150 L1524 | P1150-T1152 PolarHBondContact O-N 3.27Å; T1152-L1524 HydrophobicContact CG2-CD2 3.98Å |
| 1153 | L | 78.1 | Confident | 81.2 | Confident | 24 Ų | 24 | 35.5 Ų | 35.5 | 13% | 0.126 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -94.9 | -11.6 | -178.4 | -60.1 | -174 | 0 | 0 | 0 | 113.2 | C1149 P1150 K1151 S1155 H1156 W1157 D1216 E1217 | C1149-L1153 HydrophobicContact CB-CB 4.22Å; P1150-L1153 HydrophobicContact CB-CG 4.49Å; P1150-L1153 HydrophobicContact CG-CD1 4.21Å; P1150-L1153 PolarHBondContact O-N 3Å; K1151-L1153 VanDerWaalsContact C-N 3.29Å; K1151-L1153 PolarHBondContact O-N 3.09Å; L1153-S1155 PolarHBondContact O-N 3.27Å; L1153-H1156 WeakPolarHBondContact O-CA 3.34Å; L1153-H1156 WeakPolarHBondContact O-CB 3.33Å; L1153-H1156 PolarHBondContact O-N 2.96Å; L1153-W1157 PolarHBondContact O-N 3.46Å; L1153-D1216 WeakPolarHBondContact CD1-OD2 3.4Å; L1153-E1217 HydrophobicContact CD1-CG 4.35Å |
| 1154 | V | 80.3 | Confident | 81.2 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -52.6 | -55.2 | 180 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | C1149 P1150 K1151 H1156 W1157 S1158 M1175 I1192 | C1149-V1154 WeakPolarHBondContact SG-CG2 3.44Å; P1150-V1154 PolarHBondContact O-N 2.76Å; K1151-V1154 WeakPolarHBondContact O-CB 3.42Å; V1154-H1156 VanDerWaalsContact C-N 3.31Å; V1154-H1156 PolarHBondContact O-N 3.13Å; V1154-W1157 PolarHBondContact O-N 3.44Å; V1154-S1158 PolarHBondContact O-N 3.35Å; V1154-M1175 HydrophobicContact CB-CE 4.07Å; V1154-M1175 HydrophobicContact CG1-CE 3.05Å; V1154-M1175 WeakPolarHBondContact O-CE 3.38Å; V1154-I1192 HydrophobicContact CG1-CG2 4.35Å; V1154-I1192 HydrophobicContact CG2-CG2 4.48Å |
| 1155 | S | 73.5 | Confident | 80.9 | Confident | 75 Ų | 75 | 31.9 Ų | 31.9 | 52% | 0.524 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.5 | -35.2 | 175.9 | -178.3 | 0 | 0 | 0 | 0 | 113.4 | L1153 S1158 S1159 | L1153-S1155 PolarHBondContact O-N 3.27Å; S1155-S1158 PolarHBondContact O-N 3.2Å; S1155-S1159 WeakPolarHBondContact O-CB 3.48Å; S1155-S1159 PolarHBondContact O-N 2.92Å; S1155-S1159 PolarHBondContact O-OG 2.94Å |
| 1156 | H | 77.5 | Confident | 79.5 | Confident | 56 Ų | 56 | 39 Ų | 39 | 26% | 0.259 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.6 | -44.2 | 179.7 | 176.4 | -87.8 | 0 | 0 | 0 | 111.8 | L1153 V1154 S1158 S1159 E1160 | L1153-H1156 WeakPolarHBondContact O-CA 3.34Å; L1153-H1156 WeakPolarHBondContact O-CB 3.33Å; L1153-H1156 PolarHBondContact O-N 2.96Å; V1154-H1156 VanDerWaalsContact C-N 3.31Å; V1154-H1156 PolarHBondContact O-N 3.13Å; H1156-S1158 PolarHBondContact O-N 3.24Å; H1156-S1159 PolarHBondContact O-N 3.34Å; H1156-E1160 WeakPolarHBondContact O-CG 3.48Å; H1156-E1160 PolarHBondContact O-N 2.73Å |
| 1157 | W | 83.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.3 | -44.4 | 175.6 | -84 | 95.8 | 0 | 0 | 0 | 112 | T1121 T1124 L1125 I1147 L1153 V1154 S1159 E1160 V1161 I1192 D1216 L1243 | T1121-W1157 HydrophobicContact CG2-CD2 3.89Å; T1121-W1157 HydrophobicContact CG2-CE3 3.6Å; T1121-W1157 HydrophobicContact CG2-CH2 3.75Å; T1121-W1157 HydrophobicContact CG2-CZ2 3.99Å; T1121-W1157 HydrophobicContact CG2-CZ3 3.54Å; T1124-W1157 HydrophobicContact CG2-CH2 4.08Å; T1124-W1157 HydrophobicContact CG2-CZ3 4.44Å; L1125-W1157 HydrophobicContact CD2-CE3 4.02Å; L1125-W1157 HydrophobicContact CD2-CZ3 3.82Å; L1125-W1157 HydrophobicContact CG-CE3 4.31Å; L1125-W1157 HydrophobicContact CG-CZ3 3.9Å; I1147-W1157 HydrophobicContact CD1-CD2 4.29Å; I1147-W1157 HydrophobicContact CD1-CE3 3.61Å; I1147-W1157 HydrophobicContact CD1-CH2 4.33Å; I1147-W1157 HydrophobicContact CD1-CZ3 3.63Å; I1147-W1157 HydrophobicContact CG2-CD2 4.17Å; I1147-W1157 HydrophobicContact CG2-CE3 4.48Å; I1147-W1157 HydrophobicContact CG2-CZ2 4.31Å; L1153-W1157 PolarHBondContact O-N 3.46Å; V1154-W1157 PolarHBondContact O-N 3.44Å; W1157-S1159 PolarHBondContact O-N 3.33Å; W1157-E1160 PolarHBondContact O-N 3.49Å; W1157-V1161 VanDerWaalsContact O-CG2 3.31Å; W1157-V1161 WeakPolarHBondContact O-CG2 3.5Å; W1157-V1161 PolarHBondContact O-N 3.16Å; W1157-I1192 HydrophobicContact CB-CD1 3.64Å; W1157-I1192 HydrophobicContact CB-CG1 4.44Å; W1157-I1192 HydrophobicContact CB-CG2 4.3Å; W1157-D1216 HydrophobicContact CZ2-CB 4.23Å; W1157-D1216 PolarHBondContact NE1-OD2 3.48Å; W1157-L1243 HydrophobicContact CH2-CD1 3.82Å; W1157-L1243 HydrophobicContact CZ2-CD1 3.8Å |
| 1158 | S | 78.9 | Confident | 76.5 | Confident | 32 Ų | 32 | 55.2 Ų | 55.2 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 176.4 | -175.4 | 0 | 0 | 0 | 0 | 112.6 | V1154 S1155 H1156 V1161 T1162 | V1154-S1158 PolarHBondContact O-N 3.35Å; S1155-S1158 PolarHBondContact O-N 3.2Å; H1156-S1158 PolarHBondContact O-N 3.24Å; S1158-V1161 PolarHBondContact O-N 2.75Å; S1158-T1162 PolarHBondContact O-N 3.24Å; S1158-T1162 VanDerWaalsContact O-N 3.1Å; S1158-T1162 PolarHBondContact O-OG1 2.82Å |
| 1159 | S | 77.7 | Confident | 75.1 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 178.2 | -58 | 0 | 0 | 0 | 0 | 111.9 | S1155 H1156 W1157 T1162 K1163 | S1155-S1159 WeakPolarHBondContact O-CB 3.48Å; S1155-S1159 PolarHBondContact O-N 2.92Å; S1155-S1159 PolarHBondContact O-OG 2.94Å; H1156-S1159 PolarHBondContact O-N 3.34Å; W1157-S1159 PolarHBondContact O-N 3.33Å; S1159-T1162 PolarHBondContact O-N 2.73Å; S1159-K1163 VanDerWaalsContact O-CB 3.22Å; S1159-K1163 WeakPolarHBondContact O-CB 3.41Å; S1159-K1163 PolarHBondContact O-N 3.31Å |
| 1160 | E | 82.3 | Confident | 74.1 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 15% | 0.15 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.5 | -35.1 | 179 | -69.5 | -64.8 | 136 | 0 | 0 | 112.1 | T1121 H1156 W1157 K1163 F1164 | T1121-E1160 HydrophobicContact CG2-CB 4.43Å; H1156-E1160 WeakPolarHBondContact O-CG 3.48Å; H1156-E1160 PolarHBondContact O-N 2.73Å; W1157-E1160 PolarHBondContact O-N 3.49Å; E1160-K1163 VanDerWaalsContact CD-NZ 3.3Å; E1160-K1163 PolarHBondContact O-N 3Å; E1160-K1163 IonicContact OE1-NZ 2.73Å; E1160-K1163 PolarHBondContact OE1-NZ 3.4Å; E1160-K1163 IonicContact OE2-NZ 3.24Å; E1160-K1163 PolarHBondContact OE2-NZ 2.79Å; E1160-F1164 HydrophobicContact CB-CD2 4.23Å; E1160-F1164 HydrophobicContact CB-CE2 4.08Å; E1160-F1164 HydrophobicContact CG-CE2 4.47Å; E1160-F1164 WeakPolarHBondContact O-CD2 3.47Å; E1160-F1164 PolarHBondContact O-N 3.06Å; E1160-F1164 WeakPolarHBondContact OE2-CE2 2.92Å; E1160-F1164 WeakPolarHBondContact OE2-CZ 3.09Å |
| 1161 | V | 81 | Confident | 73.4 | Confident | 6 Ų | 6 | 58 Ų | 58 | 4% | 0.036 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.5 | -49.5 | 171.8 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | L1125 W1157 S1158 K1163 F1164 F1165 V1173 L1190 | L1125-V1161 HydrophobicContact CD1-CG2 3.78Å; L1125-V1161 HydrophobicContact CD2-CG2 3.58Å; L1125-V1161 HydrophobicContact CG-CG2 4.33Å; W1157-V1161 VanDerWaalsContact O-CG2 3.31Å; W1157-V1161 WeakPolarHBondContact O-CG2 3.5Å; W1157-V1161 PolarHBondContact O-N 3.16Å; S1158-V1161 PolarHBondContact O-N 2.75Å; V1161-K1163 VanDerWaalsContact C-N 3.3Å; V1161-K1163 PolarHBondContact O-N 3.47Å; V1161-F1164 PolarHBondContact O-N 3.49Å; V1161-F1165 HydrophobicContact CG1-CD2 4.25Å; V1161-F1165 WeakPolarHBondContact O-CD2 3.25Å; V1161-F1165 PolarHBondContact O-N 3.13Å; V1161-V1173 HydrophobicContact CB-CG2 3.87Å; V1161-V1173 HydrophobicContact CG1-CG2 3.47Å; V1161-V1173 VanDerWaalsContact CG1-CG2 3.47Å; V1161-V1173 HydrophobicContact CG2-CG2 4.08Å; V1161-L1190 HydrophobicContact CG2-CD2 4.02Å |
| 1162 | T | 79.1 | Confident | 73.1 | Confident | 72 Ų | 72 | 59.3 Ų | 59.3 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 179.6 | -50 | 0 | 0 | 0 | 0 | 111.3 | S1158 S1159 F1166 | S1158-T1162 PolarHBondContact O-N 3.24Å; S1158-T1162 VanDerWaalsContact O-N 3.1Å; S1158-T1162 PolarHBondContact O-OG1 2.82Å; S1159-T1162 PolarHBondContact O-N 2.73Å; T1162-F1166 VanDerWaalsContact O-CA 3.3Å; T1162-F1166 WeakPolarHBondContact O-CA 3.5Å; T1162-F1166 PolarHBondContact O-N 3.07Å |
| 1163 | K | 78.2 | Confident | 73.4 | Confident | 93 Ų | 93 | 58.4 Ų | 58.4 | 40% | 0.404 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | -179.5 | 176.6 | -174.3 | 171.1 | -159.8 | 0 | 113.8 | S1159 E1160 V1161 | S1159-K1163 VanDerWaalsContact O-CB 3.22Å; S1159-K1163 WeakPolarHBondContact O-CB 3.41Å; S1159-K1163 PolarHBondContact O-N 3.31Å; E1160-K1163 VanDerWaalsContact CD-NZ 3.3Å; E1160-K1163 PolarHBondContact O-N 3Å; E1160-K1163 IonicContact OE1-NZ 2.73Å; E1160-K1163 PolarHBondContact OE1-NZ 3.4Å; E1160-K1163 IonicContact OE2-NZ 3.24Å; E1160-K1163 PolarHBondContact OE2-NZ 2.79Å; V1161-K1163 VanDerWaalsContact C-N 3.3Å; V1161-K1163 PolarHBondContact O-N 3.47Å |
| 1164 | F | 76.6 | Confident | 73.4 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 7% | 0.066 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -85.9 | -29.5 | -175.8 | -68.3 | -55.1 | 0 | 0 | 0 | 113.8 | N1086 L1122 E1160 V1161 | N1086-F1164 PolarHBondContact N-O 2.97Å; L1122-F1164 HydrophobicContact CB-CE2 4.24Å; L1122-F1164 HydrophobicContact CD1-CB 4.38Å; L1122-F1164 HydrophobicContact CD1-CD1 4.06Å; L1122-F1164 HydrophobicContact CD1-CD2 3.73Å; L1122-F1164 HydrophobicContact CD1-CE1 4.27Å; L1122-F1164 HydrophobicContact CD1-CE2 3.92Å; L1122-F1164 HydrophobicContact CD1-CG 3.81Å; L1122-F1164 HydrophobicContact CD1-CZ 4.21Å; L1122-F1164 HydrophobicContact CD2-CE1 4.34Å; L1122-F1164 HydrophobicContact CD2-CZ 4.28Å; E1160-F1164 HydrophobicContact CB-CD2 4.23Å; E1160-F1164 HydrophobicContact CB-CE2 4.08Å; E1160-F1164 HydrophobicContact CG-CE2 4.47Å; E1160-F1164 WeakPolarHBondContact O-CD2 3.47Å; E1160-F1164 PolarHBondContact O-N 3.06Å; E1160-F1164 WeakPolarHBondContact OE2-CE2 2.92Å; E1160-F1164 WeakPolarHBondContact OE2-CZ 3.09Å; V1161-F1164 PolarHBondContact O-N 3.49Å |
| 1165 | F | 76.3 | Confident | 73 | Confident | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.035 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -110.2 | -13.1 | -175.2 | -59.6 | -81.1 | 0 | 0 | 0 | 114.2 | V1085 L1125 Y1129 V1161 D1167 R1168 L1171 | V1085-F1165 HydrophobicContact CG2-CE1 4.12Å; L1125-F1165 HydrophobicContact CB-CE2 3.85Å; L1125-F1165 HydrophobicContact CB-CZ 4.19Å; L1125-F1165 HydrophobicContact CD1-CE2 4.27Å; Y1129-F1165 AromaticContact CD2-CD1 3.75Å; Y1129-F1165 HydrophobicContact CD2-CD1 3.75Å; Y1129-F1165 AromaticContact CD2-CE1 3.51Å; Y1129-F1165 HydrophobicContact CD2-CE1 3.51Å; Y1129-F1165 HydrophobicContact CD2-CZ 4.29Å; Y1129-F1165 AromaticContact CE2-CD1 3.91Å; Y1129-F1165 HydrophobicContact CE2-CD1 3.91Å; Y1129-F1165 HydrophobicContact CE2-CE1 4.04Å; Y1129-F1165 HydrophobicContact CG-CE1 4.05Å; V1161-F1165 HydrophobicContact CG1-CD2 4.25Å; V1161-F1165 WeakPolarHBondContact O-CD2 3.25Å; V1161-F1165 PolarHBondContact O-N 3.13Å; F1165-D1167 PolarHBondContact O-N 3.32Å; F1165-R1168 WeakPolarHBondContact O-CA 3.16Å; F1165-R1168 WeakPolarHBondContact O-CB 3.5Å; F1165-R1168 PolarHBondContact O-N 2.81Å; F1165-L1171 HydrophobicContact CE2-CD1 4.37Å; F1165-L1171 HydrophobicContact CZ-CD1 4.47Å |
| 1166 | F | 60.8 | Low | 72.8 | Confident | 150 Ų | 150 | 58.7 Ų | 58.7 | 66% | 0.658 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.4 | 42.3 | 173.3 | -118.8 | -81.4 | 0 | 0 | 0 | 113.8 | T1162 R1168 | T1162-F1166 VanDerWaalsContact O-CA 3.3Å; T1162-F1166 WeakPolarHBondContact O-CA 3.5Å; T1162-F1166 PolarHBondContact O-N 3.07Å; F1166-R1168 PolarHBondContact O-N 2.93Å; F1166-R1168 VanDerWaalsContact O-N 3.08Å |
| 1167 | D | 61 | Low | 71.9 | Confident | 147 Ų | 147 | 59.4 Ų | 59.4 | 79% | 0.786 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 9.3 | -172.7 | -65.6 | -25.3 | 0 | 0 | 0 | 116.6 | F1165 | F1165-D1167 PolarHBondContact O-N 3.32Š|
| 1168 | R | 56.1 | Low | 70.5 | Confident | 194 Ų | 194 | 67.4 Ų | 67.4 | 73% | 0.732 | 34% | 0.338 | S | S | * | . | trans | -88.4 | 105.6 | 172.1 | -63.3 | -172 | 178.2 | -173.4 | 0.2 | 110.4 | F1165 F1166 | F1165-R1168 WeakPolarHBondContact O-CA 3.16Å; F1165-R1168 WeakPolarHBondContact O-CB 3.5Å; F1165-R1168 PolarHBondContact O-N 2.81Å; F1166-R1168 PolarHBondContact O-N 2.93Å; F1166-R1168 VanDerWaalsContact O-N 3.08Å | ||
| 1169 | G | 60.3 | Low | 69.1 | Low | 41 Ų | 41 | 72.9 Ų | 72.9 | 42% | 0.423 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 132.6 | -178.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1171 | G1169-L1171 VanDerWaalsContact C-N 3.27Å; G1169-L1171 PolarHBondContact O-N 3.31Å |
| 1170 | P | 64.7 | Low | 67.5 | Low | 30 Ų | 30 | 78.1 Ų | 78.1 | 20% | 0.195 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -78 | -5.5 | -174.3 | 30.6 | -34.5 | 0 | 0 | 0 | 114.3 | Y1129 T1132 L1136 R1172 N1189 | Y1129-P1170 HydrophobicContact CE2-CG 4.43Å; T1132-P1170 HydrophobicContact CG2-CB 4.22Å; T1132-P1170 HydrophobicContact CG2-CG 4.34Å; L1136-P1170 HydrophobicContact CD1-CB 3.35Å; L1136-P1170 HydrophobicContact CD1-CG 4.24Å; P1170-R1172 PolarHBondContact O-N 3.07Å; P1170-N1189 PolarHBondContact O-ND2 3.06Å |
| 1171 | L | 68.6 | Low | 65.7 | Low | 17 Ų | 17 | 80.1 Ų | 80.1 | 9% | 0.089 | 40% | 0.403 | C | S | . | . | trans | -83.7 | 100.9 | -174.6 | -64.6 | -178.5 | 0 | 0 | 0 | 111.2 | I1128 Y1129 T1132 F1165 G1169 | I1128-L1171 HydrophobicContact CG2-CD2 3.95Å; Y1129-L1171 HydrophobicContact CD2-CD1 3.82Å; Y1129-L1171 HydrophobicContact CD2-CG 4.01Å; Y1129-L1171 HydrophobicContact CG-CD1 4.34Å; T1132-L1171 HydrophobicContact CG2-CD2 4.39Å; F1165-L1171 HydrophobicContact CE2-CD1 4.37Å; F1165-L1171 HydrophobicContact CZ-CD1 4.47Å; G1169-L1171 VanDerWaalsContact C-N 3.27Å; G1169-L1171 PolarHBondContact O-N 3.31Å | ||
| 1172 | R | 70.1 | Confident | 64.3 | Low | 124 Ų | 124 | 83.1 Ų | 83.1 | 47% | 0.468 | 43% | 0.425 | S | S | . | . | trans | -103.4 | 126 | 167 | -61.3 | -161.7 | -162.3 | 175.2 | 5.6 | 110.2 | P1170 E1187 N1189 L1190 | P1170-R1172 PolarHBondContact O-N 3.07Å; R1172-E1187 VanDerWaalsContact CB-O 3.31Å; R1172-E1187 WeakPolarHBondContact CB-O 3.41Å; R1172-E1187 VanDerWaalsContact CD-O 3.23Å; R1172-E1187 WeakPolarHBondContact CD-O 3.34Å; R1172-E1187 WeakPolarHBondContact CG-O 3.48Å; R1172-E1187 IonicContact CZ-OE1 2.71Å; R1172-E1187 VanDerWaalsContact NH1-CB 3.33Å; R1172-E1187 IonicContact NH1-OE1 2.74Å; R1172-E1187 PolarHBondContact NH1-OE1 2.64Å; R1172-E1187 IonicContact NH1-OE2 2.81Å; R1172-E1187 PolarHBondContact NH1-OE2 3.27Å; R1172-N1189 PolarHBondContact O-N 3.46Å; R1172-L1190 PolarHBondContact O-N 3.16Å | ||
| 1173 | V | 77.1 | Confident | 63 | Low | 42 Ų | 42 | 80.5 Ų | 80.5 | 26% | 0.255 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 134.4 | -171.1 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | V1161 M1175 L1190 I1192 | V1161-V1173 HydrophobicContact CB-CG2 3.87Å; V1161-V1173 HydrophobicContact CG1-CG2 3.47Å; V1161-V1173 VanDerWaalsContact CG1-CG2 3.47Å; V1161-V1173 HydrophobicContact CG2-CG2 4.08Å; V1173-M1175 HydrophobicContact CG1-SD 3.76Å; V1173-L1190 CarbonylContact C-O 3.59Å; V1173-L1190 WeakPolarHBondContact CA-O 3.45Å; V1173-L1190 HydrophobicContact CG2-CD2 4.27Å; V1173-I1192 HydrophobicContact CG1-CD1 3.51Å; V1173-I1192 HydrophobicContact CG1-CG1 4.23Å |
| 1174 | S | 77.3 | Confident | 61.8 | Low | 18 Ų | 18 | 82.4 Ų | 82.4 | 13% | 0.126 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 133.8 | 170.6 | -170.9 | 0 | 0 | 0 | 0 | 110.8 | L1190 F1191 I1192 | S1174-L1190 PolarHBondContact N-O 3.02Å; S1174-F1191 WeakPolarHBondContact O-CA 3.28Å; S1174-I1192 PolarHBondContact O-N 3.28Å |
| 1175 | M | 72.4 | Confident | 60.7 | Low | 64 Ų | 64 | 84.2 Ų | 84.2 | 32% | 0.315 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 121.7 | -176.8 | -54.5 | -53.5 | -73.2 | 0 | 0 | 110.2 | V1154 V1173 I1192 | V1154-M1175 HydrophobicContact CB-CE 4.07Å; V1154-M1175 HydrophobicContact CG1-CE 3.05Å; V1154-M1175 WeakPolarHBondContact O-CE 3.38Å; V1173-M1175 HydrophobicContact CG1-SD 3.76Å; M1175-I1192 HydrophobicContact CE-CB 4.02Å; M1175-I1192 HydrophobicContact CE-CD1 4.29Å; M1175-I1192 HydrophobicContact CE-CG2 4.01Å; M1175-I1192 HydrophobicContact SD-CB 3.84Å; M1175-I1192 HydrophobicContact SD-CD1 3.76Å; M1175-I1192 HydrophobicContact SD-CG1 4.28Å; M1175-I1192 HydrophobicContact SD-CG2 4.46Å |
| 1176 | M | 68.5 | Low | 59.7 | Low | 28 Ų | 28 | 92.7 Ų | 92.7 | 14% | 0.138 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 89.2 | 176.4 | -69.8 | -178.8 | 159.9 | 0 | 0 | 110 | L1183 F1191 I1192 A1193 C1197 I1205 | M1176-L1183 HydrophobicContact CE-CD1 4.11Å; M1176-L1183 HydrophobicContact CE-CD2 3.71Å; M1176-L1183 HydrophobicContact CE-CG 3.78Å; M1176-F1191 HydrophobicContact CE-CD1 3.77Å; M1176-F1191 HydrophobicContact CE-CE1 4.21Å; M1176-F1191 HydrophobicContact SD-CD1 4.5Å; M1176-I1192 PolarHBondContact N-O 3.44Å; M1176-A1193 HydrophobicContact CB-CB 4.09Å; M1176-A1193 HydrophobicContact SD-CB 4.39Å; M1176-C1197 PolarHBondContact O-SG 3.19Å; M1176-I1205 HydrophobicContact SD-CD1 4.38Å |
| 1177 | D | 59.7 | Low | 59.8 | Low | 71 Ų | 71 | 91.3 Ų | 91.3 | 38% | 0.38 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -114.8 | -37.5 | -175.5 | -149.9 | 5.8 | 0 | 0 | 0 | 113.8 | ||
| 1178 | K | 54.4 | Low | 60.3 | Low | 168 Ų | 168 | 85.3 Ų | 85.3 | 73% | 0.73 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -147.9 | -39.3 | -175 | -71.5 | -170.7 | 178 | 178.3 | 0 | 116.8 | ||
| 1179 | D | 48.6 | Very low | 61.6 | Low | 146 Ų | 146 | 76.7 Ų | 76.7 | 78% | 0.781 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -115.3 | 139.1 | -171.3 | -60.3 | -49 | 0 | 0 | 0 | 110.4 | C1181 | D1179-C1181 PolarHBondContact O-N 3.43Š|
| 1180 | L | 44.9 | Very low | 62.8 | Low | 174 Ų | 174 | 74.7 Ų | 74.7 | 91% | 0.911 | 39% | 0.387 | S | S | * | . | trans | -57.2 | 76.8 | 172.5 | -77.8 | 128.1 | 0 | 0 | 0 | 110.1 | S1182 | L1180-S1182 VanDerWaalsContact C-N 3.28Å; L1180-S1182 PolarHBondContact O-N 3.47Å | ||
| 1181 | C | 44.6 | Very low | 63.8 | Low | 74 Ų | 74 | 73.5 Ų | 73.5 | 50% | 0.5 | 38% | 0.379 | S | S | . | . | trans | -70.2 | 100.1 | 159 | -148.1 | 0 | 0 | 0 | 0 | 104.1 | D1179 L1183 | D1179-C1181 PolarHBondContact O-N 3.43Å; C1181-L1183 PolarHBondContact O-N 3.21Å | ||
| 1182 | S | 51.7 | Low | 64.6 | Low | 69 Ų | 69 | 72.7 Ų | 72.7 | 48% | 0.483 | 37% | 0.374 | S | S | . | . | trans | -40.2 | 127.4 | 171.9 | 45.7 | 0 | 0 | 0 | 0 | 108.5 | L1180 D1184 | L1180-S1182 VanDerWaalsContact C-N 3.28Å; L1180-S1182 PolarHBondContact O-N 3.47Å; S1182-D1184 PolarHBondContact O-N 2.63Å | ||
| 1183 | L | 52 | Low | 65.4 | Low | 18 Ų | 18 | 66.8 Ų | 66.8 | 9% | 0.094 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -0.5 | 175.5 | -80.3 | 136.4 | 0 | 0 | 0 | 113.5 | K1144 M1176 C1181 S1185 F1191 S1204 W1210 | K1144-L1183 PolarHBondContact NZ-O 2.91Å; M1176-L1183 HydrophobicContact CE-CD1 4.11Å; M1176-L1183 HydrophobicContact CE-CD2 3.71Å; M1176-L1183 HydrophobicContact CE-CG 3.78Å; C1181-L1183 PolarHBondContact O-N 3.21Å; L1183-S1185 VanDerWaalsContact C-N 3.32Å; L1183-S1185 PolarHBondContact O-N 2.89Å; L1183-F1191 HydrophobicContact CD2-CD1 4.01Å; L1183-F1191 HydrophobicContact CD2-CE1 3.62Å; L1183-F1191 HydrophobicContact CD2-CE2 4.28Å; L1183-F1191 HydrophobicContact CD2-CG 4.49Å; L1183-F1191 HydrophobicContact CD2-CZ 3.76Å; L1183-F1191 HydrophobicContact CG-CE1 4.37Å; L1183-S1204 WeakPolarHBondContact CD1-OG 3.13Å; L1183-W1210 HydrophobicContact CD2-CH2 3.88Å; L1183-W1210 HydrophobicContact CD2-CZ2 4.41Å |
| 1184 | D | 51.7 | Low | 65.7 | Low | 132 Ų | 132 | 64.9 Ų | 64.9 | 71% | 0.706 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -4.3 | -179.2 | -64.9 | -30.5 | 0 | 0 | 0 | 115.6 | S1182 K1186 | S1182-D1184 PolarHBondContact O-N 2.63Å; D1184-K1186 VanDerWaalsContact C-N 3.26Å; D1184-K1186 PolarHBondContact O-N 2.89Å |
| 1185 | S | 53.4 | Low | 66 | Low | 54 Ų | 54 | 64.7 Ų | 64.7 | 38% | 0.378 | 34% | 0.338 | S | S | . | . | trans | -64.2 | 91.1 | 167.6 | -68.1 | 0 | 0 | 0 | 0 | 108.9 | L1183 E1187 C1188 | L1183-S1185 VanDerWaalsContact C-N 3.32Å; L1183-S1185 PolarHBondContact O-N 2.89Å; S1185-E1187 PolarHBondContact O-N 3.08Å; S1185-C1188 PolarHBondContact O-N 3.36Å | ||
| 1186 | K | 55.8 | Low | 66.3 | Low | 185 Ų | 185 | 66 Ų | 66 | 80% | 0.804 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -12.4 | -177.9 | -75.6 | -172.2 | 175.1 | -178.4 | 0 | 114.5 | D1184 | D1184-K1186 VanDerWaalsContact C-N 3.26Å; D1184-K1186 PolarHBondContact O-N 2.89Å |
| 1187 | E | 63.8 | Low | 66.7 | Low | 122 Ų | 122 | 65 Ų | 65 | 57% | 0.57 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -19.9 | -177.5 | -62.8 | -162.8 | 130.7 | 0 | 0 | 114.3 | R1172 S1185 | R1172-E1187 VanDerWaalsContact CB-O 3.31Å; R1172-E1187 WeakPolarHBondContact CB-O 3.41Å; R1172-E1187 VanDerWaalsContact CD-O 3.23Å; R1172-E1187 WeakPolarHBondContact CD-O 3.34Å; R1172-E1187 WeakPolarHBondContact CG-O 3.48Å; R1172-E1187 IonicContact CZ-OE1 2.71Å; R1172-E1187 VanDerWaalsContact NH1-CB 3.33Å; R1172-E1187 IonicContact NH1-OE1 2.74Å; R1172-E1187 PolarHBondContact NH1-OE1 2.64Å; R1172-E1187 IonicContact NH1-OE2 2.81Å; R1172-E1187 PolarHBondContact NH1-OE2 3.27Å; S1185-E1187 PolarHBondContact O-N 3.08Å |
| 1188 | C | 71.3 | Confident | 67.5 | Low | 21 Ų | 21 | 61.9 Ų | 61.9 | 14% | 0.142 | 32% | 0.322 | C | S | . | . | trans | -91.8 | 128.8 | -173.6 | -67.1 | 0 | 0 | 0 | 0 | 113.1 | S1185 F1191 | S1185-C1188 PolarHBondContact O-N 3.36Å; C1188-F1191 HydrophobicContact CB-CE2 4.41Å; C1188-F1191 HydrophobicContact CB-CZ 4.03Å | ||
| 1189 | N | 81.8 | Confident | 68.3 | Low | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.064 | 32% | 0.315 | C | S | . | . | trans | -115.8 | -19.4 | -175.4 | -62.9 | -13.1 | 0 | 0 | 0 | 113.2 | T1132 Y1143 K1144 S1145 P1170 R1172 | T1132-N1189 HydrophobicContact CG2-CB 4.22Å; Y1143-N1189 VanDerWaalsContact CD2-OD1 3.27Å; Y1143-N1189 WeakPolarHBondContact CD2-OD1 3.34Å; Y1143-N1189 WeakPolarHBondContact CE2-OD1 3.32Å; K1144-N1189 CarbonylContact C-O 3.59Å; K1144-N1189 WeakPolarHBondContact CA-O 3.3Å; S1145-N1189 PolarHBondContact N-O 2.88Å; P1170-N1189 PolarHBondContact O-ND2 3.06Å; R1172-N1189 PolarHBondContact O-N 3.46Å | ||
| 1190 | L | 86 | Confident | 69.2 | Low | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 118.4 | -179.8 | -176.3 | 59.8 | 0 | 0 | 0 | 110.6 | L1125 I1128 I1147 V1161 R1172 V1173 S1174 | L1125-L1190 HydrophobicContact CD2-CD2 4.16Å; I1128-L1190 HydrophobicContact CD1-CD1 4.38Å; I1128-L1190 HydrophobicContact CG2-CD1 4.26Å; I1147-L1190 HydrophobicContact CD1-CD1 3.79Å; I1147-L1190 HydrophobicContact CD1-CD2 4.27Å; I1147-L1190 HydrophobicContact CD1-CG 4.4Å; I1147-L1190 HydrophobicContact CG1-CD1 3.91Å; V1161-L1190 HydrophobicContact CG2-CD2 4.02Å; R1172-L1190 PolarHBondContact O-N 3.16Å; V1173-L1190 CarbonylContact C-O 3.59Å; V1173-L1190 WeakPolarHBondContact CA-O 3.45Å; V1173-L1190 HydrophobicContact CG2-CD2 4.27Å; S1174-L1190 PolarHBondContact N-O 3.02Å |
| 1191 | F | 86 | Confident | 69.9 | Low | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.5 | 179.3 | -67.9 | -96 | 0 | 0 | 0 | 109.8 | K1144 S1145 L1146 I1147 S1174 M1176 L1183 C1188 W1210 | K1144-F1191 HydrophobicContact CB-CE2 4.37Å; K1144-F1191 HydrophobicContact CD-CE2 3.94Å; K1144-F1191 HydrophobicContact CG-CE2 4.23Å; S1145-F1191 PolarHBondContact O-N 3.38Å; L1146-F1191 CarbonylContact C-O 3.58Å; L1146-F1191 WeakPolarHBondContact CA-O 3.27Å; L1146-F1191 HydrophobicContact CD1-CB 4.15Å; I1147-F1191 PolarHBondContact N-O 3.26Å; S1174-F1191 WeakPolarHBondContact O-CA 3.28Å; M1176-F1191 HydrophobicContact CE-CD1 3.77Å; M1176-F1191 HydrophobicContact CE-CE1 4.21Å; M1176-F1191 HydrophobicContact SD-CD1 4.5Å; L1183-F1191 HydrophobicContact CD2-CD1 4.01Å; L1183-F1191 HydrophobicContact CD2-CE1 3.62Å; L1183-F1191 HydrophobicContact CD2-CE2 4.28Å; L1183-F1191 HydrophobicContact CD2-CG 4.49Å; L1183-F1191 HydrophobicContact CD2-CZ 3.76Å; L1183-F1191 HydrophobicContact CG-CE1 4.37Å; C1188-F1191 HydrophobicContact CB-CE2 4.41Å; C1188-F1191 HydrophobicContact CB-CZ 4.03Å; F1191-W1210 HydrophobicContact CB-CH2 4.01Å; F1191-W1210 HydrophobicContact CB-CZ3 4.01Å; F1191-W1210 AromaticContact CD2-CH2 3.87Å; F1191-W1210 HydrophobicContact CD2-CH2 3.87Å; F1191-W1210 AromaticContact CD2-CZ3 3.52Å; F1191-W1210 HydrophobicContact CD2-CZ3 3.52Å; F1191-W1210 HydrophobicContact CE2-CZ3 4.25Å; F1191-W1210 AromaticContact CG-CH2 3.91Å; F1191-W1210 HydrophobicContact CG-CH2 3.91Å; F1191-W1210 AromaticContact CG-CZ3 3.95Å; F1191-W1210 HydrophobicContact CG-CZ3 3.95Å |
| 1192 | I | 86.4 | Confident | 70.6 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 118.4 | 176.6 | -56.8 | 165.9 | 0 | 0 | 0 | 107.6 | I1147 V1154 W1157 V1173 S1174 M1175 M1176 | I1147-I1192 HydrophobicContact CB-CG1 4.34Å; I1147-I1192 WeakPolarHBondContact O-CA 3.46Å; V1154-I1192 HydrophobicContact CG1-CG2 4.35Å; V1154-I1192 HydrophobicContact CG2-CG2 4.48Å; W1157-I1192 HydrophobicContact CB-CD1 3.64Å; W1157-I1192 HydrophobicContact CB-CG1 4.44Å; W1157-I1192 HydrophobicContact CB-CG2 4.3Å; V1173-I1192 HydrophobicContact CG1-CD1 3.51Å; V1173-I1192 HydrophobicContact CG1-CG1 4.23Å; S1174-I1192 PolarHBondContact O-N 3.28Å; M1175-I1192 HydrophobicContact CE-CB 4.02Å; M1175-I1192 HydrophobicContact CE-CD1 4.29Å; M1175-I1192 HydrophobicContact CE-CG2 4.01Å; M1175-I1192 HydrophobicContact SD-CB 3.84Å; M1175-I1192 HydrophobicContact SD-CD1 3.76Å; M1175-I1192 HydrophobicContact SD-CG1 4.28Å; M1175-I1192 HydrophobicContact SD-CG2 4.46Å; M1176-I1192 PolarHBondContact N-O 3.44Å |
| 1193 | A | 85.5 | Confident | 71.1 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 151.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1146 I1147 L1148 C1149 M1176 C1197 | L1146-A1193 HydrophobicContact CD1-CB 4.2Å; I1147-A1193 PolarHBondContact O-N 3.45Å; L1148-A1193 WeakPolarHBondContact CA-O 3.39Å; L1148-A1193 HydrophobicContact CD2-CB 4.01Å; C1149-A1193 PolarHBondContact N-O 3.26Å; C1149-A1193 VanDerWaalsContact N-O 3.09Å; M1176-A1193 HydrophobicContact CB-CB 4.09Å; M1176-A1193 HydrophobicContact SD-CB 4.39Å; A1193-C1197 HydrophobicContact CB-CB 4.49Å |
| 1194 | S | 84.6 | Confident | 71.8 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 151.3 | 171.7 | 65.5 | 0 | 0 | 0 | 0 | 111.3 | C1149 E1196 C1197 | C1149-S1194 VanDerWaalsContact O-CA 3.3Å; C1149-S1194 WeakPolarHBondContact O-CA 3.35Å; S1194-E1196 PolarHBondContact O-N 2.83Å; S1194-E1196 VanDerWaalsContact O-N 3.12Å; S1194-C1197 VanDerWaalsContact O-CB 3.24Å; S1194-C1197 WeakPolarHBondContact O-CB 3.39Å; S1194-C1197 PolarHBondContact O-N 2.92Å; S1194-C1197 PolarHBondContact OG-SG 2.72Å |
| 1195 | Y | 83.2 | Confident | 72.8 | Confident | 14 Ų | 14 | 55 Ų | 55 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56 | -27.1 | 172.2 | -75.6 | -74.9 | 0 | 0 | 0 | 113.5 | L1148 C1149 C1197 L1198 L1215 D1216 L1220 L1228 | L1148-Y1195 HydrophobicContact CB-CD1 4.37Å; L1148-Y1195 HydrophobicContact CB-CE1 4.06Å; C1149-Y1195 VanDerWaalsContact C-CD2 3.49Å; C1149-Y1195 WeakPolarHBondContact O-CD2 3.14Å; C1149-Y1195 PolarHBondContact O-N 2.86Å; Y1195-C1197 PolarHBondContact O-N 3.23Å; Y1195-L1198 HydrophobicContact CD1-CD1 4.42Å; Y1195-L1198 PolarHBondContact O-N 3.09Å; Y1195-L1215 HydrophobicContact CE1-CD2 4.07Å; Y1195-L1215 WeakPolarHBondContact OH-CB 3.24Å; Y1195-D1216 VanDerWaalsContact CE2-O 3.24Å; Y1195-D1216 WeakPolarHBondContact CE2-O 3.32Å; Y1195-D1216 PolarHBondContact OH-O 2.89Å; Y1195-L1220 HydrophobicContact CD2-CD1 3.66Å; Y1195-L1220 HydrophobicContact CE2-CD1 3.57Å; Y1195-L1220 HydrophobicContact CG-CD1 4.48Å; Y1195-L1228 HydrophobicContact CD1-CD1 4Å; Y1195-L1228 HydrophobicContact CD1-CD2 4.07Å; Y1195-L1228 HydrophobicContact CD1-CG 4.36Å; Y1195-L1228 HydrophobicContact CG-CD1 4.48Å; Y1195-L1228 HydrophobicContact CG-CD2 4.41Å |
| 1196 | E | 78 | Confident | 73.7 | Confident | 92 Ų | 92 | 54.6 Ų | 54.6 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62 | -28.6 | 174.8 | -67.3 | 177.5 | -177 | 0 | 0 | 112.3 | K1151 S1194 L1198 R1199 | K1151-E1196 IonicContact NZ-OE2 2.82Å; K1151-E1196 PolarHBondContact NZ-OE2 2.75Å; S1194-E1196 PolarHBondContact O-N 2.83Å; S1194-E1196 VanDerWaalsContact O-N 3.12Å; E1196-L1198 VanDerWaalsContact C-N 3.28Å; E1196-L1198 PolarHBondContact O-N 2.73Å; E1196-R1199 PolarHBondContact O-N 3.13Å |
| 1197 | C | 77.4 | Confident | 74.4 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.6 | -30.1 | 178.7 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | M1176 A1193 S1194 Y1195 R1199 R1200 N1202 | M1176-C1197 PolarHBondContact O-SG 3.19Å; A1193-C1197 HydrophobicContact CB-CB 4.49Å; S1194-C1197 VanDerWaalsContact O-CB 3.24Å; S1194-C1197 WeakPolarHBondContact O-CB 3.39Å; S1194-C1197 PolarHBondContact O-N 2.92Å; S1194-C1197 PolarHBondContact OG-SG 2.72Å; Y1195-C1197 PolarHBondContact O-N 3.23Å; C1197-R1199 VanDerWaalsContact C-N 3.3Å; C1197-R1199 PolarHBondContact O-N 3.19Å; C1197-R1200 PolarHBondContact O-N 3.41Å; C1197-N1202 PolarHBondContact O-ND2 2.87Å |
| 1198 | L | 75.7 | Confident | 74.8 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.4 | -28 | 177.2 | -65 | -179.2 | 0 | 0 | 0 | 112.8 | L1148 Y1195 E1196 R1200 I1205 F1206 L1228 A1231 I1235 | L1148-L1198 HydrophobicContact CD1-CD1 3.75Å; L1148-L1198 HydrophobicContact CD1-CD2 4.43Å; L1148-L1198 HydrophobicContact CD1-CG 4.43Å; L1148-L1198 HydrophobicContact CD2-CD1 4.1Å; L1148-L1198 HydrophobicContact CD2-CD2 4.18Å; L1148-L1198 HydrophobicContact CD2-CG 4.01Å; Y1195-L1198 HydrophobicContact CD1-CD1 4.42Å; Y1195-L1198 PolarHBondContact O-N 3.09Å; E1196-L1198 VanDerWaalsContact C-N 3.28Å; E1196-L1198 PolarHBondContact O-N 2.73Å; L1198-R1200 VanDerWaalsContact C-N 3.3Å; L1198-R1200 PolarHBondContact O-N 2.89Å; L1198-I1205 HydrophobicContact CD2-CG2 4.34Å; L1198-F1206 HydrophobicContact CD2-CE1 4.44Å; L1198-F1206 HydrophobicContact CD2-CZ 4.38Å; L1198-L1228 HydrophobicContact CB-CD1 4.2Å; L1198-L1228 HydrophobicContact CD1-CD1 4.1Å; L1198-A1231 HydrophobicContact CB-CB 4.06Å; L1198-I1235 HydrophobicContact CD1-CD1 4.2Å; L1198-I1235 HydrophobicContact CD2-CD1 3.85Å |
| 1199 | R | 72.5 | Confident | 75.3 | Confident | 156 Ų | 156 | 51.5 Ų | 51.5 | 59% | 0.589 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -73.4 | -21.7 | 179.5 | -65.6 | -172 | -176.2 | -163.5 | 0.4 | 112.9 | E1196 C1197 E1201 | E1196-R1199 PolarHBondContact O-N 3.13Å; C1197-R1199 VanDerWaalsContact C-N 3.3Å; C1197-R1199 PolarHBondContact O-N 3.19Å; R1199-E1201 PolarHBondContact O-N 3.39Å |
| 1200 | R | 66.8 | Low | 75.5 | Confident | 156 Ų | 156 | 50.9 Ų | 50.9 | 59% | 0.589 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 10.1 | -176 | -66.2 | -173.7 | -176.1 | 159.7 | 4 | 114 | C1197 L1198 N1202 | C1197-R1200 PolarHBondContact O-N 3.41Å; L1198-R1200 VanDerWaalsContact C-N 3.3Å; L1198-R1200 PolarHBondContact O-N 2.89Å; R1200-N1202 VanDerWaalsContact C-N 3.34Å; R1200-N1202 PolarHBondContact O-N 2.85Å |
| 1201 | E | 60 | Low | 75.5 | Confident | 169 Ų | 169 | 51.4 Ų | 51.4 | 79% | 0.79 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 51.8 | -175.4 | -64.7 | -176.4 | 168.4 | 0 | 0 | 112.1 | R1199 A1203 | R1199-E1201 PolarHBondContact O-N 3.39Å; E1201-A1203 VanDerWaalsContact C-N 3.28Å; E1201-A1203 PolarHBondContact O-N 3.42Å |
| 1202 | N | 59.4 | Low | 75.6 | Confident | 52 Ų | 52 | 51.6 Ų | 51.6 | 28% | 0.278 | 25% | 0.251 | S | S | . | . | trans | -65.5 | 87.5 | 172.6 | -76.7 | -7.8 | 0 | 0 | 0 | 109.7 | C1197 R1200 S1204 I1205 F1206 | C1197-N1202 PolarHBondContact O-ND2 2.87Å; R1200-N1202 VanDerWaalsContact C-N 3.34Å; R1200-N1202 PolarHBondContact O-N 2.85Å; N1202-S1204 PolarHBondContact O-N 2.76Å; N1202-I1205 HydrophobicContact CB-CD1 3.82Å; N1202-I1205 HydrophobicContact CB-CG1 4.03Å; N1202-I1205 PolarHBondContact O-N 3Å; N1202-F1206 VanDerWaalsContact O-CD2 3.28Å; N1202-F1206 WeakPolarHBondContact O-CD2 3.31Å | ||
| 1203 | A | 61.7 | Low | 75.8 | Confident | 60 Ų | 60 | 51.6 Ų | 51.6 | 50% | 0.496 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -48.4 | -37.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1201 I1205 F1206 E1207 | E1201-A1203 VanDerWaalsContact C-N 3.28Å; E1201-A1203 PolarHBondContact O-N 3.42Å; A1203-I1205 VanDerWaalsContact C-N 3.34Å; A1203-I1205 PolarHBondContact O-N 3.32Å; A1203-F1206 PolarHBondContact O-N 3.3Å; A1203-E1207 PolarHBondContact O-N 3.41Å |
| 1204 | S | 66.5 | Low | 76.1 | Confident | 44 Ų | 44 | 51.6 Ų | 51.6 | 31% | 0.308 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.9 | -29.5 | -178.3 | 62.5 | 0 | 0 | 0 | 0 | 114.9 | L1183 N1202 F1206 | L1183-S1204 WeakPolarHBondContact CD1-OG 3.13Å; N1202-S1204 PolarHBondContact O-N 2.76Å; S1204-F1206 VanDerWaalsContact C-N 3.3Å; S1204-F1206 PolarHBondContact O-N 3.24Å |
| 1205 | I | 72.7 | Confident | 76.5 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.6 | -31.9 | 177.6 | -64.2 | 177.5 | 0 | 0 | 0 | 111.1 | L1146 M1176 L1198 N1202 A1203 W1210 | L1146-I1205 HydrophobicContact CD2-CG2 3.93Å; M1176-I1205 HydrophobicContact SD-CD1 4.38Å; L1198-I1205 HydrophobicContact CD2-CG2 4.34Å; N1202-I1205 HydrophobicContact CB-CD1 3.82Å; N1202-I1205 HydrophobicContact CB-CG1 4.03Å; N1202-I1205 PolarHBondContact O-N 3Å; A1203-I1205 VanDerWaalsContact C-N 3.34Å; A1203-I1205 PolarHBondContact O-N 3.32Å; I1205-W1210 HydrophobicContact CG2-CZ2 4.5Å; I1205-W1210 PolarHBondContact O-NE1 3.19Å |
| 1206 | F | 72.5 | Confident | 76.8 | Confident | 45 Ų | 45 | 51.1 Ų | 51.1 | 20% | 0.197 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -86.5 | -21.9 | -175.6 | -55.5 | -64.8 | 0 | 0 | 0 | 113.1 | L1198 N1202 A1203 S1204 A1231 S1234 I1235 | L1198-F1206 HydrophobicContact CD2-CE1 4.44Å; L1198-F1206 HydrophobicContact CD2-CZ 4.38Å; N1202-F1206 VanDerWaalsContact O-CD2 3.28Å; N1202-F1206 WeakPolarHBondContact O-CD2 3.31Å; A1203-F1206 PolarHBondContact O-N 3.3Å; S1204-F1206 VanDerWaalsContact C-N 3.3Å; S1204-F1206 PolarHBondContact O-N 3.24Å; F1206-A1231 WeakPolarHBondContact CE1-O 3.31Å; F1206-A1231 HydrophobicContact CZ-CB 4.37Å; F1206-S1234 WeakPolarHBondContact CD1-OG 3.5Å; F1206-S1234 WeakPolarHBondContact CE1-OG 3.34Å; F1206-I1235 HydrophobicContact CD1-CG1 4.29Å; F1206-I1235 HydrophobicContact CE1-CG1 4.1Å |
| 1207 | E | 71.5 | Confident | 77.1 | Confident | 142 Ų | 142 | 47.9 Ų | 47.9 | 66% | 0.664 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -75.9 | -39.8 | 176.2 | -73.2 | 177.2 | -178.8 | 0 | 0 | 112.2 | A1203 | A1203-E1207 PolarHBondContact O-N 3.41Å |
| 1208 | D | 71.3 | Confident | 77.3 | Confident | 54 Ų | 54 | 47.5 Ų | 47.5 | 29% | 0.289 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -73.8 | 139.5 | -178.5 | -80.2 | -22 | 0 | 0 | 0 | 112.6 | W1210 | D1208-W1210 HydrophobicContact CB-CZ2 4.29Š|
| 1209 | T | 81.3 | Confident | 77.5 | Confident | 67 Ų | 67 | 48.5 Ų | 48.5 | 41% | 0.411 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -92.9 | 116.8 | 169.5 | -59.1 | 0 | 0 | 0 | 0 | 109.5 | V1142 | V1142-T1209 HydrophobicContact CG1-CG2 4.47Å; V1142-T1209 WeakPolarHBondContact CG1-O 2.9Å; V1142-T1209 HydrophobicContact CG2-CG2 4.3Å |
| 1210 | W | 86.3 | Confident | 77.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 143.8 | -176.6 | -58.7 | 93.2 | 0 | 0 | 0 | 111.8 | K1144 L1146 L1183 F1191 I1205 D1208 R1236 A1237 K1238 | K1144-W1210 HydrophobicContact CB-CE3 4.12Å; K1144-W1210 HydrophobicContact CB-CZ3 4.07Å; L1146-W1210 HydrophobicContact CB-CD2 3.56Å; L1146-W1210 HydrophobicContact CB-CE3 3.56Å; L1146-W1210 HydrophobicContact CB-CG 4.03Å; L1146-W1210 HydrophobicContact CB-CH2 4.26Å; L1146-W1210 HydrophobicContact CB-CZ2 4.3Å; L1146-W1210 HydrophobicContact CB-CZ3 3.91Å; L1146-W1210 HydrophobicContact CD1-CH2 4.33Å; L1146-W1210 HydrophobicContact CD1-CZ2 4.39Å; L1146-W1210 HydrophobicContact CD2-CD2 4.35Å; L1146-W1210 HydrophobicContact CD2-CZ2 4.28Å; L1183-W1210 HydrophobicContact CD2-CH2 3.88Å; L1183-W1210 HydrophobicContact CD2-CZ2 4.41Å; F1191-W1210 HydrophobicContact CB-CH2 4.01Å; F1191-W1210 HydrophobicContact CB-CZ3 4.01Å; F1191-W1210 AromaticContact CD2-CH2 3.87Å; F1191-W1210 HydrophobicContact CD2-CH2 3.87Å; F1191-W1210 AromaticContact CD2-CZ3 3.52Å; F1191-W1210 HydrophobicContact CD2-CZ3 3.52Å; F1191-W1210 HydrophobicContact CE2-CZ3 4.25Å; F1191-W1210 AromaticContact CG-CH2 3.91Å; F1191-W1210 HydrophobicContact CG-CH2 3.91Å; F1191-W1210 AromaticContact CG-CZ3 3.95Å; F1191-W1210 HydrophobicContact CG-CZ3 3.95Å; I1205-W1210 HydrophobicContact CG2-CZ2 4.5Å; I1205-W1210 PolarHBondContact O-NE1 3.19Å; D1208-W1210 HydrophobicContact CB-CZ2 4.29Å; W1210-R1236 PolarHBondContact N-O 3.11Å; W1210-A1237 HydrophobicContact CB-CB 4.19Å; W1210-A1237 CarbonylContact O-C 3.58Å; W1210-A1237 VanDerWaalsContact O-CA 3.25Å; W1210-A1237 WeakPolarHBondContact O-CA 3.33Å; W1210-K1238 PolarHBondContact O-N 3.24Å |
| 1211 | L | 85.3 | Confident | 78.6 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | -54.1 | 172.1 | 179.1 | 63.4 | 0 | 0 | 0 | 110.3 | A1131 A1135 V1142 K1144 K1238 H1239 | A1131-L1211 HydrophobicContact CB-CD2 3.89Å; A1131-L1211 HydrophobicContact CB-CG 4.43Å; A1135-L1211 HydrophobicContact CB-CD2 4.12Å; V1142-L1211 HydrophobicContact CG1-CB 4.05Å; K1144-L1211 WeakPolarHBondContact O-CB 3.38Å; K1144-L1211 PolarHBondContact O-N 2.87Å; L1211-K1238 HydrophobicContact CD1-CD 4.34Å; L1211-H1239 PolarHBondContact O-N 3.03Å |
| 1212 | Y | 88.7 | Confident | 79.5 | Confident | 8 Ų | 8 | 31.8 Ų | 31.8 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.6 | 171.7 | -99.2 | -84.1 | 0 | 0 | 0 | 110.2 | K1104 I1127 I1128 A1131 S1145 L1146 H1239 L1241 | K1104-Y1212 WeakPolarHBondContact CB-OH 3.43Å; K1104-Y1212 HydrophobicContact CD-CE2 4.29Å; I1127-Y1212 HydrophobicContact CG1-CE2 4.35Å; I1127-Y1212 WeakPolarHBondContact CG1-OH 3.34Å; I1128-Y1212 HydrophobicContact CG1-CG 4.35Å; A1131-Y1212 HydrophobicContact CB-CD2 3.94Å; A1131-Y1212 HydrophobicContact CB-CE2 3.7Å; S1145-Y1212 WeakPolarHBondContact CA-O 3.38Å; L1146-Y1212 PolarHBondContact N-O 2.97Å; Y1212-H1239 CarbonylContact C-O 3.6Å; Y1212-H1239 WeakPolarHBondContact CA-O 3.39Å; Y1212-H1239 HydrophobicContact CD1-CB 3.69Å; Y1212-H1239 HydrophobicContact CD2-CB 4.12Å; Y1212-H1239 HydrophobicContact CE1-CB 3.46Å; Y1212-H1239 VanDerWaalsContact CE1-CB 3.46Å; Y1212-H1239 HydrophobicContact CE2-CB 3.9Å; Y1212-H1239 AromaticContact CE2-CD2 3.87Å; Y1212-H1239 HydrophobicContact CG-CB 4.01Å; Y1212-H1239 AromaticContact CZ-CG 3.95Å; Y1212-L1241 HydrophobicContact CD1-CB 4.5Å; Y1212-L1241 HydrophobicContact CE1-CB 4.48Å |
| 1213 | C | 91 | Very high | 80.5 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 114.2 | 164.5 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | L1146 I1235 A1237 H1239 L1241 | L1146-C1213 WeakPolarHBondContact O-CA 3.41Å; C1213-I1235 HydrophobicContact CB-CG2 4.49Å; C1213-A1237 HydrophobicContact CB-CB 3.46Å; C1213-A1237 VanDerWaalsContact CB-CB 3.46Å; C1213-H1239 PolarHBondContact N-O 3.43Å; C1213-L1241 PolarHBondContact O-N 3.29Å |
| 1214 | V | 92.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.7 | -179.6 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | T1124 I1128 L1146 I1147 L1148 L1241 L1243 | T1124-V1214 HydrophobicContact CG2-CG1 4.02Å; T1124-V1214 HydrophobicContact CG2-CG2 3.82Å; I1128-V1214 HydrophobicContact CD1-CG2 4.03Å; L1146-V1214 PolarHBondContact O-N 3.29Å; I1147-V1214 HydrophobicContact CG1-CB 4.18Å; I1147-V1214 HydrophobicContact CG1-CG2 4.36Å; I1147-V1214 HydrophobicContact CG2-CB 4.43Å; L1148-V1214 PolarHBondContact N-O 3.42Å; V1214-L1241 CarbonylContact C-O 3.16Å; V1214-L1241 VanDerWaalsContact CA-O 3.3Å; V1214-L1241 WeakPolarHBondContact CA-O 3.35Å; V1214-L1241 HydrophobicContact CG2-CB 4.32Å; V1214-L1241 HydrophobicContact CG2-CD2 4.38Å; V1214-L1243 HydrophobicContact CG1-CD1 3.64Å; V1214-L1243 HydrophobicContact CG1-CG 3.77Å |
| 1215 | L | 91.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 103 | 169.2 | -61.7 | -167.7 | 0 | 0 | 0 | 109.5 | L1148 Y1195 I1221 L1241 I1242 L1243 F1261 | L1148-L1215 HydrophobicContact CB-CD2 3.7Å; L1148-L1215 HydrophobicContact CD1-CD2 3.38Å; L1148-L1215 HydrophobicContact CG-CD2 4.14Å; Y1195-L1215 HydrophobicContact CE1-CD2 4.07Å; Y1195-L1215 WeakPolarHBondContact OH-CB 3.24Å; L1215-I1221 HydrophobicContact CD1-CD1 3.54Å; L1215-I1221 HydrophobicContact CD1-CG1 4.17Å; L1215-I1221 HydrophobicContact CD1-CG2 4.46Å; L1215-L1241 PolarHBondContact N-O 3.32Å; L1215-I1242 HydrophobicContact CB-CG1 4.36Å; L1215-L1243 PolarHBondContact O-N 3.28Å; L1215-F1261 HydrophobicContact CD1-CD1 3.7Å; L1215-F1261 HydrophobicContact CD1-CD2 3.93Å; L1215-F1261 HydrophobicContact CD1-CE1 3.46Å; L1215-F1261 VanDerWaalsContact CD1-CE1 3.46Å; L1215-F1261 HydrophobicContact CD1-CE2 3.73Å; L1215-F1261 HydrophobicContact CD1-CG 3.92Å; L1215-F1261 HydrophobicContact CD1-CZ 3.48Å; L1215-F1261 VanDerWaalsContact CD1-CZ 3.48Å; L1215-F1261 HydrophobicContact CD2-CE2 4.44Å; L1215-F1261 HydrophobicContact CD2-CZ 4.04Å; L1215-F1261 HydrophobicContact CG-CD1 4.35Å; L1215-F1261 HydrophobicContact CG-CE1 3.62Å; L1215-F1261 HydrophobicContact CG-CE2 4.16Å; L1215-F1261 HydrophobicContact CG-CZ 3.51Å |
| 1216 | D | 89.4 | Confident | 82.3 | Confident | 8 Ų | 8 | 35.3 Ų | 35.3 | 4% | 0.043 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 139.6 | 171 | -164.2 | 21.9 | 0 | 0 | 0 | 110.2 | L1148 C1149 L1153 W1157 Y1195 G1218 | L1148-D1216 PolarHBondContact O-N 3.39Å; C1149-D1216 HydrophobicContact CB-CB 3.76Å; L1153-D1216 WeakPolarHBondContact CD1-OD2 3.4Å; W1157-D1216 HydrophobicContact CZ2-CB 4.23Å; W1157-D1216 PolarHBondContact NE1-OD2 3.48Å; Y1195-D1216 VanDerWaalsContact CE2-O 3.24Å; Y1195-D1216 WeakPolarHBondContact CE2-O 3.32Å; Y1195-D1216 PolarHBondContact OH-O 2.89Å; D1216-G1218 VanDerWaalsContact C-N 3.31Å; D1216-G1218 PolarHBondContact O-N 3.4Å |
| 1217 | E | 84.6 | Confident | 82.7 | Confident | 23 Ų | 23 | 40.2 Ų | 40.2 | 11% | 0.107 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 48.7 | -168.9 | -59.9 | -62.5 | 171.3 | 0 | 0 | 112.7 | P1150 L1153 H1219 L1220 L1243 | P1150-E1217 HydrophobicContact CG-CB 4.03Å; P1150-E1217 HydrophobicContact CG-CG 4.06Å; L1153-E1217 HydrophobicContact CD1-CG 4.35Å; E1217-H1219 PolarHBondContact O-N 3.33Å; E1217-H1219 IonicContact OE2-CE1 3.73Å; E1217-H1219 PolarHBondContact OE2-CE1 2.92Å; E1217-H1219 IonicContact OE2-ND1 3.78Å; E1217-H1219 PolarHBondContact OE2-ND1 2.97Å; E1217-L1220 HydrophobicContact CB-CD1 4.44Å; E1217-L1220 WeakPolarHBondContact O-CG 3.25Å; E1217-L1220 PolarHBondContact O-N 3.38Å; E1217-L1220 VanDerWaalsContact O-N 3.08Å; E1217-L1243 WeakPolarHBondContact CA-O 3.34Å; E1217-L1243 PolarHBondContact N-O 3.44Å |
| 1218 | G | 81.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -60.7 | -8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116 | D1216 L1220 I1221 L1243 L1258 | D1216-G1218 VanDerWaalsContact C-N 3.31Å; D1216-G1218 PolarHBondContact O-N 3.4Å; G1218-L1220 PolarHBondContact O-N 3.39Å; G1218-L1220 VanDerWaalsContact O-N 3.08Å; G1218-I1221 WeakPolarHBondContact O-CG1 3.39Å; G1218-I1221 PolarHBondContact O-N 3.44Å; G1218-I1221 VanDerWaalsContact O-N 3.13Å; G1218-L1243 PolarHBondContact N-O 3.23Å; G1218-L1258 WeakPolarHBondContact O-CD2 3.5Å |
| 1219 | H | 80.3 | Confident | 83.9 | Confident | 25 Ų | 25 | 31.9 Ų | 31.9 | 12% | 0.116 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -60.2 | -15.6 | 169.1 | 66.7 | -97.6 | 0 | 0 | 0 | 113 | E1217 I1221 R1222 Q1249 | E1217-H1219 PolarHBondContact O-N 3.33Å; E1217-H1219 IonicContact OE2-CE1 3.73Å; E1217-H1219 PolarHBondContact OE2-CE1 2.92Å; E1217-H1219 IonicContact OE2-ND1 3.78Å; E1217-H1219 PolarHBondContact OE2-ND1 2.97Å; H1219-I1221 PolarHBondContact O-N 2.96Å; H1219-R1222 VanDerWaalsContact O-CB 3.26Å; H1219-R1222 WeakPolarHBondContact O-CB 3.41Å; H1219-R1222 WeakPolarHBondContact O-CD 3.44Å; H1219-R1222 VanDerWaalsContact O-CG 3.23Å; H1219-R1222 WeakPolarHBondContact O-CG 3.42Å; H1219-R1222 PolarHBondContact O-N 3.03Å; H1219-Q1249 PolarHBondContact CD2-NE2 3.05Å; H1219-Q1249 VanDerWaalsContact CD2-NE2 3.26Å |
| 1220 | L | 79.9 | Confident | 83.9 | Confident | 78 Ų | 78 | 35 Ų | 35 | 41% | 0.408 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -63.9 | -22.4 | 173.2 | -68.5 | 172.8 | 0 | 0 | 0 | 113.9 | P1150 Y1195 E1217 G1218 | P1150-L1220 HydrophobicContact CG-CD1 4.12Å; Y1195-L1220 HydrophobicContact CD2-CD1 3.66Å; Y1195-L1220 HydrophobicContact CE2-CD1 3.57Å; Y1195-L1220 HydrophobicContact CG-CD1 4.48Å; E1217-L1220 HydrophobicContact CB-CD1 4.44Å; E1217-L1220 WeakPolarHBondContact O-CG 3.25Å; E1217-L1220 PolarHBondContact O-N 3.38Å; E1217-L1220 VanDerWaalsContact O-N 3.08Å; G1218-L1220 PolarHBondContact O-N 3.39Å; G1218-L1220 VanDerWaalsContact O-N 3.08Å |
| 1221 | I | 81.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -98.1 | 19 | 178.5 | 61.2 | 152 | 0 | 0 | 0 | 113.3 | L1215 G1218 H1219 N1223 L1228 F1229 A1232 S1257 L1258 F1261 | L1215-I1221 HydrophobicContact CD1-CD1 3.54Å; L1215-I1221 HydrophobicContact CD1-CG1 4.17Å; L1215-I1221 HydrophobicContact CD1-CG2 4.46Å; G1218-I1221 WeakPolarHBondContact O-CG1 3.39Å; G1218-I1221 PolarHBondContact O-N 3.44Å; G1218-I1221 VanDerWaalsContact O-N 3.13Å; H1219-I1221 PolarHBondContact O-N 2.96Å; I1221-N1223 VanDerWaalsContact C-N 3.34Å; I1221-N1223 PolarHBondContact O-N 3.47Å; I1221-L1228 HydrophobicContact CG2-CD2 4.31Å; I1221-L1228 HydrophobicContact CG2-CG 4.32Å; I1221-F1229 HydrophobicContact CB-CD2 4.26Å; I1221-F1229 WeakPolarHBondContact O-CD2 3.23Å; I1221-A1232 HydrophobicContact CG2-CB 4.34Å; I1221-S1257 WeakPolarHBondContact O-CB 3.39Å; I1221-L1258 HydrophobicContact CD1-CD2 4.19Å; I1221-L1258 HydrophobicContact CG1-CD2 3.99Å; I1221-F1261 HydrophobicContact CD1-CB 3.7Å; I1221-F1261 HydrophobicContact CD1-CD1 4.43Å; I1221-F1261 HydrophobicContact CD1-CD2 4.47Å; I1221-F1261 HydrophobicContact CD1-CG 3.94Å |
| 1222 | R | 80.4 | Confident | 83.7 | Confident | 52 Ų | 52 | 35.3 Ų | 35.3 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | trans | -64.9 | -29.4 | -174.6 | 67.6 | -173.2 | 178.2 | 163 | 11.4 | 115.1 | H1219 N1250 E1254 S1257 E1652 | H1219-R1222 VanDerWaalsContact O-CB 3.26Å; H1219-R1222 WeakPolarHBondContact O-CB 3.41Å; H1219-R1222 WeakPolarHBondContact O-CD 3.44Å; H1219-R1222 VanDerWaalsContact O-CG 3.23Å; H1219-R1222 WeakPolarHBondContact O-CG 3.42Å; H1219-R1222 PolarHBondContact O-N 3.03Å; R1222-N1250 PolarHBondContact NH1-ND2 3.04Å; R1222-E1254 HydrophobicContact CB-CB 4Å; R1222-E1254 HydrophobicContact CB-CG 3.87Å; R1222-S1257 WeakPolarHBondContact O-CB 3.47Å; R1222-S1257 PolarHBondContact O-OG 2.95Å; R1222-E1652 IonicContact CZ-OE1 3.88Å; R1222-E1652 IonicContact CZ-OE2 2.67Å; R1222-E1652 IonicContact NE-OE2 3.86Å; R1222-E1652 IonicContact NH1-OE1 2.86Å; R1222-E1652 IonicContact NH2-OE1 2.62Å; R1222-E1652 PolarHBondContact NH2-OE1 3.41Å; R1222-E1652 IonicContact NH2-OE2 2.93Å; R1222-E1652 PolarHBondContact NH2-OE2 3.24Å | ||
| 1223 | N | 80 | Confident | 83.4 | Confident | 32 Ų | 32 | 37.4 Ų | 37.4 | 17% | 0.171 | 18% | 0.18 | C | C | . | . | trans | -97.2 | 114.4 | -178.7 | -178.8 | -6.7 | 0 | 0 | 0 | 110.1 | I1221 K1225 T1226 D1653 | I1221-N1223 VanDerWaalsContact C-N 3.34Å; I1221-N1223 PolarHBondContact O-N 3.47Å; N1223-K1225 PolarHBondContact O-N 3.17Å; N1223-K1225 WeakPolarHBondContact OD1-CB 3.23Å; N1223-K1225 PolarHBondContact OD1-N 2.93Å; N1223-T1226 HydrophobicContact CB-CG2 3.77Å; N1223-T1226 PolarHBondContact O-N 2.7Å; N1223-T1226 PolarHBondContact O-OG1 3.4Å; N1223-D1653 PolarHBondContact ND2-OD1 3.43Å | ||
| 1224 | P | 78.2 | Confident | 82.9 | Confident | 20 Ų | 20 | 40.1 Ų | 40.1 | 13% | 0.13 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -13.2 | -174 | 31.1 | -35.7 | 0 | 0 | 0 | 113.8 | T1226 F1229 W1256 S1257 Y1270 | P1224-T1226 VanDerWaalsContact C-N 3.31Å; P1224-F1229 VanDerWaalsContact CA-CD1 3.43Å; P1224-F1229 HydrophobicContact CB-CD1 3.95Å; P1224-F1229 HydrophobicContact CB-CE1 3.69Å; P1224-F1229 HydrophobicContact CB-CZ 4.15Å; P1224-F1229 VanDerWaalsContact O-CD1 3.23Å; P1224-F1229 WeakPolarHBondContact O-CD1 3.42Å; P1224-W1256 HydrophobicContact CB-CE3 4.17Å; P1224-W1256 HydrophobicContact CB-CZ3 3.56Å; P1224-W1256 HydrophobicContact CG-CE3 4.32Å; P1224-W1256 HydrophobicContact CG-CZ3 4.05Å; P1224-S1257 WeakPolarHBondContact CD-OG 3.41Å; P1224-Y1270 HydrophobicContact CG-CE2 4.31Å |
| 1225 | K | 78.6 | Confident | 82.5 | Confident | 146 Ų | 146 | 40.1 Ų | 40.1 | 64% | 0.635 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -19.2 | 176.3 | -62 | -178 | -177.9 | 175.2 | 0 | 112.8 | N1223 | N1223-K1225 PolarHBondContact O-N 3.17Å; N1223-K1225 WeakPolarHBondContact OD1-CB 3.23Å; N1223-K1225 PolarHBondContact OD1-N 2.93Å |
| 1226 | T | 82.3 | Confident | 81.9 | Confident | 31 Ų | 31 | 47.4 Ų | 47.4 | 19% | 0.19 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -67.3 | 143 | -175 | 62.5 | 0 | 0 | 0 | 0 | 111.6 | N1223 P1224 L1228 F1229 K1230 | N1223-T1226 HydrophobicContact CB-CG2 3.77Å; N1223-T1226 PolarHBondContact O-N 2.7Å; N1223-T1226 PolarHBondContact O-OG1 3.4Å; P1224-T1226 VanDerWaalsContact C-N 3.31Å; T1226-L1228 PolarHBondContact O-N 3.42Å; T1226-F1229 WeakPolarHBondContact O-CB 3.28Å; T1226-F1229 PolarHBondContact O-N 3.23Å; T1226-F1229 VanDerWaalsContact OG1-CB 3.31Å; T1226-F1229 WeakPolarHBondContact OG1-CB 3.08Å; T1226-F1229 PolarHBondContact OG1-N 3.11Å; T1226-K1230 PolarHBondContact O-N 2.95Å |
| 1227 | Q | 80.5 | Confident | 81.7 | Confident | 149 Ų | 149 | 48 Ų | 48 | 70% | 0.696 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -60.8 | -32.3 | 173.3 | -70.3 | -179.7 | -5.1 | 0 | 0 | 111.7 | F1229 K1230 A1231 | Q1227-F1229 VanDerWaalsContact C-N 3.34Å; Q1227-F1229 PolarHBondContact O-N 3.11Å; Q1227-K1230 PolarHBondContact O-N 2.9Å; Q1227-A1231 WeakPolarHBondContact O-CB 2.98Å; Q1227-A1231 PolarHBondContact O-N 3.27Å |
| 1228 | L | 82.4 | Confident | 81.4 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60 | -43.7 | 176.6 | -173.5 | 66.7 | 0 | 0 | 0 | 111.8 | Y1195 L1198 I1221 T1226 A1231 A1232 | Y1195-L1228 HydrophobicContact CD1-CD1 4Å; Y1195-L1228 HydrophobicContact CD1-CD2 4.07Å; Y1195-L1228 HydrophobicContact CD1-CG 4.36Å; Y1195-L1228 HydrophobicContact CG-CD1 4.48Å; Y1195-L1228 HydrophobicContact CG-CD2 4.41Å; L1198-L1228 HydrophobicContact CB-CD1 4.2Å; L1198-L1228 HydrophobicContact CD1-CD1 4.1Å; I1221-L1228 HydrophobicContact CG2-CD2 4.31Å; I1221-L1228 HydrophobicContact CG2-CG 4.32Å; T1226-L1228 PolarHBondContact O-N 3.42Å; L1228-A1231 PolarHBondContact O-N 2.94Å; L1228-A1232 WeakPolarHBondContact O-CB 3.49Å; L1228-A1232 PolarHBondContact O-N 3.45Å |
| 1229 | F | 84.7 | Confident | 81.6 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 175.8 | 176.3 | -102.7 | 0 | 0 | 0 | 111.6 | I1221 P1224 T1226 Q1227 A1231 A1232 L1233 W1256 S1257 E1260 | I1221-F1229 HydrophobicContact CB-CD2 4.26Å; I1221-F1229 WeakPolarHBondContact O-CD2 3.23Å; P1224-F1229 VanDerWaalsContact CA-CD1 3.43Å; P1224-F1229 HydrophobicContact CB-CD1 3.95Å; P1224-F1229 HydrophobicContact CB-CE1 3.69Å; P1224-F1229 HydrophobicContact CB-CZ 4.15Å; P1224-F1229 VanDerWaalsContact O-CD1 3.23Å; P1224-F1229 WeakPolarHBondContact O-CD1 3.42Å; T1226-F1229 WeakPolarHBondContact O-CB 3.28Å; T1226-F1229 PolarHBondContact O-N 3.23Å; T1226-F1229 VanDerWaalsContact OG1-CB 3.31Å; T1226-F1229 WeakPolarHBondContact OG1-CB 3.08Å; T1226-F1229 PolarHBondContact OG1-N 3.11Å; Q1227-F1229 VanDerWaalsContact C-N 3.34Å; Q1227-F1229 PolarHBondContact O-N 3.11Å; F1229-A1231 VanDerWaalsContact C-N 3.34Å; F1229-A1231 PolarHBondContact O-N 3.25Å; F1229-A1232 PolarHBondContact O-N 3.3Å; F1229-L1233 HydrophobicContact CD1-CD1 3.8Å; F1229-L1233 HydrophobicContact CD1-CG 4.4Å; F1229-L1233 HydrophobicContact CE1-CD1 3.29Å; F1229-L1233 HydrophobicContact CE1-CG 4.09Å; F1229-L1233 HydrophobicContact CE2-CD1 4.32Å; F1229-L1233 HydrophobicContact CE2-CD2 4.4Å; F1229-L1233 HydrophobicContact CE2-CG 4.29Å; F1229-L1233 HydrophobicContact CZ-CD1 3.6Å; F1229-L1233 HydrophobicContact CZ-CD2 4.18Å; F1229-L1233 HydrophobicContact CZ-CG 4.03Å; F1229-L1233 WeakPolarHBondContact O-CG 3.39Å; F1229-L1233 PolarHBondContact O-N 3.18Å; F1229-W1256 HydrophobicContact CZ-CZ3 4.36Å; F1229-S1257 VanDerWaalsContact CE2-O 3.31Å; F1229-S1257 WeakPolarHBondContact CE2-O 3.41Å; F1229-E1260 HydrophobicContact CZ-CB 3.95Å; F1229-E1260 HydrophobicContact CZ-CG 3.89Å |
| 1230 | K | 81.7 | Confident | 82.1 | Confident | 134 Ų | 134 | 52.6 Ų | 52.6 | 58% | 0.583 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -60.2 | -43.1 | 177.1 | -65 | -178.7 | -179.2 | -179.9 | 0 | 112.2 | T1226 Q1227 L1233 S1234 | T1226-K1230 PolarHBondContact O-N 2.95Å; Q1227-K1230 PolarHBondContact O-N 2.9Å; K1230-L1233 PolarHBondContact O-N 3.32Å; K1230-S1234 PolarHBondContact O-N 3.14Å |
| 1231 | A | 82.3 | Confident | 82.6 | Confident | 16 Ų | 16 | 49 Ų | 49 | 13% | 0.132 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1198 F1206 Q1227 L1228 F1229 L1233 S1234 | L1198-A1231 HydrophobicContact CB-CB 4.06Å; F1206-A1231 WeakPolarHBondContact CE1-O 3.31Å; F1206-A1231 HydrophobicContact CZ-CB 4.37Å; Q1227-A1231 WeakPolarHBondContact O-CB 2.98Å; Q1227-A1231 PolarHBondContact O-N 3.27Å; L1228-A1231 PolarHBondContact O-N 2.94Å; F1229-A1231 VanDerWaalsContact C-N 3.34Å; F1229-A1231 PolarHBondContact O-N 3.25Å; A1231-L1233 VanDerWaalsContact C-N 3.31Å; A1231-L1233 PolarHBondContact O-N 3.45Å; A1231-S1234 PolarHBondContact O-N 3.25Å; A1231-S1234 VanDerWaalsContact O-N 3.11Å; A1231-S1234 PolarHBondContact O-OG 3.27Å |
| 1232 | A | 84.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -38.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1221 L1228 F1229 S1234 I1235 F1261 | I1221-A1232 HydrophobicContact CG2-CB 4.34Å; L1228-A1232 WeakPolarHBondContact O-CB 3.49Å; L1228-A1232 PolarHBondContact O-N 3.45Å; F1229-A1232 PolarHBondContact O-N 3.3Å; A1232-S1234 VanDerWaalsContact C-N 3.27Å; A1232-S1234 PolarHBondContact O-N 3.04Å; A1232-I1235 PolarHBondContact O-N 2.91Å; A1232-F1261 HydrophobicContact CB-CD2 4.14Å; A1232-F1261 HydrophobicContact CB-CE2 4.27Å; A1232-F1261 WeakPolarHBondContact O-CE2 3.48Å |
| 1233 | L | 83.1 | Confident | 83.6 | Confident | 51 Ų | 51 | 46.5 Ų | 46.5 | 27% | 0.267 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.4 | -31 | 175.9 | -74.5 | 176.5 | 0 | 0 | 0 | 113.5 | F1229 K1230 A1231 I1235 E1260 F1261 | F1229-L1233 HydrophobicContact CD1-CD1 3.8Å; F1229-L1233 HydrophobicContact CD1-CG 4.4Å; F1229-L1233 HydrophobicContact CE1-CD1 3.29Å; F1229-L1233 HydrophobicContact CE1-CG 4.09Å; F1229-L1233 HydrophobicContact CE2-CD1 4.32Å; F1229-L1233 HydrophobicContact CE2-CD2 4.4Å; F1229-L1233 HydrophobicContact CE2-CG 4.29Å; F1229-L1233 HydrophobicContact CZ-CD1 3.6Å; F1229-L1233 HydrophobicContact CZ-CD2 4.18Å; F1229-L1233 HydrophobicContact CZ-CG 4.03Å; F1229-L1233 WeakPolarHBondContact O-CG 3.39Å; F1229-L1233 PolarHBondContact O-N 3.18Å; K1230-L1233 PolarHBondContact O-N 3.32Å; A1231-L1233 VanDerWaalsContact C-N 3.31Å; A1231-L1233 PolarHBondContact O-N 3.45Å; L1233-I1235 PolarHBondContact O-N 3.47Å; L1233-E1260 HydrophobicContact CD1-CG 4.4Å; L1233-E1260 HydrophobicContact CD2-CG 4.01Å; L1233-E1260 WeakPolarHBondContact CD2-O 3.47Å; L1233-F1261 HydrophobicContact CD2-CB 4.45Å |
| 1234 | S | 80.8 | Confident | 83.8 | Confident | 57 Ų | 57 | 45 Ų | 45 | 40% | 0.399 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -9 | -178.8 | 67 | 0 | 0 | 0 | 0 | 114.2 | F1206 K1230 A1231 A1232 R1236 | F1206-S1234 WeakPolarHBondContact CD1-OG 3.5Å; F1206-S1234 WeakPolarHBondContact CE1-OG 3.34Å; K1230-S1234 PolarHBondContact O-N 3.14Å; A1231-S1234 PolarHBondContact O-N 3.25Å; A1231-S1234 VanDerWaalsContact O-N 3.11Å; A1231-S1234 PolarHBondContact O-OG 3.27Å; A1232-S1234 VanDerWaalsContact C-N 3.27Å; A1232-S1234 PolarHBondContact O-N 3.04Å; S1234-R1236 PolarHBondContact O-N 3.27Å |
| 1235 | I | 83.6 | Confident | 83.7 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | trans | -74 | 126.2 | 179.1 | -57.1 | 172.9 | 0 | 0 | 0 | 110.5 | L1146 L1148 L1198 F1206 C1213 A1232 L1233 R1240 | L1146-I1235 HydrophobicContact CD2-CD1 4.45Å; L1146-I1235 HydrophobicContact CD2-CG2 4.36Å; L1148-I1235 HydrophobicContact CD1-CD1 3.56Å; L1198-I1235 HydrophobicContact CD1-CD1 4.2Å; L1198-I1235 HydrophobicContact CD2-CD1 3.85Å; F1206-I1235 HydrophobicContact CD1-CG1 4.29Å; F1206-I1235 HydrophobicContact CE1-CG1 4.1Å; C1213-I1235 HydrophobicContact CB-CG2 4.49Å; A1232-I1235 PolarHBondContact O-N 2.91Å; L1233-I1235 PolarHBondContact O-N 3.47Å; I1235-R1240 PolarHBondContact O-NH2 3.33Å | ||
| 1236 | R | 79.4 | Confident | 83.6 | Confident | 152 Ų | 152 | 38.7 Ų | 38.7 | 57% | 0.574 | 19% | 0.19 | S | C | * | . | trans | -90.2 | 116.8 | 177.5 | -63.4 | 178.4 | -177.7 | 168.8 | 1.8 | 110.2 | W1210 S1234 | W1210-R1236 PolarHBondContact N-O 3.11Å; S1234-R1236 PolarHBondContact O-N 3.27Å | ||
| 1237 | A | 84.4 | Confident | 83.1 | Confident | 20 Ų | 20 | 37.2 Ų | 37.2 | 17% | 0.165 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 141.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | W1210 C1213 R1240 | W1210-A1237 HydrophobicContact CB-CB 4.19Å; W1210-A1237 CarbonylContact O-C 3.58Å; W1210-A1237 VanDerWaalsContact O-CA 3.25Å; W1210-A1237 WeakPolarHBondContact O-CA 3.33Å; C1213-A1237 HydrophobicContact CB-CB 3.46Å; C1213-A1237 VanDerWaalsContact CB-CB 3.46Å; A1237-R1240 HydrophobicContact CB-CG 4.15Å |
| 1238 | K | 78.9 | Confident | 82.9 | Confident | 97 Ų | 97 | 30.3 Ų | 30.3 | 42% | 0.422 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | -40.3 | 174.5 | -71 | -171.8 | 173.7 | -176 | 0 | 111.8 | H1109 V1142 W1210 L1211 | H1109-K1238 PolarHBondContact CE1-O 3.43Å; V1142-K1238 HydrophobicContact CB-CD 4.3Å; V1142-K1238 HydrophobicContact CG1-CD 3.96Å; V1142-K1238 HydrophobicContact CG1-CG 4.38Å; W1210-K1238 PolarHBondContact O-N 3.24Å; L1211-K1238 HydrophobicContact CD1-CD 4.34Å |
| 1239 | H | 85.6 | Confident | 82.3 | Confident | 16 Ų | 16 | 30.1 Ų | 30.1 | 7% | 0.074 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.3 | 174.7 | -56.3 | -71.6 | 0 | 0 | 0 | 110.8 | K1104 L1211 Y1212 C1213 | K1104-H1239 PolarHBondContact O-CE1 3.43Å; L1211-H1239 PolarHBondContact O-N 3.03Å; Y1212-H1239 CarbonylContact C-O 3.6Å; Y1212-H1239 WeakPolarHBondContact CA-O 3.39Å; Y1212-H1239 HydrophobicContact CD1-CB 3.69Å; Y1212-H1239 HydrophobicContact CD2-CB 4.12Å; Y1212-H1239 HydrophobicContact CE1-CB 3.46Å; Y1212-H1239 VanDerWaalsContact CE1-CB 3.46Å; Y1212-H1239 HydrophobicContact CE2-CB 3.9Å; Y1212-H1239 AromaticContact CE2-CD2 3.87Å; Y1212-H1239 HydrophobicContact CG-CB 4.01Å; Y1212-H1239 AromaticContact CZ-CG 3.95Å; C1213-H1239 PolarHBondContact N-O 3.43Å |
| 1240 | R | 90.2 | Very high | 81.5 | Confident | 33 Ų | 33 | 31.6 Ų | 31.6 | 13% | 0.125 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 133.6 | 177.7 | -63 | -179.1 | 175.8 | 175.2 | -5.9 | 110 | H1109 G1110 I1235 A1237 F1261 L1262 | H1109-R1240 WeakPolarHBondContact CA-O 3.46Å; H1109-R1240 HydrophobicContact CB-CB 4.32Å; H1109-R1240 WeakPolarHBondContact CB-O 3.37Å; H1109-R1240 PolarHBondContact ND1-N 2.9Å; G1110-R1240 PolarHBondContact N-O 2.95Å; I1235-R1240 PolarHBondContact O-NH2 3.33Å; A1237-R1240 HydrophobicContact CB-CG 4.15Å; R1240-F1261 HydrophobicContact CB-CE1 4.11Å; R1240-F1261 WeakPolarHBondContact CD-O 3.22Å; R1240-F1261 HydrophobicContact CG-CE1 4.48Å; R1240-F1261 HydrophobicContact CG-CZ 4.48Å; R1240-F1261 PolarHBondContact NH1-O 2.96Å; R1240-L1262 HydrophobicContact CB-CD2 4.19Å |
| 1241 | L | 91.8 | Very high | 81 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 129.1 | 179.4 | 178.3 | 61.6 | 0 | 0 | 0 | 109.5 | L1100 G1110 L1112 T1124 Y1212 C1213 V1214 L1215 L1243 | L1100-L1241 HydrophobicContact CD2-CD1 3.65Å; L1100-L1241 HydrophobicContact CD2-CD2 4.18Å; G1110-L1241 WeakPolarHBondContact O-CA 3.21Å; G1110-L1241 WeakPolarHBondContact O-CD1 3.23Å; L1112-L1241 HydrophobicContact CB-CD1 4.38Å; T1124-L1241 HydrophobicContact CG2-CD2 3.82Å; Y1212-L1241 HydrophobicContact CD1-CB 4.5Å; Y1212-L1241 HydrophobicContact CE1-CB 4.48Å; C1213-L1241 PolarHBondContact O-N 3.29Å; V1214-L1241 CarbonylContact C-O 3.16Å; V1214-L1241 VanDerWaalsContact CA-O 3.3Å; V1214-L1241 WeakPolarHBondContact CA-O 3.35Å; V1214-L1241 HydrophobicContact CG2-CB 4.32Å; V1214-L1241 HydrophobicContact CG2-CD2 4.38Å; L1215-L1241 PolarHBondContact N-O 3.32Å; L1241-L1243 HydrophobicContact CD1-CD2 4.25Å; L1241-L1243 HydrophobicContact CD2-CD2 3.89Å; L1241-L1243 HydrophobicContact CG-CD2 3.85Å |
| 1242 | I | 92.6 | Very high | 80.8 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.7 | 171.3 | -63.3 | 175 | 0 | 0 | 0 | 108.7 | G1110 I1111 L1112 L1215 L1258 F1261 L1262 | G1110-I1242 PolarHBondContact O-N 2.98Å; G1110-I1242 VanDerWaalsContact O-N 3.1Å; I1111-I1242 CarbonylContact C-O 3.52Å; I1111-I1242 WeakPolarHBondContact CA-O 3.32Å; I1111-I1242 HydrophobicContact CB-CB 4.49Å; I1111-I1242 HydrophobicContact CG1-CB 4.29Å; I1111-I1242 HydrophobicContact CG2-CB 3.98Å; I1111-I1242 HydrophobicContact CG2-CG2 3.94Å; L1112-I1242 PolarHBondContact N-O 3.3Å; L1215-I1242 HydrophobicContact CB-CG1 4.36Å; I1242-L1258 HydrophobicContact CD1-CB 3.99Å; I1242-L1258 HydrophobicContact CD1-CD2 3.85Å; I1242-L1258 HydrophobicContact CD1-CG 4.48Å; I1242-L1258 HydrophobicContact CG2-CD2 4.47Å; I1242-F1261 HydrophobicContact CD1-CD1 3.79Å; I1242-F1261 HydrophobicContact CD1-CE1 4.48Å; I1242-F1261 HydrophobicContact CG1-CD1 3.82Å; I1242-F1261 HydrophobicContact CG1-CE1 4Å; I1242-L1262 HydrophobicContact CD1-CD1 4.36Å; I1242-L1262 HydrophobicContact CD1-CD2 4.02Å; I1242-L1262 HydrophobicContact CD1-CG 3.87Å; I1242-L1262 HydrophobicContact CG1-CD2 3.92Å; I1242-L1262 HydrophobicContact CG1-CG 4.34Å |
| 1243 | L | 90.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.6 | 170.5 | -47.7 | 178.1 | 0 | 0 | 0 | 108 | L1112 T1124 W1157 V1214 L1215 E1217 G1218 L1241 | L1112-L1243 HydrophobicContact CB-CD2 3.76Å; L1112-L1243 HydrophobicContact CD2-CD2 4.1Å; L1112-L1243 HydrophobicContact CG-CD2 4.47Å; T1124-L1243 HydrophobicContact CG2-CD1 4.26Å; T1124-L1243 WeakPolarHBondContact OG1-CD1 3.39Å; T1124-L1243 WeakPolarHBondContact OG1-CD2 3.47Å; W1157-L1243 HydrophobicContact CH2-CD1 3.82Å; W1157-L1243 HydrophobicContact CZ2-CD1 3.8Å; V1214-L1243 HydrophobicContact CG1-CD1 3.64Å; V1214-L1243 HydrophobicContact CG1-CG 3.77Å; L1215-L1243 PolarHBondContact O-N 3.28Å; E1217-L1243 WeakPolarHBondContact CA-O 3.34Å; E1217-L1243 PolarHBondContact N-O 3.44Å; G1218-L1243 PolarHBondContact N-O 3.23Å; L1241-L1243 HydrophobicContact CD1-CD2 4.25Å; L1241-L1243 HydrophobicContact CD2-CD2 3.89Å; L1241-L1243 HydrophobicContact CG-CD2 3.85Å |
| 1244 | S | 85.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -156.1 | 125 | 173.1 | -175 | 0 | 0 | 0 | 0 | 109.8 | L1112 C1113 T1246 | L1112-S1244 PolarHBondContact O-N 3.38Å; C1113-S1244 VanDerWaalsContact CA-O 3.24Å; C1113-S1244 WeakPolarHBondContact CA-O 3.5Å; C1113-S1244 PolarHBondContact SG-O 3.45Å; C1113-S1244 VanDerWaalsContact SG-O 3.4Å; S1244-T1246 PolarHBondContact O-N 2.92Å; S1244-T1246 VanDerWaalsContact OG-C 3.26Å; S1244-T1246 PolarHBondContact OG-N 3.17Å; S1244-T1246 PolarHBondContact OG-O 3.03Å | ||
| 1245 | G | 75.7 | Confident | 80.9 | Confident | 9 Ų | 9 | 23.5 Ų | 23.5 | 9% | 0.093 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -67.2 | -17.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1246 | T | 75.7 | Confident | 81 | Confident | 24 Ų | 24 | 24.6 Ų | 24.6 | 15% | 0.147 | 12% | 0.119 | C | C | . | . | trans | -142.9 | 78.1 | -176.9 | 48.6 | 0 | 0 | 0 | 0 | 109.4 | S1244 V1248 T1544 | S1244-T1246 PolarHBondContact O-N 2.92Å; S1244-T1246 VanDerWaalsContact OG-C 3.26Å; S1244-T1246 PolarHBondContact OG-N 3.17Å; S1244-T1246 PolarHBondContact OG-O 3.03Å; T1246-V1248 VanDerWaalsContact C-N 3.29Å; T1246-V1248 PolarHBondContact O-N 3.3Å; T1246-T1544 HydrophobicContact CG2-CG2 3.82Å; T1246-T1544 WeakPolarHBondContact OG1-CG2 3.46Å | ||
| 1247 | P | 72.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -68.6 | -29.6 | -175.7 | 32.8 | -39.3 | 0 | 0 | 0 | 112.1 | I1111 C1113 L1258 I1592 | I1111-P1247 HydrophobicContact CG2-CB 4.5Å; C1113-P1247 HydrophobicContact CB-CG 4.49Å; C1113-P1247 WeakPolarHBondContact SG-CG 3.23Å; P1247-L1258 HydrophobicContact CB-CD1 3.73Å; P1247-L1258 WeakPolarHBondContact O-CD1 3.32Å; P1247-I1592 HydrophobicContact CG-CD1 3.32Å; P1247-I1592 HydrophobicContact CG-CG1 4.08Å |
| 1248 | V | 75.6 | Confident | 81.6 | Confident | 5 Ų | 5 | 16.4 Ų | 16.4 | 3% | 0.03 | 8% | 0.084 | C | C | . | . | trans | -117 | 128 | 176.5 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | T1246 L1255 A1588 I1592 | T1246-V1248 VanDerWaalsContact C-N 3.29Å; T1246-V1248 PolarHBondContact O-N 3.3Å; V1248-L1255 HydrophobicContact CG2-CD1 3.83Å; V1248-L1255 HydrophobicContact CG2-CD2 3.53Å; V1248-L1255 HydrophobicContact CG2-CG 3.44Å; V1248-L1255 VanDerWaalsContact CG2-CG 3.44Å; V1248-A1588 HydrophobicContact CB-CB 4.42Å; V1248-A1588 VanDerWaalsContact O-CB 3.28Å; V1248-A1588 WeakPolarHBondContact O-CB 3.31Å; V1248-I1592 HydrophobicContact CB-CD1 4.05Å; V1248-I1592 HydrophobicContact CG2-CD1 3.96Å; V1248-I1592 HydrophobicContact CG2-CG1 4.1Å | ||
| 1249 | Q | 68.7 | Low | 81.9 | Confident | 8 Ų | 8 | 11.8 Ų | 11.8 | 4% | 0.037 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -121.3 | -53.1 | -176.5 | -57.8 | -175 | -3.8 | 0 | 0 | 112.1 | H1219 E1254 N1542 K1584 | H1219-Q1249 PolarHBondContact CD2-NE2 3.05Å; H1219-Q1249 VanDerWaalsContact CD2-NE2 3.26Å; Q1249-E1254 PolarHBondContact N-OE2 3.33Å; Q1249-N1542 PolarHBondContact OE1-ND2 2.99Å; Q1249-K1584 WeakPolarHBondContact O-CB 3.36Å |
| 1250 | N | 68.4 | Low | 81.9 | Confident | 39 Ų | 39 | 12.9 Ų | 12.9 | 21% | 0.209 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -116.8 | -37.4 | -175.1 | -56.8 | -57 | 0 | 0 | 0 | 113.3 | R1222 E1254 K1584 E1652 | R1222-N1250 PolarHBondContact NH1-ND2 3.04Å; N1250-E1254 WeakPolarHBondContact CA-OE1 3.3Å; N1250-E1254 VanDerWaalsContact CB-OE1 3.25Å; N1250-E1254 WeakPolarHBondContact CB-OE1 3.13Å; N1250-E1254 PolarHBondContact N-OE1 2.93Å; N1250-K1584 WeakPolarHBondContact OD1-CE 3.31Å; N1250-K1584 PolarHBondContact OD1-NZ 3.3Å; N1250-E1652 PolarHBondContact ND2-OE1 3.42Å |
| 1251 | S | 72.4 | Confident | 81.7 | Confident | 36 Ų | 36 | 11.3 Ų | 11.3 | 25% | 0.252 | 6% | 0.063 | S | C | . | . | trans | -142 | 147.1 | -172 | -165.6 | 0 | 0 | 0 | 0 | 113.7 | L1253 E1254 | S1251-L1253 PolarHBondContact O-N 3.49Å; S1251-L1253 VanDerWaalsContact O-N 3.11Å; S1251-L1253 PolarHBondContact OG-N 2.99Å; S1251-E1254 PolarHBondContact N-OE1 3.09Å; S1251-E1254 VanDerWaalsContact N-OE1 3.11Å; S1251-E1254 VanDerWaalsContact O-CB 3.31Å; S1251-E1254 WeakPolarHBondContact O-CB 3.36Å; S1251-E1254 VanDerWaalsContact O-CG 3.22Å; S1251-E1254 WeakPolarHBondContact O-CG 3.05Å; S1251-E1254 PolarHBondContact O-N 3.26Å | ||
| 1252 | V | 78.4 | Confident | 81.3 | Confident | 11 Ų | 11 | 11.2 Ų | 11.2 | 7% | 0.067 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23.1 | 167.1 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | E1254 L1255 F1273 I1281 L1304 V1591 | V1252-E1254 PolarHBondContact O-N 2.96Å; V1252-L1255 WeakPolarHBondContact O-CB 3.42Å; V1252-L1255 PolarHBondContact O-N 3.22Å; V1252-F1273 HydrophobicContact CG1-CZ 4.14Å; V1252-I1281 HydrophobicContact CG1-CD1 4.39Å; V1252-L1304 HydrophobicContact CG1-CD2 3.17Å; V1252-V1591 HydrophobicContact CG2-CG2 4.08Å |
| 1253 | L | 82.2 | Confident | 80.8 | Confident | 30 Ų | 30 | 11.2 Ų | 11.2 | 16% | 0.157 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.3 | -28.1 | 174.6 | -178.6 | 63.8 | 0 | 0 | 0 | 113.2 | S1251 L1255 W1256 S1257 Y1270 F1273 L1278 | S1251-L1253 PolarHBondContact O-N 3.49Å; S1251-L1253 VanDerWaalsContact O-N 3.11Å; S1251-L1253 PolarHBondContact OG-N 2.99Å; L1253-L1255 PolarHBondContact O-N 3.02Å; L1253-W1256 HydrophobicContact CD1-CB 4.21Å; L1253-W1256 WeakPolarHBondContact O-CB 3.44Å; L1253-W1256 PolarHBondContact O-N 3.4Å; L1253-S1257 PolarHBondContact O-N 3.45Å; L1253-Y1270 HydrophobicContact CD1-CD2 4.03Å; L1253-Y1270 HydrophobicContact CD1-CE2 3.48Å; L1253-Y1270 VanDerWaalsContact CD1-CE2 3.48Å; L1253-Y1270 HydrophobicContact CD2-CE2 4.06Å; L1253-Y1270 HydrophobicContact CG-CE2 4.37Å; L1253-F1273 HydrophobicContact CD1-CD1 4.32Å; L1253-F1273 HydrophobicContact CD1-CE1 4.38Å; L1253-L1278 HydrophobicContact CB-CD1 4.33Å |
| 1254 | E | 83.8 | Confident | 80 | Confident | 10 Ų | 10 | 12.1 Ų | 12.1 | 5% | 0.047 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63.2 | -33.7 | 179.9 | -56.9 | 175.9 | -166.5 | 0 | 0 | 111.1 | R1222 Q1249 N1250 S1251 V1252 W1256 S1257 L1258 | R1222-E1254 HydrophobicContact CB-CB 4Å; R1222-E1254 HydrophobicContact CB-CG 3.87Å; Q1249-E1254 PolarHBondContact N-OE2 3.33Å; N1250-E1254 WeakPolarHBondContact CA-OE1 3.3Å; N1250-E1254 VanDerWaalsContact CB-OE1 3.25Å; N1250-E1254 WeakPolarHBondContact CB-OE1 3.13Å; N1250-E1254 PolarHBondContact N-OE1 2.93Å; S1251-E1254 PolarHBondContact N-OE1 3.09Å; S1251-E1254 VanDerWaalsContact N-OE1 3.11Å; S1251-E1254 VanDerWaalsContact O-CB 3.31Å; S1251-E1254 WeakPolarHBondContact O-CB 3.36Å; S1251-E1254 VanDerWaalsContact O-CG 3.22Å; S1251-E1254 WeakPolarHBondContact O-CG 3.05Å; S1251-E1254 PolarHBondContact O-N 3.26Å; V1252-E1254 PolarHBondContact O-N 2.96Å; E1254-W1256 VanDerWaalsContact C-N 3.31Å; E1254-W1256 PolarHBondContact O-N 2.85Å; E1254-S1257 PolarHBondContact O-N 3.46Å; E1254-L1258 WeakPolarHBondContact O-CG 3.24Å; E1254-L1258 PolarHBondContact O-N 3.41Å |
| 1255 | L | 82.9 | Confident | 79.4 | Confident | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63 | -37.8 | 173.4 | -72.7 | 167 | 0 | 0 | 0 | 112.3 | V1248 V1252 L1253 S1257 L1258 F1259 I1312 V1591 | V1248-L1255 HydrophobicContact CG2-CD1 3.83Å; V1248-L1255 HydrophobicContact CG2-CD2 3.53Å; V1248-L1255 HydrophobicContact CG2-CG 3.44Å; V1248-L1255 VanDerWaalsContact CG2-CG 3.44Å; V1252-L1255 WeakPolarHBondContact O-CB 3.42Å; V1252-L1255 PolarHBondContact O-N 3.22Å; L1253-L1255 PolarHBondContact O-N 3.02Å; L1255-S1257 VanDerWaalsContact C-N 3.3Å; L1255-S1257 PolarHBondContact O-N 3.42Å; L1255-L1258 PolarHBondContact O-N 3.2Å; L1255-F1259 HydrophobicContact CD2-CE2 4.36Å; L1255-F1259 WeakPolarHBondContact O-CB 3.4Å; L1255-F1259 WeakPolarHBondContact O-CD2 3.32Å; L1255-F1259 PolarHBondContact O-N 3.41Å; L1255-I1312 HydrophobicContact CD2-CD1 4.33Å; L1255-V1591 HydrophobicContact CD1-CB 4.35Å; L1255-V1591 HydrophobicContact CD1-CG1 3.18Å |
| 1256 | W | 87.2 | Confident | 79.5 | Confident | 23 Ų | 23 | 12.7 Ų | 12.7 | 9% | 0.087 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59 | -46 | 176.5 | -177 | 84.1 | 0 | 0 | 0 | 110.5 | P1224 F1229 L1253 E1254 F1259 E1260 G1268 Y1270 F1273 | P1224-W1256 HydrophobicContact CB-CE3 4.17Å; P1224-W1256 HydrophobicContact CB-CZ3 3.56Å; P1224-W1256 HydrophobicContact CG-CE3 4.32Å; P1224-W1256 HydrophobicContact CG-CZ3 4.05Å; F1229-W1256 HydrophobicContact CZ-CZ3 4.36Å; L1253-W1256 HydrophobicContact CD1-CB 4.21Å; L1253-W1256 WeakPolarHBondContact O-CB 3.44Å; L1253-W1256 PolarHBondContact O-N 3.4Å; E1254-W1256 VanDerWaalsContact C-N 3.31Å; E1254-W1256 PolarHBondContact O-N 2.85Å; W1256-F1259 PolarHBondContact O-N 3.06Å; W1256-E1260 HydrophobicContact CH2-CG 4.19Å; W1256-E1260 HydrophobicContact CZ2-CG 4.34Å; W1256-E1260 WeakPolarHBondContact O-CB 3.24Å; W1256-E1260 PolarHBondContact O-N 3.45Å; W1256-G1268 PolarHBondContact NE1-O 3.32Å; W1256-Y1270 HydrophobicContact CD2-CD2 4.35Å; W1256-Y1270 HydrophobicContact CE3-CD2 4.05Å; W1256-Y1270 HydrophobicContact CH2-CD2 4.31Å; W1256-Y1270 HydrophobicContact CZ3-CD2 4.03Å; W1256-F1273 HydrophobicContact CB-CD1 3.88Å; W1256-F1273 HydrophobicContact CB-CD2 4.36Å; W1256-F1273 HydrophobicContact CB-CE1 3.81Å; W1256-F1273 HydrophobicContact CB-CE2 4.29Å; W1256-F1273 HydrophobicContact CB-CG 4.16Å; W1256-F1273 HydrophobicContact CB-CZ 4.01Å; W1256-F1273 AromaticContact CD1-CD2 3.69Å; W1256-F1273 AromaticContact CD1-CG 3.48Å; W1256-F1273 VanDerWaalsContact CD1-CG 3.48Å; W1256-F1273 HydrophobicContact CG-CB 4.39Å; W1256-F1273 HydrophobicContact CG-CD1 4.07Å; W1256-F1273 HydrophobicContact CG-CD2 4.36Å; W1256-F1273 HydrophobicContact CG-CE1 4.48Å; W1256-F1273 HydrophobicContact CG-CG 4.01Å |
| 1257 | S | 86.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 176.7 | -50.2 | 0 | 0 | 0 | 0 | 112.2 | I1221 R1222 P1224 F1229 L1253 E1254 L1255 F1259 E1260 F1261 | I1221-S1257 WeakPolarHBondContact O-CB 3.39Å; R1222-S1257 WeakPolarHBondContact O-CB 3.47Å; R1222-S1257 PolarHBondContact O-OG 2.95Å; P1224-S1257 WeakPolarHBondContact CD-OG 3.41Å; F1229-S1257 VanDerWaalsContact CE2-O 3.31Å; F1229-S1257 WeakPolarHBondContact CE2-O 3.41Å; L1253-S1257 PolarHBondContact O-N 3.45Å; E1254-S1257 PolarHBondContact O-N 3.46Å; L1255-S1257 VanDerWaalsContact C-N 3.3Å; L1255-S1257 PolarHBondContact O-N 3.42Å; S1257-F1259 PolarHBondContact O-N 3.42Å; S1257-E1260 PolarHBondContact O-N 3.17Å; S1257-F1261 PolarHBondContact O-N 3.02Å; S1257-F1261 VanDerWaalsContact O-N 3.09Å |
| 1258 | L | 88.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 178.6 | -63.4 | 176.6 | 0 | 0 | 0 | 112 | I1111 G1218 I1221 I1242 P1247 E1254 L1255 F1261 L1262 | I1111-L1258 HydrophobicContact CD1-CB 4.21Å; I1111-L1258 HydrophobicContact CD1-CD1 4.38Å; G1218-L1258 WeakPolarHBondContact O-CD2 3.5Å; I1221-L1258 HydrophobicContact CD1-CD2 4.19Å; I1221-L1258 HydrophobicContact CG1-CD2 3.99Å; I1242-L1258 HydrophobicContact CD1-CB 3.99Å; I1242-L1258 HydrophobicContact CD1-CD2 3.85Å; I1242-L1258 HydrophobicContact CD1-CG 4.48Å; I1242-L1258 HydrophobicContact CG2-CD2 4.47Å; P1247-L1258 HydrophobicContact CB-CD1 3.73Å; P1247-L1258 WeakPolarHBondContact O-CD1 3.32Å; E1254-L1258 WeakPolarHBondContact O-CG 3.24Å; E1254-L1258 PolarHBondContact O-N 3.41Å; L1255-L1258 PolarHBondContact O-N 3.2Å; L1258-F1261 PolarHBondContact O-N 3.29Å; L1258-L1262 WeakPolarHBondContact O-CG 3.22Å; L1258-L1262 PolarHBondContact O-N 3.31Å |
| 1259 | F | 86.8 | Confident | 80 | Confident | 1 Ų | 1 | 15.2 Ų | 15.2 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -71.9 | -30 | 177.5 | -87.7 | -88.2 | 0 | 0 | 0 | 112.8 | I1111 L1255 W1256 S1257 F1261 L1262 M1263 Y1266 L1267 V1308 F1311 I1312 | I1111-F1259 HydrophobicContact CD1-CE2 4.09Å; L1255-F1259 HydrophobicContact CD2-CE2 4.36Å; L1255-F1259 WeakPolarHBondContact O-CB 3.4Å; L1255-F1259 WeakPolarHBondContact O-CD2 3.32Å; L1255-F1259 PolarHBondContact O-N 3.41Å; W1256-F1259 PolarHBondContact O-N 3.06Å; S1257-F1259 PolarHBondContact O-N 3.42Å; F1259-F1261 VanDerWaalsContact C-N 3.29Å; F1259-F1261 PolarHBondContact O-N 3.04Å; F1259-L1262 HydrophobicContact CE1-CD1 4.46Å; F1259-L1262 PolarHBondContact O-N 3.45Å; F1259-M1263 HydrophobicContact CD1-CE 3.87Å; F1259-M1263 HydrophobicContact CE1-CE 3.83Å; F1259-M1263 CarbonylContact O-C 3.59Å; F1259-M1263 WeakPolarHBondContact O-CA 3.47Å; F1259-M1263 PolarHBondContact O-N 2.82Å; F1259-Y1266 AromaticContact CD1-CD1 3.64Å; F1259-Y1266 HydrophobicContact CD1-CD1 3.64Å; F1259-Y1266 HydrophobicContact CD1-CE1 4.18Å; F1259-Y1266 HydrophobicContact CE1-CD1 4.08Å; F1259-Y1266 HydrophobicContact CE1-CE1 4.16Å; F1259-Y1266 HydrophobicContact CG-CD1 4.46Å; F1259-L1267 HydrophobicContact CB-CD1 3.68Å; F1259-L1267 HydrophobicContact CB-CG 4.18Å; F1259-L1267 HydrophobicContact CD2-CD1 4.15Å; F1259-L1267 HydrophobicContact CG-CD1 3.95Å; F1259-L1267 HydrophobicContact CG-CG 4.46Å; F1259-V1308 HydrophobicContact CD2-CG2 4.17Å; F1259-V1308 HydrophobicContact CE1-CG2 4.49Å; F1259-V1308 HydrophobicContact CE2-CB 4.02Å; F1259-V1308 HydrophobicContact CE2-CG1 3.42Å; F1259-V1308 VanDerWaalsContact CE2-CG1 3.42Å; F1259-V1308 HydrophobicContact CE2-CG2 3.66Å; F1259-V1308 HydrophobicContact CZ-CB 3.94Å; F1259-V1308 HydrophobicContact CZ-CG1 3.55Å; F1259-V1308 HydrophobicContact CZ-CG2 3.85Å; F1259-F1311 HydrophobicContact CE1-CB 4.04Å; F1259-F1311 HydrophobicContact CE1-CD2 4.03Å; F1259-F1311 HydrophobicContact CE1-CG 4.32Å; F1259-F1311 HydrophobicContact CZ-CB 4.15Å; F1259-I1312 HydrophobicContact CE2-CD1 4.21Å; F1259-I1312 HydrophobicContact CZ-CD1 4.47Å; F1259-I1312 HydrophobicContact CZ-CG1 4.31Å |
| 1260 | E | 85.1 | Confident | 80.4 | Confident | 38 Ų | 38 | 18.8 Ų | 18.8 | 18% | 0.178 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.1 | -35 | 173 | -172.1 | 64.2 | -167.9 | 0 | 0 | 111 | F1229 L1233 W1256 S1257 P1264 G1265 | F1229-E1260 HydrophobicContact CZ-CB 3.95Å; F1229-E1260 HydrophobicContact CZ-CG 3.89Å; L1233-E1260 HydrophobicContact CD1-CG 4.4Å; L1233-E1260 HydrophobicContact CD2-CG 4.01Å; L1233-E1260 WeakPolarHBondContact CD2-O 3.47Å; W1256-E1260 HydrophobicContact CH2-CG 4.19Å; W1256-E1260 HydrophobicContact CZ2-CG 4.34Å; W1256-E1260 WeakPolarHBondContact O-CB 3.24Å; W1256-E1260 PolarHBondContact O-N 3.45Å; S1257-E1260 PolarHBondContact O-N 3.17Å; E1260-P1264 WeakPolarHBondContact O-CA 3.28Å; E1260-P1264 WeakPolarHBondContact O-CB 3.32Å; E1260-P1264 WeakPolarHBondContact O-CD 3.34Å; E1260-P1264 VanDerWaalsContact O-CG 3.25Å; E1260-P1264 WeakPolarHBondContact O-CG 3.34Å; E1260-P1264 WeakPolarHBondContact OE1-CB 3.33Å; E1260-P1264 WeakPolarHBondContact OE2-CA 3.46Å; E1260-G1265 PolarHBondContact OE2-N 3.49Å |
| 1261 | F | 85.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.7 | -44.1 | 169.5 | 173.8 | -95.7 | 0 | 0 | 0 | 112.5 | L1215 I1221 A1232 L1233 R1240 I1242 S1257 L1258 F1259 | L1215-F1261 HydrophobicContact CD1-CD1 3.7Å; L1215-F1261 HydrophobicContact CD1-CD2 3.93Å; L1215-F1261 HydrophobicContact CD1-CE1 3.46Å; L1215-F1261 VanDerWaalsContact CD1-CE1 3.46Å; L1215-F1261 HydrophobicContact CD1-CE2 3.73Å; L1215-F1261 HydrophobicContact CD1-CG 3.92Å; L1215-F1261 HydrophobicContact CD1-CZ 3.48Å; L1215-F1261 VanDerWaalsContact CD1-CZ 3.48Å; L1215-F1261 HydrophobicContact CD2-CE2 4.44Å; L1215-F1261 HydrophobicContact CD2-CZ 4.04Å; L1215-F1261 HydrophobicContact CG-CD1 4.35Å; L1215-F1261 HydrophobicContact CG-CE1 3.62Å; L1215-F1261 HydrophobicContact CG-CE2 4.16Å; L1215-F1261 HydrophobicContact CG-CZ 3.51Å; I1221-F1261 HydrophobicContact CD1-CB 3.7Å; I1221-F1261 HydrophobicContact CD1-CD1 4.43Å; I1221-F1261 HydrophobicContact CD1-CD2 4.47Å; I1221-F1261 HydrophobicContact CD1-CG 3.94Å; A1232-F1261 HydrophobicContact CB-CD2 4.14Å; A1232-F1261 HydrophobicContact CB-CE2 4.27Å; A1232-F1261 WeakPolarHBondContact O-CE2 3.48Å; L1233-F1261 HydrophobicContact CD2-CB 4.45Å; R1240-F1261 HydrophobicContact CB-CE1 4.11Å; R1240-F1261 WeakPolarHBondContact CD-O 3.22Å; R1240-F1261 HydrophobicContact CG-CE1 4.48Å; R1240-F1261 HydrophobicContact CG-CZ 4.48Å; R1240-F1261 PolarHBondContact NH1-O 2.96Å; I1242-F1261 HydrophobicContact CD1-CD1 3.79Å; I1242-F1261 HydrophobicContact CD1-CE1 4.48Å; I1242-F1261 HydrophobicContact CG1-CD1 3.82Å; I1242-F1261 HydrophobicContact CG1-CE1 4Å; S1257-F1261 PolarHBondContact O-N 3.02Å; S1257-F1261 VanDerWaalsContact O-N 3.09Å; L1258-F1261 PolarHBondContact O-N 3.29Å; F1259-F1261 VanDerWaalsContact C-N 3.29Å; F1259-F1261 PolarHBondContact O-N 3.04Å |
| 1262 | L | 84.1 | Confident | 81 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.4 | -64.4 | 178.8 | -68.7 | 175.2 | 0 | 0 | 0 | 111.5 | H1109 I1111 R1240 I1242 L1258 F1259 | H1109-L1262 HydrophobicContact CB-CB 4.19Å; H1109-L1262 HydrophobicContact CB-CD2 3.93Å; H1109-L1262 PolarHBondContact CD2-O 3.44Å; I1111-L1262 HydrophobicContact CD1-CD1 3.79Å; I1111-L1262 HydrophobicContact CG1-CD1 3.38Å; I1111-L1262 HydrophobicContact CG1-CG 4.48Å; R1240-L1262 HydrophobicContact CB-CD2 4.19Å; I1242-L1262 HydrophobicContact CD1-CD1 4.36Å; I1242-L1262 HydrophobicContact CD1-CD2 4.02Å; I1242-L1262 HydrophobicContact CD1-CG 3.87Å; I1242-L1262 HydrophobicContact CG1-CD2 3.92Å; I1242-L1262 HydrophobicContact CG1-CG 4.34Å; L1258-L1262 WeakPolarHBondContact O-CG 3.22Å; L1258-L1262 PolarHBondContact O-N 3.31Å; F1259-L1262 HydrophobicContact CE1-CD1 4.46Å; F1259-L1262 PolarHBondContact O-N 3.45Å |
| 1263 | M | 80.5 | Confident | 81.2 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -131.4 | 86.2 | -173.3 | -65 | -179.6 | -64.3 | 0 | 0 | 109.4 | M1018 F1259 G1265 Y1266 F1311 | M1018-M1263 HydrophobicContact CE-CE 4.4Å; M1018-M1263 HydrophobicContact CE-SD 3.72Å; F1259-M1263 HydrophobicContact CD1-CE 3.87Å; F1259-M1263 HydrophobicContact CE1-CE 3.83Å; F1259-M1263 CarbonylContact O-C 3.59Å; F1259-M1263 WeakPolarHBondContact O-CA 3.47Å; F1259-M1263 PolarHBondContact O-N 2.82Å; M1263-G1265 PolarHBondContact O-N 2.74Å; M1263-Y1266 HydrophobicContact CE-CD1 3.95Å; M1263-Y1266 HydrophobicContact CE-CD2 4.46Å; M1263-Y1266 HydrophobicContact CE-CE1 4.26Å; M1263-Y1266 HydrophobicContact CE-CG 4.04Å; M1263-Y1266 VanDerWaalsContact O-CB 3.25Å; M1263-Y1266 WeakPolarHBondContact O-CB 3.1Å; M1263-Y1266 PolarHBondContact O-N 3.2Å; M1263-F1311 HydrophobicContact CE-CD1 4.03Å; M1263-F1311 HydrophobicContact CE-CD2 3.75Å; M1263-F1311 HydrophobicContact CE-CE1 4.03Å; M1263-F1311 HydrophobicContact CE-CE2 3.75Å; M1263-F1311 HydrophobicContact CE-CG 3.88Å; M1263-F1311 HydrophobicContact CE-CZ 3.89Å; M1263-F1311 HydrophobicContact SD-CE1 4.17Å; M1263-F1311 HydrophobicContact SD-CZ 4.24Å |
| 1264 | P | 74.8 | Confident | 81.1 | Confident | 19 Ų | 19 | 27.1 Ų | 27.1 | 12% | 0.123 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 129.2 | -174.1 | -10.4 | 14.5 | 0 | 0 | 0 | 112 | R1026 E1260 | R1026-P1264 WeakPolarHBondContact CD-O 3.48Å; R1026-P1264 VanDerWaalsContact CG-O 3.3Å; R1026-P1264 WeakPolarHBondContact CG-O 3.39Å; R1026-P1264 PolarHBondContact NE-O 2.91Å; E1260-P1264 WeakPolarHBondContact O-CA 3.28Å; E1260-P1264 WeakPolarHBondContact O-CB 3.32Å; E1260-P1264 WeakPolarHBondContact O-CD 3.34Å; E1260-P1264 VanDerWaalsContact O-CG 3.25Å; E1260-P1264 WeakPolarHBondContact O-CG 3.34Å; E1260-P1264 WeakPolarHBondContact OE1-CB 3.33Å; E1260-P1264 WeakPolarHBondContact OE2-CA 3.46Å |
| 1265 | G | 71.9 | Confident | 80.9 | Confident | 15 Ų | 15 | 32.6 Ų | 32.6 | 16% | 0.155 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -0.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | E1260 M1263 L1267 G1268 | E1260-G1265 PolarHBondContact OE2-N 3.49Å; M1263-G1265 PolarHBondContact O-N 2.74Å; G1265-L1267 VanDerWaalsContact C-N 3.34Å; G1265-L1267 PolarHBondContact O-N 3.4Å; G1265-G1268 PolarHBondContact O-N 3.24Å; G1265-G1268 VanDerWaalsContact O-N 3.09Å |
| 1266 | Y | 78.4 | Confident | 80.7 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -46.1 | 178.5 | -179.4 | -121.1 | 0 | 0 | 0 | 113.5 | M1018 C1030 F1033 F1259 M1263 G1268 Q1307 F1311 | M1018-Y1266 HydrophobicContact CE-CD2 3.28Å; M1018-Y1266 HydrophobicContact CE-CE2 3.45Å; M1018-Y1266 VanDerWaalsContact CE-CE2 3.45Å; M1018-Y1266 HydrophobicContact CE-CG 4.24Å; C1030-Y1266 HydrophobicContact CB-CD2 4.32Å; C1030-Y1266 VanDerWaalsContact SG-CA 3.53Å; F1033-Y1266 AromaticContact CD1-CE2 3.98Å; F1033-Y1266 HydrophobicContact CD1-CE2 3.98Å; F1033-Y1266 HydrophobicContact CE1-CE2 4.41Å; F1259-Y1266 AromaticContact CD1-CD1 3.64Å; F1259-Y1266 HydrophobicContact CD1-CD1 3.64Å; F1259-Y1266 HydrophobicContact CD1-CE1 4.18Å; F1259-Y1266 HydrophobicContact CE1-CD1 4.08Å; F1259-Y1266 HydrophobicContact CE1-CE1 4.16Å; F1259-Y1266 HydrophobicContact CG-CD1 4.46Å; M1263-Y1266 HydrophobicContact CE-CD1 3.95Å; M1263-Y1266 HydrophobicContact CE-CD2 4.46Å; M1263-Y1266 HydrophobicContact CE-CE1 4.26Å; M1263-Y1266 HydrophobicContact CE-CG 4.04Å; M1263-Y1266 VanDerWaalsContact O-CB 3.25Å; M1263-Y1266 WeakPolarHBondContact O-CB 3.1Å; M1263-Y1266 PolarHBondContact O-N 3.2Å; Y1266-G1268 VanDerWaalsContact C-N 3.27Å; Y1266-G1268 PolarHBondContact O-N 3.49Å; Y1266-Q1307 HydrophobicContact CE1-CB 4.38Å; Y1266-Q1307 WeakPolarHBondContact CE1-O 3.38Å; Y1266-Q1307 PolarHBondContact OH-O 2.9Å; Y1266-F1311 HydrophobicContact CE1-CD2 4.43Å; Y1266-F1311 HydrophobicContact CE1-CE2 4.18Å; Y1266-F1311 AromaticContact CZ-CE2 3.87Å |
| 1267 | L | 78 | Confident | 80.4 | Confident | 12 Ų | 12 | 37.7 Ų | 37.7 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 14 | 179.4 | -61.9 | 176.7 | 0 | 0 | 0 | 112.7 | F1259 G1265 F1273 L1304 V1308 | F1259-L1267 HydrophobicContact CB-CD1 3.68Å; F1259-L1267 HydrophobicContact CB-CG 4.18Å; F1259-L1267 HydrophobicContact CD2-CD1 4.15Å; F1259-L1267 HydrophobicContact CG-CD1 3.95Å; F1259-L1267 HydrophobicContact CG-CG 4.46Å; G1265-L1267 VanDerWaalsContact C-N 3.34Å; G1265-L1267 PolarHBondContact O-N 3.4Å; L1267-F1273 HydrophobicContact CB-CD2 3.83Å; L1267-F1273 HydrophobicContact CB-CE2 4.15Å; L1267-F1273 HydrophobicContact CD1-CD2 4.42Å; L1267-F1273 HydrophobicContact CD1-CE2 3.93Å; L1267-L1304 HydrophobicContact CD1-CD1 4.29Å; L1267-L1304 HydrophobicContact CD2-CD1 3.82Å; L1267-V1308 HydrophobicContact CD2-CG2 4.36Å |
| 1268 | G | 77.5 | Confident | 80.2 | Confident | 16 Ų | 16 | 38 Ų | 38 | 17% | 0.165 | 18% | 0.183 | C | C | . | . | trans | 75.5 | -177.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | W1256 G1265 Y1266 | W1256-G1268 PolarHBondContact NE1-O 3.32Å; G1265-G1268 PolarHBondContact O-N 3.24Å; G1265-G1268 VanDerWaalsContact O-N 3.09Å; Y1266-G1268 VanDerWaalsContact C-N 3.27Å; Y1266-G1268 PolarHBondContact O-N 3.49Å | ||
| 1269 | T | 78.5 | Confident | 79.7 | Confident | 53 Ų | 53 | 45.9 Ų | 45.9 | 33% | 0.325 | 21% | 0.213 | S | C | . | . | trans | -64.7 | 158.4 | 175.7 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | Q1271 Q1272 F1273 | T1269-Q1271 PolarHBondContact O-N 2.85Å; T1269-Q1271 VanDerWaalsContact O-N 3.15Å; T1269-Q1272 PolarHBondContact O-N 3.09Å; T1269-Q1272 VanDerWaalsContact O-N 3.08Å; T1269-Q1272 WeakPolarHBondContact OG1-CB 3.45Å; T1269-Q1272 VanDerWaalsContact OG1-CD 3.25Å; T1269-Q1272 VanDerWaalsContact OG1-CG 3.25Å; T1269-Q1272 WeakPolarHBondContact OG1-CG 3.36Å; T1269-Q1272 PolarHBondContact OG1-N 2.84Å; T1269-Q1272 PolarHBondContact OG1-OE1 3.29Å; T1269-Q1272 VanDerWaalsContact OG1-OE1 3.05Å; T1269-F1273 WeakPolarHBondContact O-CB 3.44Å; T1269-F1273 PolarHBondContact O-N 3.42Å | ||
| 1270 | Y | 77.2 | Confident | 79.3 | Confident | 84 Ų | 84 | 47.1 Ų | 47.1 | 33% | 0.329 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -51 | -41 | 177.3 | 179.8 | -94.9 | 0 | 0 | 0 | 113 | P1224 L1253 W1256 Q1274 | P1224-Y1270 HydrophobicContact CG-CE2 4.31Å; L1253-Y1270 HydrophobicContact CD1-CD2 4.03Å; L1253-Y1270 HydrophobicContact CD1-CE2 3.48Å; L1253-Y1270 VanDerWaalsContact CD1-CE2 3.48Å; L1253-Y1270 HydrophobicContact CD2-CE2 4.06Å; L1253-Y1270 HydrophobicContact CG-CE2 4.37Å; W1256-Y1270 HydrophobicContact CD2-CD2 4.35Å; W1256-Y1270 HydrophobicContact CE3-CD2 4.05Å; W1256-Y1270 HydrophobicContact CH2-CD2 4.31Å; W1256-Y1270 HydrophobicContact CZ3-CD2 4.03Å; Y1270-Q1274 VanDerWaalsContact O-CB 3.29Å; Y1270-Q1274 WeakPolarHBondContact O-CB 3.47Å; Y1270-Q1274 PolarHBondContact O-N 2.77Å |
| 1271 | Q | 77.3 | Confident | 78.9 | Confident | 142 Ų | 142 | 46 Ų | 46 | 66% | 0.664 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -70.1 | -42.4 | 179 | -67.4 | -176.5 | -6.1 | 0 | 0 | 112.4 | T1269 Q1274 Q1275 | T1269-Q1271 PolarHBondContact O-N 2.85Å; T1269-Q1271 VanDerWaalsContact O-N 3.15Å; Q1271-Q1274 PolarHBondContact O-N 3.08Å; Q1271-Q1275 WeakPolarHBondContact O-CG 3.3Å; Q1271-Q1275 PolarHBondContact O-N 2.86Å |
| 1272 | Q | 76.1 | Confident | 78.1 | Confident | 75 Ų | 75 | 50.2 Ų | 50.2 | 35% | 0.35 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.3 | -44.5 | 175.3 | -73.6 | 165.3 | -22.4 | 0 | 0 | 110.9 | T1269 Q1274 Q1275 R1276 | T1269-Q1272 PolarHBondContact O-N 3.09Å; T1269-Q1272 VanDerWaalsContact O-N 3.08Å; T1269-Q1272 WeakPolarHBondContact OG1-CB 3.45Å; T1269-Q1272 VanDerWaalsContact OG1-CD 3.25Å; T1269-Q1272 VanDerWaalsContact OG1-CG 3.25Å; T1269-Q1272 WeakPolarHBondContact OG1-CG 3.36Å; T1269-Q1272 PolarHBondContact OG1-N 2.84Å; T1269-Q1272 PolarHBondContact OG1-OE1 3.29Å; T1269-Q1272 VanDerWaalsContact OG1-OE1 3.05Å; Q1272-Q1274 VanDerWaalsContact C-N 3.3Å; Q1272-Q1274 PolarHBondContact O-N 3.22Å; Q1272-Q1275 PolarHBondContact O-N 2.82Å; Q1272-R1276 WeakPolarHBondContact O-CB 3.37Å; Q1272-R1276 PolarHBondContact O-N 2.83Å |
| 1273 | F | 82.4 | Confident | 77.6 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.9 | -42.2 | 175.5 | -174.3 | -95.9 | 0 | 0 | 0 | 111.6 | V1252 L1253 W1256 L1267 T1269 Q1275 Y1277 L1278 L1304 | V1252-F1273 HydrophobicContact CG1-CZ 4.14Å; L1253-F1273 HydrophobicContact CD1-CD1 4.32Å; L1253-F1273 HydrophobicContact CD1-CE1 4.38Å; W1256-F1273 HydrophobicContact CB-CD1 3.88Å; W1256-F1273 HydrophobicContact CB-CD2 4.36Å; W1256-F1273 HydrophobicContact CB-CE1 3.81Å; W1256-F1273 HydrophobicContact CB-CE2 4.29Å; W1256-F1273 HydrophobicContact CB-CG 4.16Å; W1256-F1273 HydrophobicContact CB-CZ 4.01Å; W1256-F1273 AromaticContact CD1-CD2 3.69Å; W1256-F1273 AromaticContact CD1-CG 3.48Å; W1256-F1273 VanDerWaalsContact CD1-CG 3.48Å; W1256-F1273 HydrophobicContact CG-CB 4.39Å; W1256-F1273 HydrophobicContact CG-CD1 4.07Å; W1256-F1273 HydrophobicContact CG-CD2 4.36Å; W1256-F1273 HydrophobicContact CG-CE1 4.48Å; W1256-F1273 HydrophobicContact CG-CG 4.01Å; L1267-F1273 HydrophobicContact CB-CD2 3.83Å; L1267-F1273 HydrophobicContact CB-CE2 4.15Å; L1267-F1273 HydrophobicContact CD1-CD2 4.42Å; L1267-F1273 HydrophobicContact CD1-CE2 3.93Å; T1269-F1273 WeakPolarHBondContact O-CB 3.44Å; T1269-F1273 PolarHBondContact O-N 3.42Å; F1273-Q1275 PolarHBondContact O-N 3.42Å; F1273-Y1277 AromaticContact CD2-CD2 3.42Å; F1273-Y1277 HydrophobicContact CD2-CD2 3.42Å; F1273-Y1277 VanDerWaalsContact CD2-CD2 3.42Å; F1273-Y1277 HydrophobicContact CD2-CE2 4.02Å; F1273-Y1277 HydrophobicContact CD2-CG 4.4Å; F1273-Y1277 AromaticContact CE2-CD2 3.54Å; F1273-Y1277 HydrophobicContact CE2-CD2 3.54Å; F1273-Y1277 HydrophobicContact CE2-CE2 4.21Å; F1273-Y1277 HydrophobicContact CE2-CG 4.21Å; F1273-Y1277 HydrophobicContact CG-CD2 4.2Å; F1273-Y1277 HydrophobicContact CZ-CD2 4.41Å; F1273-Y1277 PolarHBondContact O-N 3.2Å; F1273-L1278 PolarHBondContact O-N 3.39Å; F1273-L1304 HydrophobicContact CE2-CD1 3.83Å; F1273-L1304 HydrophobicContact CE2-CD2 4.31Å; F1273-L1304 HydrophobicContact CZ-CD1 4.43Å; F1273-L1304 HydrophobicContact CZ-CD2 4.14Å |
| 1274 | Q | 80.8 | Confident | 77 | Confident | 73 Ų | 73 | 54.6 Ų | 54.6 | 34% | 0.341 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -63.4 | -40.9 | 177.5 | -178.5 | 172.7 | -17 | 0 | 0 | 112.3 | Y1270 Q1271 Q1272 L1278 R1279 | Y1270-Q1274 VanDerWaalsContact O-CB 3.29Å; Y1270-Q1274 WeakPolarHBondContact O-CB 3.47Å; Y1270-Q1274 PolarHBondContact O-N 2.77Å; Q1271-Q1274 PolarHBondContact O-N 3.08Å; Q1272-Q1274 VanDerWaalsContact C-N 3.3Å; Q1272-Q1274 PolarHBondContact O-N 3.22Å; Q1274-L1278 HydrophobicContact CB-CB 4.48Å; Q1274-L1278 HydrophobicContact CG-CB 4.33Å; Q1274-L1278 HydrophobicContact CG-CD2 3.99Å; Q1274-L1278 WeakPolarHBondContact O-CB 3.46Å; Q1274-L1278 PolarHBondContact O-N 2.86Å; Q1274-R1279 WeakPolarHBondContact O-CB 3.32Å; Q1274-R1279 PolarHBondContact O-N 2.79Å |
| 1275 | Q | 79.5 | Confident | 76.4 | Confident | 124 Ų | 124 | 58.5 Ų | 58.5 | 58% | 0.579 | 27% | 0.269 | S | S | * | . | I | π-helix | trans | -75.6 | -42.7 | 178.6 | -70.3 | -177 | 4.6 | 0 | 0 | 112.7 | Q1271 Q1272 F1273 P1280 | Q1271-Q1275 WeakPolarHBondContact O-CG 3.3Å; Q1271-Q1275 PolarHBondContact O-N 2.86Å; Q1272-Q1275 PolarHBondContact O-N 2.82Å; F1273-Q1275 PolarHBondContact O-N 3.42Å; Q1275-P1280 VanDerWaalsContact O-CD 3.28Å; Q1275-P1280 WeakPolarHBondContact O-CD 3.47Å |
| 1276 | R | 77.6 | Confident | 75.8 | Confident | 126 Ų | 126 | 62.1 Ų | 62.1 | 48% | 0.475 | 29% | 0.285 | S | S | . | . | I | π-helix | trans | -75.7 | -39.3 | -174.4 | -172.5 | 171.6 | 177 | 157.3 | -0.6 | 113 | E1038 Q1272 | E1038-R1276 IonicContact OE1-NH2 3.26Å; E1038-R1276 PolarHBondContact OE1-NH2 2.89Å; E1038-R1276 VanDerWaalsContact OE1-NH2 3.15Å; Q1272-R1276 WeakPolarHBondContact O-CB 3.37Å; Q1272-R1276 PolarHBondContact O-N 2.83Å |
| 1277 | Y | 82.2 | Confident | 74.8 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 2% | 0.02 | 32% | 0.324 | C | S | . | . | I | π-helix | trans | -118 | -53.7 | -173.5 | -56.8 | -65.6 | 0 | 0 | 0 | 112.6 | F1273 R1279 P1280 I1281 A1300 T1303 L1304 Q1307 | F1273-Y1277 AromaticContact CD2-CD2 3.42Å; F1273-Y1277 HydrophobicContact CD2-CD2 3.42Å; F1273-Y1277 VanDerWaalsContact CD2-CD2 3.42Å; F1273-Y1277 HydrophobicContact CD2-CE2 4.02Å; F1273-Y1277 HydrophobicContact CD2-CG 4.4Å; F1273-Y1277 AromaticContact CE2-CD2 3.54Å; F1273-Y1277 HydrophobicContact CE2-CD2 3.54Å; F1273-Y1277 HydrophobicContact CE2-CE2 4.21Å; F1273-Y1277 HydrophobicContact CE2-CG 4.21Å; F1273-Y1277 HydrophobicContact CG-CD2 4.2Å; F1273-Y1277 HydrophobicContact CZ-CD2 4.41Å; F1273-Y1277 PolarHBondContact O-N 3.2Å; Y1277-R1279 PolarHBondContact O-N 3.36Å; Y1277-P1280 WeakPolarHBondContact O-CD 3.38Å; Y1277-I1281 WeakPolarHBondContact O-CB 3.24Å; Y1277-I1281 VanDerWaalsContact O-CD1 3.28Å; Y1277-I1281 WeakPolarHBondContact O-CD1 3.42Å; Y1277-I1281 WeakPolarHBondContact O-CG1 3.25Å; Y1277-I1281 PolarHBondContact O-N 2.94Å; Y1277-I1281 VanDerWaalsContact O-N 3.11Å; Y1277-A1300 HydrophobicContact CD1-CB 4.22Å; Y1277-A1300 WeakPolarHBondContact CD1-O 3.47Å; Y1277-T1303 HydrophobicContact CE1-CG2 4.29Å; Y1277-L1304 HydrophobicContact CD1-CB 3.85Å; Y1277-L1304 HydrophobicContact CD2-CD1 4.34Å; Y1277-L1304 HydrophobicContact CE1-CB 3.94Å; Y1277-L1304 HydrophobicContact CE2-CD1 4.28Å; Y1277-L1304 HydrophobicContact CG-CB 4.41Å; Y1277-L1304 HydrophobicContact CG-CD1 4.46Å; Y1277-L1304 HydrophobicContact CG-CD2 4.48Å; Y1277-Q1307 PolarHBondContact OH-NE2 3.37Å; Y1277-Q1307 PolarHBondContact OH-OE1 2.93Å |
| 1278 | L | 80.4 | Confident | 74 | Confident | 7 Ų | 7 | 76 Ų | 76 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | I | π-helix | trans | -66.7 | -42.6 | -169.1 | -160.3 | 74.9 | 0 | 0 | 0 | 113 | L1253 F1273 Q1274 R1282 | L1253-L1278 HydrophobicContact CB-CD1 4.33Å; F1273-L1278 PolarHBondContact O-N 3.39Å; Q1274-L1278 HydrophobicContact CB-CB 4.48Å; Q1274-L1278 HydrophobicContact CG-CB 4.33Å; Q1274-L1278 HydrophobicContact CG-CD2 3.99Å; Q1274-L1278 WeakPolarHBondContact O-CB 3.46Å; Q1274-L1278 PolarHBondContact O-N 2.86Å; L1278-R1282 VanDerWaalsContact CD2-CZ 3.44Å; L1278-R1282 VanDerWaalsContact O-CB 3.24Å; L1278-R1282 WeakPolarHBondContact O-CB 3.26Å; L1278-R1282 WeakPolarHBondContact O-CD 3.27Å; L1278-R1282 WeakPolarHBondContact O-CG 3.26Å; L1278-R1282 PolarHBondContact O-N 3.3Å |
| 1279 | R | 80 | Confident | 73 | Confident | 165 Ų | 165 | 77 Ų | 77 | 62% | 0.623 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -68.6 | -49.3 | -178.5 | -179 | -178.9 | -177 | 177.3 | 0.9 | 112 | Q1274 Y1277 I1281 R1282 L1283 | Q1274-R1279 WeakPolarHBondContact O-CB 3.32Å; Q1274-R1279 PolarHBondContact O-N 2.79Å; Y1277-R1279 PolarHBondContact O-N 3.36Å; R1279-I1281 PolarHBondContact O-N 3.07Å; R1279-R1282 PolarHBondContact O-N 3.29Å; R1279-L1283 HydrophobicContact CG-CD1 4.03Å; R1279-L1283 HydrophobicContact CG-CG 4.45Å; R1279-L1283 WeakPolarHBondContact O-CG 3.21Å; R1279-L1283 PolarHBondContact O-N 3.46Å |
| 1280 | P | 77.7 | Confident | 72.5 | Confident | 27 Ų | 27 | 78.3 Ų | 78.3 | 18% | 0.175 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 173.8 | -27 | 35.4 | 0 | 0 | 0 | 113.2 | Q1275 Y1277 R1282 L1283 S1284 A1300 | Q1275-P1280 VanDerWaalsContact O-CD 3.28Å; Q1275-P1280 WeakPolarHBondContact O-CD 3.47Å; Y1277-P1280 WeakPolarHBondContact O-CD 3.38Å; P1280-R1282 VanDerWaalsContact C-N 3.26Å; P1280-R1282 PolarHBondContact O-N 3.41Å; P1280-L1283 PolarHBondContact O-N 2.95Å; P1280-S1284 PolarHBondContact O-N 3.43Å; P1280-S1284 PolarHBondContact O-OG 2.99Å; P1280-A1300 HydrophobicContact CB-CB 4Å; P1280-A1300 HydrophobicContact CG-CB 4.48Å |
| 1281 | I | 76.4 | Confident | 72 | Confident | 14 Ų | 14 | 82.7 Ų | 82.7 | 7% | 0.072 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.9 | -29.9 | 178.6 | -64.6 | 166.9 | 0 | 0 | 0 | 111.5 | V1252 Y1277 R1279 S1284 R1285 A1300 L1301 | V1252-I1281 HydrophobicContact CG1-CD1 4.39Å; Y1277-I1281 WeakPolarHBondContact O-CB 3.24Å; Y1277-I1281 VanDerWaalsContact O-CD1 3.28Å; Y1277-I1281 WeakPolarHBondContact O-CD1 3.42Å; Y1277-I1281 WeakPolarHBondContact O-CG1 3.25Å; Y1277-I1281 PolarHBondContact O-N 2.94Å; Y1277-I1281 VanDerWaalsContact O-N 3.11Å; R1279-I1281 PolarHBondContact O-N 3.07Å; I1281-S1284 WeakPolarHBondContact CA-OG 3.18Å; I1281-S1284 PolarHBondContact O-OG 3.12Å; I1281-R1285 WeakPolarHBondContact O-CD 3.39Å; I1281-R1285 WeakPolarHBondContact O-CG 3.46Å; I1281-A1300 HydrophobicContact CD1-CB 4.48Å; I1281-A1300 HydrophobicContact CG1-CB 4.16Å; I1281-L1301 HydrophobicContact CD1-CB 4.31Å; I1281-L1301 HydrophobicContact CD1-CD1 4.17Å; I1281-L1301 HydrophobicContact CG1-CB 4.42Å |
| 1282 | R | 69.9 | Low | 71.6 | Confident | 90 Ų | 90 | 80 Ų | 80 | 34% | 0.34 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73.7 | -44.9 | 174.3 | -80 | 172.8 | 178.1 | -169.4 | -0 | 111.9 | L1278 R1279 P1280 S1284 R1285 | L1278-R1282 VanDerWaalsContact CD2-CZ 3.44Å; L1278-R1282 VanDerWaalsContact O-CB 3.24Å; L1278-R1282 WeakPolarHBondContact O-CB 3.26Å; L1278-R1282 WeakPolarHBondContact O-CD 3.27Å; L1278-R1282 WeakPolarHBondContact O-CG 3.26Å; L1278-R1282 PolarHBondContact O-N 3.3Å; R1279-R1282 PolarHBondContact O-N 3.29Å; P1280-R1282 VanDerWaalsContact C-N 3.26Å; P1280-R1282 PolarHBondContact O-N 3.41Å; R1282-S1284 VanDerWaalsContact C-N 3.33Å; R1282-S1284 PolarHBondContact O-N 2.65Å; R1282-R1285 WeakPolarHBondContact O-CB 3.47Å; R1282-R1285 PolarHBondContact O-N 2.82Å; R1282-R1285 VanDerWaalsContact O-N 3.1Å |
| 1283 | L | 71.9 | Confident | 71.3 | Confident | 67 Ų | 67 | 78.9 Ų | 78.9 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 179.9 | -71 | 170.6 | 0 | 0 | 0 | 111.3 | R1279 P1280 R1285 D1286 A1289 D1293 | R1279-L1283 HydrophobicContact CG-CD1 4.03Å; R1279-L1283 HydrophobicContact CG-CG 4.45Å; R1279-L1283 WeakPolarHBondContact O-CG 3.21Å; R1279-L1283 PolarHBondContact O-N 3.46Å; P1280-L1283 PolarHBondContact O-N 2.95Å; L1283-R1285 PolarHBondContact O-N 3.05Å; L1283-R1285 VanDerWaalsContact O-N 3.13Å; L1283-D1286 PolarHBondContact O-N 2.76Å; L1283-D1286 VanDerWaalsContact O-N 3.13Å; L1283-A1289 WeakPolarHBondContact O-CB 3.08Å; L1283-D1293 HydrophobicContact CB-CB 4.49Å |
| 1284 | S | 68 | Low | 70.6 | Confident | 25 Ų | 25 | 79.7 Ų | 79.7 | 18% | 0.175 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -14.6 | 175 | 66.6 | 0 | 0 | 0 | 0 | 114.1 | P1280 I1281 R1282 | P1280-S1284 PolarHBondContact O-N 3.43Å; P1280-S1284 PolarHBondContact O-OG 2.99Å; I1281-S1284 WeakPolarHBondContact CA-OG 3.18Å; I1281-S1284 PolarHBondContact O-OG 3.12Å; R1282-S1284 VanDerWaalsContact C-N 3.33Å; R1282-S1284 PolarHBondContact O-N 2.65Å |
| 1285 | R | 62.4 | Low | 69.9 | Low | 102 Ų | 102 | 77.7 Ų | 77.7 | 39% | 0.385 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -17.3 | 176.7 | -70 | 169.5 | 68.7 | 179.9 | 5.7 | 113.3 | I1281 R1282 L1283 | I1281-R1285 WeakPolarHBondContact O-CD 3.39Å; I1281-R1285 WeakPolarHBondContact O-CG 3.46Å; R1282-R1285 WeakPolarHBondContact O-CB 3.47Å; R1282-R1285 PolarHBondContact O-N 2.82Å; R1282-R1285 VanDerWaalsContact O-N 3.1Å; L1283-R1285 PolarHBondContact O-N 3.05Å; L1283-R1285 VanDerWaalsContact O-N 3.13Å |
| 1286 | D | 60.1 | Low | 69.4 | Low | 90 Ų | 90 | 73.9 Ų | 73.9 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -73.4 | 137.9 | -176.2 | -76.2 | -23.2 | 0 | 0 | 0 | 110 | L1283 K1288 A1289 | L1283-D1286 PolarHBondContact O-N 2.76Å; L1283-D1286 VanDerWaalsContact O-N 3.13Å; D1286-K1288 PolarHBondContact O-N 3.22Å; D1286-A1289 WeakPolarHBondContact O-CB 3.38Å; D1286-A1289 PolarHBondContact O-N 2.87Å |
| 1287 | S | 57.8 | Low | 69.1 | Low | 122 Ų | 122 | 68 Ų | 68 | 85% | 0.853 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -7.7 | -178.9 | 69.3 | 0 | 0 | 0 | 0 | 114 | ||
| 1288 | K | 60 | Low | 68.3 | Low | 187 Ų | 187 | 70.1 Ų | 70.1 | 81% | 0.813 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | 11.5 | 175.9 | -63.4 | -172.2 | 175.3 | -170.6 | 0 | 112.3 | D1286 T1290 | D1286-K1288 PolarHBondContact O-N 3.22Å; K1288-T1290 PolarHBondContact O-N 2.65Å |
| 1289 | A | 57.5 | Low | 67.7 | Low | 37 Ų | 37 | 73.7 Ų | 73.7 | 31% | 0.306 | 37% | 0.369 | S | S | . | . | trans | -60.5 | 129.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1283 D1286 D1293 | L1283-A1289 WeakPolarHBondContact O-CB 3.08Å; D1286-A1289 WeakPolarHBondContact O-CB 3.38Å; D1286-A1289 PolarHBondContact O-N 2.87Å; A1289-D1293 HydrophobicContact CB-CB 4.34Å | ||
| 1290 | T | 67.3 | Low | 67.5 | Low | 82 Ų | 82 | 66.3 Ų | 66.3 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | trans | -70 | 155.3 | 171.9 | -36.3 | 0 | 0 | 0 | 0 | 108.6 | K1288 T1292 D1293 A1294 | K1288-T1290 PolarHBondContact O-N 2.65Å; T1290-T1292 PolarHBondContact O-N 2.93Å; T1290-T1292 VanDerWaalsContact O-N 3.1Å; T1290-D1293 VanDerWaalsContact CB-OD2 3.25Å; T1290-D1293 WeakPolarHBondContact CB-OD2 3.32Å; T1290-D1293 PolarHBondContact N-OD2 3.38Å; T1290-D1293 VanDerWaalsContact N-OD2 3.09Å; T1290-D1293 WeakPolarHBondContact O-CB 3.44Å; T1290-D1293 PolarHBondContact O-N 2.76Å; T1290-D1293 PolarHBondContact OG1-OD2 3.08Å; T1290-A1294 PolarHBondContact O-N 2.75Å | ||
| 1291 | Y | 67.4 | Low | 67.2 | Low | 175 Ų | 175 | 65.8 Ų | 65.8 | 69% | 0.686 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -51.2 | -36.2 | 173.3 | 177.7 | -100 | 0 | 0 | 0 | 112.6 | D1293 A1294 E1295 | Y1291-D1293 PolarHBondContact O-N 3.46Å; Y1291-A1294 PolarHBondContact O-N 3.36Å; Y1291-E1295 WeakPolarHBondContact O-CB 3.43Å; Y1291-E1295 PolarHBondContact O-N 3.05Å |
| 1292 | T | 67.7 | Low | 66.8 | Low | 87 Ų | 87 | 66.5 Ų | 66.5 | 53% | 0.534 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.1 | -36.2 | 175.3 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | T1290 A1296 | T1290-T1292 PolarHBondContact O-N 2.93Å; T1290-T1292 VanDerWaalsContact O-N 3.1Å; T1292-A1296 WeakPolarHBondContact O-CB 3.49Å; T1292-A1296 PolarHBondContact O-N 3.02Å |
| 1293 | D | 70.5 | Confident | 66.9 | Low | 51 Ų | 51 | 64.1 Ų | 64.1 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -74.9 | -40.1 | -179.6 | -57.2 | -41.4 | 0 | 0 | 0 | 110.7 | L1283 A1289 T1290 Y1291 E1295 A1296 G1297 | L1283-D1293 HydrophobicContact CB-CB 4.49Å; A1289-D1293 HydrophobicContact CB-CB 4.34Å; T1290-D1293 VanDerWaalsContact CB-OD2 3.25Å; T1290-D1293 WeakPolarHBondContact CB-OD2 3.32Å; T1290-D1293 PolarHBondContact N-OD2 3.38Å; T1290-D1293 VanDerWaalsContact N-OD2 3.09Å; T1290-D1293 WeakPolarHBondContact O-CB 3.44Å; T1290-D1293 PolarHBondContact O-N 2.76Å; T1290-D1293 PolarHBondContact OG1-OD2 3.08Å; Y1291-D1293 PolarHBondContact O-N 3.46Å; D1293-E1295 VanDerWaalsContact C-N 3.34Å; D1293-E1295 PolarHBondContact O-N 2.89Å; D1293-A1296 PolarHBondContact O-N 3.01Å; D1293-G1297 PolarHBondContact O-N 3.04Å |
| 1294 | A | 67.4 | Low | 67.1 | Low | 18 Ų | 18 | 60.9 Ų | 60.9 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1290 Y1291 G1297 R1298 F1608 | T1290-A1294 PolarHBondContact O-N 2.75Å; Y1291-A1294 PolarHBondContact O-N 3.36Å; A1294-G1297 PolarHBondContact O-N 3.26Å; A1294-R1298 WeakPolarHBondContact O-CB 3.42Å; A1294-R1298 PolarHBondContact O-N 2.9Å; A1294-F1608 HydrophobicContact CB-CE2 4.36Å; A1294-F1608 HydrophobicContact CB-CZ 3.97Å |
| 1295 | E | 66.3 | Low | 67.3 | Low | 30 Ų | 30 | 60.8 Ų | 60.8 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 177.3 | 179.5 | 61.1 | -170.7 | 0 | 0 | 112.7 | Y1291 D1293 R1298 R1299 | Y1291-E1295 WeakPolarHBondContact O-CB 3.43Å; Y1291-E1295 PolarHBondContact O-N 3.05Å; D1293-E1295 VanDerWaalsContact C-N 3.34Å; D1293-E1295 PolarHBondContact O-N 2.89Å; E1295-R1298 PolarHBondContact O-N 2.72Å; E1295-R1298 IonicContact OE1-CZ 3.81Å; E1295-R1298 IonicContact OE1-NH2 2.75Å; E1295-R1298 PolarHBondContact OE1-NH2 2.78Å; E1295-R1298 IonicContact OE2-CZ 3.47Å; E1295-R1298 IonicContact OE2-NE 2.69Å; E1295-R1298 PolarHBondContact OE2-NE 3.23Å; E1295-R1298 IonicContact OE2-NH2 3.51Å; E1295-R1298 PolarHBondContact OE2-NH2 3.47Å; E1295-R1299 WeakPolarHBondContact O-CG 2.98Å; E1295-R1299 PolarHBondContact O-N 2.97Å; E1295-R1299 IonicContact OE1-CZ 2.95Å; E1295-R1299 VanDerWaalsContact OE1-CZ 3.26Å; E1295-R1299 IonicContact OE1-NE 2.94Å; E1295-R1299 PolarHBondContact OE1-NE 3.37Å; E1295-R1299 IonicContact OE1-NH2 3.56Å; E1295-R1299 PolarHBondContact OE1-NH2 3.39Å |
| 1296 | A | 70 | Confident | 67.6 | Low | 45 Ų | 45 | 60.2 Ų | 60.2 | 37% | 0.372 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1292 D1293 R1299 A1300 | T1292-A1296 WeakPolarHBondContact O-CB 3.49Å; T1292-A1296 PolarHBondContact O-N 3.02Å; D1293-A1296 PolarHBondContact O-N 3.01Å; A1296-R1299 PolarHBondContact O-N 3.41Å; A1296-A1300 WeakPolarHBondContact O-CB 2.99Å; A1296-A1300 PolarHBondContact O-N 3.02Å |
| 1297 | G | 70.7 | Confident | 68.3 | Low | 3 Ų | 3 | 56.2 Ų | 56.2 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1293 A1294 A1300 L1301 | D1293-G1297 PolarHBondContact O-N 3.04Å; A1294-G1297 PolarHBondContact O-N 3.26Å; G1297-A1300 PolarHBondContact O-N 3Å; G1297-L1301 WeakPolarHBondContact O-CB 3.48Å; G1297-L1301 PolarHBondContact O-N 3.48Å |
| 1298 | R | 65.8 | Low | 69.3 | Low | 49 Ų | 49 | 50.5 Ų | 50.5 | 19% | 0.185 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.4 | -50.3 | 175.5 | -175.6 | 172.9 | 72.8 | 102.4 | -10.3 | 111.8 | A1294 E1295 A1300 L1301 E1302 | A1294-R1298 WeakPolarHBondContact O-CB 3.42Å; A1294-R1298 PolarHBondContact O-N 2.9Å; E1295-R1298 PolarHBondContact O-N 2.72Å; E1295-R1298 IonicContact OE1-CZ 3.81Å; E1295-R1298 IonicContact OE1-NH2 2.75Å; E1295-R1298 PolarHBondContact OE1-NH2 2.78Å; E1295-R1298 IonicContact OE2-CZ 3.47Å; E1295-R1298 IonicContact OE2-NE 2.69Å; E1295-R1298 PolarHBondContact OE2-NE 3.23Å; E1295-R1298 IonicContact OE2-NH2 3.51Å; E1295-R1298 PolarHBondContact OE2-NH2 3.47Å; R1298-A1300 PolarHBondContact O-N 3.41Å; R1298-L1301 PolarHBondContact O-N 2.68Å; R1298-E1302 WeakPolarHBondContact CG-OE1 3.43Å; R1298-E1302 IonicContact CZ-OE1 3.26Å; R1298-E1302 IonicContact NH1-OE1 2.79Å; R1298-E1302 PolarHBondContact NH1-OE1 3.48Å; R1298-E1302 VanDerWaalsContact NH1-OE1 3.08Å; R1298-E1302 WeakPolarHBondContact O-CG 2.92Å; R1298-E1302 PolarHBondContact O-N 3.31Å |
| 1299 | R | 67.1 | Low | 70 | Confident | 81 Ų | 81 | 42.3 Ų | 42.3 | 31% | 0.306 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.5 | -41.4 | 178 | -70.5 | 176 | -169.3 | -165.5 | -2.7 | 112.7 | E1295 A1296 L1301 E1302 T1303 | E1295-R1299 WeakPolarHBondContact O-CG 2.98Å; E1295-R1299 PolarHBondContact O-N 2.97Å; E1295-R1299 IonicContact OE1-CZ 2.95Å; E1295-R1299 VanDerWaalsContact OE1-CZ 3.26Å; E1295-R1299 IonicContact OE1-NE 2.94Å; E1295-R1299 PolarHBondContact OE1-NE 3.37Å; E1295-R1299 IonicContact OE1-NH2 3.56Å; E1295-R1299 PolarHBondContact OE1-NH2 3.39Å; A1296-R1299 PolarHBondContact O-N 3.41Å; R1299-L1301 VanDerWaalsContact C-N 3.31Å; R1299-L1301 PolarHBondContact O-N 3.38Å; R1299-E1302 PolarHBondContact O-N 3.1Å; R1299-T1303 VanDerWaalsContact O-CB 3.3Å; R1299-T1303 WeakPolarHBondContact O-CB 3.24Å; R1299-T1303 PolarHBondContact O-N 3.41Å; R1299-T1303 PolarHBondContact O-OG1 2.85Å |
| 1300 | A | 75.6 | Confident | 70.8 | Confident | 10 Ų | 10 | 42 Ų | 42 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y1277 P1280 I1281 A1296 G1297 R1298 L1304 | Y1277-A1300 HydrophobicContact CD1-CB 4.22Å; Y1277-A1300 WeakPolarHBondContact CD1-O 3.47Å; P1280-A1300 HydrophobicContact CB-CB 4Å; P1280-A1300 HydrophobicContact CG-CB 4.48Å; I1281-A1300 HydrophobicContact CD1-CB 4.48Å; I1281-A1300 HydrophobicContact CG1-CB 4.16Å; A1296-A1300 WeakPolarHBondContact O-CB 2.99Å; A1296-A1300 PolarHBondContact O-N 3.02Å; G1297-A1300 PolarHBondContact O-N 3Å; R1298-A1300 PolarHBondContact O-N 3.41Å; A1300-L1304 WeakPolarHBondContact O-CB 3.07Å; A1300-L1304 PolarHBondContact O-N 2.85Å |
| 1301 | L | 71.9 | Confident | 71.5 | Confident | 17 Ų | 17 | 38 Ų | 38 | 9% | 0.089 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67 | -45.8 | 178 | -171.8 | 60.7 | 0 | 0 | 0 | 112.2 | I1281 G1297 R1298 R1299 T1303 L1304 H1305 V1590 V1591 | I1281-L1301 HydrophobicContact CD1-CB 4.31Å; I1281-L1301 HydrophobicContact CD1-CD1 4.17Å; I1281-L1301 HydrophobicContact CG1-CB 4.42Å; G1297-L1301 WeakPolarHBondContact O-CB 3.48Å; G1297-L1301 PolarHBondContact O-N 3.48Å; R1298-L1301 PolarHBondContact O-N 2.68Å; R1299-L1301 VanDerWaalsContact C-N 3.31Å; R1299-L1301 PolarHBondContact O-N 3.38Å; L1301-T1303 VanDerWaalsContact C-N 3.35Å; L1301-T1303 PolarHBondContact O-N 2.79Å; L1301-L1304 PolarHBondContact O-N 3.45Å; L1301-H1305 WeakPolarHBondContact O-CB 3.4Å; L1301-H1305 PolarHBondContact O-N 3.2Å; L1301-V1590 HydrophobicContact CD1-CG1 4.44Å; L1301-V1590 HydrophobicContact CD2-CG1 3.54Å; L1301-V1590 HydrophobicContact CG-CG1 4.16Å; L1301-V1591 HydrophobicContact CD1-CG2 3.79Å |
| 1302 | E | 67.6 | Low | 72.2 | Confident | 28 Ų | 28 | 30 Ų | 30 | 13% | 0.131 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.6 | -43.2 | 175.9 | -73.1 | 174.9 | -166.6 | 0 | 0 | 111.9 | R1298 R1299 H1305 K1306 T1604 | R1298-E1302 WeakPolarHBondContact CG-OE1 3.43Å; R1298-E1302 IonicContact CZ-OE1 3.26Å; R1298-E1302 IonicContact NH1-OE1 2.79Å; R1298-E1302 PolarHBondContact NH1-OE1 3.48Å; R1298-E1302 VanDerWaalsContact NH1-OE1 3.08Å; R1298-E1302 WeakPolarHBondContact O-CG 2.92Å; R1298-E1302 PolarHBondContact O-N 3.31Å; R1299-E1302 PolarHBondContact O-N 3.1Å; E1302-H1305 PolarHBondContact O-N 3.26Å; E1302-K1306 WeakPolarHBondContact O-CB 3.44Å; E1302-K1306 VanDerWaalsContact O-CG 3.24Å; E1302-K1306 WeakPolarHBondContact O-CG 2.98Å; E1302-K1306 PolarHBondContact O-N 2.97Å; E1302-T1604 VanDerWaalsContact CD-CG2 3.46Å; E1302-T1604 HydrophobicContact CG-CG2 3.78Å; E1302-T1604 WeakPolarHBondContact OE1-CB 3.3Å; E1302-T1604 WeakPolarHBondContact OE1-CG2 3.44Å |
| 1303 | T | 71.6 | Confident | 72.9 | Confident | 40 Ų | 40 | 26.4 Ų | 26.4 | 25% | 0.245 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.2 | -44.9 | 178.9 | -54.6 | 0 | 0 | 0 | 0 | 110.8 | Y1277 R1299 L1301 K1306 Q1307 | Y1277-T1303 HydrophobicContact CE1-CG2 4.29Å; R1299-T1303 VanDerWaalsContact O-CB 3.3Å; R1299-T1303 WeakPolarHBondContact O-CB 3.24Å; R1299-T1303 PolarHBondContact O-N 3.41Å; R1299-T1303 PolarHBondContact O-OG1 2.85Å; L1301-T1303 VanDerWaalsContact C-N 3.35Å; L1301-T1303 PolarHBondContact O-N 2.79Å; T1303-K1306 PolarHBondContact O-N 2.81Å; T1303-Q1307 WeakPolarHBondContact O-CG 3.27Å; T1303-Q1307 PolarHBondContact O-N 3.38Å; T1303-Q1307 VanDerWaalsContact O-N 3.11Å |
| 1304 | L | 76.9 | Confident | 73.6 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.2 | -45.6 | 177.8 | -179.4 | 62.5 | 0 | 0 | 0 | 111.6 | V1252 L1267 F1273 Y1277 A1300 L1301 K1306 Q1307 V1308 | V1252-L1304 HydrophobicContact CG1-CD2 3.17Å; L1267-L1304 HydrophobicContact CD1-CD1 4.29Å; L1267-L1304 HydrophobicContact CD2-CD1 3.82Å; F1273-L1304 HydrophobicContact CE2-CD1 3.83Å; F1273-L1304 HydrophobicContact CE2-CD2 4.31Å; F1273-L1304 HydrophobicContact CZ-CD1 4.43Å; F1273-L1304 HydrophobicContact CZ-CD2 4.14Å; Y1277-L1304 HydrophobicContact CD1-CB 3.85Å; Y1277-L1304 HydrophobicContact CD2-CD1 4.34Å; Y1277-L1304 HydrophobicContact CE1-CB 3.94Å; Y1277-L1304 HydrophobicContact CE2-CD1 4.28Å; Y1277-L1304 HydrophobicContact CG-CB 4.41Å; Y1277-L1304 HydrophobicContact CG-CD1 4.46Å; Y1277-L1304 HydrophobicContact CG-CD2 4.48Å; A1300-L1304 WeakPolarHBondContact O-CB 3.07Å; A1300-L1304 PolarHBondContact O-N 2.85Å; L1301-L1304 PolarHBondContact O-N 3.45Å; L1304-K1306 PolarHBondContact O-N 2.81Å; L1304-Q1307 PolarHBondContact O-N 3.11Å; L1304-V1308 HydrophobicContact CD1-CG2 4.1Å; L1304-V1308 WeakPolarHBondContact O-CB 3.47Å; L1304-V1308 WeakPolarHBondContact O-CG2 3.45Å; L1304-V1308 PolarHBondContact O-N 2.98Å; L1304-V1308 VanDerWaalsContact O-N 3.13Å |
| 1305 | H | 72.8 | Confident | 74.3 | Confident | 23 Ų | 23 | 25.9 Ų | 25.9 | 11% | 0.106 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.4 | -48.4 | 177.6 | -179.4 | 67.7 | 0 | 0 | 0 | 111.2 | L1301 E1302 Q1307 V1308 L1309 V1591 | L1301-H1305 WeakPolarHBondContact O-CB 3.4Å; L1301-H1305 PolarHBondContact O-N 3.2Å; E1302-H1305 PolarHBondContact O-N 3.26Å; H1305-Q1307 VanDerWaalsContact C-N 3.3Å; H1305-Q1307 PolarHBondContact O-N 2.78Å; H1305-V1308 PolarHBondContact O-N 3.48Å; H1305-V1308 VanDerWaalsContact O-N 3.13Å; H1305-L1309 WeakPolarHBondContact O-CB 3.44Å; H1305-L1309 PolarHBondContact O-N 3.32Å; H1305-V1591 PolarHBondContact ND1-O 3.38Å |
| 1306 | K | 68.7 | Low | 74.8 | Confident | 89 Ų | 89 | 26.1 Ų | 26.1 | 39% | 0.387 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -58.4 | -37.3 | 177.6 | -74.5 | 170.7 | -176.8 | 173.6 | 0 | 113.4 | E1302 T1303 L1304 | E1302-K1306 WeakPolarHBondContact O-CB 3.44Å; E1302-K1306 VanDerWaalsContact O-CG 3.24Å; E1302-K1306 WeakPolarHBondContact O-CG 2.98Å; E1302-K1306 PolarHBondContact O-N 2.97Å; T1303-K1306 PolarHBondContact O-N 2.81Å; L1304-K1306 PolarHBondContact O-N 2.81Å |
| 1307 | Q | 74.3 | Confident | 75.2 | Confident | 6 Ų | 6 | 24.5 Ų | 24.5 | 3% | 0.028 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -71.2 | -32.9 | 178.4 | -74.3 | 176.5 | -5.6 | 0 | 0 | 112.8 | Y1266 Y1277 T1303 L1304 H1305 | Y1266-Q1307 HydrophobicContact CE1-CB 4.38Å; Y1266-Q1307 WeakPolarHBondContact CE1-O 3.38Å; Y1266-Q1307 PolarHBondContact OH-O 2.9Å; Y1277-Q1307 PolarHBondContact OH-NE2 3.37Å; Y1277-Q1307 PolarHBondContact OH-OE1 2.93Å; T1303-Q1307 WeakPolarHBondContact O-CG 3.27Å; T1303-Q1307 PolarHBondContact O-N 3.38Å; T1303-Q1307 VanDerWaalsContact O-N 3.11Å; L1304-Q1307 PolarHBondContact O-N 3.11Å; H1305-Q1307 VanDerWaalsContact C-N 3.3Å; H1305-Q1307 PolarHBondContact O-N 2.78Å |
| 1308 | V | 78 | Confident | 75.3 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -89.5 | -33.4 | -172.1 | 161.8 | 0 | 0 | 0 | 0 | 112.4 | F1259 L1267 L1304 H1305 P1310 F1311 I1312 | F1259-V1308 HydrophobicContact CD2-CG2 4.17Å; F1259-V1308 HydrophobicContact CE1-CG2 4.49Å; F1259-V1308 HydrophobicContact CE2-CB 4.02Å; F1259-V1308 HydrophobicContact CE2-CG1 3.42Å; F1259-V1308 VanDerWaalsContact CE2-CG1 3.42Å; F1259-V1308 HydrophobicContact CE2-CG2 3.66Å; F1259-V1308 HydrophobicContact CZ-CB 3.94Å; F1259-V1308 HydrophobicContact CZ-CG1 3.55Å; F1259-V1308 HydrophobicContact CZ-CG2 3.85Å; L1267-V1308 HydrophobicContact CD2-CG2 4.36Å; L1304-V1308 HydrophobicContact CD1-CG2 4.1Å; L1304-V1308 WeakPolarHBondContact O-CB 3.47Å; L1304-V1308 WeakPolarHBondContact O-CG2 3.45Å; L1304-V1308 PolarHBondContact O-N 2.98Å; L1304-V1308 VanDerWaalsContact O-N 3.13Å; H1305-V1308 PolarHBondContact O-N 3.48Å; H1305-V1308 VanDerWaalsContact O-N 3.13Å; V1308-P1310 VanDerWaalsContact C-CD 3.44Å; V1308-F1311 PolarHBondContact O-N 3.4Å; V1308-F1311 VanDerWaalsContact O-N 3.12Å; V1308-I1312 HydrophobicContact CG1-CD1 3.21Å; V1308-I1312 HydrophobicContact CG1-CG1 3.79Å |
| 1309 | L | 74.5 | Confident | 75.6 | Confident | 15 Ų | 15 | 29.9 Ų | 29.9 | 8% | 0.079 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -51.7 | -43.5 | -171.9 | -168.8 | 63.1 | 0 | 0 | 0 | 115.3 | H1305 F1311 I1312 N1596 L1599 M1602 | H1305-L1309 WeakPolarHBondContact O-CB 3.44Å; H1305-L1309 PolarHBondContact O-N 3.32Å; L1309-F1311 PolarHBondContact O-N 3.36Å; L1309-I1312 PolarHBondContact O-N 2.91Å; L1309-I1312 VanDerWaalsContact O-N 3.16Å; L1309-N1596 WeakPolarHBondContact CD1-OD1 3.36Å; L1309-L1599 HydrophobicContact CD2-CD1 4.42Å; L1309-L1599 HydrophobicContact CD2-CD2 3.36Å; L1309-L1599 HydrophobicContact CD2-CG 4.08Å; L1309-L1599 HydrophobicContact CG-CD2 4.38Å; L1309-M1602 HydrophobicContact CD2-CE 4.01Å |
| 1310 | P | 74.2 | Confident | 76 | Confident | 30 Ų | 30 | 27.6 Ų | 27.6 | 20% | 0.195 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -60.9 | -21.3 | -178.8 | -24.9 | 36.2 | 0 | 0 | 0 | 114.8 | L1070 V1308 | L1070-P1310 HydrophobicContact CD1-CB 4.15Å; L1070-P1310 HydrophobicContact CD2-CB 4.17Å; L1070-P1310 HydrophobicContact CG-CB 4.01Å; V1308-P1310 VanDerWaalsContact C-CD 3.44Å |
| 1311 | F | 81.6 | Confident | 75.7 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -104.6 | -0.2 | -175.3 | -53 | -73 | 0 | 0 | 0 | 113 | L1108 H1109 G1110 I1111 F1259 M1263 Y1266 V1308 L1309 | L1108-F1311 HydrophobicContact CD1-CE1 4.44Å; L1108-F1311 HydrophobicContact CD2-CE1 4.39Å; H1109-F1311 WeakPolarHBondContact O-CD1 3.35Å; G1110-F1311 CarbonylContact C-O 3.49Å; G1110-F1311 VanDerWaalsContact CA-O 3.27Å; G1110-F1311 WeakPolarHBondContact CA-O 3.41Å; I1111-F1311 PolarHBondContact N-O 3.47Å; F1259-F1311 HydrophobicContact CE1-CB 4.04Å; F1259-F1311 HydrophobicContact CE1-CD2 4.03Å; F1259-F1311 HydrophobicContact CE1-CG 4.32Å; F1259-F1311 HydrophobicContact CZ-CB 4.15Å; M1263-F1311 HydrophobicContact CE-CD1 4.03Å; M1263-F1311 HydrophobicContact CE-CD2 3.75Å; M1263-F1311 HydrophobicContact CE-CE1 4.03Å; M1263-F1311 HydrophobicContact CE-CE2 3.75Å; M1263-F1311 HydrophobicContact CE-CG 3.88Å; M1263-F1311 HydrophobicContact CE-CZ 3.89Å; M1263-F1311 HydrophobicContact SD-CE1 4.17Å; M1263-F1311 HydrophobicContact SD-CZ 4.24Å; Y1266-F1311 HydrophobicContact CE1-CD2 4.43Å; Y1266-F1311 HydrophobicContact CE1-CE2 4.18Å; Y1266-F1311 AromaticContact CZ-CE2 3.87Å; V1308-F1311 PolarHBondContact O-N 3.4Å; V1308-F1311 VanDerWaalsContact O-N 3.12Å; L1309-F1311 PolarHBondContact O-N 3.36Å |
| 1312 | I | 83.4 | Confident | 75.6 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 118.3 | 178.8 | -56.3 | -168.5 | 0 | 0 | 0 | 110.3 | I1111 C1113 L1255 F1259 V1308 L1309 I1592 | I1111-I1312 HydrophobicContact CB-CG1 4.19Å; I1111-I1312 HydrophobicContact CD1-CD1 4.07Å; I1111-I1312 HydrophobicContact CD1-CG1 4.1Å; I1111-I1312 HydrophobicContact CG1-CG1 4.28Å; C1113-I1312 HydrophobicContact CB-CG2 4.01Å; L1255-I1312 HydrophobicContact CD2-CD1 4.33Å; F1259-I1312 HydrophobicContact CE2-CD1 4.21Å; F1259-I1312 HydrophobicContact CZ-CD1 4.47Å; F1259-I1312 HydrophobicContact CZ-CG1 4.31Å; V1308-I1312 HydrophobicContact CG1-CD1 3.21Å; V1308-I1312 HydrophobicContact CG1-CG1 3.79Å; L1309-I1312 PolarHBondContact O-N 2.91Å; L1309-I1312 VanDerWaalsContact O-N 3.16Å; I1312-I1592 HydrophobicContact CG2-CG2 3.87Å |
| 1313 | L | 83 | Confident | 75.8 | Confident | 12 Ų | 12 | 40.8 Ų | 40.8 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 108.3 | 169.2 | -176.3 | 64.5 | 0 | 0 | 0 | 109.7 | W1099 I1111 L1112 C1113 | W1099-L1313 HydrophobicContact CB-CD2 4.11Å; W1099-L1313 HydrophobicContact CD2-CB 3.89Å; W1099-L1313 HydrophobicContact CD2-CD2 3.8Å; W1099-L1313 HydrophobicContact CD2-CG 4.38Å; W1099-L1313 HydrophobicContact CE3-CB 3.71Å; W1099-L1313 HydrophobicContact CE3-CD2 3.63Å; W1099-L1313 HydrophobicContact CE3-CG 4.32Å; W1099-L1313 HydrophobicContact CG-CD2 4.03Å; W1099-L1313 HydrophobicContact CH2-CB 3.63Å; W1099-L1313 HydrophobicContact CZ2-CB 3.8Å; W1099-L1313 HydrophobicContact CZ3-CB 3.6Å; W1099-L1313 HydrophobicContact CZ3-CD2 4.29Å; I1111-L1313 PolarHBondContact O-N 3.27Å; L1112-L1313 HydrophobicContact CD1-CB 4.23Å; L1112-L1313 HydrophobicContact CD1-CD2 3.95Å; L1112-L1313 HydrophobicContact CD1-CG 4.27Å; C1113-L1313 WeakPolarHBondContact CA-O 3.37Å; C1113-L1313 PolarHBondContact N-O 3.4Å |
| 1314 | R | 83.4 | Confident | 76.1 | Confident | 37 Ų | 37 | 40.2 Ų | 40.2 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | trans | -119.6 | 130.4 | 176.5 | -177.4 | 168.8 | -171.8 | -151.4 | -0.6 | 110.4 | C1113 D1589 I1592 N1596 | C1113-R1314 HydrophobicContact CB-CB 3.74Å; C1113-R1314 HydrophobicContact CB-CG 4.07Å; C1113-R1314 WeakPolarHBondContact O-CG 3.44Å; R1314-D1589 IonicContact CZ-OD1 3.23Å; R1314-D1589 VanDerWaalsContact CZ-OD1 3.26Å; R1314-D1589 IonicContact NH1-OD1 2.78Å; R1314-D1589 PolarHBondContact NH1-OD1 3.45Å; R1314-D1589 IonicContact NH2-OD1 3.77Å; R1314-D1589 PolarHBondContact NH2-OD1 3.13Å; R1314-I1592 HydrophobicContact CB-CG2 4.09Å; R1314-I1592 VanDerWaalsContact CD-CG2 3.4Å; R1314-I1592 HydrophobicContact CG-CG2 4.39Å; R1314-N1596 PolarHBondContact N-ND2 3.44Å; R1314-N1596 PolarHBondContact O-ND2 2.94Å; R1314-N1596 VanDerWaalsContact O-ND2 3.16Å | ||
| 1315 | R | 82.2 | Confident | 76.2 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | trans | -137.1 | 138.3 | 175.7 | -64.1 | 171.2 | -69.6 | -163.8 | 4.7 | 110.3 | Y1092 D1114 E1115 L1118 V1320 | Y1092-R1315 PolarHBondContact O-NH1 3.09Å; Y1092-R1315 PolarHBondContact O-NH2 3.31Å; D1114-R1315 IonicContact OD1-CZ 2.77Å; D1114-R1315 IonicContact OD1-NE 3.98Å; D1114-R1315 PolarHBondContact OD1-NE 3.27Å; D1114-R1315 IonicContact OD1-NH2 3.66Å; D1114-R1315 PolarHBondContact OD1-NH2 2.84Å; D1114-R1315 IonicContact OD2-CZ 2.84Å; D1114-R1315 IonicContact OD2-NE 2.72Å; D1114-R1315 IonicContact OD2-NH2 3.38Å; D1114-R1315 PolarHBondContact OD2-NH2 3.47Å; E1115-R1315 PolarHBondContact N-O 3.47Å; L1118-R1315 HydrophobicContact CD1-CB 4.44Å; L1118-R1315 WeakPolarHBondContact CD1-O 3.5Å; R1315-V1320 HydrophobicContact CB-CG1 4.19Å | ||
| 1316 | K | 78.6 | Confident | 76.6 | Confident | 35 Ų | 35 | 44.3 Ų | 44.3 | 15% | 0.152 | 24% | 0.235 | C | C | . | . | trans | -94.4 | 152.7 | 177.6 | -62 | -175.7 | 177.6 | -169.2 | 0 | 111.5 | S1318 E1319 V1320 D1589 E1594 | K1316-S1318 PolarHBondContact O-N 3.34Å; K1316-E1319 HydrophobicContact CB-CG 4.15Å; K1316-E1319 WeakPolarHBondContact CB-OE1 3.17Å; K1316-E1319 WeakPolarHBondContact CG-OE1 3.45Å; K1316-E1319 PolarHBondContact N-OE2 3.1Å; K1316-E1319 VanDerWaalsContact N-OE2 3.09Å; K1316-E1319 WeakPolarHBondContact O-CB 3.45Å; K1316-E1319 PolarHBondContact O-N 2.86Å; K1316-V1320 WeakPolarHBondContact O-CG2 3.5Å; K1316-V1320 PolarHBondContact O-N 2.88Å; K1316-D1589 IonicContact NZ-OD2 3.87Å; K1316-E1594 IonicContact NZ-OE1 3.73Å; K1316-E1594 PolarHBondContact NZ-OE1 3.04Å | ||
| 1317 | K | 77.8 | Confident | 77.4 | Confident | 11 Ų | 11 | 43 Ų | 43 | 5% | 0.048 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.9 | -39.9 | 175.4 | -72.1 | 172.1 | -173.3 | 168.8 | 0 | 111.8 | E1115 M1116 L1118 E1319 V1320 C1321 L1324 D1551 H1554 | E1115-K1317 HydrophobicContact CB-CG 4.25Å; E1115-K1317 HydrophobicContact CG-CD 4.31Å; E1115-K1317 HydrophobicContact CG-CG 4.19Å; E1115-K1317 WeakPolarHBondContact OE2-CB 3.33Å; E1115-K1317 WeakPolarHBondContact OE2-CG 3.47Å; E1115-K1317 PolarHBondContact OE2-N 3.49Å; M1116-K1317 WeakPolarHBondContact O-CE 3.39Å; M1116-K1317 PolarHBondContact O-NZ 3.32Å; M1116-K1317 VanDerWaalsContact O-NZ 3.1Å; L1118-K1317 HydrophobicContact CD2-CG 4.01Å; L1118-K1317 HydrophobicContact CG-CG 4.27Å; K1317-E1319 PolarHBondContact O-N 3.36Å; K1317-V1320 PolarHBondContact O-N 2.84Å; K1317-C1321 WeakPolarHBondContact O-CB 3.27Å; K1317-C1321 PolarHBondContact O-N 2.66Å; K1317-L1324 HydrophobicContact CD-CD2 4.12Å; K1317-D1551 VanDerWaalsContact NZ-CG 3.28Å; K1317-D1551 IonicContact NZ-OD1 2.63Å; K1317-D1551 PolarHBondContact NZ-OD1 3.42Å; K1317-D1551 IonicContact NZ-OD2 3Å; K1317-H1554 PolarHBondContact NZ-O 2.85Å |
| 1318 | S | 72.2 | Confident | 78 | Confident | 104 Ų | 104 | 46.2 Ų | 46.2 | 73% | 0.727 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -58.7 | -27.2 | 177.1 | 47.3 | 0 | 0 | 0 | 0 | 113.2 | K1316 | K1316-S1318 PolarHBondContact O-N 3.34Å |
| 1319 | E | 73 | Confident | 78.4 | Confident | 62 Ų | 62 | 49.6 Ų | 49.6 | 29% | 0.29 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -88.5 | -23.1 | -177.3 | -64.4 | 160.2 | -159.5 | 0 | 0 | 113.7 | K1316 K1317 K1597 | K1316-E1319 HydrophobicContact CB-CG 4.15Å; K1316-E1319 WeakPolarHBondContact CB-OE1 3.17Å; K1316-E1319 WeakPolarHBondContact CG-OE1 3.45Å; K1316-E1319 PolarHBondContact N-OE2 3.1Å; K1316-E1319 VanDerWaalsContact N-OE2 3.09Å; K1316-E1319 WeakPolarHBondContact O-CB 3.45Å; K1316-E1319 PolarHBondContact O-N 2.86Å; K1317-E1319 PolarHBondContact O-N 3.36Å; E1319-K1597 PolarHBondContact O-NZ 3.43Å |
| 1320 | V | 75.1 | Confident | 79.1 | Confident | 32 Ų | 32 | 53 Ų | 53 | 19% | 0.194 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -128.6 | -22.6 | -167.3 | -55.7 | 0 | 0 | 0 | 0 | 115.1 | Y1092 L1118 R1315 K1316 K1317 | Y1092-V1320 HydrophobicContact CD1-CB 3.8Å; Y1092-V1320 HydrophobicContact CD1-CG2 4.06Å; Y1092-V1320 HydrophobicContact CD2-CB 4.49Å; Y1092-V1320 HydrophobicContact CD2-CG2 4.24Å; Y1092-V1320 HydrophobicContact CE1-CB 4.32Å; Y1092-V1320 HydrophobicContact CE1-CG2 4.16Å; Y1092-V1320 HydrophobicContact CE2-CG2 4.34Å; Y1092-V1320 HydrophobicContact CG-CB 3.91Å; Y1092-V1320 HydrophobicContact CG-CG1 4.31Å; Y1092-V1320 HydrophobicContact CG-CG2 4.12Å; L1118-V1320 HydrophobicContact CD1-CG2 3.92Å; L1118-V1320 HydrophobicContact CD2-CG2 3.5Å; L1118-V1320 VanDerWaalsContact CD2-CG2 3.5Å; L1118-V1320 HydrophobicContact CG-CG2 4.37Å; R1315-V1320 HydrophobicContact CB-CG1 4.19Å; K1316-V1320 WeakPolarHBondContact O-CG2 3.5Å; K1316-V1320 PolarHBondContact O-N 2.88Å; K1317-V1320 PolarHBondContact O-N 2.84Å |
| 1321 | C | 69.4 | Low | 79.8 | Confident | 12 Ų | 12 | 54 Ų | 54 | 8% | 0.081 | 28% | 0.283 | C | S | . | . | trans | -115.8 | 88.6 | -176.7 | -78.9 | 0 | 0 | 0 | 0 | 110.5 | R1090 L1118 K1317 D1323 | R1090-C1321 PolarHBondContact NH1-SG 2.87Å; R1090-C1321 VanDerWaalsContact NH1-SG 3.36Å; L1118-C1321 VanDerWaalsContact CD2-SG 3.54Å; K1317-C1321 WeakPolarHBondContact O-CB 3.27Å; K1317-C1321 PolarHBondContact O-N 2.66Å; C1321-D1323 VanDerWaalsContact C-N 3.3Å | ||
| 1322 | Q | 68.4 | Low | 80.2 | Confident | 189 Ų | 189 | 57.2 Ų | 57.2 | 88% | 0.883 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -21.9 | 175.2 | -63.3 | -178.1 | 6.1 | 0 | 0 | 112.9 | L1324 | Q1322-L1324 VanDerWaalsContact C-N 3.29Å; Q1322-L1324 PolarHBondContact O-N 3.18Å |
| 1323 | D | 72.9 | Confident | 80.4 | Confident | 131 Ų | 131 | 61.9 Ų | 61.9 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -14.2 | -176.4 | -48.6 | -32.2 | 0 | 0 | 0 | 114.2 | R1090 C1321 | R1090-D1323 IonicContact NH2-OD2 3.53Å; C1321-D1323 VanDerWaalsContact C-N 3.3Å |
| 1324 | L | 77.6 | Confident | 80.6 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 15% | 0.152 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -88.1 | 127.9 | -174.2 | -163.8 | 72.2 | 0 | 0 | 0 | 109.1 | K1317 Q1322 H1554 R1555 Q1558 | K1317-L1324 HydrophobicContact CD-CD2 4.12Å; Q1322-L1324 VanDerWaalsContact C-N 3.29Å; Q1322-L1324 PolarHBondContact O-N 3.18Å; L1324-H1554 WeakPolarHBondContact CD2-CE1 3.29Å; L1324-H1554 WeakPolarHBondContact CD2-NE2 3.36Å; L1324-R1555 WeakPolarHBondContact CD1-O 3.21Å; L1324-Q1558 HydrophobicContact CD1-CB 4.41Å |
| 1325 | P | 79 | Confident | 80.8 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 149 | 176.7 | 23.7 | -32.6 | 0 | 0 | 0 | 111 | H1554 Q1558 R1560 | P1325-H1554 PolarHBondContact O-NE2 3.04Å; P1325-Q1558 WeakPolarHBondContact CD-O 3.46Å; P1325-Q1558 HydrophobicContact CG-CG 4.13Å; P1325-R1560 VanDerWaalsContact CG-O 3.25Å; P1325-R1560 WeakPolarHBondContact CG-O 3.47Å |
| 1326 | P | 81.3 | Confident | 80.9 | Confident | 86 Ų | 86 | 65 Ų | 65 | 56% | 0.558 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -64 | 152 | -175.1 | 24.3 | -30.7 | 0 | 0 | 0 | 111.3 | T1561 L1562 | P1326-T1561 HydrophobicContact CG-CG2 4.19Å; P1326-T1561 VanDerWaalsContact O-CG2 3.28Å; P1326-T1561 WeakPolarHBondContact O-CG2 3.33Å; P1326-L1562 PolarHBondContact O-N 3.09Å |
| 1327 | K | 85 | Confident | 81.3 | Confident | 62 Ų | 62 | 63.9 Ų | 63.9 | 27% | 0.27 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.6 | 167.1 | 58.5 | -179.1 | 169.4 | -161.6 | 0 | 108.7 | E1115 M1550 D1551 L1562 | E1115-K1327 IonicContact OE1-NZ 3.83Å; E1115-K1327 PolarHBondContact OE1-NZ 3.28Å; K1327-M1550 HydrophobicContact CD-SD 4.28Å; K1327-D1551 IonicContact NZ-OD1 2.78Å; K1327-L1562 CarbonylContact C-O 3.54Å; K1327-L1562 WeakPolarHBondContact CA-O 3.2Å; K1327-L1562 HydrophobicContact CB-CB 4.38Å |
| 1328 | I | 86.6 | Confident | 81.6 | Confident | 73 Ų | 73 | 67.8 Ų | 67.8 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 115.3 | 178.9 | -57.8 | 175.3 | 0 | 0 | 0 | 107.2 | Q1330 T1561 L1562 V1564 | I1328-Q1330 HydrophobicContact CG2-CG 3.99Å; I1328-T1561 HydrophobicContact CD1-CG2 3.98Å; I1328-T1561 HydrophobicContact CG1-CG2 4.25Å; I1328-L1562 PolarHBondContact N-O 3.4Å; I1328-V1564 PolarHBondContact O-N 3.01Å |
| 1329 | I | 87.5 | Confident | 82.1 | Confident | 73 Ų | 73 | 63 Ų | 63 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 120.4 | 177.8 | -55.4 | 173.8 | 0 | 0 | 0 | 108.1 | M1550 V1564 R1566 | I1329-M1550 HydrophobicContact CD1-CE 4.3Å; I1329-M1550 HydrophobicContact CD1-SD 4.09Å; I1329-M1550 HydrophobicContact CG1-SD 4.29Å; I1329-V1564 CarbonylContact C-O 3.27Å; I1329-V1564 WeakPolarHBondContact CA-O 3.48Å; I1329-V1564 HydrophobicContact CG1-CB 4.21Å; I1329-R1566 HydrophobicContact CG2-CG 4.34Å |
| 1330 | Q | 89 | Confident | 82.7 | Confident | 87 Ų | 87 | 60 Ų | 60 | 41% | 0.407 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.3 | 179.5 | -66.4 | 179.3 | -5.5 | 0 | 0 | 109.8 | I1328 Y1332 V1564 Y1565 R1566 | I1328-Q1330 HydrophobicContact CG2-CG 3.99Å; Q1330-Y1332 PolarHBondContact O-N 3.34Å; Q1330-V1564 PolarHBondContact N-O 2.72Å; Q1330-Y1565 HydrophobicContact CB-CD1 4.16Å; Q1330-Y1565 HydrophobicContact CB-CE1 4.37Å; Q1330-Y1565 WeakPolarHBondContact O-CA 3.04Å; Q1330-R1566 PolarHBondContact O-N 3.14Å |
| 1331 | D | 89.5 | Confident | 83.2 | Confident | 51 Ų | 51 | 63.2 Ų | 63.2 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 111.2 | 172.4 | -73.6 | -7.5 | 0 | 0 | 0 | 107.9 | Y1333 R1566 I1568 R1582 | D1331-Y1333 HydrophobicContact CB-CE2 4.14Å; D1331-R1566 WeakPolarHBondContact OD1-CD 3.48Å; D1331-I1568 HydrophobicContact CB-CD1 3.83Å; D1331-R1582 IonicContact OD2-CZ 2.73Å; D1331-R1582 IonicContact OD2-NH2 3.49Å; D1331-R1582 PolarHBondContact OD2-NH2 3.49Å |
| 1332 | Y | 89 | Confident | 83.8 | Confident | 66 Ų | 66 | 63.7 Ų | 63.7 | 26% | 0.259 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 107.9 | -179.2 | -167.3 | -84.2 | 0 | 0 | 0 | 109.5 | Q1330 A1432 E1435 L1436 R1566 L1567 I1568 | Q1330-Y1332 PolarHBondContact O-N 3.34Å; Y1332-A1432 HydrophobicContact CD1-CB 3.92Å; Y1332-A1432 HydrophobicContact CE1-CB 3.47Å; Y1332-A1432 VanDerWaalsContact CE1-CB 3.47Å; Y1332-E1435 PolarHBondContact OH-OE2 2.96Å; Y1332-L1436 HydrophobicContact CD2-CD2 4Å; Y1332-L1436 HydrophobicContact CE2-CD2 4.04Å; Y1332-L1436 HydrophobicContact CG-CD1 4.43Å; Y1332-R1566 PolarHBondContact N-O 2.87Å; Y1332-L1567 HydrophobicContact CD1-CD2 3.69Å; Y1332-L1567 HydrophobicContact CG-CD2 4.15Å; Y1332-I1568 PolarHBondContact O-N 3.19Å |
| 1333 | Y | 88.6 | Confident | 84.5 | Confident | 103 Ų | 103 | 54.8 Ų | 54.8 | 40% | 0.404 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 124.3 | -175.4 | -70.8 | -83.7 | 0 | 0 | 0 | 111.9 | D1331 I1568 Q1570 | D1331-Y1333 HydrophobicContact CB-CE2 4.14Å; Y1333-I1568 CarbonylContact C-O 3.52Å; Y1333-I1568 VanDerWaalsContact CA-O 3.28Å; Y1333-I1568 WeakPolarHBondContact CA-O 3.45Å; Y1333-I1568 HydrophobicContact CD1-CB 4.19Å; Y1333-I1568 HydrophobicContact CD1-CG2 4.15Å; Y1333-I1568 HydrophobicContact CE1-CB 4.36Å; Y1333-I1568 HydrophobicContact CE1-CD1 4.47Å; Y1333-I1568 HydrophobicContact CE1-CG2 4.09Å; Y1333-Q1570 VanDerWaalsContact CB-NE2 3.28Å; Y1333-Q1570 HydrophobicContact CD1-CG 3.77Å; Y1333-Q1570 HydrophobicContact CG-CG 4.15Å |
| 1334 | C | 87.1 | Confident | 85 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.034 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 144.9 | 177.7 | -50.2 | 0 | 0 | 0 | 0 | 110.8 | K1429 A1432 I1568 T1569 Q1570 | C1334-K1429 HydrophobicContact CB-CG 4.45Å; C1334-A1432 WeakPolarHBondContact SG-CB 2.86Å; C1334-I1568 PolarHBondContact N-O 3.23Å; C1334-T1569 CarbonylContact O-C 3.54Å; C1334-T1569 WeakPolarHBondContact O-CA 3.28Å; C1334-Q1570 PolarHBondContact O-N 3.44Å |
| 1335 | T | 87.5 | Confident | 85.3 | Confident | 99 Ų | 99 | 53.7 Ų | 53.7 | 61% | 0.607 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -90.4 | 147.1 | 168.9 | 52.5 | 0 | 0 | 0 | 0 | 110.4 | G1428 | T1335-G1428 WeakPolarHBondContact O-CA 3.22Š|
| 1336 | L | 84.7 | Confident | 85.3 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 17% | 0.168 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 142.3 | 172.2 | -73.4 | 168.5 | 0 | 0 | 0 | 110 | Q1340 Q1341 T1569 T1572 | L1336-Q1340 HydrophobicContact CB-CB 4.14Å; L1336-Q1340 HydrophobicContact CD2-CB 3.75Å; L1336-Q1340 HydrophobicContact CD2-CG 4.47Å; L1336-Q1340 HydrophobicContact CG-CB 4.5Å; L1336-Q1341 HydrophobicContact CB-CB 4.38Å; L1336-T1569 HydrophobicContact CD2-CG2 3.58Å; L1336-T1569 HydrophobicContact CG-CG2 3.64Å; L1336-T1572 HydrophobicContact CD1-CG2 3.53Å; L1336-T1572 HydrophobicContact CD2-CG2 4.01Å; L1336-T1572 HydrophobicContact CG-CG2 3.78Å |
| 1337 | S | 85.8 | Confident | 85.2 | Confident | 11 Ų | 11 | 51.1 Ų | 51.1 | 8% | 0.077 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 155.3 | 168.1 | 78.5 | 0 | 0 | 0 | 0 | 110.6 | L1339 Q1340 Q1341 L1426 | S1337-L1339 PolarHBondContact O-N 3.5Å; S1337-L1339 VanDerWaalsContact O-N 3.15Å; S1337-Q1340 PolarHBondContact O-N 2.86Å; S1337-Q1340 WeakPolarHBondContact OG-CB 3.43Å; S1337-Q1340 VanDerWaalsContact OG-CG 3.3Å; S1337-Q1340 WeakPolarHBondContact OG-CG 3.36Å; S1337-Q1340 PolarHBondContact OG-N 3.42Å; S1337-Q1340 VanDerWaalsContact OG-N 3.09Å; S1337-Q1340 PolarHBondContact OG-OE1 3.42Å; S1337-Q1341 PolarHBondContact O-N 3.03Å; S1337-L1426 VanDerWaalsContact CB-O 3.32Å; S1337-L1426 WeakPolarHBondContact CB-O 3.14Å; S1337-L1426 PolarHBondContact OG-O 3.16Å |
| 1338 | P | 84 | Confident | 84.9 | Confident | 94 Ų | 94 | 49 Ų | 49 | 61% | 0.61 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -54.5 | -35.3 | 177.6 | -27.7 | 35.5 | 0 | 0 | 0 | 113.3 | A1342 F1413 | P1338-A1342 WeakPolarHBondContact O-CB 3.07Å; P1338-A1342 PolarHBondContact O-N 3.11Å; P1338-A1342 VanDerWaalsContact O-N 3.11Å; P1338-F1413 HydrophobicContact CB-CE1 4.01Å; P1338-F1413 HydrophobicContact CB-CZ 4.28Å |
| 1339 | L | 82.4 | Confident | 84.6 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.6 | -47.5 | 174.2 | 177 | 65.5 | 0 | 0 | 0 | 111.5 | S1337 Q1341 A1342 L1343 P1389 L1410 F1413 I1415 L1426 | S1337-L1339 PolarHBondContact O-N 3.5Å; S1337-L1339 VanDerWaalsContact O-N 3.15Å; L1339-Q1341 VanDerWaalsContact C-N 3.28Å; L1339-Q1341 PolarHBondContact O-N 2.99Å; L1339-A1342 PolarHBondContact O-N 2.9Å; L1339-L1343 HydrophobicContact CD1-CD1 4.05Å; L1339-L1343 HydrophobicContact CD1-CG 4.19Å; L1339-L1343 HydrophobicContact CG-CD1 3.97Å; L1339-L1343 HydrophobicContact CG-CG 4.48Å; L1339-L1343 WeakPolarHBondContact O-CB 2.87Å; L1339-L1343 WeakPolarHBondContact O-CG 3.33Å; L1339-L1343 PolarHBondContact O-N 2.83Å; L1339-P1389 HydrophobicContact CD2-CB 4.11Å; L1339-P1389 HydrophobicContact CD2-CG 4.1Å; L1339-P1389 HydrophobicContact CG-CG 4.5Å; L1339-L1410 HydrophobicContact CD1-CD2 4.34Å; L1339-F1413 HydrophobicContact CB-CD2 4.46Å; L1339-F1413 HydrophobicContact CB-CE2 4.45Å; L1339-F1413 HydrophobicContact CD1-CD2 3.53Å; L1339-F1413 HydrophobicContact CD1-CE2 3.9Å; L1339-F1413 HydrophobicContact CD1-CG 4.14Å; L1339-I1415 HydrophobicContact CD2-CD1 3.56Å; L1339-L1426 HydrophobicContact CD2-CD2 3.95Å |
| 1340 | Q | 86 | Confident | 84 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.2 | -42.1 | 177.4 | -75.4 | 175.9 | -54.6 | 0 | 0 | 111.2 | L1336 S1337 L1343 Y1344 L1385 C1386 P1389 S1427 G1428 | L1336-Q1340 HydrophobicContact CB-CB 4.14Å; L1336-Q1340 HydrophobicContact CD2-CB 3.75Å; L1336-Q1340 HydrophobicContact CD2-CG 4.47Å; L1336-Q1340 HydrophobicContact CG-CB 4.5Å; S1337-Q1340 PolarHBondContact O-N 2.86Å; S1337-Q1340 WeakPolarHBondContact OG-CB 3.43Å; S1337-Q1340 VanDerWaalsContact OG-CG 3.3Å; S1337-Q1340 WeakPolarHBondContact OG-CG 3.36Å; S1337-Q1340 PolarHBondContact OG-N 3.42Å; S1337-Q1340 VanDerWaalsContact OG-N 3.09Å; S1337-Q1340 PolarHBondContact OG-OE1 3.42Å; Q1340-L1343 PolarHBondContact O-N 3.42Å; Q1340-Y1344 WeakPolarHBondContact O-CB 3.49Å; Q1340-Y1344 PolarHBondContact O-N 3.25Å; Q1340-L1385 HydrophobicContact CG-CD1 4.39Å; Q1340-L1385 PolarHBondContact NE2-O 3.17Å; Q1340-C1386 PolarHBondContact NE2-O 2.83Å; Q1340-C1386 VanDerWaalsContact NE2-O 3.14Å; Q1340-P1389 HydrophobicContact CG-CG 3.59Å; Q1340-S1427 PolarHBondContact NE2-OG 3.2Å; Q1340-G1428 VanDerWaalsContact OE1-N 3.15Å |
| 1341 | Q | 85.4 | Confident | 83.1 | Confident | 99 Ų | 99 | 44.4 Ų | 44.4 | 46% | 0.463 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.2 | -48.2 | 177.6 | -174.2 | 179 | -9.2 | 0 | 0 | 111.6 | L1336 S1337 L1339 L1343 Y1344 E1345 | L1336-Q1341 HydrophobicContact CB-CB 4.38Å; S1337-Q1341 PolarHBondContact O-N 3.03Å; L1339-Q1341 VanDerWaalsContact C-N 3.28Å; L1339-Q1341 PolarHBondContact O-N 2.99Å; Q1341-L1343 VanDerWaalsContact C-N 3.34Å; Q1341-L1343 PolarHBondContact O-N 3.35Å; Q1341-Y1344 WeakPolarHBondContact O-CB 3.45Å; Q1341-Y1344 PolarHBondContact O-N 3.02Å; Q1341-E1345 PolarHBondContact NE2-OE1 3.05Å; Q1341-E1345 VanDerWaalsContact NE2-OE1 3.08Å; Q1341-E1345 WeakPolarHBondContact O-CG 3.42Å; Q1341-E1345 PolarHBondContact O-N 2.71Å |
| 1342 | A | 83.2 | Confident | 82.2 | Confident | 21 Ų | 21 | 47.5 Ų | 47.5 | 17% | 0.174 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1338 L1339 H1346 L1409 F1413 | P1338-A1342 WeakPolarHBondContact O-CB 3.07Å; P1338-A1342 PolarHBondContact O-N 3.11Å; P1338-A1342 VanDerWaalsContact O-N 3.11Å; L1339-A1342 PolarHBondContact O-N 2.9Å; A1342-H1346 WeakPolarHBondContact O-CB 3.41Å; A1342-H1346 PolarHBondContact O-N 3.21Å; A1342-L1409 HydrophobicContact CB-CD2 4.17Å; A1342-F1413 HydrophobicContact CB-CE2 4.15Å; A1342-F1413 HydrophobicContact CB-CZ 4.47Å |
| 1343 | L | 81.6 | Confident | 81.4 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.3 | -38.5 | 174.5 | -71.8 | 173.5 | 0 | 0 | 0 | 111.9 | L1339 Q1340 Q1341 H1346 I1347 L1385 P1389 V1393 I1406 L1409 | L1339-L1343 HydrophobicContact CD1-CD1 4.05Å; L1339-L1343 HydrophobicContact CD1-CG 4.19Å; L1339-L1343 HydrophobicContact CG-CD1 3.97Å; L1339-L1343 HydrophobicContact CG-CG 4.48Å; L1339-L1343 WeakPolarHBondContact O-CB 2.87Å; L1339-L1343 WeakPolarHBondContact O-CG 3.33Å; L1339-L1343 PolarHBondContact O-N 2.83Å; Q1340-L1343 PolarHBondContact O-N 3.42Å; Q1341-L1343 VanDerWaalsContact C-N 3.34Å; Q1341-L1343 PolarHBondContact O-N 3.35Å; L1343-H1346 PolarHBondContact O-N 2.93Å; L1343-I1347 WeakPolarHBondContact O-CB 3.47Å; L1343-I1347 WeakPolarHBondContact O-CG1 3.38Å; L1343-I1347 PolarHBondContact O-N 2.74Å; L1343-L1385 HydrophobicContact CB-CD1 3.87Å; L1343-L1385 HydrophobicContact CB-CD2 3.74Å; L1343-L1385 HydrophobicContact CB-CG 4.47Å; L1343-L1385 HydrophobicContact CD1-CD1 3.79Å; L1343-P1389 HydrophobicContact CD1-CB 4.05Å; L1343-V1393 HydrophobicContact CD1-CG2 4.23Å; L1343-I1406 HydrophobicContact CD2-CG2 4.17Å; L1343-L1409 HydrophobicContact CD2-CD1 4.37Å |
| 1344 | Y | 83.5 | Confident | 80.6 | Confident | 41 Ų | 41 | 49.9 Ų | 49.9 | 16% | 0.161 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.1 | -46.9 | 179.9 | -167.3 | -78.7 | 0 | 0 | 0 | 110.6 | Q1340 Q1341 T1348 L1382 L1385 L1573 | Q1340-Y1344 WeakPolarHBondContact O-CB 3.49Å; Q1340-Y1344 PolarHBondContact O-N 3.25Å; Q1341-Y1344 WeakPolarHBondContact O-CB 3.45Å; Q1341-Y1344 PolarHBondContact O-N 3.02Å; Y1344-T1348 HydrophobicContact CD1-CG2 4.01Å; Y1344-T1348 HydrophobicContact CE1-CG2 3.86Å; Y1344-T1348 WeakPolarHBondContact O-CB 3.44Å; Y1344-T1348 WeakPolarHBondContact O-CG2 3.41Å; Y1344-T1348 PolarHBondContact O-N 3.33Å; Y1344-T1348 PolarHBondContact O-OG1 2.79Å; Y1344-L1382 HydrophobicContact CD2-CD2 3.68Å; Y1344-L1382 HydrophobicContact CE2-CB 4.12Å; Y1344-L1382 HydrophobicContact CE2-CD1 4.29Å; Y1344-L1382 HydrophobicContact CE2-CD2 3.73Å; Y1344-L1382 HydrophobicContact CE2-CG 4.25Å; Y1344-L1382 HydrophobicContact CG-CD2 4.09Å; Y1344-L1385 HydrophobicContact CD2-CD2 4.23Å; Y1344-L1385 HydrophobicContact CG-CD2 4.5Å; Y1344-L1573 PolarHBondContact OH-N 3.11Å |
| 1345 | E | 84.8 | Confident | 79.5 | Confident | 96 Ų | 96 | 50.5 Ų | 50.5 | 45% | 0.449 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60 | -46.4 | 174.1 | -71.4 | 173.1 | -169.3 | 0 | 0 | 110.9 | Q1341 I1347 T1348 E1349 | Q1341-E1345 PolarHBondContact NE2-OE1 3.05Å; Q1341-E1345 VanDerWaalsContact NE2-OE1 3.08Å; Q1341-E1345 WeakPolarHBondContact O-CG 3.42Å; Q1341-E1345 PolarHBondContact O-N 2.71Å; E1345-I1347 PolarHBondContact O-N 3.42Å; E1345-T1348 PolarHBondContact O-N 3.4Å; E1345-T1348 PolarHBondContact O-OG1 3.13Å; E1345-E1349 WeakPolarHBondContact O-CB 3.34Å; E1345-E1349 WeakPolarHBondContact O-CG 3.37Å; E1345-E1349 PolarHBondContact O-N 3.42Å |
| 1346 | H | 79.9 | Confident | 78.6 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 18% | 0.181 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 179.7 | -172.8 | 72.5 | 0 | 0 | 0 | 113.5 | A1342 L1343 T1348 E1349 A1350 L1409 | A1342-H1346 WeakPolarHBondContact O-CB 3.41Å; A1342-H1346 PolarHBondContact O-N 3.21Å; L1343-H1346 PolarHBondContact O-N 2.93Å; H1346-T1348 VanDerWaalsContact C-N 3.32Å; H1346-T1348 PolarHBondContact O-N 3.28Å; H1346-E1349 PolarHBondContact O-N 3.31Å; H1346-A1350 VanDerWaalsContact O-CB 3.24Å; H1346-A1350 WeakPolarHBondContact O-CB 3.49Å; H1346-A1350 PolarHBondContact O-N 3.4Å; H1346-L1409 HydrophobicContact CB-CD1 3.69Å |
| 1347 | I | 78.1 | Confident | 77.6 | Confident | 16 Ų | 16 | 49.8 Ų | 49.8 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 179.3 | -70.4 | 170 | 0 | 0 | 0 | 110.3 | L1343 E1345 A1350 M1351 T1378 L1382 L1385 V1392 | L1343-I1347 WeakPolarHBondContact O-CB 3.47Å; L1343-I1347 WeakPolarHBondContact O-CG1 3.38Å; L1343-I1347 PolarHBondContact O-N 2.74Å; E1345-I1347 PolarHBondContact O-N 3.42Å; I1347-A1350 PolarHBondContact O-N 3.32Å; I1347-M1351 WeakPolarHBondContact O-CB 3.5Å; I1347-M1351 PolarHBondContact O-N 3.42Å; I1347-T1378 HydrophobicContact CG2-CG2 3.8Å; I1347-L1382 HydrophobicContact CB-CD2 4.17Å; I1347-L1382 HydrophobicContact CG2-CD2 3.79Å; I1347-L1382 HydrophobicContact CG2-CG 4.37Å; I1347-L1385 HydrophobicContact CD1-CD2 3.95Å; I1347-V1392 HydrophobicContact CD1-CG1 4.02Å |
| 1348 | T | 79.5 | Confident | 76.3 | Confident | 16 Ų | 16 | 51 Ų | 51 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.3 | -39.9 | -178.4 | 58 | 0 | 0 | 0 | 0 | 111.8 | Y1344 E1345 H1346 M1351 W1352 L1382 F1635 | Y1344-T1348 HydrophobicContact CD1-CG2 4.01Å; Y1344-T1348 HydrophobicContact CE1-CG2 3.86Å; Y1344-T1348 WeakPolarHBondContact O-CB 3.44Å; Y1344-T1348 WeakPolarHBondContact O-CG2 3.41Å; Y1344-T1348 PolarHBondContact O-N 3.33Å; Y1344-T1348 PolarHBondContact O-OG1 2.79Å; E1345-T1348 PolarHBondContact O-N 3.4Å; E1345-T1348 PolarHBondContact O-OG1 3.13Å; H1346-T1348 VanDerWaalsContact C-N 3.32Å; H1346-T1348 PolarHBondContact O-N 3.28Å; T1348-M1351 PolarHBondContact O-N 3.42Å; T1348-W1352 PolarHBondContact O-N 3.39Å; T1348-L1382 HydrophobicContact CG2-CD1 3.89Å; T1348-L1382 HydrophobicContact CG2-CD2 3.99Å; T1348-F1635 WeakPolarHBondContact O-CZ 3.41Å |
| 1349 | E | 79.6 | Confident | 74.8 | Confident | 100 Ų | 100 | 50.2 Ų | 50.2 | 47% | 0.467 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 171.7 | -74.1 | -175 | 179.8 | 0 | 0 | 113.1 | E1345 H1346 M1351 W1352 R1353 | E1345-E1349 WeakPolarHBondContact O-CB 3.34Å; E1345-E1349 WeakPolarHBondContact O-CG 3.37Å; E1345-E1349 PolarHBondContact O-N 3.42Å; H1346-E1349 PolarHBondContact O-N 3.31Å; E1349-M1351 VanDerWaalsContact C-N 3.3Å; E1349-M1351 PolarHBondContact O-N 2.96Å; E1349-W1352 PolarHBondContact O-N 3.49Å; E1349-R1353 WeakPolarHBondContact O-CG 3.38Å; E1349-R1353 PolarHBondContact O-N 3.21Å; E1349-R1353 IonicContact OE2-NH2 3.35Å; E1349-R1353 PolarHBondContact OE2-NH2 3.36Å |
| 1350 | A | 74.7 | Confident | 73.5 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 19% | 0.19 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | H1346 I1347 R1353 K1354 | H1346-A1350 VanDerWaalsContact O-CB 3.24Å; H1346-A1350 WeakPolarHBondContact O-CB 3.49Å; H1346-A1350 PolarHBondContact O-N 3.4Å; I1347-A1350 PolarHBondContact O-N 3.32Å; A1350-R1353 PolarHBondContact O-N 3.43Å; A1350-K1354 WeakPolarHBondContact O-CG 3.35Å; A1350-K1354 PolarHBondContact O-N 2.77Å |
| 1351 | M | 70.5 | Confident | 71.5 | Confident | 14 Ų | 14 | 61.4 Ų | 61.4 | 7% | 0.069 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59 | -50.2 | 172.4 | 179.9 | -167 | 174 | 0 | 0 | 110.9 | I1347 T1348 E1349 R1353 K1354 L1355 A1375 T1378 | I1347-M1351 WeakPolarHBondContact O-CB 3.5Å; I1347-M1351 PolarHBondContact O-N 3.42Å; T1348-M1351 PolarHBondContact O-N 3.42Å; E1349-M1351 VanDerWaalsContact C-N 3.3Å; E1349-M1351 PolarHBondContact O-N 2.96Å; M1351-R1353 VanDerWaalsContact C-N 3.3Å; M1351-R1353 PolarHBondContact O-N 3.34Å; M1351-K1354 CarbonylContact O-C 3.56Å; M1351-K1354 PolarHBondContact O-N 2.93Å; M1351-K1354 VanDerWaalsContact O-N 3.13Å; M1351-L1355 HydrophobicContact CE-CD1 3.7Å; M1351-L1355 HydrophobicContact CG-CD1 4.47Å; M1351-L1355 VanDerWaalsContact O-CB 3.31Å; M1351-L1355 WeakPolarHBondContact O-CB 3.14Å; M1351-L1355 PolarHBondContact O-N 3.39Å; M1351-A1375 VanDerWaalsContact CE-CA 3.48Å; M1351-A1375 HydrophobicContact CE-CB 3.49Å; M1351-A1375 VanDerWaalsContact CE-CB 3.49Å; M1351-T1378 HydrophobicContact CB-CG2 4.09Å; M1351-T1378 HydrophobicContact CG-CG2 4.12Å; M1351-T1378 WeakPolarHBondContact CG-OG1 3.42Å; M1351-T1378 WeakPolarHBondContact SD-CB 3.49Å; M1351-T1378 HydrophobicContact SD-CG2 3.38Å; M1351-T1378 WeakPolarHBondContact SD-CG2 3.42Å; M1351-T1378 PolarHBondContact SD-OG1 3.31Å |
| 1352 | W | 69.7 | Low | 69.4 | Low | 117 Ų | 117 | 61.8 Ų | 61.8 | 44% | 0.443 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.4 | -36.7 | -177 | -163.3 | 78.8 | 0 | 0 | 0 | 112.5 | T1348 E1349 L1355 N1356 F1635 | T1348-W1352 PolarHBondContact O-N 3.39Å; E1349-W1352 PolarHBondContact O-N 3.49Å; W1352-L1355 PolarHBondContact O-N 2.99Å; W1352-N1356 VanDerWaalsContact CD2-ND2 3.31Å; W1352-N1356 WeakPolarHBondContact CH2-ND2 3.47Å; W1352-N1356 VanDerWaalsContact CZ2-ND2 3.3Å; W1352-N1356 WeakPolarHBondContact CZ2-ND2 3.4Å; W1352-N1356 WeakPolarHBondContact CZ3-ND2 3.15Å; W1352-N1356 WeakPolarHBondContact O-CB 3.36Å; W1352-N1356 VanDerWaalsContact O-CG 3.26Å; W1352-N1356 PolarHBondContact O-N 2.67Å; W1352-F1635 HydrophobicContact CB-CE2 3.43Å; W1352-F1635 VanDerWaalsContact CB-CE2 3.43Å; W1352-F1635 HydrophobicContact CB-CZ 3.47Å; W1352-F1635 VanDerWaalsContact CB-CZ 3.47Å; W1352-F1635 AromaticContact CD1-CE2 3.53Å; W1352-F1635 HydrophobicContact CD2-CD2 4.49Å; W1352-F1635 AromaticContact CD2-CE2 3.71Å; W1352-F1635 HydrophobicContact CD2-CE2 3.71Å; W1352-F1635 HydrophobicContact CE3-CE2 4.36Å; W1352-F1635 HydrophobicContact CG-CD2 4.24Å; W1352-F1635 AromaticContact CG-CE2 3.27Å; W1352-F1635 HydrophobicContact CG-CE2 3.27Å; W1352-F1635 AromaticContact CG-CZ 3.87Å; W1352-F1635 HydrophobicContact CG-CZ 3.87Å |
| 1353 | R | 73.7 | Confident | 67.4 | Low | 129 Ų | 129 | 63.2 Ų | 63.2 | 49% | 0.487 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 171.1 | -74.4 | -177.3 | -113 | 113.4 | -0.7 | 111.8 | E1349 A1350 M1351 L1355 N1356 A1357 | E1349-R1353 WeakPolarHBondContact O-CG 3.38Å; E1349-R1353 PolarHBondContact O-N 3.21Å; E1349-R1353 IonicContact OE2-NH2 3.35Å; E1349-R1353 PolarHBondContact OE2-NH2 3.36Å; A1350-R1353 PolarHBondContact O-N 3.43Å; M1351-R1353 VanDerWaalsContact C-N 3.3Å; M1351-R1353 PolarHBondContact O-N 3.34Å; R1353-L1355 VanDerWaalsContact C-N 3.34Å; R1353-L1355 PolarHBondContact O-N 3.46Å; R1353-N1356 PolarHBondContact O-N 3.46Å; R1353-A1357 WeakPolarHBondContact O-CB 3.14Å; R1353-A1357 PolarHBondContact O-N 3.46Å |
| 1354 | K | 70.2 | Confident | 65.8 | Low | 89 Ų | 89 | 72.6 Ų | 72.6 | 39% | 0.387 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 176.7 | -72.7 | -178.2 | 177.4 | -171.2 | 0 | 112.3 | A1350 M1351 N1356 A1357 A1358 L1374 D1402 | A1350-K1354 WeakPolarHBondContact O-CG 3.35Å; A1350-K1354 PolarHBondContact O-N 2.77Å; M1351-K1354 CarbonylContact O-C 3.56Å; M1351-K1354 PolarHBondContact O-N 2.93Å; M1351-K1354 VanDerWaalsContact O-N 3.13Å; K1354-N1356 VanDerWaalsContact C-N 3.35Å; K1354-A1357 PolarHBondContact O-N 2.96Å; K1354-A1358 PolarHBondContact O-N 2.87Å; K1354-L1374 HydrophobicContact CB-CD2 3.61Å; K1354-L1374 HydrophobicContact CD-CD1 4.32Å; K1354-L1374 HydrophobicContact CD-CD2 4.48Å; K1354-D1402 WeakPolarHBondContact CE-OD2 3.33Å; K1354-D1402 IonicContact NZ-OD2 2.9Å; K1354-D1402 PolarHBondContact NZ-OD2 3.13Å |
| 1355 | L | 65.4 | Low | 63.9 | Low | 18 Ų | 18 | 79.1 Ų | 79.1 | 9% | 0.094 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -69.5 | -33.3 | -179.3 | -146.4 | 112.8 | 0 | 0 | 0 | 112.2 | M1351 W1352 R1353 T1359 R1371 | M1351-L1355 HydrophobicContact CE-CD1 3.7Å; M1351-L1355 HydrophobicContact CG-CD1 4.47Å; M1351-L1355 VanDerWaalsContact O-CB 3.31Å; M1351-L1355 WeakPolarHBondContact O-CB 3.14Å; M1351-L1355 PolarHBondContact O-N 3.39Å; W1352-L1355 PolarHBondContact O-N 2.99Å; R1353-L1355 VanDerWaalsContact C-N 3.34Å; R1353-L1355 PolarHBondContact O-N 3.46Å; L1355-T1359 PolarHBondContact O-OG1 2.77Å; L1355-R1371 HydrophobicContact CD1-CG 3.93Å; L1355-R1371 HydrophobicContact CD2-CG 4.28Å; L1355-R1371 VanDerWaalsContact CD2-NE 3.32Å; L1355-R1371 HydrophobicContact CG-CG 3.77Å |
| 1356 | N | 67.3 | Low | 61.9 | Low | 56 Ų | 56 | 78.5 Ų | 78.5 | 30% | 0.299 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -75.3 | -42.2 | 174.2 | -74.6 | -12.4 | 0 | 0 | 0 | 111.7 | W1352 R1353 K1354 A1358 T1359 | W1352-N1356 VanDerWaalsContact CD2-ND2 3.31Å; W1352-N1356 WeakPolarHBondContact CH2-ND2 3.47Å; W1352-N1356 VanDerWaalsContact CZ2-ND2 3.3Å; W1352-N1356 WeakPolarHBondContact CZ2-ND2 3.4Å; W1352-N1356 WeakPolarHBondContact CZ3-ND2 3.15Å; W1352-N1356 WeakPolarHBondContact O-CB 3.36Å; W1352-N1356 VanDerWaalsContact O-CG 3.26Å; W1352-N1356 PolarHBondContact O-N 2.67Å; R1353-N1356 PolarHBondContact O-N 3.46Å; K1354-N1356 VanDerWaalsContact C-N 3.35Å; N1356-A1358 VanDerWaalsContact C-N 3.28Å; N1356-A1358 PolarHBondContact O-N 3.02Å; N1356-T1359 WeakPolarHBondContact CA-OG1 3.5Å; N1356-T1359 WeakPolarHBondContact O-CB 3.42Å; N1356-T1359 PolarHBondContact O-N 3Å; N1356-T1359 PolarHBondContact O-OG1 2.97Å |
| 1357 | A | 65 | Low | 60.4 | Low | 61 Ų | 61 | 78.4 Ų | 78.4 | 50% | 0.504 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1353 K1354 T1359 T1360 | R1353-A1357 WeakPolarHBondContact O-CB 3.14Å; R1353-A1357 PolarHBondContact O-N 3.46Å; K1354-A1357 PolarHBondContact O-N 2.96Å; A1357-T1359 PolarHBondContact O-N 3.22Å; A1357-T1360 PolarHBondContact O-N 3.3Å; A1357-T1360 PolarHBondContact O-OG1 3.13Å |
| 1358 | A | 58.3 | Low | 59.2 | Low | 36 Ų | 36 | 78.8 Ų | 78.8 | 30% | 0.298 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -12.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K1354 N1356 | K1354-A1358 PolarHBondContact O-N 2.87Å; N1356-A1358 VanDerWaalsContact C-N 3.28Å; N1356-A1358 PolarHBondContact O-N 3.02Å |
| 1359 | T | 52.6 | Low | 58.1 | Low | 78 Ų | 78 | 83.8 Ų | 83.8 | 48% | 0.479 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -19.7 | -178.7 | -14.9 | 0 | 0 | 0 | 0 | 113.2 | L1355 N1356 A1357 | L1355-T1359 PolarHBondContact O-OG1 2.77Å; N1356-T1359 WeakPolarHBondContact CA-OG1 3.5Å; N1356-T1359 WeakPolarHBondContact O-CB 3.42Å; N1356-T1359 PolarHBondContact O-N 3Å; N1356-T1359 PolarHBondContact O-OG1 2.97Å; A1357-T1359 PolarHBondContact O-N 3.22Å |
| 1360 | T | 54.5 | Low | 57 | Low | 116 Ų | 116 | 82.1 Ų | 82.1 | 71% | 0.712 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -22 | -176.4 | 45.2 | 0 | 0 | 0 | 0 | 113.4 | A1357 A1362 | A1357-T1360 PolarHBondContact O-N 3.3Å; A1357-T1360 PolarHBondContact O-OG1 3.13Å; T1360-A1362 PolarHBondContact O-N 2.69Å |
| 1361 | D | 44.4 | Very low | 56.3 | Low | 122 Ų | 122 | 84.7 Ų | 84.7 | 65% | 0.652 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -85.2 | 115.9 | 179.5 | -70.4 | -19.4 | 0 | 0 | 0 | 110.9 | A1363 | D1361-A1363 PolarHBondContact O-N 2.9Š|
| 1362 | A | 42 | Very low | 55.6 | Low | 107 Ų | 107 | 88.6 Ų | 88.6 | 88% | 0.884 | 49% | 0.488 | S | S | * | . | trans | -71.4 | 39.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T1360 | T1360-A1362 PolarHBondContact O-N 2.69Š| ||
| 1363 | A | 40.9 | Very low | 55.4 | Low | 50 Ų | 50 | 85 Ų | 85 | 41% | 0.413 | 49% | 0.487 | S | S | . | . | trans | -110.8 | 95.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | D1361 E1365 S1367 | D1361-A1363 PolarHBondContact O-N 2.9Å; A1363-E1365 PolarHBondContact O-N 3.46Å; A1363-S1367 WeakPolarHBondContact O-CB 3.48Å; A1363-S1367 PolarHBondContact O-OG 3.49Å | ||
| 1364 | K | 47.5 | Very low | 55.1 | Low | 200 Ų | 200 | 80.5 Ų | 80.5 | 87% | 0.87 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -18.9 | -166.5 | -74.7 | -179 | 175.6 | 176.6 | 0 | 116 | ||
| 1365 | E | 43.7 | Very low | 54.9 | Low | 178 Ų | 178 | 76.7 Ų | 76.7 | 83% | 0.832 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -40.8 | -173.9 | -68.9 | -175 | 168.5 | 0 | 0 | 114 | A1363 | A1363-E1365 PolarHBondContact O-N 3.46Š|
| 1366 | S | 43.1 | Very low | 54.9 | Low | 83 Ų | 83 | 78.6 Ų | 78.6 | 58% | 0.58 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -76.6 | -30 | 178.2 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | G1368 I1369 | S1366-G1368 PolarHBondContact O-N 3.05Å; S1366-I1369 PolarHBondContact O-N 2.9Å |
| 1367 | S | 47.9 | Very low | 55.1 | Low | 38 Ų | 38 | 81.5 Ų | 81.5 | 27% | 0.266 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.4 | -29.9 | 176.9 | 60.6 | 0 | 0 | 0 | 0 | 112.7 | A1363 I1369 A1370 R1371 | A1363-S1367 WeakPolarHBondContact O-CB 3.48Å; A1363-S1367 PolarHBondContact O-OG 3.49Å; S1367-I1369 PolarHBondContact O-N 2.81Å; S1367-A1370 PolarHBondContact O-N 3.09Å; S1367-R1371 WeakPolarHBondContact O-CB 3.33Å; S1367-R1371 PolarHBondContact O-N 2.87Å |
| 1368 | G | 53.1 | Low | 55.5 | Low | 23 Ų | 23 | 78.7 Ų | 78.7 | 24% | 0.237 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | S1366 R1371 R1372 | S1366-G1368 PolarHBondContact O-N 3.05Å; G1368-R1371 PolarHBondContact O-N 2.9Å; G1368-R1372 WeakPolarHBondContact O-CB 3.34Å; G1368-R1372 VanDerWaalsContact O-CG 3.24Å; G1368-R1372 WeakPolarHBondContact O-CG 3Å; G1368-R1372 PolarHBondContact O-N 2.99Å |
| 1369 | I | 55.9 | Low | 56.4 | Low | 121 Ų | 121 | 77.7 Ų | 77.7 | 62% | 0.621 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -68.5 | -41.6 | -179.8 | -60.7 | 170.8 | 0 | 0 | 0 | 110.8 | S1366 S1367 R1372 G1373 | S1366-I1369 PolarHBondContact O-N 2.9Å; S1367-I1369 PolarHBondContact O-N 2.81Å; I1369-R1372 CarbonylContact O-C 3.52Å; I1369-R1372 WeakPolarHBondContact O-CA 3.39Å; I1369-R1372 WeakPolarHBondContact O-CB 3.49Å; I1369-R1372 PolarHBondContact O-N 3.33Å; I1369-R1372 VanDerWaalsContact O-N 3.11Å; I1369-G1373 PolarHBondContact O-N 3.39Å |
| 1370 | A | 57.1 | Low | 57.7 | Low | 65 Ų | 65 | 77.9 Ų | 77.9 | 54% | 0.537 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1367 R1372 G1373 L1374 | S1367-A1370 PolarHBondContact O-N 3.09Å; A1370-R1372 PolarHBondContact O-N 3.12Å; A1370-G1373 PolarHBondContact O-N 2.97Å; A1370-L1374 WeakPolarHBondContact O-CB 3.45Å; A1370-L1374 PolarHBondContact O-N 3.45Å; A1370-L1374 VanDerWaalsContact O-N 3.08Å |
| 1371 | R | 59.5 | Low | 58.7 | Low | 78 Ų | 78 | 75 Ų | 75 | 29% | 0.294 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.6 | -40 | 172.2 | -143.4 | 176 | -166.7 | -171.8 | 3.1 | 110.3 | L1355 S1367 G1368 A1375 W1646 | L1355-R1371 HydrophobicContact CD1-CG 3.93Å; L1355-R1371 HydrophobicContact CD2-CG 4.28Å; L1355-R1371 VanDerWaalsContact CD2-NE 3.32Å; L1355-R1371 HydrophobicContact CG-CG 3.77Å; S1367-R1371 WeakPolarHBondContact O-CB 3.33Å; S1367-R1371 PolarHBondContact O-N 2.87Å; G1368-R1371 PolarHBondContact O-N 2.9Å; R1371-A1375 PolarHBondContact O-N 2.84Å; R1371-W1646 WeakPolarHBondContact O-CH2 3.43Å |
| 1372 | R | 55.8 | Low | 60.6 | Low | 95 Ų | 95 | 69.7 Ų | 69.7 | 36% | 0.358 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.7 | -52.8 | 176.1 | -72.6 | 176.8 | -161.7 | 159.7 | 12.4 | 114.9 | G1368 I1369 A1370 L1374 A1375 L1376 W1646 E1650 | G1368-R1372 WeakPolarHBondContact O-CB 3.34Å; G1368-R1372 VanDerWaalsContact O-CG 3.24Å; G1368-R1372 WeakPolarHBondContact O-CG 3Å; G1368-R1372 PolarHBondContact O-N 2.99Å; I1369-R1372 CarbonylContact O-C 3.52Å; I1369-R1372 WeakPolarHBondContact O-CA 3.39Å; I1369-R1372 WeakPolarHBondContact O-CB 3.49Å; I1369-R1372 PolarHBondContact O-N 3.33Å; I1369-R1372 VanDerWaalsContact O-N 3.11Å; A1370-R1372 PolarHBondContact O-N 3.12Å; R1372-L1374 VanDerWaalsContact C-N 3.31Å; R1372-L1374 PolarHBondContact O-N 3.02Å; R1372-A1375 PolarHBondContact O-N 3.33Å; R1372-L1376 WeakPolarHBondContact O-CG 3.44Å; R1372-L1376 PolarHBondContact O-N 3.31Å; R1372-W1646 HydrophobicContact CB-CE3 4.32Å; R1372-W1646 HydrophobicContact CB-CH2 3.93Å; R1372-W1646 HydrophobicContact CB-CZ3 3.76Å; R1372-W1646 HydrophobicContact CG-CD2 4.08Å; R1372-W1646 HydrophobicContact CG-CE3 3.82Å; R1372-W1646 HydrophobicContact CG-CH2 3.58Å; R1372-W1646 HydrophobicContact CG-CZ2 3.74Å; R1372-W1646 HydrophobicContact CG-CZ3 3.59Å; R1372-W1646 WeakPolarHBondContact O-CZ3 3.34Å; R1372-E1650 IonicContact CZ-OE2 2.72Å; R1372-E1650 IonicContact NH1-OE1 3.65Å; R1372-E1650 IonicContact NH1-OE2 3.23Å; R1372-E1650 PolarHBondContact NH1-OE2 3.41Å |
| 1373 | G | 64.8 | Low | 62.6 | Low | 41 Ų | 41 | 65.6 Ų | 65.6 | 42% | 0.423 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.7 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1369 A1370 L1376 Q1377 | I1369-G1373 PolarHBondContact O-N 3.39Å; A1370-G1373 PolarHBondContact O-N 2.97Å; G1373-L1376 PolarHBondContact O-N 2.89Å; G1373-Q1377 PolarHBondContact O-N 3.45Å |
| 1374 | L | 67.6 | Low | 64.7 | Low | 36 Ų | 36 | 65.7 Ų | 65.7 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64 | -46.1 | -177.6 | -174.1 | 67.2 | 0 | 0 | 0 | 112.5 | K1354 A1370 R1372 L1376 Q1377 T1378 | K1354-L1374 HydrophobicContact CB-CD2 3.61Å; K1354-L1374 HydrophobicContact CD-CD1 4.32Å; K1354-L1374 HydrophobicContact CD-CD2 4.48Å; A1370-L1374 WeakPolarHBondContact O-CB 3.45Å; A1370-L1374 PolarHBondContact O-N 3.45Å; A1370-L1374 VanDerWaalsContact O-N 3.08Å; R1372-L1374 VanDerWaalsContact C-N 3.31Å; R1372-L1374 PolarHBondContact O-N 3.02Å; L1374-L1376 VanDerWaalsContact C-N 3.32Å; L1374-L1376 PolarHBondContact O-N 3.27Å; L1374-Q1377 PolarHBondContact O-N 3.16Å; L1374-T1378 PolarHBondContact O-N 3.22Å; L1374-T1378 PolarHBondContact O-OG1 3.39Å; L1374-T1378 VanDerWaalsContact O-OG1 3.05Å |
| 1375 | A | 67.7 | Low | 66.5 | Low | 8 Ų | 8 | 56.1 Ų | 56.1 | 7% | 0.066 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -35.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1351 R1371 R1372 T1378 V1379 W1646 | M1351-A1375 VanDerWaalsContact CE-CA 3.48Å; M1351-A1375 HydrophobicContact CE-CB 3.49Å; M1351-A1375 VanDerWaalsContact CE-CB 3.49Å; R1371-A1375 PolarHBondContact O-N 2.84Å; R1372-A1375 PolarHBondContact O-N 3.33Å; A1375-T1378 PolarHBondContact O-N 3.03Å; A1375-V1379 WeakPolarHBondContact O-CG2 3.49Å; A1375-V1379 PolarHBondContact O-N 3.33Å; A1375-W1646 HydrophobicContact CB-CH2 3.59Å; A1375-W1646 HydrophobicContact CB-CZ3 3.66Å |
| 1376 | L | 64.2 | Low | 68.4 | Low | 58 Ų | 58 | 47.7 Ų | 47.7 | 30% | 0.304 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 174.7 | -69.5 | 170.4 | 0 | 0 | 0 | 111.8 | R1372 G1373 L1374 T1378 V1379 H1380 Y1643 Y1651 | R1372-L1376 WeakPolarHBondContact O-CG 3.44Å; R1372-L1376 PolarHBondContact O-N 3.31Å; G1373-L1376 PolarHBondContact O-N 2.89Å; L1374-L1376 VanDerWaalsContact C-N 3.32Å; L1374-L1376 PolarHBondContact O-N 3.27Å; L1376-T1378 VanDerWaalsContact C-N 3.27Å; L1376-T1378 PolarHBondContact O-N 2.92Å; L1376-V1379 PolarHBondContact O-N 2.84Å; L1376-H1380 WeakPolarHBondContact O-CB 3.49Å; L1376-H1380 PolarHBondContact O-N 3.44Å; L1376-Y1643 HydrophobicContact CD2-CE2 4Å; L1376-Y1651 HydrophobicContact CD2-CD2 3.57Å; L1376-Y1651 HydrophobicContact CD2-CE2 3.39Å |
| 1377 | Q | 71.6 | Confident | 70.4 | Confident | 117 Ų | 117 | 43.7 Ų | 43.7 | 55% | 0.547 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.7 | -41 | 176 | -167.3 | -176.7 | 2.1 | 0 | 0 | 110.9 | G1373 L1374 H1380 M1381 | G1373-Q1377 PolarHBondContact O-N 3.45Å; L1374-Q1377 PolarHBondContact O-N 3.16Å; Q1377-H1380 PolarHBondContact O-N 3Å; Q1377-M1381 HydrophobicContact CG-CE 4.14Å; Q1377-M1381 WeakPolarHBondContact O-CG 3.43Å; Q1377-M1381 PolarHBondContact O-N 3.5Å |
| 1378 | T | 74.1 | Confident | 72.2 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.4 | -47.3 | 176.9 | -54.6 | 0 | 0 | 0 | 0 | 112.4 | I1347 M1351 L1374 A1375 L1376 H1380 M1381 L1382 | I1347-T1378 HydrophobicContact CG2-CG2 3.8Å; M1351-T1378 HydrophobicContact CB-CG2 4.09Å; M1351-T1378 HydrophobicContact CG-CG2 4.12Å; M1351-T1378 WeakPolarHBondContact CG-OG1 3.42Å; M1351-T1378 WeakPolarHBondContact SD-CB 3.49Å; M1351-T1378 HydrophobicContact SD-CG2 3.38Å; M1351-T1378 WeakPolarHBondContact SD-CG2 3.42Å; M1351-T1378 PolarHBondContact SD-OG1 3.31Å; L1374-T1378 PolarHBondContact O-N 3.22Å; L1374-T1378 PolarHBondContact O-OG1 3.39Å; L1374-T1378 VanDerWaalsContact O-OG1 3.05Å; A1375-T1378 PolarHBondContact O-N 3.03Å; L1376-T1378 VanDerWaalsContact C-N 3.27Å; L1376-T1378 PolarHBondContact O-N 2.92Å; T1378-H1380 PolarHBondContact O-N 3.09Å; T1378-M1381 PolarHBondContact O-N 2.69Å; T1378-M1381 VanDerWaalsContact O-N 3.11Å; T1378-L1382 HydrophobicContact CG2-CD1 3.99Å; T1378-L1382 HydrophobicContact CG2-CG 4.09Å; T1378-L1382 VanDerWaalsContact O-CG 3.31Å; T1378-L1382 WeakPolarHBondContact O-CG 3.45Å; T1378-L1382 PolarHBondContact O-N 3.03Å |
| 1379 | V | 77.6 | Confident | 73.6 | Confident | 15 Ų | 15 | 40.9 Ų | 40.9 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.5 | -42.3 | 176 | 164.3 | 0 | 0 | 0 | 0 | 110.9 | A1375 L1376 L1382 R1383 W1541 L1573 Y1643 | A1375-V1379 WeakPolarHBondContact O-CG2 3.49Å; A1375-V1379 PolarHBondContact O-N 3.33Å; L1376-V1379 PolarHBondContact O-N 2.84Å; V1379-L1382 PolarHBondContact O-N 3.01Å; V1379-R1383 WeakPolarHBondContact O-CG 3.41Å; V1379-R1383 PolarHBondContact O-N 3.08Å; V1379-W1541 HydrophobicContact CG1-CZ2 4.27Å; V1379-L1573 HydrophobicContact CG1-CD2 3.8Å; V1379-Y1643 HydrophobicContact CB-CE2 4.47Å; V1379-Y1643 HydrophobicContact CG2-CD2 4.16Å; V1379-Y1643 HydrophobicContact CG2-CE2 3.84Å |
| 1380 | H | 78.4 | Confident | 74.7 | Confident | 81 Ų | 81 | 37.2 Ų | 37.2 | 38% | 0.375 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64 | -42.5 | 176 | -170.9 | 68.9 | 0 | 0 | 0 | 112.8 | L1376 Q1377 T1378 K1384 F1466 | L1376-H1380 WeakPolarHBondContact O-CB 3.49Å; L1376-H1380 PolarHBondContact O-N 3.44Å; Q1377-H1380 PolarHBondContact O-N 3Å; T1378-H1380 PolarHBondContact O-N 3.09Å; H1380-K1384 WeakPolarHBondContact NE2-CE 3.45Å; H1380-K1384 WeakPolarHBondContact O-CG 3.43Å; H1380-K1384 PolarHBondContact O-N 2.93Å; H1380-K1384 VanDerWaalsContact O-N 3.15Å; H1380-F1466 AromaticContact CE1-CE1 3.41Å; H1380-F1466 VanDerWaalsContact CE1-CE1 3.41Å; H1380-F1466 WeakPolarHBondContact CE1-CE1 3.05Å; H1380-F1466 AromaticContact ND1-CE1 3.63Å |
| 1381 | M | 76.9 | Confident | 75.6 | Confident | 55 Ų | 55 | 35.7 Ų | 35.7 | 27% | 0.271 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 174.7 | -75.1 | -172.1 | -67.1 | 0 | 0 | 112.2 | Q1377 T1378 K1384 L1385 V1392 | Q1377-M1381 HydrophobicContact CG-CE 4.14Å; Q1377-M1381 WeakPolarHBondContact O-CG 3.43Å; Q1377-M1381 PolarHBondContact O-N 3.5Å; T1378-M1381 PolarHBondContact O-N 2.69Å; T1378-M1381 VanDerWaalsContact O-N 3.11Å; M1381-K1384 PolarHBondContact O-N 3.23Å; M1381-L1385 WeakPolarHBondContact O-CB 3.37Å; M1381-L1385 PolarHBondContact O-N 3.34Å; M1381-V1392 WeakPolarHBondContact O-CG2 3.41Å |
| 1382 | L | 83 | Confident | 76.3 | Confident | 12 Ų | 12 | 33.7 Ų | 33.7 | 6% | 0.063 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 178.7 | -67 | 176.6 | 0 | 0 | 0 | 111.6 | Y1344 I1347 T1348 T1378 V1379 K1384 L1385 C1386 | Y1344-L1382 HydrophobicContact CD2-CD2 3.68Å; Y1344-L1382 HydrophobicContact CE2-CB 4.12Å; Y1344-L1382 HydrophobicContact CE2-CD1 4.29Å; Y1344-L1382 HydrophobicContact CE2-CD2 3.73Å; Y1344-L1382 HydrophobicContact CE2-CG 4.25Å; Y1344-L1382 HydrophobicContact CG-CD2 4.09Å; I1347-L1382 HydrophobicContact CB-CD2 4.17Å; I1347-L1382 HydrophobicContact CG2-CD2 3.79Å; I1347-L1382 HydrophobicContact CG2-CG 4.37Å; T1348-L1382 HydrophobicContact CG2-CD1 3.89Å; T1348-L1382 HydrophobicContact CG2-CD2 3.99Å; T1378-L1382 HydrophobicContact CG2-CD1 3.99Å; T1378-L1382 HydrophobicContact CG2-CG 4.09Å; T1378-L1382 VanDerWaalsContact O-CG 3.31Å; T1378-L1382 WeakPolarHBondContact O-CG 3.45Å; T1378-L1382 PolarHBondContact O-N 3.03Å; V1379-L1382 PolarHBondContact O-N 3.01Å; L1382-K1384 PolarHBondContact O-N 3.47Å; L1382-L1385 PolarHBondContact O-N 3.13Å; L1382-C1386 PolarHBondContact O-N 3.05Å; L1382-C1386 PolarHBondContact O-SG 2.76Å |
| 1383 | R | 85.1 | Confident | 77 | Confident | 21 Ų | 21 | 29.6 Ų | 29.6 | 8% | 0.079 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 173.5 | -72.1 | 179.6 | 72.9 | -169.6 | 7.3 | 111.5 | V1379 L1385 C1386 S1387 F1466 H1539 L1573 | V1379-R1383 WeakPolarHBondContact O-CG 3.41Å; V1379-R1383 PolarHBondContact O-N 3.08Å; R1383-L1385 VanDerWaalsContact C-N 3.32Å; R1383-L1385 PolarHBondContact O-N 2.9Å; R1383-C1386 PolarHBondContact O-N 3.39Å; R1383-S1387 PolarHBondContact O-N 2.73Å; R1383-S1387 PolarHBondContact O-OG 3.41Å; R1383-F1466 HydrophobicContact CB-CE2 4Å; R1383-F1466 HydrophobicContact CB-CZ 4.01Å; R1383-H1539 PolarHBondContact NH2-O 3.06Å; R1383-L1573 HydrophobicContact CG-CD2 3.76Å |
| 1384 | K | 84.5 | Confident | 76.8 | Confident | 51 Ų | 51 | 32.6 Ų | 32.6 | 22% | 0.222 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.1 | -39.1 | 175.2 | -75.9 | -179.3 | 175.5 | -174.1 | 0 | 112.6 | H1380 M1381 L1382 S1387 H1388 L1391 V1392 F1466 | H1380-K1384 WeakPolarHBondContact NE2-CE 3.45Å; H1380-K1384 WeakPolarHBondContact O-CG 3.43Å; H1380-K1384 PolarHBondContact O-N 2.93Å; H1380-K1384 VanDerWaalsContact O-N 3.15Å; M1381-K1384 PolarHBondContact O-N 3.23Å; L1382-K1384 PolarHBondContact O-N 3.47Å; K1384-S1387 WeakPolarHBondContact O-CB 3.36Å; K1384-S1387 PolarHBondContact O-N 3.31Å; K1384-H1388 PolarHBondContact O-N 3.34Å; K1384-L1391 HydrophobicContact CB-CB 3.88Å; K1384-L1391 HydrophobicContact CD-CB 4.4Å; K1384-L1391 HydrophobicContact CG-CB 4.34Å; K1384-V1392 HydrophobicContact CB-CG2 3.85Å; K1384-F1466 HydrophobicContact CG-CE2 4.45Å |
| 1385 | L | 84.5 | Confident | 76.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.7 | -43 | 178.2 | 179.2 | 61.5 | 0 | 0 | 0 | 112.3 | Q1340 L1343 Y1344 I1347 M1381 L1382 R1383 S1387 H1388 P1389 V1392 | Q1340-L1385 HydrophobicContact CG-CD1 4.39Å; Q1340-L1385 PolarHBondContact NE2-O 3.17Å; L1343-L1385 HydrophobicContact CB-CD1 3.87Å; L1343-L1385 HydrophobicContact CB-CD2 3.74Å; L1343-L1385 HydrophobicContact CB-CG 4.47Å; L1343-L1385 HydrophobicContact CD1-CD1 3.79Å; Y1344-L1385 HydrophobicContact CD2-CD2 4.23Å; Y1344-L1385 HydrophobicContact CG-CD2 4.5Å; I1347-L1385 HydrophobicContact CD1-CD2 3.95Å; M1381-L1385 WeakPolarHBondContact O-CB 3.37Å; M1381-L1385 PolarHBondContact O-N 3.34Å; L1382-L1385 PolarHBondContact O-N 3.13Å; R1383-L1385 VanDerWaalsContact C-N 3.32Å; R1383-L1385 PolarHBondContact O-N 2.9Å; L1385-S1387 PolarHBondContact O-N 3.02Å; L1385-H1388 PolarHBondContact O-N 3.05Å; L1385-P1389 HydrophobicContact CD1-CB 4.4Å; L1385-P1389 HydrophobicContact CD1-CG 4.44Å; L1385-V1392 HydrophobicContact CB-CG2 4.01Å |
| 1386 | C | 84.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.2 | -38.3 | 174.4 | -69.7 | 0 | 0 | 0 | 0 | 111.3 | Q1340 L1382 R1383 E1574 | Q1340-C1386 PolarHBondContact NE2-O 2.83Å; Q1340-C1386 VanDerWaalsContact NE2-O 3.14Å; L1382-C1386 PolarHBondContact O-N 3.05Å; L1382-C1386 PolarHBondContact O-SG 2.76Å; R1383-C1386 PolarHBondContact O-N 3.39Å; C1386-E1574 HydrophobicContact CB-CG 4.45Å |
| 1387 | S | 85 | Confident | 74.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.6 | -58.8 | 171.9 | -52.9 | 0 | 0 | 0 | 0 | 111.9 | R1383 K1384 L1385 S1427 D1538 | R1383-S1387 PolarHBondContact O-N 2.73Å; R1383-S1387 PolarHBondContact O-OG 3.41Å; K1384-S1387 WeakPolarHBondContact O-CB 3.36Å; K1384-S1387 PolarHBondContact O-N 3.31Å; L1385-S1387 PolarHBondContact O-N 3.02Å; S1387-S1427 PolarHBondContact O-OG 3.02Å; S1387-D1538 PolarHBondContact OG-OD1 2.96Å; S1387-D1538 PolarHBondContact OG-OD2 3.43Å |
| 1388 | H | 85.1 | Confident | 72.7 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | trans | -164.7 | 139.4 | 178.3 | -158.4 | -87.9 | 0 | 0 | 0 | 113.2 | K1384 L1385 M1390 L1391 L1421 D1423 S1427 L1472 | K1384-H1388 PolarHBondContact O-N 3.34Å; L1385-H1388 PolarHBondContact O-N 3.05Å; H1388-M1390 VanDerWaalsContact C-N 3.3Å; H1388-M1390 VanDerWaalsContact ND1-CB 3.29Å; H1388-M1390 WeakPolarHBondContact ND1-CB 3.45Å; H1388-M1390 PolarHBondContact ND1-N 3.16Å; H1388-M1390 VanDerWaalsContact ND1-N 3.19Å; H1388-M1390 PolarHBondContact O-N 3.4Å; H1388-L1391 HydrophobicContact CB-CD1 4.32Å; H1388-L1391 HydrophobicContact CB-CG 4.31Å; H1388-L1391 PolarHBondContact O-N 3.32Å; H1388-L1391 VanDerWaalsContact O-N 3.15Å; H1388-L1421 PolarHBondContact CE1-O 3.41Å; H1388-L1421 VanDerWaalsContact CE1-O 3.24Å; H1388-D1423 PolarHBondContact NE2-O 3.48Å; H1388-S1427 WeakPolarHBondContact CD2-CB 3.45Å; H1388-L1472 HydrophobicContact CB-CD2 3.53Å; H1388-L1472 VanDerWaalsContact CG-CD2 3.46Å | ||
| 1389 | P | 82.4 | Confident | 71.2 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -53.5 | -38.5 | 176.2 | -28.9 | 35.7 | 0 | 0 | 0 | 115.5 | L1339 Q1340 L1343 L1385 L1391 V1392 V1393 L1421 L1426 | L1339-P1389 HydrophobicContact CD2-CB 4.11Å; L1339-P1389 HydrophobicContact CD2-CG 4.1Å; L1339-P1389 HydrophobicContact CG-CG 4.5Å; Q1340-P1389 HydrophobicContact CG-CG 3.59Å; L1343-P1389 HydrophobicContact CD1-CB 4.05Å; L1385-P1389 HydrophobicContact CD1-CB 4.4Å; L1385-P1389 HydrophobicContact CD1-CG 4.44Å; P1389-L1391 PolarHBondContact O-N 3.39Å; P1389-V1392 PolarHBondContact O-N 3.27Å; P1389-V1392 VanDerWaalsContact O-N 3.09Å; P1389-V1393 PolarHBondContact O-N 3.01Å; P1389-V1393 VanDerWaalsContact O-N 3.12Å; P1389-L1421 HydrophobicContact CB-CD2 4.41Å; P1389-L1426 HydrophobicContact CG-CB 4.41Å |
| 1390 | M | 78.8 | Confident | 69.4 | Low | 43 Ų | 43 | 57.1 Ų | 57.1 | 21% | 0.212 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -55 | -25.2 | 178.6 | -172.5 | 61 | -179.4 | 0 | 0 | 114.3 | H1388 V1392 N1418 L1421 | H1388-M1390 VanDerWaalsContact C-N 3.3Å; H1388-M1390 VanDerWaalsContact ND1-CB 3.29Å; H1388-M1390 WeakPolarHBondContact ND1-CB 3.45Å; H1388-M1390 PolarHBondContact ND1-N 3.16Å; H1388-M1390 VanDerWaalsContact ND1-N 3.19Å; H1388-M1390 PolarHBondContact O-N 3.4Å; M1390-V1392 VanDerWaalsContact C-N 3.27Å; M1390-V1392 PolarHBondContact O-N 3.01Å; M1390-N1418 HydrophobicContact CE-CB 4.06Å; M1390-L1421 HydrophobicContact CB-CD2 3.68Å; M1390-L1421 HydrophobicContact CG-CD2 4.24Å; M1390-L1421 HydrophobicContact SD-CB 4.04Å; M1390-L1421 HydrophobicContact SD-CD2 3.58Å; M1390-L1421 VanDerWaalsContact SD-CD2 3.58Å; M1390-L1421 HydrophobicContact SD-CG 4.34Å |
| 1391 | L | 77.5 | Confident | 68 | Low | 34 Ų | 34 | 60.6 Ų | 60.6 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -78.9 | -12.2 | -177.3 | -63.2 | 177.9 | 0 | 0 | 0 | 113.9 | K1384 H1388 P1389 V1469 | K1384-L1391 HydrophobicContact CB-CB 3.88Å; K1384-L1391 HydrophobicContact CD-CB 4.4Å; K1384-L1391 HydrophobicContact CG-CB 4.34Å; H1388-L1391 HydrophobicContact CB-CD1 4.32Å; H1388-L1391 HydrophobicContact CB-CG 4.31Å; H1388-L1391 PolarHBondContact O-N 3.32Å; H1388-L1391 VanDerWaalsContact O-N 3.15Å; P1389-L1391 PolarHBondContact O-N 3.39Å; L1391-V1469 HydrophobicContact CD1-CB 4.46Å; L1391-V1469 HydrophobicContact CD1-CG2 3.39Å |
| 1392 | V | 74.3 | Confident | 66.6 | Low | 36 Ų | 36 | 63.4 Ų | 63.4 | 22% | 0.218 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -34.3 | 179.6 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | I1347 M1381 K1384 L1385 P1389 M1390 N1394 | I1347-V1392 HydrophobicContact CD1-CG1 4.02Å; M1381-V1392 WeakPolarHBondContact O-CG2 3.41Å; K1384-V1392 HydrophobicContact CB-CG2 3.85Å; L1385-V1392 HydrophobicContact CB-CG2 4.01Å; P1389-V1392 PolarHBondContact O-N 3.27Å; P1389-V1392 VanDerWaalsContact O-N 3.09Å; M1390-V1392 VanDerWaalsContact C-N 3.27Å; M1390-V1392 PolarHBondContact O-N 3.01Å; V1392-N1394 PolarHBondContact O-N 3Å |
| 1393 | V | 69.2 | Low | 64.8 | Low | 8 Ų | 8 | 64.4 Ų | 64.4 | 5% | 0.048 | 34% | 0.34 | C | S | . | . | trans | -89.4 | 101.3 | -178.5 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | L1343 P1389 L1395 I1406 L1410 L1421 | L1343-V1393 HydrophobicContact CD1-CG2 4.23Å; P1389-V1393 PolarHBondContact O-N 3.01Å; P1389-V1393 VanDerWaalsContact O-N 3.12Å; V1393-L1395 HydrophobicContact CG1-CD2 4.13Å; V1393-L1395 HydrophobicContact CG1-CG 4.38Å; V1393-I1406 HydrophobicContact CG2-CG2 4.13Å; V1393-L1410 HydrophobicContact CG1-CD1 3.5Å; V1393-L1410 VanDerWaalsContact CG1-CD1 3.5Å; V1393-L1410 HydrophobicContact CG1-CD2 4.41Å; V1393-L1421 HydrophobicContact CB-CD1 4.49Å; V1393-L1421 HydrophobicContact CB-CD2 4.45Å; V1393-L1421 HydrophobicContact CG1-CD1 4.01Å | ||
| 1394 | N | 61.2 | Low | 63.4 | Low | 105 Ų | 105 | 65.7 Ų | 65.7 | 56% | 0.561 | 36% | 0.36 | S | S | * | . | trans | -93.8 | 106.4 | 163.5 | -98.4 | -13.6 | 0 | 0 | 0 | 109.3 | V1392 K1396 D1397 | V1392-N1394 PolarHBondContact O-N 3Å; N1394-K1396 PolarHBondContact O-N 2.98Å; N1394-K1396 VanDerWaalsContact O-N 3.14Å; N1394-D1397 WeakPolarHBondContact CB-OD2 3.26Å; N1394-D1397 PolarHBondContact ND2-OD2 3.36Å | ||
| 1395 | L | 52.5 | Low | 62.4 | Low | 53 Ų | 53 | 64.2 Ų | 64.2 | 28% | 0.277 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -12.7 | 174.4 | -68.4 | 179.5 | 0 | 0 | 0 | 113.5 | V1393 L1410 N1418 L1421 | V1393-L1395 HydrophobicContact CG1-CD2 4.13Å; V1393-L1395 HydrophobicContact CG1-CG 4.38Å; L1395-L1410 HydrophobicContact CD2-CD1 3.92Å; L1395-N1418 VanDerWaalsContact CD1-OD1 3.27Å; L1395-N1418 WeakPolarHBondContact CD1-OD1 3.48Å; L1395-N1418 WeakPolarHBondContact CG-OD1 3.41Å; L1395-L1421 HydrophobicContact CD1-CD1 4.37Å |
| 1396 | K | 46.9 | Very low | 61.5 | Low | 174 Ų | 174 | 66.4 Ų | 66.4 | 76% | 0.757 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -16.6 | -176.3 | -68.5 | -172.9 | 177.5 | -178.2 | 0 | 114.8 | N1394 N1398 | N1394-K1396 PolarHBondContact O-N 2.98Å; N1394-K1396 VanDerWaalsContact O-N 3.14Å; K1396-N1398 PolarHBondContact O-N 3.28Å |
| 1397 | D | 46.3 | Very low | 60.6 | Low | 107 Ų | 107 | 71.6 Ų | 71.6 | 57% | 0.572 | 39% | 0.393 | S | S | * | . | trans | -82.8 | 99.4 | 179.3 | -68.3 | -33.7 | 0 | 0 | 0 | 109.1 | N1394 D1399 | N1394-D1397 WeakPolarHBondContact CB-OD2 3.26Å; N1394-D1397 PolarHBondContact ND2-OD2 3.36Å; D1397-D1399 VanDerWaalsContact C-N 3.27Å; D1397-D1399 PolarHBondContact O-N 3.37Å | ||
| 1398 | N | 38.8 | Very low | 59.8 | Low | 117 Ų | 117 | 78.5 Ų | 78.5 | 63% | 0.626 | 43% | 0.425 | S | S | * | . | trans | -83.8 | 12.9 | 179.7 | -94.6 | -19.6 | 0 | 0 | 0 | 113.8 | K1396 | K1396-N1398 PolarHBondContact O-N 3.28Š| ||
| 1399 | D | 42.2 | Very low | 59.1 | Low | 152 Ų | 152 | 79.9 Ų | 79.9 | 81% | 0.813 | 43% | 0.432 | S | S | * | . | trans | -80.5 | 126 | -174.4 | -79.5 | -24.7 | 0 | 0 | 0 | 113.4 | D1397 N1401 | D1397-D1399 VanDerWaalsContact C-N 3.27Å; D1397-D1399 PolarHBondContact O-N 3.37Å; D1399-N1401 PolarHBondContact O-N 3.15Å | ||
| 1400 | D | 41.4 | Very low | 58.5 | Low | 149 Ų | 149 | 80.2 Ų | 80.2 | 80% | 0.797 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 17.7 | -146.4 | -100.5 | -34.8 | 0 | 0 | 0 | 117.9 | ||
| 1401 | N | 47.2 | Very low | 58 | Low | 154 Ų | 154 | 81.8 Ų | 81.8 | 82% | 0.824 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | -12.6 | -169 | -77.2 | -25.8 | 0 | 0 | 0 | 118.7 | D1399 | D1399-N1401 PolarHBondContact O-N 3.15Š|
| 1402 | D | 47.7 | Very low | 57.9 | Low | 114 Ų | 114 | 89.7 Ų | 89.7 | 61% | 0.61 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -144.7 | -5.1 | 178.1 | -90.2 | -40 | 0 | 0 | 0 | 114.7 | K1354 G1404 | K1354-D1402 WeakPolarHBondContact CE-OD2 3.33Å; K1354-D1402 IonicContact NZ-OD2 2.9Å; K1354-D1402 PolarHBondContact NZ-OD2 3.13Å; D1402-G1404 PolarHBondContact O-N 2.89Å |
| 1403 | G | 45.1 | Very low | 57.7 | Low | 33 Ų | 33 | 91.6 Ų | 91.6 | 34% | 0.34 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -4.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | G1405 I1406 K1407 | G1403-G1405 VanDerWaalsContact C-N 3.3Å; G1403-G1405 PolarHBondContact O-N 3.3Å; G1403-I1406 PolarHBondContact O-N 3.44Å; G1403-K1407 PolarHBondContact O-N 2.92Å |
| 1404 | G | 55.5 | Low | 57.7 | Low | 48 Ų | 48 | 98 Ų | 98 | 50% | 0.495 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.9 | -36.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1402 Q1408 | D1402-G1404 PolarHBondContact O-N 2.89Å; G1404-Q1408 WeakPolarHBondContact O-CG 3.49Å; G1404-Q1408 PolarHBondContact O-N 2.82Å; G1404-Q1408 VanDerWaalsContact O-N 3.16Å |
| 1405 | G | 63.6 | Low | 57.9 | Low | 19 Ų | 19 | 93.9 Ų | 93.9 | 20% | 0.196 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -69.8 | -39.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1403 Q1408 L1409 | G1403-G1405 VanDerWaalsContact C-N 3.3Å; G1403-G1405 PolarHBondContact O-N 3.3Å; G1405-Q1408 PolarHBondContact O-N 3.05Å; G1405-L1409 WeakPolarHBondContact O-CG 3.35Å; G1405-L1409 PolarHBondContact O-N 3.09Å |
| 1406 | I | 66.3 | Low | 58.2 | Low | 46 Ų | 46 | 95.6 Ų | 95.6 | 24% | 0.236 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -69.7 | -43 | 179.4 | -61.9 | 175.3 | 0 | 0 | 0 | 110.4 | L1343 V1393 G1403 Q1408 L1409 L1410 | L1343-I1406 HydrophobicContact CD2-CG2 4.17Å; V1393-I1406 HydrophobicContact CG2-CG2 4.13Å; G1403-I1406 PolarHBondContact O-N 3.44Å; I1406-Q1408 VanDerWaalsContact C-N 3.34Å; I1406-Q1408 PolarHBondContact O-N 3.05Å; I1406-L1409 PolarHBondContact O-N 3.32Å; I1406-L1410 HydrophobicContact CG2-CD1 3.92Å; I1406-L1410 HydrophobicContact CG2-CG 4.39Å; I1406-L1410 VanDerWaalsContact O-CG 3.31Å; I1406-L1410 WeakPolarHBondContact O-CG 3.48Å; I1406-L1410 PolarHBondContact O-N 3.44Å |
| 1407 | K | 66.3 | Low | 58.8 | Low | 110 Ų | 110 | 89.4 Ų | 89.4 | 48% | 0.478 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 175.9 | -75.2 | -177.1 | 177.4 | 176.3 | 0 | 112 | G1403 L1410 S1411 | G1403-K1407 PolarHBondContact O-N 2.92Å; K1407-L1410 PolarHBondContact O-N 2.77Å; K1407-S1411 PolarHBondContact O-N 2.76Å; K1407-S1411 PolarHBondContact O-OG 2.93Å |
| 1408 | Q | 67.1 | Low | 59.5 | Low | 145 Ų | 145 | 86.6 Ų | 86.6 | 68% | 0.678 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.3 | -35.4 | 174.9 | -78.3 | 179.7 | -1.5 | 0 | 0 | 113.3 | G1404 G1405 I1406 S1411 R1412 | G1404-Q1408 WeakPolarHBondContact O-CG 3.49Å; G1404-Q1408 PolarHBondContact O-N 2.82Å; G1404-Q1408 VanDerWaalsContact O-N 3.16Å; G1405-Q1408 PolarHBondContact O-N 3.05Å; I1406-Q1408 VanDerWaalsContact C-N 3.34Å; I1406-Q1408 PolarHBondContact O-N 3.05Å; Q1408-S1411 PolarHBondContact O-OG 3.21Å; Q1408-R1412 PolarHBondContact O-N 3.3Å |
| 1409 | L | 70.3 | Confident | 60.6 | Low | 31 Ų | 31 | 89.3 Ų | 89.3 | 16% | 0.162 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -68.7 | -44 | 175 | -75.5 | 170.5 | 0 | 0 | 0 | 111.2 | A1342 L1343 H1346 G1405 I1406 S1411 R1412 F1413 | A1342-L1409 HydrophobicContact CB-CD2 4.17Å; L1343-L1409 HydrophobicContact CD2-CD1 4.37Å; H1346-L1409 HydrophobicContact CB-CD1 3.69Å; G1405-L1409 WeakPolarHBondContact O-CG 3.35Å; G1405-L1409 PolarHBondContact O-N 3.09Å; I1406-L1409 PolarHBondContact O-N 3.32Å; L1409-S1411 PolarHBondContact O-N 3.1Å; L1409-R1412 WeakPolarHBondContact O-CB 3.3Å; L1409-R1412 PolarHBondContact O-N 3.37Å; L1409-F1413 VanDerWaalsContact O-CD2 3.26Å; L1409-F1413 WeakPolarHBondContact O-CD2 3.34Å; L1409-F1413 PolarHBondContact O-N 3.04Å |
| 1410 | L | 71 | Confident | 61.5 | Low | 6 Ų | 6 | 86.6 Ų | 86.6 | 3% | 0.031 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 178.7 | -68.1 | 165.9 | 0 | 0 | 0 | 112.4 | L1339 V1393 L1395 I1406 K1407 R1412 F1413 N1414 I1415 L1421 | L1339-L1410 HydrophobicContact CD1-CD2 4.34Å; V1393-L1410 HydrophobicContact CG1-CD1 3.5Å; V1393-L1410 VanDerWaalsContact CG1-CD1 3.5Å; V1393-L1410 HydrophobicContact CG1-CD2 4.41Å; L1395-L1410 HydrophobicContact CD2-CD1 3.92Å; I1406-L1410 HydrophobicContact CG2-CD1 3.92Å; I1406-L1410 HydrophobicContact CG2-CG 4.39Å; I1406-L1410 VanDerWaalsContact O-CG 3.31Å; I1406-L1410 WeakPolarHBondContact O-CG 3.48Å; I1406-L1410 PolarHBondContact O-N 3.44Å; K1407-L1410 PolarHBondContact O-N 2.77Å; L1410-R1412 VanDerWaalsContact C-N 3.29Å; L1410-R1412 PolarHBondContact O-N 2.58Å; L1410-F1413 CarbonylContact O-C 3.59Å; L1410-F1413 PolarHBondContact O-N 2.81Å; L1410-F1413 VanDerWaalsContact O-N 3.14Å; L1410-N1414 PolarHBondContact O-N 3.26Å; L1410-I1415 HydrophobicContact CD2-CD1 4.41Å; L1410-I1415 PolarHBondContact O-N 3.1Å; L1410-I1415 VanDerWaalsContact O-N 3.16Å; L1410-L1421 HydrophobicContact CD2-CD1 4.1Å |
| 1411 | S | 68.7 | Low | 62.6 | Low | 76 Ų | 76 | 79.5 Ų | 79.5 | 53% | 0.531 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.1 | -32.6 | 175.8 | 65.9 | 0 | 0 | 0 | 0 | 112.5 | K1407 Q1408 L1409 F1413 N1414 | K1407-S1411 PolarHBondContact O-N 2.76Å; K1407-S1411 PolarHBondContact O-OG 2.93Å; Q1408-S1411 PolarHBondContact O-OG 3.21Å; L1409-S1411 PolarHBondContact O-N 3.1Å; S1411-F1413 PolarHBondContact O-N 2.98Å; S1411-N1414 PolarHBondContact O-N 3.16Å; S1411-N1414 VanDerWaalsContact O-N 3.16Å |
| 1412 | R | 75.5 | Confident | 63.3 | Low | 201 Ų | 201 | 73 Ų | 73 | 76% | 0.758 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.4 | -25.9 | 174.3 | -172.8 | 176.5 | 176.3 | 172.8 | -1.1 | 113.2 | Q1408 L1409 L1410 | Q1408-R1412 PolarHBondContact O-N 3.3Å; L1409-R1412 WeakPolarHBondContact O-CB 3.3Å; L1409-R1412 PolarHBondContact O-N 3.37Å; L1410-R1412 VanDerWaalsContact C-N 3.29Å; L1410-R1412 PolarHBondContact O-N 2.58Å |
| 1413 | F | 70.1 | Confident | 64.3 | Low | 76 Ų | 76 | 71 Ų | 71 | 33% | 0.333 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 10.7 | 176.4 | -70.4 | -79.6 | 0 | 0 | 0 | 113.3 | P1338 L1339 A1342 L1409 L1410 S1411 I1415 | P1338-F1413 HydrophobicContact CB-CE1 4.01Å; P1338-F1413 HydrophobicContact CB-CZ 4.28Å; L1339-F1413 HydrophobicContact CB-CD2 4.46Å; L1339-F1413 HydrophobicContact CB-CE2 4.45Å; L1339-F1413 HydrophobicContact CD1-CD2 3.53Å; L1339-F1413 HydrophobicContact CD1-CE2 3.9Å; L1339-F1413 HydrophobicContact CD1-CG 4.14Å; A1342-F1413 HydrophobicContact CB-CE2 4.15Å; A1342-F1413 HydrophobicContact CB-CZ 4.47Å; L1409-F1413 VanDerWaalsContact O-CD2 3.26Å; L1409-F1413 WeakPolarHBondContact O-CD2 3.34Å; L1409-F1413 PolarHBondContact O-N 3.04Å; L1410-F1413 CarbonylContact O-C 3.59Å; L1410-F1413 PolarHBondContact O-N 2.81Å; L1410-F1413 VanDerWaalsContact O-N 3.14Å; S1411-F1413 PolarHBondContact O-N 2.98Å; F1413-I1415 VanDerWaalsContact C-N 3.29Å; F1413-I1415 HydrophobicContact CB-CD1 4.12Å; F1413-I1415 HydrophobicContact CB-CG1 4.27Å; F1413-I1415 PolarHBondContact O-N 3.06Å |
| 1414 | N | 68.1 | Low | 65.5 | Low | 142 Ų | 142 | 69.8 Ų | 69.8 | 76% | 0.759 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 30.3 | -178.7 | -63.5 | -26.5 | 0 | 0 | 0 | 115 | L1410 S1411 | L1410-N1414 PolarHBondContact O-N 3.26Å; S1411-N1414 PolarHBondContact O-N 3.16Å; S1411-N1414 VanDerWaalsContact O-N 3.16Å |
| 1415 | I | 65.9 | Low | 66.4 | Low | 19 Ų | 19 | 74.5 Ų | 74.5 | 10% | 0.097 | 38% | 0.383 | C | S | . | . | trans | -96.6 | 109.4 | 179.2 | -56.9 | 170.3 | 0 | 0 | 0 | 108.8 | L1339 L1410 F1413 E1420 L1421 L1426 | L1339-I1415 HydrophobicContact CD2-CD1 3.56Å; L1410-I1415 HydrophobicContact CD2-CD1 4.41Å; L1410-I1415 PolarHBondContact O-N 3.1Å; L1410-I1415 VanDerWaalsContact O-N 3.16Å; F1413-I1415 VanDerWaalsContact C-N 3.29Å; F1413-I1415 HydrophobicContact CB-CD1 4.12Å; F1413-I1415 HydrophobicContact CB-CG1 4.27Å; F1413-I1415 PolarHBondContact O-N 3.06Å; I1415-E1420 HydrophobicContact CG2-CB 4.29Å; I1415-L1421 HydrophobicContact CG2-CB 4.13Å; I1415-L1421 HydrophobicContact CG2-CD1 3.68Å; I1415-L1421 HydrophobicContact CG2-CG 3.97Å; I1415-L1426 HydrophobicContact CD1-CD1 4.21Å; I1415-L1426 HydrophobicContact CD1-CD2 4.04Å | ||
| 1416 | A | 58.9 | Low | 67.1 | Low | 88 Ų | 88 | 74.9 Ų | 74.9 | 73% | 0.727 | 38% | 0.381 | S | S | * | . | trans | -108.8 | -26.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | E1420 | A1416-E1420 PolarHBondContact N-OE2 3.02Š| ||
| 1417 | S | 59.8 | Low | 68 | Low | 44 Ų | 44 | 72.7 Ų | 72.7 | 31% | 0.308 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -120.9 | 155.4 | -176 | 69.2 | 0 | 0 | 0 | 0 | 113.2 | E1419 E1420 L1421 | S1417-E1419 PolarHBondContact O-N 3.49Å; S1417-E1420 PolarHBondContact N-OE2 3.39Å; S1417-E1420 PolarHBondContact O-N 2.95Å; S1417-E1420 VanDerWaalsContact OG-CD 3.29Å; S1417-E1420 VanDerWaalsContact OG-CG 3.28Å; S1417-E1420 WeakPolarHBondContact OG-CG 3.28Å; S1417-E1420 PolarHBondContact OG-N 3.36Å; S1417-E1420 PolarHBondContact OG-OE2 3.01Å; S1417-E1420 VanDerWaalsContact OG-OE2 3.13Å; S1417-L1421 PolarHBondContact O-N 3.3Å |
| 1418 | N | 61.1 | Low | 68.8 | Low | 48 Ų | 48 | 68 Ų | 68 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.8 | 172.9 | -84.2 | -20.9 | 0 | 0 | 0 | 112.5 | M1390 L1395 L1421 C1422 | M1390-N1418 HydrophobicContact CE-CB 4.06Å; L1395-N1418 VanDerWaalsContact CD1-OD1 3.27Å; L1395-N1418 WeakPolarHBondContact CD1-OD1 3.48Å; L1395-N1418 WeakPolarHBondContact CG-OD1 3.41Å; N1418-L1421 PolarHBondContact O-N 3.3Å; N1418-C1422 PolarHBondContact O-N 3.02Å; N1418-C1422 PolarHBondContact O-SG 3.29Å; N1418-C1422 VanDerWaalsContact O-SG 3.32Å |
| 1419 | E | 60.9 | Low | 69.9 | Low | 174 Ų | 174 | 61 Ų | 61 | 81% | 0.813 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -44.4 | 178.2 | -69.8 | 179.5 | -179.7 | 0 | 0 | 111 | S1417 L1421 C1422 | S1417-E1419 PolarHBondContact O-N 3.49Å; E1419-L1421 PolarHBondContact O-N 2.83Å; E1419-C1422 PolarHBondContact O-N 3.45Å |
| 1420 | E | 61.6 | Low | 70.6 | Confident | 96 Ų | 96 | 59.6 Ų | 59.6 | 45% | 0.449 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -61.3 | -30.9 | 170.7 | -70.3 | 162.1 | 165.6 | 0 | 0 | 111.9 | I1415 A1416 S1417 C1422 D1423 L1426 | I1415-E1420 HydrophobicContact CG2-CB 4.29Å; A1416-E1420 PolarHBondContact N-OE2 3.02Å; S1417-E1420 PolarHBondContact N-OE2 3.39Å; S1417-E1420 PolarHBondContact O-N 2.95Å; S1417-E1420 VanDerWaalsContact OG-CD 3.29Å; S1417-E1420 VanDerWaalsContact OG-CG 3.28Å; S1417-E1420 WeakPolarHBondContact OG-CG 3.28Å; S1417-E1420 PolarHBondContact OG-N 3.36Å; S1417-E1420 PolarHBondContact OG-OE2 3.01Å; S1417-E1420 VanDerWaalsContact OG-OE2 3.13Å; E1420-C1422 PolarHBondContact O-N 3.23Å; E1420-D1423 PolarHBondContact O-N 2.87Å; E1420-L1426 WeakPolarHBondContact O-CD1 3.45Å |
| 1421 | L | 64.9 | Low | 71.4 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -74.2 | -11.3 | 177.7 | -135.7 | 142.1 | 0 | 0 | 0 | 113 | H1388 P1389 M1390 V1393 L1395 L1410 I1415 S1417 N1418 E1419 D1423 | H1388-L1421 PolarHBondContact CE1-O 3.41Å; H1388-L1421 VanDerWaalsContact CE1-O 3.24Å; P1389-L1421 HydrophobicContact CB-CD2 4.41Å; M1390-L1421 HydrophobicContact CB-CD2 3.68Å; M1390-L1421 HydrophobicContact CG-CD2 4.24Å; M1390-L1421 HydrophobicContact SD-CB 4.04Å; M1390-L1421 HydrophobicContact SD-CD2 3.58Å; M1390-L1421 VanDerWaalsContact SD-CD2 3.58Å; M1390-L1421 HydrophobicContact SD-CG 4.34Å; V1393-L1421 HydrophobicContact CB-CD1 4.49Å; V1393-L1421 HydrophobicContact CB-CD2 4.45Å; V1393-L1421 HydrophobicContact CG1-CD1 4.01Å; L1395-L1421 HydrophobicContact CD1-CD1 4.37Å; L1410-L1421 HydrophobicContact CD2-CD1 4.1Å; I1415-L1421 HydrophobicContact CG2-CB 4.13Å; I1415-L1421 HydrophobicContact CG2-CD1 3.68Å; I1415-L1421 HydrophobicContact CG2-CG 3.97Å; S1417-L1421 PolarHBondContact O-N 3.3Å; N1418-L1421 PolarHBondContact O-N 3.3Å; E1419-L1421 PolarHBondContact O-N 2.83Å; L1421-D1423 VanDerWaalsContact C-N 3.34Å |
| 1422 | C | 61.1 | Low | 72.2 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 12% | 0.115 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -92.1 | 16.3 | 175.3 | -69.9 | 0 | 0 | 0 | 0 | 113.5 | N1418 E1419 E1420 L1476 | N1418-C1422 PolarHBondContact O-N 3.02Å; N1418-C1422 PolarHBondContact O-SG 3.29Å; N1418-C1422 VanDerWaalsContact O-SG 3.32Å; E1419-C1422 PolarHBondContact O-N 3.45Å; E1420-C1422 PolarHBondContact O-N 3.23Å; C1422-L1476 WeakPolarHBondContact O-CD2 3.35Å |
| 1423 | D | 69.2 | Low | 72.8 | Confident | 71 Ų | 71 | 49.2 Ų | 49.2 | 38% | 0.38 | 27% | 0.265 | S | S | . | . | trans | -76.5 | 134.6 | 176.5 | -171.3 | 2.8 | 0 | 0 | 0 | 112.3 | H1388 E1420 L1421 Q1425 L1426 | H1388-D1423 PolarHBondContact NE2-O 3.48Å; E1420-D1423 PolarHBondContact O-N 2.87Å; L1421-D1423 VanDerWaalsContact C-N 3.34Å; D1423-Q1425 PolarHBondContact O-N 2.83Å; D1423-Q1425 PolarHBondContact OD1-N 3.32Å; D1423-Q1425 VanDerWaalsContact OD1-N 3.17Å; D1423-L1426 HydrophobicContact CB-CD1 4.25Å; D1423-L1426 HydrophobicContact CB-CG 4.23Å; D1423-L1426 WeakPolarHBondContact O-CB 3.35Å; D1423-L1426 PolarHBondContact O-N 2.99Å; D1423-L1426 VanDerWaalsContact O-N 3.14Å | ||
| 1424 | V | 70.3 | Confident | 73.4 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -58.2 | -31.4 | 175.4 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | L1426 S1427 M1430 I1431 L1476 I1481 | V1424-L1426 PolarHBondContact O-N 2.82Å; V1424-L1426 VanDerWaalsContact O-N 3.13Å; V1424-S1427 PolarHBondContact O-N 3.41Å; V1424-M1430 HydrophobicContact CB-CG 4.21Å; V1424-M1430 HydrophobicContact CG1-CB 4.02Å; V1424-M1430 HydrophobicContact CG1-CG 3.82Å; V1424-M1430 HydrophobicContact CG2-CG 3.88Å; V1424-I1431 HydrophobicContact CG1-CG1 4.32Å; V1424-L1476 HydrophobicContact CG2-CD1 4.28Å; V1424-L1476 HydrophobicContact CG2-CD2 4.09Å; V1424-I1481 HydrophobicContact CB-CG2 4.4Å; V1424-I1481 HydrophobicContact CG2-CB 4.46Å; V1424-I1481 HydrophobicContact CG2-CD1 4.16Å; V1424-I1481 HydrophobicContact CG2-CG2 3.6Å |
| 1425 | Q | 74.5 | Confident | 74.3 | Confident | 147 Ų | 147 | 47.4 Ų | 47.4 | 69% | 0.687 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -64.5 | -16.2 | 179.8 | -61.1 | -158.7 | -1.2 | 0 | 0 | 113.8 | D1423 S1427 | D1423-Q1425 PolarHBondContact O-N 2.83Å; D1423-Q1425 PolarHBondContact OD1-N 3.32Å; D1423-Q1425 VanDerWaalsContact OD1-N 3.17Å; Q1425-S1427 VanDerWaalsContact C-N 3.34Å |
| 1426 | L | 78 | Confident | 75.2 | Confident | 28 Ų | 28 | 46.6 Ų | 46.6 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -81.9 | -10.7 | -178.5 | -61.7 | 175.7 | 0 | 0 | 0 | 113.6 | S1337 L1339 P1389 I1415 E1420 D1423 V1424 | S1337-L1426 VanDerWaalsContact CB-O 3.32Å; S1337-L1426 WeakPolarHBondContact CB-O 3.14Å; S1337-L1426 PolarHBondContact OG-O 3.16Å; L1339-L1426 HydrophobicContact CD2-CD2 3.95Å; P1389-L1426 HydrophobicContact CG-CB 4.41Å; I1415-L1426 HydrophobicContact CD1-CD1 4.21Å; I1415-L1426 HydrophobicContact CD1-CD2 4.04Å; E1420-L1426 WeakPolarHBondContact O-CD1 3.45Å; D1423-L1426 HydrophobicContact CB-CD1 4.25Å; D1423-L1426 HydrophobicContact CB-CG 4.23Å; D1423-L1426 WeakPolarHBondContact O-CB 3.35Å; D1423-L1426 PolarHBondContact O-N 2.99Å; D1423-L1426 VanDerWaalsContact O-N 3.14Å; V1424-L1426 PolarHBondContact O-N 2.82Å; V1424-L1426 VanDerWaalsContact O-N 3.13Å |
| 1427 | S | 84.4 | Confident | 76.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -127.8 | 122.4 | 177.3 | 176.2 | 0 | 0 | 0 | 0 | 112.5 | Q1340 S1387 H1388 V1424 Q1425 K1429 M1430 I1431 | Q1340-S1427 PolarHBondContact NE2-OG 3.2Å; S1387-S1427 PolarHBondContact O-OG 3.02Å; H1388-S1427 WeakPolarHBondContact CD2-CB 3.45Å; V1424-S1427 PolarHBondContact O-N 3.41Å; Q1425-S1427 VanDerWaalsContact C-N 3.34Å; S1427-K1429 PolarHBondContact O-N 3.09Å; S1427-K1429 PolarHBondContact OG-N 3.28Å; S1427-M1430 PolarHBondContact O-N 2.91Å; S1427-I1431 WeakPolarHBondContact O-CG1 3.46Å; S1427-I1431 PolarHBondContact O-N 3.21Å; S1427-I1431 VanDerWaalsContact O-N 3.13Å | ||
| 1428 | G | 84.4 | Confident | 77.4 | Confident | 10 Ų | 10 | 43.9 Ų | 43.9 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58 | -35.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1335 Q1340 A1432 | T1335-G1428 WeakPolarHBondContact O-CA 3.22Å; Q1340-G1428 VanDerWaalsContact OE1-N 3.15Å; G1428-A1432 WeakPolarHBondContact O-CB 3.18Å; G1428-A1432 PolarHBondContact O-N 2.69Å |
| 1429 | K | 88.6 | Confident | 78.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.1 | -33.5 | 175.6 | -73.3 | -165 | -178.4 | -166.4 | 0 | 113.3 | C1334 S1427 A1432 L1433 F1537 D1538 T1569 E1574 | C1334-K1429 HydrophobicContact CB-CG 4.45Å; S1427-K1429 PolarHBondContact O-N 3.09Å; S1427-K1429 PolarHBondContact OG-N 3.28Å; K1429-A1432 PolarHBondContact O-N 2.81Å; K1429-L1433 WeakPolarHBondContact O-CB 3.47Å; K1429-L1433 PolarHBondContact O-N 3.48Å; K1429-F1537 HydrophobicContact CB-CE2 3.85Å; K1429-F1537 HydrophobicContact CB-CZ 3.77Å; K1429-F1537 HydrophobicContact CD-CD1 4.49Å; K1429-F1537 HydrophobicContact CD-CE1 4.05Å; K1429-F1537 HydrophobicContact CD-CE2 4.43Å; K1429-F1537 HydrophobicContact CD-CZ 4.02Å; K1429-F1537 PolarHBondContact NZ-O 3Å; K1429-D1538 IonicContact NZ-OD1 3.22Å; K1429-D1538 PolarHBondContact NZ-OD1 2.99Å; K1429-T1569 WeakPolarHBondContact CE-OG1 3.13Å; K1429-E1574 WeakPolarHBondContact CE-OE1 3.08Å; K1429-E1574 WeakPolarHBondContact CE-OE2 3.34Å; K1429-E1574 IonicContact NZ-OE1 3.04Å; K1429-E1574 PolarHBondContact NZ-OE1 3.2Å; K1429-E1574 IonicContact NZ-OE2 3.47Å; K1429-E1574 PolarHBondContact NZ-OE2 3.42Å |
| 1430 | M | 86.5 | Confident | 79.1 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -75.3 | -34.2 | -178.7 | -156.9 | 65.6 | 78.8 | 0 | 0 | 110.9 | V1424 S1427 L1433 K1434 L1472 I1473 L1476 F1482 F1537 | V1424-M1430 HydrophobicContact CB-CG 4.21Å; V1424-M1430 HydrophobicContact CG1-CB 4.02Å; V1424-M1430 HydrophobicContact CG1-CG 3.82Å; V1424-M1430 HydrophobicContact CG2-CG 3.88Å; S1427-M1430 PolarHBondContact O-N 2.91Å; M1430-L1433 PolarHBondContact O-N 2.85Å; M1430-L1433 HydrophobicContact SD-CD2 3.95Å; M1430-K1434 WeakPolarHBondContact O-CB 3.48Å; M1430-K1434 PolarHBondContact O-N 3.07Å; M1430-L1472 HydrophobicContact CE-CD2 4.1Å; M1430-L1472 HydrophobicContact CE-CG 4.33Å; M1430-I1473 HydrophobicContact CE-CG1 4.03Å; M1430-I1473 HydrophobicContact SD-CG1 4.35Å; M1430-L1476 HydrophobicContact CE-CD1 3.39Å; M1430-L1476 HydrophobicContact CG-CD1 3.84Å; M1430-L1476 HydrophobicContact SD-CD1 3.66Å; M1430-F1482 HydrophobicContact CG-CZ 4.23Å; M1430-F1482 HydrophobicContact SD-CZ 3.82Å; M1430-F1537 HydrophobicContact CE-CE2 4.5Å; M1430-F1537 HydrophobicContact CE-CZ 4.35Å; M1430-F1537 HydrophobicContact SD-CE2 4.43Å |
| 1431 | I | 86.2 | Confident | 79.6 | Confident | 62 Ų | 62 | 37.2 Ų | 37.2 | 32% | 0.318 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.7 | -51.7 | 168.2 | -63 | 166.1 | 0 | 0 | 0 | 109.8 | V1424 S1427 L1433 K1434 E1435 | V1424-I1431 HydrophobicContact CG1-CG1 4.32Å; S1427-I1431 WeakPolarHBondContact O-CG1 3.46Å; S1427-I1431 PolarHBondContact O-N 3.21Å; S1427-I1431 VanDerWaalsContact O-N 3.13Å; I1431-L1433 VanDerWaalsContact C-N 3.31Å; I1431-L1433 PolarHBondContact O-N 3.48Å; I1431-K1434 WeakPolarHBondContact O-CB 3.45Å; I1431-K1434 PolarHBondContact O-N 3.21Å; I1431-K1434 VanDerWaalsContact O-N 3.07Å; I1431-E1435 WeakPolarHBondContact O-CG 3.1Å; I1431-E1435 PolarHBondContact O-N 3.32Å |
| 1432 | A | 86.8 | Confident | 79.9 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.7 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1332 C1334 G1428 K1429 K1434 E1435 L1436 L1567 | Y1332-A1432 HydrophobicContact CD1-CB 3.92Å; Y1332-A1432 HydrophobicContact CE1-CB 3.47Å; Y1332-A1432 VanDerWaalsContact CE1-CB 3.47Å; C1334-A1432 WeakPolarHBondContact SG-CB 2.86Å; G1428-A1432 WeakPolarHBondContact O-CB 3.18Å; G1428-A1432 PolarHBondContact O-N 2.69Å; K1429-A1432 PolarHBondContact O-N 2.81Å; A1432-K1434 VanDerWaalsContact C-N 3.34Å; A1432-K1434 PolarHBondContact O-N 3.3Å; A1432-E1435 PolarHBondContact O-N 2.97Å; A1432-L1436 WeakPolarHBondContact O-CB 3.46Å; A1432-L1436 VanDerWaalsContact O-CG 3.31Å; A1432-L1436 WeakPolarHBondContact O-CG 3.38Å; A1432-L1436 PolarHBondContact O-N 3.4Å; A1432-L1567 HydrophobicContact CB-CD2 3.92Å |
| 1433 | L | 87.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 175.7 | -178.2 | 63.9 | 0 | 0 | 0 | 111.3 | K1429 M1430 I1431 L1436 L1437 I1462 I1473 F1482 I1535 F1537 L1567 | K1429-L1433 WeakPolarHBondContact O-CB 3.47Å; K1429-L1433 PolarHBondContact O-N 3.48Å; M1430-L1433 PolarHBondContact O-N 2.85Å; M1430-L1433 HydrophobicContact SD-CD2 3.95Å; I1431-L1433 VanDerWaalsContact C-N 3.31Å; I1431-L1433 PolarHBondContact O-N 3.48Å; L1433-L1436 PolarHBondContact O-N 3.43Å; L1433-L1437 HydrophobicContact CD1-CD1 4.21Å; L1433-L1437 HydrophobicContact CD1-CG 4.21Å; L1433-L1437 HydrophobicContact CG-CD1 4.07Å; L1433-L1437 HydrophobicContact CG-CG 4.45Å; L1433-L1437 WeakPolarHBondContact O-CB 3.35Å; L1433-L1437 VanDerWaalsContact O-CG 3.25Å; L1433-L1437 WeakPolarHBondContact O-CG 3.24Å; L1433-L1437 PolarHBondContact O-N 3.1Å; L1433-I1462 HydrophobicContact CD1-CD1 4.21Å; L1433-I1473 HydrophobicContact CD2-CD1 4.25Å; L1433-I1473 HydrophobicContact CD2-CG1 4.42Å; L1433-F1482 HydrophobicContact CD2-CE1 4.49Å; L1433-F1482 HydrophobicContact CD2-CZ 4.17Å; L1433-F1482 HydrophobicContact CG-CE1 4.37Å; L1433-I1535 HydrophobicContact CD1-CD1 4.03Å; L1433-I1535 HydrophobicContact CD1-CG2 4.1Å; L1433-F1537 HydrophobicContact CD2-CD2 4.19Å; L1433-F1537 HydrophobicContact CD2-CE2 4.27Å; L1433-L1567 HydrophobicContact CB-CD1 4.48Å |
| 1434 | K | 83.4 | Confident | 79.3 | Confident | 97 Ų | 97 | 38.4 Ų | 38.4 | 42% | 0.422 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63 | -44.9 | 176.4 | -174 | 178.2 | 177.8 | 176.8 | 0 | 111.3 | M1430 I1431 A1432 S1438 F1482 | M1430-K1434 WeakPolarHBondContact O-CB 3.48Å; M1430-K1434 PolarHBondContact O-N 3.07Å; I1431-K1434 WeakPolarHBondContact O-CB 3.45Å; I1431-K1434 PolarHBondContact O-N 3.21Å; I1431-K1434 VanDerWaalsContact O-N 3.07Å; A1432-K1434 VanDerWaalsContact C-N 3.34Å; A1432-K1434 PolarHBondContact O-N 3.3Å; K1434-S1438 WeakPolarHBondContact O-CB 3.47Å; K1434-S1438 PolarHBondContact O-N 2.81Å; K1434-S1438 PolarHBondContact O-OG 2.99Å; K1434-F1482 HydrophobicContact CB-CD1 4.06Å; K1434-F1482 HydrophobicContact CB-CE1 3.74Å; K1434-F1482 HydrophobicContact CG-CD1 4.11Å; K1434-F1482 HydrophobicContact CG-CE1 4.26Å |
| 1435 | E | 85.2 | Confident | 78.3 | Confident | 84 Ų | 84 | 47.2 Ų | 47.2 | 39% | 0.393 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.3 | -53 | 176.1 | -71.7 | 171 | 173.7 | 0 | 0 | 110.5 | Y1332 I1431 A1432 L1437 S1438 E1439 | Y1332-E1435 PolarHBondContact OH-OE2 2.96Å; I1431-E1435 WeakPolarHBondContact O-CG 3.1Å; I1431-E1435 PolarHBondContact O-N 3.32Å; A1432-E1435 PolarHBondContact O-N 2.97Å; E1435-L1437 PolarHBondContact O-N 3.02Å; E1435-S1438 PolarHBondContact O-N 3.4Å; E1435-S1438 VanDerWaalsContact O-N 3.12Å; E1435-S1438 PolarHBondContact O-OG 2.93Å; E1435-E1439 WeakPolarHBondContact O-CG 3.47Å; E1435-E1439 PolarHBondContact O-N 3.3Å |
| 1436 | L | 85.3 | Confident | 77 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.4 | -42.9 | -179.8 | -73.6 | 175.4 | 0 | 0 | 0 | 113 | Y1332 A1432 L1433 S1438 E1439 C1440 Y1565 L1567 | Y1332-L1436 HydrophobicContact CD2-CD2 4Å; Y1332-L1436 HydrophobicContact CE2-CD2 4.04Å; Y1332-L1436 HydrophobicContact CG-CD1 4.43Å; A1432-L1436 WeakPolarHBondContact O-CB 3.46Å; A1432-L1436 VanDerWaalsContact O-CG 3.31Å; A1432-L1436 WeakPolarHBondContact O-CG 3.38Å; A1432-L1436 PolarHBondContact O-N 3.4Å; L1433-L1436 PolarHBondContact O-N 3.43Å; L1436-S1438 VanDerWaalsContact C-N 3.34Å; L1436-E1439 PolarHBondContact O-N 2.89Å; L1436-C1440 WeakPolarHBondContact O-CB 3.3Å; L1436-C1440 PolarHBondContact O-N 3.08Å; L1436-C1440 PolarHBondContact O-SG 2.82Å; L1436-Y1565 HydrophobicContact CD1-CD1 4.41Å; L1436-Y1565 HydrophobicContact CD1-CG 4.26Å; L1436-Y1565 HydrophobicContact CD2-CD1 3.72Å; L1436-Y1565 HydrophobicContact CD2-CE1 3.82Å; L1436-Y1565 HydrophobicContact CD2-CG 4.18Å; L1436-L1567 HydrophobicContact CD1-CD2 3.68Å |
| 1437 | L | 84.2 | Confident | 75.1 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 176.7 | -70.9 | 176 | 0 | 0 | 0 | 111.2 | L1433 E1435 C1440 G1441 I1442 F1482 L1514 I1535 | L1433-L1437 HydrophobicContact CD1-CD1 4.21Å; L1433-L1437 HydrophobicContact CD1-CG 4.21Å; L1433-L1437 HydrophobicContact CG-CD1 4.07Å; L1433-L1437 HydrophobicContact CG-CG 4.45Å; L1433-L1437 WeakPolarHBondContact O-CB 3.35Å; L1433-L1437 VanDerWaalsContact O-CG 3.25Å; L1433-L1437 WeakPolarHBondContact O-CG 3.24Å; L1433-L1437 PolarHBondContact O-N 3.1Å; E1435-L1437 PolarHBondContact O-N 3.02Å; L1437-C1440 PolarHBondContact O-N 3.15Å; L1437-G1441 PolarHBondContact O-N 3.36Å; L1437-I1442 CarbonylContact C-O 3.52Å; L1437-I1442 HydrophobicContact CB-CB 4.45Å; L1437-I1442 HydrophobicContact CD2-CB 4.33Å; L1437-I1442 HydrophobicContact CD2-CD1 4.05Å; L1437-I1442 HydrophobicContact CD2-CG2 4.3Å; L1437-I1442 WeakPolarHBondContact O-CB 3.43Å; L1437-I1442 PolarHBondContact O-N 3.16Å; L1437-F1482 HydrophobicContact CD1-CD1 3.91Å; L1437-F1482 HydrophobicContact CD1-CE1 4.27Å; L1437-F1482 HydrophobicContact CD1-CG 4.34Å; L1437-L1514 HydrophobicContact CD1-CD1 4.49Å; L1437-L1514 HydrophobicContact CD2-CD2 3.95Å; L1437-I1535 HydrophobicContact CD2-CD1 4.13Å |
| 1438 | S | 81.9 | Confident | 73.2 | Confident | 71 Ų | 71 | 62.3 Ų | 62.3 | 50% | 0.497 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.7 | -38.5 | 177.5 | 72.4 | 0 | 0 | 0 | 0 | 112.9 | K1434 E1435 L1436 C1440 G1441 | K1434-S1438 WeakPolarHBondContact O-CB 3.47Å; K1434-S1438 PolarHBondContact O-N 2.81Å; K1434-S1438 PolarHBondContact O-OG 2.99Å; E1435-S1438 PolarHBondContact O-N 3.4Å; E1435-S1438 VanDerWaalsContact O-N 3.12Å; E1435-S1438 PolarHBondContact O-OG 2.93Å; L1436-S1438 VanDerWaalsContact C-N 3.34Å; S1438-C1440 VanDerWaalsContact C-N 3.31Å; S1438-C1440 PolarHBondContact O-N 3.29Å; S1438-G1441 PolarHBondContact O-N 3.15Å |
| 1439 | E | 80.7 | Confident | 71.2 | Confident | 135 Ų | 135 | 68 Ų | 68 | 63% | 0.631 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.7 | -36.5 | 174.2 | -74.4 | -179.1 | 174.6 | 0 | 0 | 111.3 | E1435 L1436 G1441 | E1435-E1439 WeakPolarHBondContact O-CG 3.47Å; E1435-E1439 PolarHBondContact O-N 3.3Å; L1436-E1439 PolarHBondContact O-N 2.89Å; E1439-G1441 PolarHBondContact O-N 2.88Å |
| 1440 | C | 76.8 | Confident | 69.1 | Low | 13 Ų | 13 | 77.2 Ų | 77.2 | 9% | 0.088 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -2.9 | 174.3 | -64.8 | 0 | 0 | 0 | 0 | 113.3 | L1436 L1437 S1438 I1442 H1458 | L1436-C1440 WeakPolarHBondContact O-CB 3.3Å; L1436-C1440 PolarHBondContact O-N 3.08Å; L1436-C1440 PolarHBondContact O-SG 2.82Å; L1437-C1440 PolarHBondContact O-N 3.15Å; S1438-C1440 VanDerWaalsContact C-N 3.31Å; S1438-C1440 PolarHBondContact O-N 3.29Å; C1440-I1442 HydrophobicContact CB-CD1 4.03Å; C1440-I1442 HydrophobicContact CB-CG1 4.08Å; C1440-I1442 PolarHBondContact O-N 3.42Å; C1440-H1458 PolarHBondContact O-CD2 3.5Å |
| 1441 | G | 71.2 | Confident | 67.1 | Low | 31 Ų | 31 | 85.4 Ų | 85.4 | 32% | 0.32 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 13.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1437 S1438 E1439 | L1437-G1441 PolarHBondContact O-N 3.36Å; S1438-G1441 PolarHBondContact O-N 3.15Å; E1439-G1441 PolarHBondContact O-N 2.88Å |
| 1442 | I | 70.9 | Confident | 65.2 | Low | 2 Ų | 2 | 87 Ų | 87 | 1% | 0.01 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -87 | 114.8 | 177.7 | -58.6 | 172.3 | 0 | 0 | 0 | 107.6 | L1437 C1440 A1460 V1485 D1513 L1514 | L1437-I1442 CarbonylContact C-O 3.52Å; L1437-I1442 HydrophobicContact CB-CB 4.45Å; L1437-I1442 HydrophobicContact CD2-CB 4.33Å; L1437-I1442 HydrophobicContact CD2-CD1 4.05Å; L1437-I1442 HydrophobicContact CD2-CG2 4.3Å; L1437-I1442 WeakPolarHBondContact O-CB 3.43Å; L1437-I1442 PolarHBondContact O-N 3.16Å; C1440-I1442 HydrophobicContact CB-CD1 4.03Å; C1440-I1442 HydrophobicContact CB-CG1 4.08Å; C1440-I1442 PolarHBondContact O-N 3.42Å; I1442-A1460 HydrophobicContact CD1-CB 3.82Å; I1442-V1485 HydrophobicContact CG2-CG1 3.77Å; I1442-V1485 HydrophobicContact CG2-CG2 4.13Å; I1442-D1513 HydrophobicContact CG2-CB 4.22Å; I1442-L1514 HydrophobicContact CD1-CD2 4.15Å; I1442-L1514 HydrophobicContact CG2-CD2 4.23Å; I1442-L1514 HydrophobicContact CG2-CG 4.33Å |
| 1443 | G | 61.3 | Low | 63.2 | Low | 22 Ų | 22 | 90 Ų | 90 | 23% | 0.227 | 49% | 0.488 | C | S | . | . | S | Bend | trans | 89.5 | 3.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | F1482 | G1443-F1482 WeakPolarHBondContact CA-O 3.39Š|
| 1444 | S | 56.8 | Low | 61.4 | Low | 89 Ų | 89 | 92.7 Ų | 92.7 | 62% | 0.622 | 52% | 0.516 | S | S | * | . | trans | -64.6 | 143 | 173.3 | -163.4 | 0 | 0 | 0 | 0 | 111.3 | R1446 | S1444-R1446 PolarHBondContact O-N 2.57Š| ||
| 1445 | F | 48.6 | Very low | 60.2 | Low | 193 Ų | 193 | 93 Ų | 93 | 85% | 0.846 | 52% | 0.522 | S | S | * | . | trans | -55.2 | 126.4 | 177.2 | -99 | -95.3 | 0 | 0 | 0 | 109.5 | T1447 | F1445-T1447 PolarHBondContact O-N 3.1Š| ||
| 1446 | R | 47.8 | Very low | 59 | Low | 186 Ų | 186 | 90 Ų | 90 | 70% | 0.702 | 51% | 0.509 | S | S | * | . | trans | -58.1 | 83.2 | 174.3 | -62.3 | 174.4 | 177.9 | 174.9 | -1.6 | 109.6 | S1444 | S1444-R1446 PolarHBondContact O-N 2.57Š| ||
| 1447 | T | 39.5 | Very low | 58.2 | Low | 118 Ų | 118 | 93.5 Ų | 93.5 | 72% | 0.724 | 53% | 0.532 | S | S | * | . | trans | -65.9 | 136.7 | 171.2 | 39.2 | 0 | 0 | 0 | 0 | 108.8 | F1445 D1449 | F1445-T1447 PolarHBondContact O-N 3.1Å; T1447-D1449 PolarHBondContact O-N 3.24Å | ||
| 1448 | E | 43.8 | Very low | 58.2 | Low | 188 Ų | 188 | 96.7 Ų | 96.7 | 88% | 0.879 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -65.9 | 38.4 | -159.6 | -57.9 | 177.3 | 153.9 | 0 | 0 | 116.7 | E1450 | E1448-E1450 PolarHBondContact O-N 3.11Š|
| 1449 | D | 42.2 | Very low | 58.4 | Low | 130 Ų | 130 | 94.4 Ų | 94.4 | 70% | 0.695 | 53% | 0.527 | S | S | * | . | trans | -86.6 | 88.4 | 170.9 | -73.7 | -27.2 | 0 | 0 | 0 | 109.8 | T1447 N1451 | T1447-D1449 PolarHBondContact O-N 3.24Å; D1449-N1451 PolarHBondContact O-N 3.44Å | ||
| 1450 | E | 44.7 | Very low | 58.8 | Low | 192 Ų | 192 | 88 Ų | 88 | 90% | 0.897 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -2.7 | -176.3 | -72.3 | -156 | 141.5 | 0 | 0 | 116.2 | E1448 | E1448-E1450 PolarHBondContact O-N 3.11Š|
| 1451 | N | 44.6 | Very low | 59.5 | Low | 172 Ų | 172 | 87.3 Ų | 87.3 | 92% | 0.92 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -6.7 | -174.4 | -77.6 | -17 | 0 | 0 | 0 | 116 | D1449 | D1449-N1451 PolarHBondContact O-N 3.44Š|
| 1452 | S | 44.9 | Very low | 60.5 | Low | 95 Ų | 95 | 85.9 Ų | 85.9 | 66% | 0.664 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -118.9 | 100.5 | 170.9 | 28.2 | 0 | 0 | 0 | 0 | 108.2 | G1454 | S1452-G1454 PolarHBondContact O-N 3.29Š|
| 1453 | G | 45.8 | Very low | 61.4 | Low | 67 Ų | 67 | 85.8 Ų | 85.8 | 69% | 0.691 | 48% | 0.478 | S | S | * | . | trans | -61.6 | 71.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | I1455 | G1453-I1455 WeakPolarHBondContact O-CG1 3.31Å; G1453-I1455 PolarHBondContact O-N 3.28Å | ||
| 1454 | G | 50.9 | Low | 62.8 | Low | 57 Ų | 57 | 84.8 Ų | 84.8 | 59% | 0.588 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 58.5 | 7.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | S1452 | S1452-G1454 PolarHBondContact O-N 3.29Š|
| 1455 | I | 56.2 | Low | 64.3 | Low | 104 Ų | 104 | 81.8 Ų | 81.8 | 53% | 0.533 | 44% | 0.443 | S | S | . | . | trans | -95.7 | 129.3 | -177.1 | -65 | 156.5 | 0 | 0 | 0 | 109.2 | G1453 P1510 | G1453-I1455 WeakPolarHBondContact O-CG1 3.31Å; G1453-I1455 PolarHBondContact O-N 3.28Å; I1455-P1510 HydrophobicContact CG2-CB 4.47Å | ||
| 1456 | S | 61.6 | Low | 66 | Low | 20 Ų | 20 | 73.9 Ų | 73.9 | 14% | 0.14 | 41% | 0.408 | C | S | . | . | trans | -60.5 | 141.1 | 175.7 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | H1458 D1513 | S1456-H1458 VanDerWaalsContact C-N 3.28Å; S1456-H1458 PolarHBondContact O-N 3.4Å; S1456-H1458 PolarHBondContact OG-O 3.15Å; S1456-D1513 WeakPolarHBondContact CB-OD1 3.37Å; S1456-D1513 PolarHBondContact OG-OD1 3.45Å | ||
| 1457 | P | 68.8 | Low | 67.8 | Low | 75 Ų | 75 | 69.5 Ų | 69.5 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -68.6 | -29.5 | 179.5 | 26.1 | -32.8 | 0 | 0 | 0 | 112.3 | R1560 | P1457-R1560 PolarHBondContact O-NH1 2.81Š|
| 1458 | H | 82.4 | Confident | 69.9 | Low | 70 Ų | 70 | 65.7 Ų | 65.7 | 32% | 0.324 | 37% | 0.373 | S | S | . | . | trans | -120.1 | 145.1 | -172.6 | -64.2 | -58.3 | 0 | 0 | 0 | 112 | C1440 S1456 D1532 V1533 | C1440-H1458 PolarHBondContact O-CD2 3.5Å; S1456-H1458 VanDerWaalsContact C-N 3.28Å; S1456-H1458 PolarHBondContact O-N 3.4Å; S1456-H1458 PolarHBondContact OG-O 3.15Å; H1458-D1532 WeakPolarHBondContact CA-OD1 3.41Å; H1458-D1532 IonicContact CE1-OD2 3.72Å; H1458-D1532 IonicContact CG-OD2 3.76Å; H1458-D1532 IonicContact ND1-OD1 3.82Å; H1458-D1532 IonicContact ND1-OD2 2.78Å; H1458-D1532 PolarHBondContact ND1-OD2 3.08Å; H1458-V1533 HydrophobicContact CB-CG2 4.21Å | ||
| 1459 | R | 87.2 | Confident | 71.9 | Confident | 23 Ų | 23 | 56.8 Ų | 56.8 | 9% | 0.087 | 33% | 0.331 | C | S | . | . | trans | -125.9 | 129.5 | -177.5 | -58 | -179.5 | 68.8 | -167.2 | 5.2 | 109.3 | F1506 D1509 I1512 D1513 G1530 A1531 D1532 V1533 | R1459-F1506 HydrophobicContact CB-CZ 4.43Å; R1459-F1506 PolarHBondContact NH1-O 2.71Å; R1459-F1506 PolarHBondContact NH2-O 2.89Å; R1459-D1509 PolarHBondContact NH2-O 2.93Å; R1459-I1512 PolarHBondContact NE-O 3.28Å; R1459-I1512 PolarHBondContact NH2-O 3.11Å; R1459-D1513 WeakPolarHBondContact CA-O 3.45Å; R1459-G1530 WeakPolarHBondContact CD-O 3.48Å; R1459-A1531 WeakPolarHBondContact O-CA 3.38Å; R1459-A1531 WeakPolarHBondContact O-CB 3.33Å; R1459-D1532 PolarHBondContact N-OD1 2.87Å; R1459-D1532 PolarHBondContact O-N 3.45Å; R1459-D1532 VanDerWaalsContact O-N 3.14Å; R1459-D1532 VanDerWaalsContact O-OD1 3.1Å; R1459-V1533 PolarHBondContact O-N 3.38Å; R1459-V1533 VanDerWaalsContact O-N 3.1Å | ||
| 1460 | A | 89.5 | Confident | 74.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1442 D1513 L1514 L1515 V1533 | I1442-A1460 HydrophobicContact CD1-CB 3.82Å; A1460-D1513 PolarHBondContact N-O 3.02Å; A1460-L1514 HydrophobicContact CB-CD2 3.65Å; A1460-L1514 WeakPolarHBondContact O-CA 3.36Å; A1460-L1515 PolarHBondContact O-N 3.29Å; A1460-V1533 CarbonylContact C-O 3.57Å; A1460-V1533 VanDerWaalsContact CA-O 3.25Å; A1460-V1533 WeakPolarHBondContact CA-O 3.38Å; A1460-V1533 HydrophobicContact CB-CB 3.85Å; A1460-V1533 HydrophobicContact CB-CG1 3.99Å |
| 1461 | L | 90.9 | Very high | 76.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 124.8 | 166.9 | -53.8 | -177.6 | 0 | 0 | 0 | 109.2 | F1463 F1506 L1515 L1517 L1528 A1531 V1533 V1534 I1535 A1553 | L1461-F1463 HydrophobicContact CB-CE2 4.03Å; L1461-F1463 HydrophobicContact CB-CZ 4.4Å; L1461-F1463 HydrophobicContact CD1-CE2 4.32Å; L1461-F1463 HydrophobicContact CD1-CZ 4.25Å; L1461-F1506 HydrophobicContact CD2-CE1 3.71Å; L1461-F1506 HydrophobicContact CD2-CZ 3.73Å; L1461-L1515 HydrophobicContact CD2-CB 3.75Å; L1461-L1515 HydrophobicContact CD2-CD2 3.95Å; L1461-L1515 HydrophobicContact CD2-CG 4.34Å; L1461-L1517 HydrophobicContact CB-CD1 4.05Å; L1461-L1517 HydrophobicContact CD2-CD1 4.12Å; L1461-L1528 HydrophobicContact CD1-CB 3.94Å; L1461-L1528 HydrophobicContact CD1-CD1 3.94Å; L1461-A1531 HydrophobicContact CD1-CB 3.99Å; L1461-A1531 HydrophobicContact CD2-CB 3.73Å; L1461-A1531 HydrophobicContact CG-CB 3.47Å; L1461-A1531 VanDerWaalsContact CG-CB 3.47Å; L1461-V1533 PolarHBondContact N-O 3.17Å; L1461-V1534 HydrophobicContact CB-CG2 4.33Å; L1461-V1534 HydrophobicContact CD1-CG2 4.23Å; L1461-V1534 HydrophobicContact CG-CG2 4.48Å; L1461-V1534 WeakPolarHBondContact O-CA 3.34Å; L1461-I1535 PolarHBondContact O-N 3.41Å; L1461-A1553 HydrophobicContact CD1-CB 4.01Å |
| 1462 | I | 91.8 | Very high | 77.9 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 115.7 | 175.6 | -56.7 | 177.8 | 0 | 0 | 0 | 108.8 | L1433 I1473 L1514 L1515 L1516 L1517 I1535 F1537 | L1433-I1462 HydrophobicContact CD1-CD1 4.21Å; I1462-I1473 HydrophobicContact CG2-CD1 4.33Å; I1462-L1514 HydrophobicContact CD1-CD1 4.29Å; I1462-L1514 HydrophobicContact CD1-CD2 4.33Å; I1462-L1515 PolarHBondContact N-O 2.95Å; I1462-L1516 HydrophobicContact CB-CD2 3.81Å; I1462-L1516 HydrophobicContact CD1-CD2 3.79Å; I1462-L1516 HydrophobicContact CG1-CD2 4.18Å; I1462-L1516 HydrophobicContact CG2-CD2 4.38Å; I1462-L1517 PolarHBondContact O-N 3.41Å; I1462-I1535 WeakPolarHBondContact CA-O 3.39Å; I1462-I1535 HydrophobicContact CG1-CB 4.45Å; I1462-F1537 HydrophobicContact CG2-CB 4.42Å |
| 1463 | F | 90.9 | Very high | 79.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 122.9 | 177.1 | -70.2 | -70.4 | 0 | 0 | 0 | 111.3 | L1461 L1517 V1534 I1535 F1536 F1537 A1549 | L1461-F1463 HydrophobicContact CB-CE2 4.03Å; L1461-F1463 HydrophobicContact CB-CZ 4.4Å; L1461-F1463 HydrophobicContact CD1-CE2 4.32Å; L1461-F1463 HydrophobicContact CD1-CZ 4.25Å; F1463-L1517 WeakPolarHBondContact CA-O 3.34Å; F1463-L1517 HydrophobicContact CD1-CB 3.79Å; F1463-L1517 HydrophobicContact CD1-CD1 4.4Å; F1463-L1517 HydrophobicContact CE1-CB 3.74Å; F1463-L1517 HydrophobicContact CE1-CD1 3.93Å; F1463-L1517 HydrophobicContact CE1-CD2 4.19Å; F1463-L1517 HydrophobicContact CE1-CG 4.19Å; F1463-L1517 HydrophobicContact CZ-CD1 4.22Å; F1463-V1534 HydrophobicContact CD2-CG1 3.66Å; F1463-V1534 HydrophobicContact CE2-CG1 3.61Å; F1463-I1535 PolarHBondContact N-O 2.82Å; F1463-F1536 HydrophobicContact CB-CD1 3.69Å; F1463-F1536 HydrophobicContact CB-CE1 3.85Å; F1463-F1536 HydrophobicContact CD2-CD1 4.22Å; F1463-F1536 AromaticContact CD2-CE1 3.75Å; F1463-F1536 HydrophobicContact CD2-CE1 3.75Å; F1463-F1536 AromaticContact CD2-CZ 3.91Å; F1463-F1536 HydrophobicContact CD2-CZ 3.91Å; F1463-F1536 HydrophobicContact CE2-CZ 4.4Å; F1463-F1536 HydrophobicContact CG-CD1 4.25Å; F1463-F1536 AromaticContact CG-CE1 3.92Å; F1463-F1536 HydrophobicContact CG-CE1 3.92Å; F1463-F1537 PolarHBondContact O-N 3.25Å; F1463-A1549 HydrophobicContact CD1-CB 4.17Å; F1463-A1549 HydrophobicContact CD2-CB 4.49Å; F1463-A1549 HydrophobicContact CE1-CB 3.85Å; F1463-A1549 HydrophobicContact CE2-CB 4.18Å; F1463-A1549 HydrophobicContact CG-CB 4.5Å; F1463-A1549 HydrophobicContact CZ-CB 3.85Å |
| 1464 | C | 90.3 | Very high | 81.7 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 146.9 | 174.2 | -56 | 0 | 0 | 0 | 0 | 110.8 | V1469 L1517 T1518 T1519 | C1464-V1469 HydrophobicContact CB-CB 4.44Å; C1464-V1469 HydrophobicContact CB-CG1 4.27Å; C1464-L1517 PolarHBondContact N-O 3.06Å; C1464-T1518 CarbonylContact O-C 3.53Å; C1464-T1518 WeakPolarHBondContact O-CA 3.26Å; C1464-T1519 PolarHBondContact O-N 3.12Å; C1464-T1519 PolarHBondContact O-OG1 2.95Å |
| 1465 | Q | 87.1 | Confident | 83.3 | Confident | 27 Ų | 27 | 31.9 Ų | 31.9 | 13% | 0.126 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -79.7 | -37.1 | 173.5 | -66.4 | -66 | -23.1 | 0 | 0 | 111.8 | T1519 D1538 | Q1465-T1519 VanDerWaalsContact NE2-CB 3.34Å; Q1465-T1519 PolarHBondContact NE2-OG1 3.21Å; Q1465-T1519 VanDerWaalsContact NE2-OG1 3.16Å; Q1465-D1538 HydrophobicContact CB-CB 4.38Å; Q1465-D1538 HydrophobicContact CG-CB 4.06Å |
| 1466 | F | 85.4 | Confident | 84.4 | Confident | 26 Ų | 26 | 27 Ų | 27 | 11% | 0.114 | 14% | 0.141 | C | C | . | . | trans | -103.5 | 132.7 | -174.8 | -54.2 | -70.8 | 0 | 0 | 0 | 112.4 | H1380 R1383 K1384 S1468 V1469 L1470 | H1380-F1466 AromaticContact CE1-CE1 3.41Å; H1380-F1466 VanDerWaalsContact CE1-CE1 3.41Å; H1380-F1466 WeakPolarHBondContact CE1-CE1 3.05Å; H1380-F1466 AromaticContact ND1-CE1 3.63Å; R1383-F1466 HydrophobicContact CB-CE2 4Å; R1383-F1466 HydrophobicContact CB-CZ 4.01Å; K1384-F1466 HydrophobicContact CG-CE2 4.45Å; F1466-S1468 PolarHBondContact O-N 3.48Å; F1466-V1469 HydrophobicContact CB-CB 4.38Å; F1466-V1469 HydrophobicContact CB-CG2 3.9Å; F1466-V1469 HydrophobicContact CD2-CG2 4.13Å; F1466-V1469 PolarHBondContact O-N 2.78Å; F1466-L1470 PolarHBondContact O-N 3.48Å | ||
| 1467 | K | 84.6 | Confident | 85.4 | Confident | 95 Ų | 95 | 26.4 Ų | 26.4 | 41% | 0.413 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -59.9 | -30.9 | 172.2 | -65.8 | -178.6 | -178.3 | 179.3 | 0 | 112.7 | L1470 N1471 T1518 | K1467-L1470 PolarHBondContact O-N 2.89Å; K1467-N1471 VanDerWaalsContact O-CG 3.25Å; K1467-N1471 PolarHBondContact O-N 3.04Å; K1467-N1471 PolarHBondContact O-OD1 2.87Å; K1467-T1518 HydrophobicContact CG-CG2 4.11Å |
| 1468 | S | 84.3 | Confident | 85.9 | Confident | 38 Ų | 38 | 28.5 Ų | 28.5 | 27% | 0.266 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -67.5 | -36.9 | 178.4 | 57.8 | 0 | 0 | 0 | 0 | 112.5 | F1466 N1471 L1472 | F1466-S1468 PolarHBondContact O-N 3.48Å; S1468-N1471 PolarHBondContact O-N 3.35Å; S1468-L1472 WeakPolarHBondContact O-CB 3.1Å; S1468-L1472 PolarHBondContact O-N 2.93Å |
| 1469 | V | 86.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 172.1 | 176 | 0 | 0 | 0 | 0 | 109.7 | L1391 C1464 F1466 N1471 L1472 I1473 F1537 | L1391-V1469 HydrophobicContact CD1-CB 4.46Å; L1391-V1469 HydrophobicContact CD1-CG2 3.39Å; C1464-V1469 HydrophobicContact CB-CB 4.44Å; C1464-V1469 HydrophobicContact CB-CG1 4.27Å; F1466-V1469 HydrophobicContact CB-CB 4.38Å; F1466-V1469 HydrophobicContact CB-CG2 3.9Å; F1466-V1469 HydrophobicContact CD2-CG2 4.13Å; F1466-V1469 PolarHBondContact O-N 2.78Å; V1469-N1471 VanDerWaalsContact C-N 3.33Å; V1469-N1471 PolarHBondContact O-N 2.92Å; V1469-L1472 WeakPolarHBondContact O-CB 3.47Å; V1469-L1472 PolarHBondContact O-N 3.3Å; V1469-L1472 VanDerWaalsContact O-N 3.09Å; V1469-I1473 HydrophobicContact CG1-CD1 3.87Å; V1469-I1473 HydrophobicContact CG1-CG1 4.38Å; V1469-I1473 WeakPolarHBondContact O-CG1 3.4Å; V1469-I1473 PolarHBondContact O-N 2.89Å; V1469-F1537 HydrophobicContact CG1-CD1 3.57Å; V1469-F1537 HydrophobicContact CG1-CE1 3.48Å; V1469-F1537 VanDerWaalsContact CG1-CE1 3.48Å; V1469-F1537 HydrophobicContact CG1-CG 4.4Å; V1469-F1537 HydrophobicContact CG1-CZ 4.25Å |
| 1470 | L | 86.9 | Confident | 84.9 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -38.3 | 179.1 | -164.1 | 143.9 | 0 | 0 | 0 | 112.3 | F1466 K1467 A1474 R1489 L1516 T1518 | F1466-L1470 PolarHBondContact O-N 3.48Å; K1467-L1470 PolarHBondContact O-N 2.89Å; L1470-A1474 WeakPolarHBondContact O-CB 3.37Å; L1470-A1474 PolarHBondContact O-N 3.48Å; L1470-R1489 VanDerWaalsContact CD2-CD 3.44Å; L1470-R1489 HydrophobicContact CD2-CG 3.63Å; L1470-L1516 HydrophobicContact CD1-CB 3.89Å; L1470-L1516 HydrophobicContact CD2-CB 4.19Å; L1470-L1516 HydrophobicContact CD2-CD1 4.46Å; L1470-L1516 HydrophobicContact CG-CB 3.94Å; L1470-L1516 HydrophobicContact CG-CD1 4.44Å; L1470-T1518 HydrophobicContact CD1-CG2 4.22Å |
| 1471 | N | 86.6 | Confident | 83.8 | Confident | 76 Ų | 76 | 33.4 Ų | 33.4 | 41% | 0.406 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.9 | -43 | 171 | -70.4 | -13.6 | 0 | 0 | 0 | 111.8 | K1467 S1468 V1469 A1474 Q1475 R1489 | K1467-N1471 VanDerWaalsContact O-CG 3.25Å; K1467-N1471 PolarHBondContact O-N 3.04Å; K1467-N1471 PolarHBondContact O-OD1 2.87Å; S1468-N1471 PolarHBondContact O-N 3.35Å; V1469-N1471 VanDerWaalsContact C-N 3.33Å; V1469-N1471 PolarHBondContact O-N 2.92Å; N1471-A1474 PolarHBondContact O-N 3.48Å; N1471-Q1475 WeakPolarHBondContact O-CB 3.48Å; N1471-Q1475 PolarHBondContact O-N 2.99Å; N1471-R1489 PolarHBondContact OD1-NH1 3.18Å; N1471-R1489 PolarHBondContact OD1-NH2 3.02Å |
| 1472 | L | 83.8 | Confident | 82.6 | Confident | 10 Ų | 10 | 34 Ų | 34 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 179.6 | -177.7 | 65.3 | 0 | 0 | 0 | 111.2 | H1388 M1430 S1468 V1469 A1474 Q1475 L1476 | H1388-L1472 HydrophobicContact CB-CD2 3.53Å; H1388-L1472 VanDerWaalsContact CG-CD2 3.46Å; M1430-L1472 HydrophobicContact CE-CD2 4.1Å; M1430-L1472 HydrophobicContact CE-CG 4.33Å; S1468-L1472 WeakPolarHBondContact O-CB 3.1Å; S1468-L1472 PolarHBondContact O-N 2.93Å; V1469-L1472 WeakPolarHBondContact O-CB 3.47Å; V1469-L1472 PolarHBondContact O-N 3.3Å; V1469-L1472 VanDerWaalsContact O-N 3.09Å; L1472-A1474 VanDerWaalsContact C-N 3.34Å; L1472-A1474 PolarHBondContact O-N 3.23Å; L1472-Q1475 PolarHBondContact O-N 3.3Å; L1472-L1476 HydrophobicContact CD1-CD1 4.44Å; L1472-L1476 HydrophobicContact CD1-CG 4.49Å; L1472-L1476 HydrophobicContact CG-CD1 4.09Å; L1472-L1476 VanDerWaalsContact O-CG 3.24Å; L1472-L1476 WeakPolarHBondContact O-CG 3.45Å; L1472-L1476 PolarHBondContact O-N 3.04Å |
| 1473 | I | 85.7 | Confident | 81.4 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 176.2 | -67.2 | 170.7 | 0 | 0 | 0 | 110.3 | M1430 L1433 I1462 V1469 Q1475 L1476 I1477 L1516 F1537 | M1430-I1473 HydrophobicContact CE-CG1 4.03Å; M1430-I1473 HydrophobicContact SD-CG1 4.35Å; L1433-I1473 HydrophobicContact CD2-CD1 4.25Å; L1433-I1473 HydrophobicContact CD2-CG1 4.42Å; I1462-I1473 HydrophobicContact CG2-CD1 4.33Å; V1469-I1473 HydrophobicContact CG1-CD1 3.87Å; V1469-I1473 HydrophobicContact CG1-CG1 4.38Å; V1469-I1473 WeakPolarHBondContact O-CG1 3.4Å; V1469-I1473 PolarHBondContact O-N 2.89Å; I1473-Q1475 PolarHBondContact O-N 3.02Å; I1473-L1476 PolarHBondContact O-N 2.82Å; I1473-I1477 HydrophobicContact CG2-CD1 3.8Å; I1473-I1477 HydrophobicContact CG2-CG1 4.41Å; I1473-I1477 VanDerWaalsContact O-CG1 3.27Å; I1473-I1477 WeakPolarHBondContact O-CG1 3.49Å; I1473-I1477 PolarHBondContact O-N 3.18Å; I1473-L1516 HydrophobicContact CG2-CD1 4.18Å; I1473-L1516 HydrophobicContact CG2-CD2 3.97Å; I1473-F1537 HydrophobicContact CD1-CD2 4.2Å; I1473-F1537 HydrophobicContact CD1-CE2 4.45Å; I1473-F1537 HydrophobicContact CD1-CG 4.35Å |
| 1474 | A | 85.2 | Confident | 80.3 | Confident | 10 Ų | 10 | 41.7 Ų | 41.7 | 8% | 0.083 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.8 | -45.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1470 N1471 L1472 L1476 I1477 D1478 F1487 L1516 | L1470-A1474 WeakPolarHBondContact O-CB 3.37Å; L1470-A1474 PolarHBondContact O-N 3.48Å; N1471-A1474 PolarHBondContact O-N 3.48Å; L1472-A1474 VanDerWaalsContact C-N 3.34Å; L1472-A1474 PolarHBondContact O-N 3.23Å; A1474-L1476 VanDerWaalsContact C-N 3.34Å; A1474-L1476 PolarHBondContact O-N 3.39Å; A1474-I1477 PolarHBondContact O-N 3.44Å; A1474-D1478 PolarHBondContact O-N 3.21Å; A1474-F1487 HydrophobicContact CB-CE2 3.84Å; A1474-F1487 HydrophobicContact CB-CZ 3.91Å; A1474-L1516 HydrophobicContact CB-CD1 4.2Å |
| 1475 | Q | 83.5 | Confident | 79.6 | Confident | 92 Ų | 92 | 42.4 Ų | 42.4 | 43% | 0.43 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.5 | -39 | 177 | -174.7 | -178.7 | -7.8 | 0 | 0 | 112.4 | N1471 L1472 I1473 D1478 N1479 | N1471-Q1475 WeakPolarHBondContact O-CB 3.48Å; N1471-Q1475 PolarHBondContact O-N 2.99Å; L1472-Q1475 PolarHBondContact O-N 3.3Å; I1473-Q1475 PolarHBondContact O-N 3.02Å; Q1475-D1478 PolarHBondContact O-N 3.36Å; Q1475-N1479 WeakPolarHBondContact O-CB 3.48Å; Q1475-N1479 PolarHBondContact O-N 3.38Å; Q1475-N1479 PolarHBondContact O-ND2 3.04Å; Q1475-N1479 PolarHBondContact O-OD1 3.23Å |
| 1476 | L | 80.6 | Confident | 79.3 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.1 | -31.6 | 178.1 | -68.2 | 170.6 | 0 | 0 | 0 | 112.7 | C1422 V1424 M1430 L1472 I1473 A1474 I1481 F1482 | C1422-L1476 WeakPolarHBondContact O-CD2 3.35Å; V1424-L1476 HydrophobicContact CG2-CD1 4.28Å; V1424-L1476 HydrophobicContact CG2-CD2 4.09Å; M1430-L1476 HydrophobicContact CE-CD1 3.39Å; M1430-L1476 HydrophobicContact CG-CD1 3.84Å; M1430-L1476 HydrophobicContact SD-CD1 3.66Å; L1472-L1476 HydrophobicContact CD1-CD1 4.44Å; L1472-L1476 HydrophobicContact CD1-CG 4.49Å; L1472-L1476 HydrophobicContact CG-CD1 4.09Å; L1472-L1476 VanDerWaalsContact O-CG 3.24Å; L1472-L1476 WeakPolarHBondContact O-CG 3.45Å; L1472-L1476 PolarHBondContact O-N 3.04Å; I1473-L1476 PolarHBondContact O-N 2.82Å; A1474-L1476 VanDerWaalsContact C-N 3.34Å; A1474-L1476 PolarHBondContact O-N 3.39Å; L1476-I1481 HydrophobicContact CD2-CD1 3.55Å; L1476-I1481 PolarHBondContact O-N 3.28Å; L1476-F1482 HydrophobicContact CB-CD2 4.29Å; L1476-F1482 HydrophobicContact CB-CE2 3.63Å |
| 1477 | I | 81.6 | Confident | 79.3 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.4 | -47.1 | 170.9 | -65.1 | 163.6 | 0 | 0 | 0 | 109.8 | I1473 A1474 N1479 G1480 F1482 V1485 F1487 L1514 L1516 | I1473-I1477 HydrophobicContact CG2-CD1 3.8Å; I1473-I1477 HydrophobicContact CG2-CG1 4.41Å; I1473-I1477 VanDerWaalsContact O-CG1 3.27Å; I1473-I1477 WeakPolarHBondContact O-CG1 3.49Å; I1473-I1477 PolarHBondContact O-N 3.18Å; A1474-I1477 PolarHBondContact O-N 3.44Å; I1477-N1479 VanDerWaalsContact C-N 3.26Å; I1477-N1479 PolarHBondContact O-N 2.96Å; I1477-G1480 PolarHBondContact O-N 2.9Å; I1477-F1482 HydrophobicContact CG1-CD2 3.71Å; I1477-F1482 HydrophobicContact CG1-CE2 4.25Å; I1477-V1485 HydrophobicContact CG2-CB 4.41Å; I1477-F1487 HydrophobicContact CB-CD1 4.22Å; I1477-F1487 HydrophobicContact CB-CE1 4.14Å; I1477-F1487 HydrophobicContact CD1-CB 4.49Å; I1477-F1487 HydrophobicContact CD1-CD1 4.22Å; I1477-F1487 HydrophobicContact CD1-CG 4.24Å; I1477-F1487 HydrophobicContact CG2-CD1 3.52Å; I1477-F1487 HydrophobicContact CG2-CE1 3.73Å; I1477-F1487 HydrophobicContact CG2-CG 4.49Å; I1477-L1514 HydrophobicContact CD1-CD1 4.12Å; I1477-L1516 HydrophobicContact CD1-CD1 4.26Å; I1477-L1516 HydrophobicContact CD1-CD2 4.49Å |
| 1478 | D | 79.7 | Confident | 79.5 | Confident | 119 Ų | 119 | 41.5 Ų | 41.5 | 64% | 0.636 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -61.9 | -33.4 | 178.3 | -70.7 | -25.2 | 0 | 0 | 0 | 112.5 | A1474 Q1475 G1480 F1487 | A1474-D1478 PolarHBondContact O-N 3.21Å; Q1475-D1478 PolarHBondContact O-N 3.36Å; D1478-G1480 PolarHBondContact O-N 2.86Å; D1478-F1487 WeakPolarHBondContact OD1-CE1 3.49Å |
| 1479 | N | 77.4 | Confident | 79.6 | Confident | 98 Ų | 98 | 43.7 Ų | 43.7 | 52% | 0.524 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -3.9 | 174.1 | -71.3 | -10.2 | 0 | 0 | 0 | 113.8 | Q1475 I1477 I1481 | Q1475-N1479 WeakPolarHBondContact O-CB 3.48Å; Q1475-N1479 PolarHBondContact O-N 3.38Å; Q1475-N1479 PolarHBondContact O-ND2 3.04Å; Q1475-N1479 PolarHBondContact O-OD1 3.23Å; I1477-N1479 VanDerWaalsContact C-N 3.26Å; I1477-N1479 PolarHBondContact O-N 2.96Å; N1479-I1481 VanDerWaalsContact C-N 3.33Å; N1479-I1481 HydrophobicContact CB-CD1 4.09Å; N1479-I1481 HydrophobicContact CB-CG1 4.14Å; N1479-I1481 PolarHBondContact O-N 3.22Å |
| 1480 | G | 70.2 | Confident | 79.4 | Confident | 43 Ų | 43 | 43.7 Ų | 43.7 | 44% | 0.443 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 12.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | I1477 D1478 F1482 G1483 | I1477-G1480 PolarHBondContact O-N 2.9Å; D1478-G1480 PolarHBondContact O-N 2.86Å; G1480-F1482 VanDerWaalsContact C-N 3.28Å; G1480-F1482 PolarHBondContact O-N 2.77Å; G1480-G1483 PolarHBondContact O-N 2.78Å; G1480-G1483 VanDerWaalsContact O-N 3.1Å |
| 1481 | I | 66.4 | Low | 79.2 | Confident | 55 Ų | 55 | 43.7 Ų | 43.7 | 28% | 0.282 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -28.7 | -175.1 | -59.3 | 167 | 0 | 0 | 0 | 112 | V1424 L1476 N1479 | V1424-I1481 HydrophobicContact CB-CG2 4.4Å; V1424-I1481 HydrophobicContact CG2-CB 4.46Å; V1424-I1481 HydrophobicContact CG2-CD1 4.16Å; V1424-I1481 HydrophobicContact CG2-CG2 3.6Å; L1476-I1481 HydrophobicContact CD2-CD1 3.55Å; L1476-I1481 PolarHBondContact O-N 3.28Å; N1479-I1481 VanDerWaalsContact C-N 3.33Å; N1479-I1481 HydrophobicContact CB-CD1 4.09Å; N1479-I1481 HydrophobicContact CB-CG1 4.14Å; N1479-I1481 PolarHBondContact O-N 3.22Å |
| 1482 | F | 67.4 | Low | 78.7 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 5% | 0.053 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 6.3 | 174.2 | -60.7 | -72.2 | 0 | 0 | 0 | 113.2 | M1430 L1433 K1434 L1437 G1443 L1476 I1477 G1480 | M1430-F1482 HydrophobicContact CG-CZ 4.23Å; M1430-F1482 HydrophobicContact SD-CZ 3.82Å; L1433-F1482 HydrophobicContact CD2-CE1 4.49Å; L1433-F1482 HydrophobicContact CD2-CZ 4.17Å; L1433-F1482 HydrophobicContact CG-CE1 4.37Å; K1434-F1482 HydrophobicContact CB-CD1 4.06Å; K1434-F1482 HydrophobicContact CB-CE1 3.74Å; K1434-F1482 HydrophobicContact CG-CD1 4.11Å; K1434-F1482 HydrophobicContact CG-CE1 4.26Å; L1437-F1482 HydrophobicContact CD1-CD1 3.91Å; L1437-F1482 HydrophobicContact CD1-CE1 4.27Å; L1437-F1482 HydrophobicContact CD1-CG 4.34Å; G1443-F1482 WeakPolarHBondContact CA-O 3.39Å; L1476-F1482 HydrophobicContact CB-CD2 4.29Å; L1476-F1482 HydrophobicContact CB-CE2 3.63Å; I1477-F1482 HydrophobicContact CG1-CD2 3.71Å; I1477-F1482 HydrophobicContact CG1-CE2 4.25Å; G1480-F1482 VanDerWaalsContact C-N 3.28Å; G1480-F1482 PolarHBondContact O-N 2.77Å |
| 1483 | G | 66.3 | Low | 78.5 | Confident | 22 Ų | 22 | 46.1 Ų | 46.1 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | trans | 86.9 | -171.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1480 V1485 | G1480-G1483 PolarHBondContact O-N 2.78Å; G1480-G1483 VanDerWaalsContact O-N 3.1Å; G1483-V1485 PolarHBondContact O-N 3Å | ||
| 1484 | I | 67 | Low | 78.2 | Confident | 141 Ų | 141 | 47.3 Ų | 47.3 | 72% | 0.723 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -80.5 | 98.2 | 177.5 | -56.7 | 172.1 | 0 | 0 | 0 | 107.9 | ||
| 1485 | V | 75 | Confident | 77.5 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | trans | -125.6 | 129.3 | -178.3 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | I1442 I1477 G1483 D1513 L1514 | I1442-V1485 HydrophobicContact CG2-CG1 3.77Å; I1442-V1485 HydrophobicContact CG2-CG2 4.13Å; I1477-V1485 HydrophobicContact CG2-CB 4.41Å; G1483-V1485 PolarHBondContact O-N 3Å; V1485-D1513 HydrophobicContact CG1-CB 3.76Å; V1485-L1514 HydrophobicContact CG1-CB 4.46Å; V1485-L1514 HydrophobicContact CG1-CD1 3.5Å; V1485-L1514 HydrophobicContact CG1-CG 3.63Å | ||
| 1486 | S | 81.1 | Confident | 76.8 | Confident | 43 Ų | 43 | 52.6 Ų | 52.6 | 30% | 0.301 | 31% | 0.306 | S | S | . | . | trans | -85.7 | 131.5 | 173.8 | 57.4 | 0 | 0 | 0 | 0 | 109.8 | S1511 I1512 D1513 L1514 | S1486-S1511 WeakPolarHBondContact CB-O 3.47Å; S1486-S1511 PolarHBondContact OG-O 3.2Å; S1486-I1512 VanDerWaalsContact OG-CA 3.26Å; S1486-I1512 WeakPolarHBondContact OG-CA 2.73Å; S1486-D1513 PolarHBondContact N-OD2 3.23Å; S1486-D1513 PolarHBondContact O-N 3.43Å; S1486-D1513 PolarHBondContact OG-N 2.86Å; S1486-D1513 PolarHBondContact OG-OD2 3.22Å; S1486-L1514 PolarHBondContact O-N 2.91Å | ||
| 1487 | F | 86.6 | Confident | 76.2 | Confident | 54 Ų | 54 | 57 Ų | 57 | 24% | 0.237 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 150 | 179.2 | 75 | -82.7 | 0 | 0 | 0 | 113.1 | A1474 I1477 D1478 L1514 L1516 | A1474-F1487 HydrophobicContact CB-CE2 3.84Å; A1474-F1487 HydrophobicContact CB-CZ 3.91Å; I1477-F1487 HydrophobicContact CB-CD1 4.22Å; I1477-F1487 HydrophobicContact CB-CE1 4.14Å; I1477-F1487 HydrophobicContact CD1-CB 4.49Å; I1477-F1487 HydrophobicContact CD1-CD1 4.22Å; I1477-F1487 HydrophobicContact CD1-CG 4.24Å; I1477-F1487 HydrophobicContact CG2-CD1 3.52Å; I1477-F1487 HydrophobicContact CG2-CE1 3.73Å; I1477-F1487 HydrophobicContact CG2-CG 4.49Å; D1478-F1487 WeakPolarHBondContact OD1-CE1 3.49Å; F1487-L1514 CarbonylContact C-O 3.54Å; F1487-L1514 VanDerWaalsContact CA-O 3.23Å; F1487-L1514 WeakPolarHBondContact CA-O 3.42Å; F1487-L1514 HydrophobicContact CB-CB 3.83Å; F1487-L1516 HydrophobicContact CD2-CD1 3.69Å; F1487-L1516 HydrophobicContact CD2-CG 4.14Å; F1487-L1516 HydrophobicContact CE2-CD1 4.02Å; F1487-L1516 HydrophobicContact CG-CD1 4.5Å |
| 1488 | L | 87.3 | Confident | 75.9 | Confident | 31 Ų | 31 | 64.1 Ų | 64.1 | 16% | 0.162 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 155.3 | 166.2 | -72.1 | 177.1 | 0 | 0 | 0 | 109.7 | I1502 R1505 F1506 I1512 L1514 L1515 L1516 | L1488-I1502 HydrophobicContact CD1-CG2 4.19Å; L1488-R1505 HydrophobicContact CD1-CG 4.48Å; L1488-F1506 HydrophobicContact CD1-CB 4.36Å; L1488-I1512 HydrophobicContact CB-CG2 4.46Å; L1488-I1512 HydrophobicContact CD1-CD1 3.42Å; L1488-I1512 VanDerWaalsContact CD1-CD1 3.42Å; L1488-I1512 HydrophobicContact CD1-CG2 4.04Å; L1488-I1512 HydrophobicContact CD2-CD1 4.39Å; L1488-I1512 HydrophobicContact CG-CD1 3.85Å; L1488-I1512 HydrophobicContact CG-CG2 3.87Å; L1488-L1514 PolarHBondContact N-O 3.38Å; L1488-L1515 HydrophobicContact CB-CD1 3.46Å; L1488-L1515 VanDerWaalsContact CB-CD1 3.46Å; L1488-L1515 WeakPolarHBondContact O-CA 3.25Å; L1488-L1516 PolarHBondContact O-N 3.09Å |
| 1489 | R | 86.5 | Confident | 75.9 | Confident | 84 Ų | 84 | 60.3 Ų | 60.3 | 32% | 0.317 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 129.5 | 179.8 | 167.3 | 174 | 174.4 | 162.2 | 6.8 | 110.6 | L1470 N1471 D1491 | L1470-R1489 VanDerWaalsContact CD2-CD 3.44Å; L1470-R1489 HydrophobicContact CD2-CG 3.63Å; N1471-R1489 PolarHBondContact OD1-NH1 3.18Å; N1471-R1489 PolarHBondContact OD1-NH2 3.02Å; R1489-D1491 IonicContact CZ-OD2 2.71Å; R1489-D1491 IonicContact NE-OD2 3.26Å; R1489-D1491 PolarHBondContact NE-OD2 3.04Å; R1489-D1491 IonicContact NH2-OD2 2.89Å; R1489-D1491 PolarHBondContact NH2-OD2 3.24Å |
| 1490 | L | 83.6 | Confident | 75.7 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 97.5 | 177.7 | -164.6 | 130.3 | 0 | 0 | 0 | 110.3 | R1499 I1502 L1515 L1516 L1517 T1518 V1521 L1526 | L1490-R1499 HydrophobicContact CD1-CB 4.17Å; L1490-R1499 HydrophobicContact CD1-CG 4.3Å; L1490-I1502 HydrophobicContact CD1-CB 3.91Å; L1490-I1502 HydrophobicContact CD1-CD1 4.25Å; L1490-I1502 HydrophobicContact CD1-CG2 3.72Å; L1490-L1515 HydrophobicContact CB-CD1 4.3Å; L1490-L1516 PolarHBondContact N-O 2.82Å; L1490-L1517 HydrophobicContact CB-CD2 4.32Å; L1490-L1517 HydrophobicContact CB-CG 4.39Å; L1490-L1517 HydrophobicContact CD2-CD2 3.89Å; L1490-L1517 WeakPolarHBondContact O-CA 3.32Å; L1490-T1518 PolarHBondContact O-N 3.15Å; L1490-V1521 HydrophobicContact CD2-CB 4.18Å; L1490-V1521 HydrophobicContact CD2-CG1 3.2Å; L1490-V1521 HydrophobicContact CG-CG1 4.25Å; L1490-L1526 HydrophobicContact CD1-CD1 4.19Å; L1490-L1526 HydrophobicContact CD2-CD1 3.78Å |
| 1491 | D | 82.3 | Confident | 76.1 | Confident | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.011 | 35% | 0.352 | C | S | . | . | trans | -122 | 177.6 | 178 | 73.1 | 23.3 | 0 | 0 | 0 | 112.3 | R1489 T1493 V1494 T1518 | R1489-D1491 IonicContact CZ-OD2 2.71Å; R1489-D1491 IonicContact NE-OD2 3.26Å; R1489-D1491 PolarHBondContact NE-OD2 3.04Å; R1489-D1491 IonicContact NH2-OD2 2.89Å; R1489-D1491 PolarHBondContact NH2-OD2 3.24Å; D1491-T1493 PolarHBondContact O-N 3.47Å; D1491-T1493 VanDerWaalsContact O-N 3.1Å; D1491-T1493 WeakPolarHBondContact OD1-CA 3.31Å; D1491-T1493 WeakPolarHBondContact OD1-CB 3.2Å; D1491-T1493 PolarHBondContact OD1-N 2.95Å; D1491-T1493 PolarHBondContact OD1-OG1 3.07Å; D1491-V1494 WeakPolarHBondContact O-CB 3.43Å; D1491-V1494 PolarHBondContact O-N 2.77Å; D1491-V1494 VanDerWaalsContact O-N 3.15Å; D1491-T1518 HydrophobicContact CB-CG2 4.02Å | ||
| 1492 | G | 75.4 | Confident | 76.9 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 36% | 0.361 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -12.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | R1499 | G1492-R1499 PolarHBondContact O-NH2 2.97Š|
| 1493 | T | 79 | Confident | 77.6 | Confident | 102 Ų | 102 | 64.3 Ų | 64.3 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -19.9 | 177.5 | 70.5 | 0 | 0 | 0 | 0 | 112.6 | D1491 Q1495 | D1491-T1493 PolarHBondContact O-N 3.47Å; D1491-T1493 VanDerWaalsContact O-N 3.1Å; D1491-T1493 WeakPolarHBondContact OD1-CA 3.31Å; D1491-T1493 WeakPolarHBondContact OD1-CB 3.2Å; D1491-T1493 PolarHBondContact OD1-N 2.95Å; D1491-T1493 PolarHBondContact OD1-OG1 3.07Å; T1493-Q1495 PolarHBondContact O-N 2.93Å |
| 1494 | V | 79.3 | Confident | 78.3 | Confident | 26 Ų | 26 | 68.1 Ų | 68.1 | 16% | 0.158 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -69.1 | 126.4 | 175.2 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | D1491 R1498 R1499 I1502 | D1491-V1494 WeakPolarHBondContact O-CB 3.43Å; D1491-V1494 PolarHBondContact O-N 2.77Å; D1491-V1494 VanDerWaalsContact O-N 3.15Å; V1494-R1498 HydrophobicContact CG1-CB 4.01Å; V1494-R1499 HydrophobicContact CB-CG 4.36Å; V1494-R1499 HydrophobicContact CG1-CG 3.98Å; V1494-R1499 PolarHBondContact O-NE 3.4Å; V1494-R1499 PolarHBondContact O-NH2 3.41Å; V1494-I1502 HydrophobicContact CG1-CD1 3.83Å |
| 1495 | Q | 71.3 | Confident | 79.1 | Confident | 146 Ų | 146 | 68.2 Ų | 68.2 | 68% | 0.682 | 35% | 0.348 | S | S | * | . | trans | -59.6 | 143.4 | 176.4 | -65.5 | -177.7 | 6.2 | 0 | 0 | 111.3 | T1493 S1497 R1498 R1499 | T1493-Q1495 PolarHBondContact O-N 2.93Å; Q1495-S1497 VanDerWaalsContact C-N 3.29Å; Q1495-S1497 PolarHBondContact O-N 2.9Å; Q1495-R1498 PolarHBondContact O-N 3.44Å; Q1495-R1499 PolarHBondContact O-N 3.29Å | ||
| 1496 | A | 67.9 | Low | 79.6 | Confident | 66 Ų | 66 | 67.5 Ų | 67.5 | 55% | 0.545 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.1 | -37.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114 | R1498 R1499 | A1496-R1498 VanDerWaalsContact C-N 3.33Å; A1496-R1498 PolarHBondContact O-N 3.05Å; A1496-R1499 PolarHBondContact O-N 3.37Å |
| 1497 | S | 69 | Low | 79.7 | Confident | 95 Ų | 95 | 67.8 Ų | 67.8 | 66% | 0.664 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.8 | -40.7 | 176.9 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | Q1495 R1499 | Q1495-S1497 VanDerWaalsContact C-N 3.29Å; Q1495-S1497 PolarHBondContact O-N 2.9Å; S1497-R1499 VanDerWaalsContact C-N 3.34Å; S1497-R1499 PolarHBondContact O-N 3.37Å |
| 1498 | R | 76 | Confident | 79.5 | Confident | 157 Ų | 157 | 71.5 Ų | 71.5 | 59% | 0.592 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -76.6 | -18.9 | -177.6 | -130.3 | 178 | -173.7 | 177.7 | 1.7 | 113.5 | V1494 Q1495 A1496 Q1500 E1501 I1502 | V1494-R1498 HydrophobicContact CG1-CB 4.01Å; Q1495-R1498 PolarHBondContact O-N 3.44Å; A1496-R1498 VanDerWaalsContact C-N 3.33Å; A1496-R1498 PolarHBondContact O-N 3.05Å; R1498-Q1500 VanDerWaalsContact C-N 3.31Å; R1498-Q1500 PolarHBondContact O-N 2.94Å; R1498-E1501 WeakPolarHBondContact CG-OE2 3.41Å; R1498-E1501 PolarHBondContact O-N 3.16Å; R1498-I1502 WeakPolarHBondContact O-CG1 3.4Å; R1498-I1502 PolarHBondContact O-N 2.63Å |
| 1499 | R | 78.8 | Confident | 79.3 | Confident | 38 Ų | 38 | 72.2 Ų | 72.2 | 14% | 0.143 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.2 | -36.4 | -179.4 | -66.3 | 178.2 | -171.1 | 162.8 | -0.9 | 112 | L1490 G1492 V1494 Q1495 A1496 S1497 A1503 L1526 | L1490-R1499 HydrophobicContact CD1-CB 4.17Å; L1490-R1499 HydrophobicContact CD1-CG 4.3Å; G1492-R1499 PolarHBondContact O-NH2 2.97Å; V1494-R1499 HydrophobicContact CB-CG 4.36Å; V1494-R1499 HydrophobicContact CG1-CG 3.98Å; V1494-R1499 PolarHBondContact O-NE 3.4Å; V1494-R1499 PolarHBondContact O-NH2 3.41Å; Q1495-R1499 PolarHBondContact O-N 3.29Å; A1496-R1499 PolarHBondContact O-N 3.37Å; S1497-R1499 VanDerWaalsContact C-N 3.34Å; S1497-R1499 PolarHBondContact O-N 3.37Å; R1499-A1503 WeakPolarHBondContact O-CB 3.44Å; R1499-A1503 PolarHBondContact O-N 3.04Å; R1499-L1526 HydrophobicContact CB-CD1 4.35Å; R1499-L1526 HydrophobicContact CB-CD2 4.29Å |
| 1500 | Q | 73.3 | Confident | 78.9 | Confident | 139 Ų | 139 | 71.4 Ų | 71.4 | 65% | 0.65 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -71.3 | -39.3 | 178.4 | -168.6 | 163.5 | -9.6 | 0 | 0 | 111.5 | R1498 A1503 Q1504 | R1498-Q1500 VanDerWaalsContact C-N 3.31Å; R1498-Q1500 PolarHBondContact O-N 2.94Å; Q1500-A1503 PolarHBondContact O-N 2.88Å; Q1500-Q1504 WeakPolarHBondContact O-CB 3.37Å; Q1500-Q1504 PolarHBondContact O-N 2.84Å |
| 1501 | E | 78.5 | Confident | 78.6 | Confident | 119 Ų | 119 | 74.6 Ų | 74.6 | 56% | 0.556 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.1 | -45.5 | 172.9 | -173.8 | -170.2 | 174.5 | 0 | 0 | 111.6 | R1498 Q1504 R1505 | R1498-E1501 WeakPolarHBondContact CG-OE2 3.41Å; R1498-E1501 PolarHBondContact O-N 3.16Å; E1501-Q1504 PolarHBondContact O-N 2.93Å; E1501-R1505 WeakPolarHBondContact O-CB 3.22Å; E1501-R1505 PolarHBondContact O-N 2.64Å |
| 1502 | I | 82.9 | Confident | 78.7 | Confident | 29 Ų | 29 | 74.9 Ų | 74.9 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 177.6 | -66.3 | 167.3 | 0 | 0 | 0 | 111.4 | L1488 L1490 V1494 R1498 R1505 F1506 L1515 | L1488-I1502 HydrophobicContact CD1-CG2 4.19Å; L1490-I1502 HydrophobicContact CD1-CB 3.91Å; L1490-I1502 HydrophobicContact CD1-CD1 4.25Å; L1490-I1502 HydrophobicContact CD1-CG2 3.72Å; V1494-I1502 HydrophobicContact CG1-CD1 3.83Å; R1498-I1502 WeakPolarHBondContact O-CG1 3.4Å; R1498-I1502 PolarHBondContact O-N 2.63Å; I1502-R1505 PolarHBondContact O-N 3.13Å; I1502-F1506 WeakPolarHBondContact O-CB 3.37Å; I1502-F1506 PolarHBondContact O-N 3.26Å; I1502-L1515 HydrophobicContact CG2-CD1 4.18Å |
| 1503 | A | 82 | Confident | 79.1 | Confident | 5 Ų | 5 | 74.1 Ų | 74.1 | 4% | 0.041 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1499 Q1500 F1506 N1507 L1526 L1528 | R1499-A1503 WeakPolarHBondContact O-CB 3.44Å; R1499-A1503 PolarHBondContact O-N 3.04Å; Q1500-A1503 PolarHBondContact O-N 2.88Å; A1503-F1506 PolarHBondContact O-N 2.73Å; A1503-N1507 PolarHBondContact O-N 2.78Å; A1503-N1507 PolarHBondContact O-ND2 2.78Å; A1503-L1526 HydrophobicContact CB-CB 4.44Å; A1503-L1526 HydrophobicContact CB-CD2 4.28Å; A1503-L1528 HydrophobicContact CB-CD2 3.99Å |
| 1504 | Q | 81 | Confident | 79.5 | Confident | 103 Ų | 103 | 69.3 Ų | 69.3 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 175.1 | -175.7 | 172.5 | 5.6 | 0 | 0 | 111.1 | Q1500 E1501 F1506 N1507 E1508 | Q1500-Q1504 WeakPolarHBondContact O-CB 3.37Å; Q1500-Q1504 PolarHBondContact O-N 2.84Å; E1501-Q1504 PolarHBondContact O-N 2.93Å; Q1504-F1506 VanDerWaalsContact C-N 3.3Å; Q1504-F1506 PolarHBondContact O-N 3.27Å; Q1504-N1507 PolarHBondContact O-N 3.04Å; Q1504-E1508 HydrophobicContact CG-CG 4.23Å; Q1504-E1508 WeakPolarHBondContact CG-OE1 3.44Å; Q1504-E1508 PolarHBondContact NE2-OE1 3.04Å; Q1504-E1508 WeakPolarHBondContact O-CB 3.46Å; Q1504-E1508 WeakPolarHBondContact O-CG 3.24Å; Q1504-E1508 PolarHBondContact O-N 3.42Å |
| 1505 | R | 83.4 | Confident | 80 | Confident | 143 Ų | 143 | 68 Ų | 68 | 54% | 0.54 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.1 | -42.8 | 175.1 | -175.9 | 176.2 | 177.9 | -179.9 | -1.6 | 111.9 | L1488 E1501 I1502 E1508 D1509 I1512 | L1488-R1505 HydrophobicContact CD1-CG 4.48Å; E1501-R1505 WeakPolarHBondContact O-CB 3.22Å; E1501-R1505 PolarHBondContact O-N 2.64Å; I1502-R1505 PolarHBondContact O-N 3.13Å; R1505-E1508 PolarHBondContact O-N 3.3Å; R1505-D1509 HydrophobicContact CG-CB 4.41Å; R1505-D1509 WeakPolarHBondContact O-CB 3.17Å; R1505-D1509 PolarHBondContact O-N 3.49Å; R1505-I1512 HydrophobicContact CG-CD1 4.08Å |
| 1506 | F | 86.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 174.7 | -178.3 | -101.8 | 0 | 0 | 0 | 111.4 | R1459 L1461 L1488 I1502 A1503 Q1504 E1508 I1512 L1515 L1528 A1531 | R1459-F1506 HydrophobicContact CB-CZ 4.43Å; R1459-F1506 PolarHBondContact NH1-O 2.71Å; R1459-F1506 PolarHBondContact NH2-O 2.89Å; L1461-F1506 HydrophobicContact CD2-CE1 3.71Å; L1461-F1506 HydrophobicContact CD2-CZ 3.73Å; L1488-F1506 HydrophobicContact CD1-CB 4.36Å; I1502-F1506 WeakPolarHBondContact O-CB 3.37Å; I1502-F1506 PolarHBondContact O-N 3.26Å; A1503-F1506 PolarHBondContact O-N 2.73Å; Q1504-F1506 VanDerWaalsContact C-N 3.3Å; Q1504-F1506 PolarHBondContact O-N 3.27Å; F1506-E1508 PolarHBondContact O-N 3.21Å; F1506-I1512 HydrophobicContact CD2-CG2 3.98Å; F1506-I1512 HydrophobicContact CE2-CG2 4.35Å; F1506-L1515 HydrophobicContact CB-CD2 4.47Å; F1506-L1515 HydrophobicContact CD1-CD2 4.24Å; F1506-L1515 HydrophobicContact CD2-CB 3.83Å; F1506-L1515 HydrophobicContact CD2-CD2 4.4Å; F1506-L1515 HydrophobicContact CE2-CB 3.7Å; F1506-L1515 HydrophobicContact CG-CB 4.37Å; F1506-L1515 HydrophobicContact CG-CD2 4.11Å; F1506-L1515 HydrophobicContact CZ-CB 4.15Å; F1506-L1528 HydrophobicContact CD1-CD2 4.38Å; F1506-A1531 HydrophobicContact CE1-CB 3.89Å; F1506-A1531 HydrophobicContact CZ-CB 4Å |
| 1507 | N | 83.3 | Confident | 81.9 | Confident | 48 Ų | 48 | 58 Ų | 58 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.2 | -33.8 | 179.2 | -66.3 | -44.8 | 0 | 0 | 0 | 113.6 | A1503 Q1504 N1527 I1529 G1530 | A1503-N1507 PolarHBondContact O-N 2.78Å; A1503-N1507 PolarHBondContact O-ND2 2.78Å; Q1504-N1507 PolarHBondContact O-N 3.04Å; N1507-N1527 PolarHBondContact ND2-O 2.9Å; N1507-I1529 PolarHBondContact OD1-N 3.42Å; N1507-G1530 PolarHBondContact OD1-N 2.71Å |
| 1508 | E | 83.4 | Confident | 82.8 | Confident | 133 Ų | 133 | 53.9 Ų | 53.9 | 62% | 0.621 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -86.9 | -34.9 | -175.8 | -71.3 | 175.3 | -179.7 | 0 | 0 | 113.9 | Q1504 R1505 F1506 P1510 | Q1504-E1508 HydrophobicContact CG-CG 4.23Å; Q1504-E1508 WeakPolarHBondContact CG-OE1 3.44Å; Q1504-E1508 PolarHBondContact NE2-OE1 3.04Å; Q1504-E1508 WeakPolarHBondContact O-CB 3.46Å; Q1504-E1508 WeakPolarHBondContact O-CG 3.24Å; Q1504-E1508 PolarHBondContact O-N 3.42Å; R1505-E1508 PolarHBondContact O-N 3.3Å; F1506-E1508 PolarHBondContact O-N 3.21Å; E1508-P1510 WeakPolarHBondContact O-CD 3.23Å |
| 1509 | D | 82.4 | Confident | 83.1 | Confident | 45 Ų | 45 | 46.4 Ų | 46.4 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | trans | -94 | 103.2 | -174.6 | -170.3 | -9.6 | 0 | 0 | 0 | 110.9 | R1459 R1505 S1511 I1512 | R1459-D1509 PolarHBondContact NH2-O 2.93Å; R1505-D1509 HydrophobicContact CG-CB 4.41Å; R1505-D1509 WeakPolarHBondContact O-CB 3.17Å; R1505-D1509 PolarHBondContact O-N 3.49Å; D1509-S1511 VanDerWaalsContact CG-OG 3.24Å; D1509-S1511 PolarHBondContact O-N 3.33Å; D1509-S1511 VanDerWaalsContact OD1-CB 3.26Å; D1509-S1511 WeakPolarHBondContact OD1-CB 3.23Å; D1509-S1511 PolarHBondContact OD1-N 2.89Å; D1509-S1511 PolarHBondContact OD1-OG 3.19Å; D1509-S1511 PolarHBondContact OD2-OG 3.38Å; D1509-I1512 HydrophobicContact CB-CD1 3.94Å; D1509-I1512 HydrophobicContact CB-CG1 4.13Å; D1509-I1512 PolarHBondContact O-N 3.26Å | ||
| 1510 | P | 78.7 | Confident | 82.9 | Confident | 67 Ų | 67 | 50.9 Ų | 50.9 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -9.9 | 179.1 | 32.2 | -36.6 | 0 | 0 | 0 | 112.9 | I1455 E1508 I1512 | I1455-P1510 HydrophobicContact CG2-CB 4.47Å; E1508-P1510 WeakPolarHBondContact O-CD 3.23Å; P1510-I1512 PolarHBondContact O-N 3.16Å |
| 1511 | S | 77.5 | Confident | 82.8 | Confident | 68 Ų | 68 | 44.5 Ų | 44.5 | 48% | 0.476 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -8 | 177.9 | 74.8 | 0 | 0 | 0 | 0 | 113.4 | S1486 D1509 | S1486-S1511 WeakPolarHBondContact CB-O 3.47Å; S1486-S1511 PolarHBondContact OG-O 3.2Å; D1509-S1511 VanDerWaalsContact CG-OG 3.24Å; D1509-S1511 PolarHBondContact O-N 3.33Å; D1509-S1511 VanDerWaalsContact OD1-CB 3.26Å; D1509-S1511 WeakPolarHBondContact OD1-CB 3.23Å; D1509-S1511 PolarHBondContact OD1-N 2.89Å; D1509-S1511 PolarHBondContact OD1-OG 3.19Å; D1509-S1511 PolarHBondContact OD2-OG 3.38Å |
| 1512 | I | 82.4 | Confident | 81.9 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | trans | -98.1 | 109.2 | -177.8 | -53.6 | -178.4 | 0 | 0 | 0 | 110 | R1459 S1486 L1488 R1505 F1506 D1509 P1510 | R1459-I1512 PolarHBondContact NE-O 3.28Å; R1459-I1512 PolarHBondContact NH2-O 3.11Å; S1486-I1512 VanDerWaalsContact OG-CA 3.26Å; S1486-I1512 WeakPolarHBondContact OG-CA 2.73Å; L1488-I1512 HydrophobicContact CB-CG2 4.46Å; L1488-I1512 HydrophobicContact CD1-CD1 3.42Å; L1488-I1512 VanDerWaalsContact CD1-CD1 3.42Å; L1488-I1512 HydrophobicContact CD1-CG2 4.04Å; L1488-I1512 HydrophobicContact CD2-CD1 4.39Å; L1488-I1512 HydrophobicContact CG-CD1 3.85Å; L1488-I1512 HydrophobicContact CG-CG2 3.87Å; R1505-I1512 HydrophobicContact CG-CD1 4.08Å; F1506-I1512 HydrophobicContact CD2-CG2 3.98Å; F1506-I1512 HydrophobicContact CE2-CG2 4.35Å; D1509-I1512 HydrophobicContact CB-CD1 3.94Å; D1509-I1512 HydrophobicContact CB-CG1 4.13Å; D1509-I1512 PolarHBondContact O-N 3.26Å; P1510-I1512 PolarHBondContact O-N 3.16Å | ||
| 1513 | D | 84.6 | Confident | 80.8 | Confident | 20 Ų | 20 | 38.4 Ų | 38.4 | 11% | 0.107 | 20% | 0.198 | C | C | . | . | trans | -80.7 | -40.3 | -174.7 | -57.8 | -47.6 | 0 | 0 | 0 | 112.3 | I1442 S1456 R1459 A1460 V1485 S1486 | I1442-D1513 HydrophobicContact CG2-CB 4.22Å; S1456-D1513 WeakPolarHBondContact CB-OD1 3.37Å; S1456-D1513 PolarHBondContact OG-OD1 3.45Å; R1459-D1513 WeakPolarHBondContact CA-O 3.45Å; A1460-D1513 PolarHBondContact N-O 3.02Å; V1485-D1513 HydrophobicContact CG1-CB 3.76Å; S1486-D1513 PolarHBondContact N-OD2 3.23Å; S1486-D1513 PolarHBondContact O-N 3.43Å; S1486-D1513 PolarHBondContact OG-N 2.86Å; S1486-D1513 PolarHBondContact OG-OD2 3.22Å | ||
| 1514 | L | 88.3 | Confident | 80 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 142.4 | -171.7 | -63.8 | -177.7 | 0 | 0 | 0 | 113.6 | L1437 I1442 A1460 I1462 I1477 V1485 S1486 F1487 L1488 | L1437-L1514 HydrophobicContact CD1-CD1 4.49Å; L1437-L1514 HydrophobicContact CD2-CD2 3.95Å; I1442-L1514 HydrophobicContact CD1-CD2 4.15Å; I1442-L1514 HydrophobicContact CG2-CD2 4.23Å; I1442-L1514 HydrophobicContact CG2-CG 4.33Å; A1460-L1514 HydrophobicContact CB-CD2 3.65Å; A1460-L1514 WeakPolarHBondContact O-CA 3.36Å; I1462-L1514 HydrophobicContact CD1-CD1 4.29Å; I1462-L1514 HydrophobicContact CD1-CD2 4.33Å; I1477-L1514 HydrophobicContact CD1-CD1 4.12Å; V1485-L1514 HydrophobicContact CG1-CB 4.46Å; V1485-L1514 HydrophobicContact CG1-CD1 3.5Å; V1485-L1514 HydrophobicContact CG1-CG 3.63Å; S1486-L1514 PolarHBondContact O-N 2.91Å; F1487-L1514 CarbonylContact C-O 3.54Å; F1487-L1514 VanDerWaalsContact CA-O 3.23Å; F1487-L1514 WeakPolarHBondContact CA-O 3.42Å; F1487-L1514 HydrophobicContact CB-CB 3.83Å; L1488-L1514 PolarHBondContact N-O 3.38Å |
| 1515 | L | 89.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 117.4 | 164.2 | -177.1 | 66.5 | 0 | 0 | 0 | 109.3 | A1460 L1461 I1462 L1488 L1490 I1502 F1506 L1517 L1528 | A1460-L1515 PolarHBondContact O-N 3.29Å; L1461-L1515 HydrophobicContact CD2-CB 3.75Å; L1461-L1515 HydrophobicContact CD2-CD2 3.95Å; L1461-L1515 HydrophobicContact CD2-CG 4.34Å; I1462-L1515 PolarHBondContact N-O 2.95Å; L1488-L1515 HydrophobicContact CB-CD1 3.46Å; L1488-L1515 VanDerWaalsContact CB-CD1 3.46Å; L1488-L1515 WeakPolarHBondContact O-CA 3.25Å; L1490-L1515 HydrophobicContact CB-CD1 4.3Å; I1502-L1515 HydrophobicContact CG2-CD1 4.18Å; F1506-L1515 HydrophobicContact CB-CD2 4.47Å; F1506-L1515 HydrophobicContact CD1-CD2 4.24Å; F1506-L1515 HydrophobicContact CD2-CB 3.83Å; F1506-L1515 HydrophobicContact CD2-CD2 4.4Å; F1506-L1515 HydrophobicContact CE2-CB 3.7Å; F1506-L1515 HydrophobicContact CG-CB 4.37Å; F1506-L1515 HydrophobicContact CG-CD2 4.11Å; F1506-L1515 HydrophobicContact CZ-CB 4.15Å; L1515-L1517 HydrophobicContact CB-CD1 4.18Å; L1515-L1517 HydrophobicContact CD2-CD1 3.92Å; L1515-L1517 HydrophobicContact CD2-CD2 3.99Å; L1515-L1517 HydrophobicContact CD2-CG 4.13Å; L1515-L1517 HydrophobicContact CG-CD1 3.7Å; L1515-L1517 HydrophobicContact CG-CD2 4.32Å; L1515-L1517 HydrophobicContact CG-CG 3.93Å; L1515-L1517 VanDerWaalsContact O-CD1 3.27Å; L1515-L1517 WeakPolarHBondContact O-CD1 3.39Å; L1515-L1528 HydrophobicContact CD2-CD1 4.3Å; L1515-L1528 HydrophobicContact CD2-CD2 3.75Å |
| 1516 | L | 89.9 | Confident | 78.7 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 119.4 | 176.6 | -54.7 | -177.6 | 0 | 0 | 0 | 109.4 | I1462 L1470 I1473 A1474 I1477 F1487 L1488 L1490 | I1462-L1516 HydrophobicContact CB-CD2 3.81Å; I1462-L1516 HydrophobicContact CD1-CD2 3.79Å; I1462-L1516 HydrophobicContact CG1-CD2 4.18Å; I1462-L1516 HydrophobicContact CG2-CD2 4.38Å; L1470-L1516 HydrophobicContact CD1-CB 3.89Å; L1470-L1516 HydrophobicContact CD2-CB 4.19Å; L1470-L1516 HydrophobicContact CD2-CD1 4.46Å; L1470-L1516 HydrophobicContact CG-CB 3.94Å; L1470-L1516 HydrophobicContact CG-CD1 4.44Å; I1473-L1516 HydrophobicContact CG2-CD1 4.18Å; I1473-L1516 HydrophobicContact CG2-CD2 3.97Å; A1474-L1516 HydrophobicContact CB-CD1 4.2Å; I1477-L1516 HydrophobicContact CD1-CD1 4.26Å; I1477-L1516 HydrophobicContact CD1-CD2 4.49Å; F1487-L1516 HydrophobicContact CD2-CD1 3.69Å; F1487-L1516 HydrophobicContact CD2-CG 4.14Å; F1487-L1516 HydrophobicContact CE2-CD1 4.02Å; F1487-L1516 HydrophobicContact CG-CD1 4.5Å; L1488-L1516 PolarHBondContact O-N 3.09Å; L1490-L1516 PolarHBondContact N-O 2.82Å |
| 1517 | L | 89.5 | Confident | 78.3 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 144.1 | -179.3 | -52.4 | 100.5 | 0 | 0 | 0 | 111.9 | L1461 I1462 F1463 C1464 L1490 L1515 L1528 | L1461-L1517 HydrophobicContact CB-CD1 4.05Å; L1461-L1517 HydrophobicContact CD2-CD1 4.12Å; I1462-L1517 PolarHBondContact O-N 3.41Å; F1463-L1517 WeakPolarHBondContact CA-O 3.34Å; F1463-L1517 HydrophobicContact CD1-CB 3.79Å; F1463-L1517 HydrophobicContact CD1-CD1 4.4Å; F1463-L1517 HydrophobicContact CE1-CB 3.74Å; F1463-L1517 HydrophobicContact CE1-CD1 3.93Å; F1463-L1517 HydrophobicContact CE1-CD2 4.19Å; F1463-L1517 HydrophobicContact CE1-CG 4.19Å; F1463-L1517 HydrophobicContact CZ-CD1 4.22Å; C1464-L1517 PolarHBondContact N-O 3.06Å; L1490-L1517 HydrophobicContact CB-CD2 4.32Å; L1490-L1517 HydrophobicContact CB-CG 4.39Å; L1490-L1517 HydrophobicContact CD2-CD2 3.89Å; L1490-L1517 WeakPolarHBondContact O-CA 3.32Å; L1515-L1517 HydrophobicContact CB-CD1 4.18Å; L1515-L1517 HydrophobicContact CD2-CD1 3.92Å; L1515-L1517 HydrophobicContact CD2-CD2 3.99Å; L1515-L1517 HydrophobicContact CD2-CG 4.13Å; L1515-L1517 HydrophobicContact CG-CD1 3.7Å; L1515-L1517 HydrophobicContact CG-CD2 4.32Å; L1515-L1517 HydrophobicContact CG-CG 3.93Å; L1515-L1517 VanDerWaalsContact O-CD1 3.27Å; L1515-L1517 WeakPolarHBondContact O-CD1 3.39Å; L1517-L1528 HydrophobicContact CD2-CD1 3.82Å |
| 1518 | T | 87.6 | Confident | 78.2 | Confident | 8 Ų | 8 | 31.4 Ų | 31.4 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 134.8 | 159.5 | 54.1 | 0 | 0 | 0 | 0 | 109.8 | C1464 K1467 L1470 L1490 D1491 Q1520 V1521 G1522 | C1464-T1518 CarbonylContact O-C 3.53Å; C1464-T1518 WeakPolarHBondContact O-CA 3.26Å; K1467-T1518 HydrophobicContact CG-CG2 4.11Å; L1470-T1518 HydrophobicContact CD1-CG2 4.22Å; L1490-T1518 PolarHBondContact O-N 3.15Å; D1491-T1518 HydrophobicContact CB-CG2 4.02Å; T1518-Q1520 PolarHBondContact O-N 3.17Å; T1518-Q1520 VanDerWaalsContact O-N 3.1Å; T1518-V1521 PolarHBondContact O-N 2.84Å; T1518-V1521 WeakPolarHBondContact OG1-CB 3.37Å; T1518-V1521 WeakPolarHBondContact OG1-CG2 3.45Å; T1518-G1522 PolarHBondContact O-N 3Å |
| 1519 | T | 82.2 | Confident | 78.2 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -53.7 | -36.5 | -176.8 | -46.7 | 0 | 0 | 0 | 0 | 112.8 | C1464 Q1465 V1521 G1522 G1523 K1545 A1549 | C1464-T1519 PolarHBondContact O-N 3.12Å; C1464-T1519 PolarHBondContact O-OG1 2.95Å; Q1465-T1519 VanDerWaalsContact NE2-CB 3.34Å; Q1465-T1519 PolarHBondContact NE2-OG1 3.21Å; Q1465-T1519 VanDerWaalsContact NE2-OG1 3.16Å; T1519-V1521 VanDerWaalsContact C-N 3.34Å; T1519-V1521 PolarHBondContact O-N 3.37Å; T1519-G1522 PolarHBondContact O-N 3.43Å; T1519-G1523 PolarHBondContact O-N 3.14Å; T1519-K1545 HydrophobicContact CG2-CB 4.46Å; T1519-A1549 HydrophobicContact CG2-CB 4.23Å |
| 1520 | Q | 73.7 | Confident | 78.2 | Confident | 131 Ų | 131 | 26.2 Ų | 26.2 | 61% | 0.612 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -61.6 | -38.2 | 175.9 | -65.9 | -177.2 | -3.5 | 0 | 0 | 113.5 | T1518 G1523 | T1518-Q1520 PolarHBondContact O-N 3.17Å; T1518-Q1520 VanDerWaalsContact O-N 3.1Å; Q1520-G1523 PolarHBondContact O-N 3.21Å |
| 1521 | V | 71.2 | Confident | 78.6 | Confident | 6 Ų | 6 | 23 Ų | 23 | 4% | 0.036 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -82.2 | -30.7 | 179.4 | -173.3 | 0 | 0 | 0 | 0 | 110.6 | L1490 T1518 T1519 G1523 L1524 | L1490-V1521 HydrophobicContact CD2-CB 4.18Å; L1490-V1521 HydrophobicContact CD2-CG1 3.2Å; L1490-V1521 HydrophobicContact CG-CG1 4.25Å; T1518-V1521 PolarHBondContact O-N 2.84Å; T1518-V1521 WeakPolarHBondContact OG1-CB 3.37Å; T1518-V1521 WeakPolarHBondContact OG1-CG2 3.45Å; T1519-V1521 VanDerWaalsContact C-N 3.34Å; T1519-V1521 PolarHBondContact O-N 3.37Å; V1521-G1523 PolarHBondContact O-N 3.29Å; V1521-G1523 VanDerWaalsContact O-N 3.16Å; V1521-L1524 HydrophobicContact CB-CD1 4.28Å; V1521-L1524 HydrophobicContact CG1-CD1 3.79Å; V1521-L1524 VanDerWaalsContact O-CB 3.31Å; V1521-L1524 WeakPolarHBondContact O-CB 3.34Å; V1521-L1524 WeakPolarHBondContact O-CG 3.42Å; V1521-L1524 PolarHBondContact O-N 3.28Å |
| 1522 | G | 60 | Low | 79.1 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -53.9 | -27.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1518 T1519 L1524 R1552 | T1518-G1522 PolarHBondContact O-N 3Å; T1519-G1522 PolarHBondContact O-N 3.43Å; G1522-L1524 VanDerWaalsContact C-N 3.27Å; G1522-L1524 PolarHBondContact O-N 3.02Å; G1522-R1552 VanDerWaalsContact O-CG 3.25Å; G1522-R1552 WeakPolarHBondContact O-CG 3.27Å |
| 1523 | G | 61.1 | Low | 79.5 | Confident | 19 Ų | 19 | 19.7 Ų | 19.7 | 20% | 0.196 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | T1519 Q1520 V1521 G1525 R1552 | T1519-G1523 PolarHBondContact O-N 3.14Å; Q1520-G1523 PolarHBondContact O-N 3.21Å; V1521-G1523 PolarHBondContact O-N 3.29Å; V1521-G1523 VanDerWaalsContact O-N 3.16Å; G1523-G1525 PolarHBondContact O-N 3.46Å; G1523-R1552 PolarHBondContact O-NH2 2.93Å; G1523-R1552 VanDerWaalsContact O-NH2 3.1Å |
| 1524 | L | 64.4 | Low | 79.8 | Confident | 49 Ų | 49 | 18.8 Ų | 18.8 | 26% | 0.257 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -84.8 | 39.6 | -162 | -62 | 178.3 | 0 | 0 | 0 | 117.2 | T1152 V1521 G1522 L1526 | T1152-L1524 HydrophobicContact CG2-CD2 3.98Å; V1521-L1524 HydrophobicContact CB-CD1 4.28Å; V1521-L1524 HydrophobicContact CG1-CD1 3.79Å; V1521-L1524 VanDerWaalsContact O-CB 3.31Å; V1521-L1524 WeakPolarHBondContact O-CB 3.34Å; V1521-L1524 WeakPolarHBondContact O-CG 3.42Å; V1521-L1524 PolarHBondContact O-N 3.28Å; G1522-L1524 VanDerWaalsContact C-N 3.27Å; G1522-L1524 PolarHBondContact O-N 3.02Å; L1524-L1526 PolarHBondContact O-N 3.33Å; L1524-L1526 VanDerWaalsContact O-N 3.16Å |
| 1525 | G | 63.6 | Low | 80 | Confident | 19 Ų | 19 | 18.8 Ų | 18.8 | 20% | 0.196 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 75.5 | 1.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | G1523 | G1523-G1525 PolarHBondContact O-N 3.46Š|
| 1526 | L | 73.4 | Confident | 80.1 | Confident | 20 Ų | 20 | 18.8 Ų | 18.8 | 11% | 0.105 | 11% | 0.111 | C | C | . | . | trans | -70.4 | 149.8 | -177.8 | -59.7 | 171 | 0 | 0 | 0 | 112 | L1490 R1499 A1503 L1524 R1552 | L1490-L1526 HydrophobicContact CD1-CD1 4.19Å; L1490-L1526 HydrophobicContact CD2-CD1 3.78Å; R1499-L1526 HydrophobicContact CB-CD1 4.35Å; R1499-L1526 HydrophobicContact CB-CD2 4.29Å; A1503-L1526 HydrophobicContact CB-CB 4.44Å; A1503-L1526 HydrophobicContact CB-CD2 4.28Å; L1524-L1526 PolarHBondContact O-N 3.33Å; L1524-L1526 VanDerWaalsContact O-N 3.16Å; L1526-R1552 WeakPolarHBondContact O-CD 3.21Å | ||
| 1527 | N | 77.7 | Confident | 80.2 | Confident | 62 Ų | 62 | 18.7 Ų | 18.7 | 33% | 0.332 | 11% | 0.111 | S | C | . | . | trans | -99.3 | 117 | 174.4 | -166.5 | 26.5 | 0 | 0 | 0 | 109.3 | N1507 I1529 | N1507-N1527 PolarHBondContact ND2-O 2.9Å; N1527-I1529 WeakPolarHBondContact OD1-CG2 3.42Å | ||
| 1528 | L | 82.4 | Confident | 80.1 | Confident | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | trans | -126 | 39.4 | -174 | -61.2 | 174.5 | 0 | 0 | 0 | 111.5 | L1461 A1503 F1506 L1515 L1517 G1530 A1531 R1552 | L1461-L1528 HydrophobicContact CD1-CB 3.94Å; L1461-L1528 HydrophobicContact CD1-CD1 3.94Å; A1503-L1528 HydrophobicContact CB-CD2 3.99Å; F1506-L1528 HydrophobicContact CD1-CD2 4.38Å; L1515-L1528 HydrophobicContact CD2-CD1 4.3Å; L1515-L1528 HydrophobicContact CD2-CD2 3.75Å; L1517-L1528 HydrophobicContact CD2-CD1 3.82Å; L1528-G1530 PolarHBondContact O-N 3.12Å; L1528-A1531 PolarHBondContact O-N 3.06Å; L1528-R1552 CarbonylContact C-O 3.55Å; L1528-R1552 HydrophobicContact CB-CB 4.31Å; L1528-R1552 HydrophobicContact CD1-CB 4.17Å; L1528-R1552 HydrophobicContact CG-CB 4.38Å; L1528-R1552 PolarHBondContact N-O 3.49Å | ||
| 1529 | I | 82.7 | Confident | 80.1 | Confident | 44 Ų | 44 | 18.7 Ų | 18.7 | 23% | 0.226 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -15.8 | -178.3 | 53.1 | 168.1 | 0 | 0 | 0 | 113.9 | N1507 N1527 A1531 R1555 Q1558 | N1507-I1529 PolarHBondContact OD1-N 3.42Å; N1527-I1529 WeakPolarHBondContact OD1-CG2 3.42Å; I1529-A1531 PolarHBondContact O-N 3Å; I1529-R1555 HydrophobicContact CG2-CB 4.1Å; I1529-Q1558 PolarHBondContact O-NE2 2.95Å; I1529-Q1558 VanDerWaalsContact O-NE2 3.08Å |
| 1530 | G | 82.4 | Confident | 80.2 | Confident | 25 Ų | 25 | 19.5 Ų | 19.5 | 26% | 0.258 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -13.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1459 N1507 L1528 | R1459-G1530 WeakPolarHBondContact CD-O 3.48Å; N1507-G1530 PolarHBondContact OD1-N 2.71Å; L1528-G1530 PolarHBondContact O-N 3.12Å |
| 1531 | A | 87.2 | Confident | 80.4 | Confident | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.008 | 9% | 0.087 | C | C | . | . | trans | -98.4 | 138 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1459 L1461 F1506 L1528 I1529 Q1558 | R1459-A1531 WeakPolarHBondContact O-CA 3.38Å; R1459-A1531 WeakPolarHBondContact O-CB 3.33Å; L1461-A1531 HydrophobicContact CD1-CB 3.99Å; L1461-A1531 HydrophobicContact CD2-CB 3.73Å; L1461-A1531 HydrophobicContact CG-CB 3.47Å; L1461-A1531 VanDerWaalsContact CG-CB 3.47Å; F1506-A1531 HydrophobicContact CE1-CB 3.89Å; F1506-A1531 HydrophobicContact CZ-CB 4Å; L1528-A1531 PolarHBondContact O-N 3.06Å; I1529-A1531 PolarHBondContact O-N 3Å; A1531-Q1558 PolarHBondContact O-NE2 3.24Å | ||
| 1532 | D | 88.5 | Confident | 80.7 | Confident | 5 Ų | 5 | 14.2 Ų | 14.2 | 3% | 0.027 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -109.6 | -10.1 | 173.4 | 55.6 | -6.4 | 0 | 0 | 0 | 113 | H1458 R1459 R1560 L1562 N1563 | H1458-D1532 WeakPolarHBondContact CA-OD1 3.41Å; H1458-D1532 IonicContact CE1-OD2 3.72Å; H1458-D1532 IonicContact CG-OD2 3.76Å; H1458-D1532 IonicContact ND1-OD1 3.82Å; H1458-D1532 IonicContact ND1-OD2 2.78Å; H1458-D1532 PolarHBondContact ND1-OD2 3.08Å; R1459-D1532 PolarHBondContact N-OD1 2.87Å; R1459-D1532 PolarHBondContact O-N 3.45Å; R1459-D1532 VanDerWaalsContact O-N 3.14Å; R1459-D1532 VanDerWaalsContact O-OD1 3.1Å; D1532-R1560 HydrophobicContact CB-CB 4.04Å; D1532-R1560 IonicContact OD2-NH1 2.69Å; D1532-R1560 PolarHBondContact OD2-NH1 2.86Å; D1532-L1562 WeakPolarHBondContact O-CA 3.49Å; D1532-N1563 PolarHBondContact O-N 2.99Å |
| 1533 | V | 90 | Very high | 81.7 | Confident | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.8 | 174.3 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | H1458 R1459 A1460 L1461 I1535 N1563 Y1565 | H1458-V1533 HydrophobicContact CB-CG2 4.21Å; R1459-V1533 PolarHBondContact O-N 3.38Å; R1459-V1533 VanDerWaalsContact O-N 3.1Å; A1460-V1533 CarbonylContact C-O 3.57Å; A1460-V1533 VanDerWaalsContact CA-O 3.25Å; A1460-V1533 WeakPolarHBondContact CA-O 3.38Å; A1460-V1533 HydrophobicContact CB-CB 3.85Å; A1460-V1533 HydrophobicContact CB-CG1 3.99Å; L1461-V1533 PolarHBondContact N-O 3.17Å; V1533-I1535 HydrophobicContact CG1-CD1 4.38Å; V1533-I1535 HydrophobicContact CG1-CG1 4.03Å; V1533-N1563 CarbonylContact C-O 3.58Å; V1533-N1563 WeakPolarHBondContact CA-O 3.21Å; V1533-Y1565 HydrophobicContact CG1-CD2 3.95Å; V1533-Y1565 HydrophobicContact CG1-CE2 3.98Å |
| 1534 | V | 91.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.2 | 174.5 | 175 | 0 | 0 | 0 | 0 | 108.9 | L1461 F1463 F1536 A1553 L1562 N1563 V1564 Y1565 | L1461-V1534 HydrophobicContact CB-CG2 4.33Å; L1461-V1534 HydrophobicContact CD1-CG2 4.23Å; L1461-V1534 HydrophobicContact CG-CG2 4.48Å; L1461-V1534 WeakPolarHBondContact O-CA 3.34Å; F1463-V1534 HydrophobicContact CD2-CG1 3.66Å; F1463-V1534 HydrophobicContact CE2-CG1 3.61Å; V1534-F1536 HydrophobicContact CG1-CD2 4.13Å; V1534-F1536 HydrophobicContact CG1-CE2 3.69Å; V1534-F1536 HydrophobicContact CG1-CZ 4.2Å; V1534-A1553 HydrophobicContact CG2-CB 4.03Å; V1534-L1562 HydrophobicContact CG2-CD1 3.88Å; V1534-L1562 HydrophobicContact CG2-CD2 4.38Å; V1534-L1562 HydrophobicContact CG2-CG 4.4Å; V1534-N1563 PolarHBondContact N-O 3.42Å; V1534-V1564 HydrophobicContact CB-CG1 4.41Å; V1534-V1564 HydrophobicContact CB-CG2 4.25Å; V1534-V1564 HydrophobicContact CG1-CG1 4.34Å; V1534-V1564 CarbonylContact O-C 3.54Å; V1534-V1564 VanDerWaalsContact O-CA 3.29Å; V1534-V1564 WeakPolarHBondContact O-CA 3.47Å; V1534-Y1565 PolarHBondContact O-N 3.46Å |
| 1535 | I | 92.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 115.9 | 179.6 | -55.1 | 175.8 | 0 | 0 | 0 | 108.3 | L1433 L1437 L1461 I1462 F1463 V1533 Y1565 L1567 | L1433-I1535 HydrophobicContact CD1-CD1 4.03Å; L1433-I1535 HydrophobicContact CD1-CG2 4.1Å; L1437-I1535 HydrophobicContact CD2-CD1 4.13Å; L1461-I1535 PolarHBondContact O-N 3.41Å; I1462-I1535 WeakPolarHBondContact CA-O 3.39Å; I1462-I1535 HydrophobicContact CG1-CB 4.45Å; F1463-I1535 PolarHBondContact N-O 2.82Å; V1533-I1535 HydrophobicContact CG1-CD1 4.38Å; V1533-I1535 HydrophobicContact CG1-CG1 4.03Å; I1535-Y1565 WeakPolarHBondContact CA-O 3.27Å; I1535-Y1565 HydrophobicContact CG1-CD2 4.38Å; I1535-L1567 HydrophobicContact CG2-CD1 4.38Å; I1535-L1567 HydrophobicContact CG2-CG 4.46Å |
| 1536 | F | 91.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 105.8 | 167.4 | -72.8 | -81.4 | 0 | 0 | 0 | 108.6 | F1463 V1534 H1539 D1546 A1549 M1550 V1564 Y1565 R1566 L1567 | F1463-F1536 HydrophobicContact CB-CD1 3.69Å; F1463-F1536 HydrophobicContact CB-CE1 3.85Å; F1463-F1536 HydrophobicContact CD2-CD1 4.22Å; F1463-F1536 AromaticContact CD2-CE1 3.75Å; F1463-F1536 HydrophobicContact CD2-CE1 3.75Å; F1463-F1536 AromaticContact CD2-CZ 3.91Å; F1463-F1536 HydrophobicContact CD2-CZ 3.91Å; F1463-F1536 HydrophobicContact CE2-CZ 4.4Å; F1463-F1536 HydrophobicContact CG-CD1 4.25Å; F1463-F1536 AromaticContact CG-CE1 3.92Å; F1463-F1536 HydrophobicContact CG-CE1 3.92Å; V1534-F1536 HydrophobicContact CG1-CD2 4.13Å; V1534-F1536 HydrophobicContact CG1-CE2 3.69Å; V1534-F1536 HydrophobicContact CG1-CZ 4.2Å; F1536-H1539 WeakPolarHBondContact CB-CE1 3.45Å; F1536-D1546 HydrophobicContact CD1-CB 4.4Å; F1536-D1546 HydrophobicContact CE1-CB 3.88Å; F1536-D1546 HydrophobicContact CZ-CB 4.1Å; F1536-D1546 VanDerWaalsContact CZ-O 3.26Å; F1536-D1546 WeakPolarHBondContact CZ-O 3.2Å; F1536-A1549 HydrophobicContact CE1-CB 4.23Å; F1536-A1549 HydrophobicContact CZ-CB 4.27Å; F1536-M1550 HydrophobicContact CE2-CB 4.23Å; F1536-M1550 HydrophobicContact CZ-CB 4.15Å; F1536-V1564 HydrophobicContact CD2-CG1 3.9Å; F1536-V1564 HydrophobicContact CE2-CG1 3.79Å; F1536-Y1565 PolarHBondContact N-O 3.33Å; F1536-R1566 HydrophobicContact CD2-CG 4.38Å; F1536-L1567 PolarHBondContact O-N 3.08Å |
| 1537 | F | 90.5 | Very high | 84.5 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -73.7 | -39.4 | 177.7 | -173 | -88.1 | 0 | 0 | 0 | 111.1 | K1429 M1430 L1433 I1462 F1463 V1469 I1473 L1567 | K1429-F1537 HydrophobicContact CB-CE2 3.85Å; K1429-F1537 HydrophobicContact CB-CZ 3.77Å; K1429-F1537 HydrophobicContact CD-CD1 4.49Å; K1429-F1537 HydrophobicContact CD-CE1 4.05Å; K1429-F1537 HydrophobicContact CD-CE2 4.43Å; K1429-F1537 HydrophobicContact CD-CZ 4.02Å; K1429-F1537 PolarHBondContact NZ-O 3Å; M1430-F1537 HydrophobicContact CE-CE2 4.5Å; M1430-F1537 HydrophobicContact CE-CZ 4.35Å; M1430-F1537 HydrophobicContact SD-CE2 4.43Å; L1433-F1537 HydrophobicContact CD2-CD2 4.19Å; L1433-F1537 HydrophobicContact CD2-CE2 4.27Å; I1462-F1537 HydrophobicContact CG2-CB 4.42Å; F1463-F1537 PolarHBondContact O-N 3.25Å; V1469-F1537 HydrophobicContact CG1-CD1 3.57Å; V1469-F1537 HydrophobicContact CG1-CE1 3.48Å; V1469-F1537 VanDerWaalsContact CG1-CE1 3.48Å; V1469-F1537 HydrophobicContact CG1-CG 4.4Å; V1469-F1537 HydrophobicContact CG1-CZ 4.25Å; I1473-F1537 HydrophobicContact CD1-CD2 4.2Å; I1473-F1537 HydrophobicContact CD1-CE2 4.45Å; I1473-F1537 HydrophobicContact CD1-CG 4.35Å; F1537-L1567 HydrophobicContact CD2-CD1 3.83Å; F1537-L1567 HydrophobicContact CE2-CD1 4.33Å |
| 1538 | D | 88.5 | Confident | 84.7 | Confident | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.011 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -137.9 | 150.2 | 172.4 | -53.5 | -53.3 | 0 | 0 | 0 | 110.7 | S1387 K1429 Q1465 | S1387-D1538 PolarHBondContact OG-OD1 2.96Å; S1387-D1538 PolarHBondContact OG-OD2 3.43Å; K1429-D1538 IonicContact NZ-OD1 3.22Å; K1429-D1538 PolarHBondContact NZ-OD1 2.99Å; Q1465-D1538 HydrophobicContact CB-CB 4.38Å; Q1465-D1538 HydrophobicContact CG-CB 4.06Å |
| 1539 | H | 87 | Confident | 84.6 | Confident | 5 Ų | 5 | 12.7 Ų | 12.7 | 2% | 0.023 | 7% | 0.068 | C | C | . | . | trans | -102.3 | 149.3 | -176.9 | -63.6 | -66.7 | 0 | 0 | 0 | 113.1 | R1383 F1536 D1546 I1577 M1578 | R1383-H1539 PolarHBondContact NH2-O 3.06Å; F1536-H1539 WeakPolarHBondContact CB-CE1 3.45Å; H1539-D1546 IonicContact CG-OD2 2.77Å; H1539-D1546 IonicContact ND1-OD2 3.93Å; H1539-D1546 PolarHBondContact ND1-OD2 3.2Å; H1539-D1546 VanDerWaalsContact ND1-OD2 3.09Å; H1539-I1577 HydrophobicContact CB-CG2 4.3Å; H1539-M1578 HydrophobicContact CB-SD 4.2Å | ||
| 1540 | D | 83.6 | Confident | 84.7 | Confident | 18 Ų | 18 | 10.8 Ų | 10.8 | 10% | 0.096 | 6% | 0.058 | C | C | . | . | trans | -84.9 | 160 | 168.7 | -151.2 | -27.1 | 0 | 0 | 0 | 111.1 | N1542 K1545 I1577 Q1581 | D1540-N1542 PolarHBondContact O-N 2.76Å; D1540-K1545 HydrophobicContact CB-CD 4.34Å; D1540-K1545 WeakPolarHBondContact OD2-CD 3.37Å; D1540-K1545 WeakPolarHBondContact OD2-CE 3.5Å; D1540-K1545 IonicContact OD2-NZ 3.77Å; D1540-K1545 PolarHBondContact OD2-NZ 2.73Å; D1540-I1577 WeakPolarHBondContact O-CG2 3.29Å; D1540-Q1581 PolarHBondContact O-NE2 3.24Å | ||
| 1541 | W | 78.2 | Confident | 84.7 | Confident | 11 Ų | 11 | 9.8 Ų | 9.8 | 4% | 0.042 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -70.2 | -20.1 | 170.5 | -64.9 | 98.3 | 0 | 0 | 0 | 112.9 | V1379 L1573 I1577 K1584 Y1643 | V1379-W1541 HydrophobicContact CG1-CZ2 4.27Å; W1541-L1573 HydrophobicContact CH2-CD1 3.82Å; W1541-L1573 HydrophobicContact CH2-CG 4.31Å; W1541-L1573 HydrophobicContact CZ2-CD1 4.17Å; W1541-L1573 HydrophobicContact CZ2-CD2 4.26Å; W1541-L1573 HydrophobicContact CZ2-CG 4.35Å; W1541-I1577 HydrophobicContact CD2-CD1 4.42Å; W1541-I1577 HydrophobicContact CD2-CG1 3.83Å; W1541-I1577 HydrophobicContact CD2-CG2 4.36Å; W1541-I1577 HydrophobicContact CE3-CB 4.18Å; W1541-I1577 HydrophobicContact CE3-CG1 3.65Å; W1541-I1577 HydrophobicContact CE3-CG2 4.22Å; W1541-I1577 HydrophobicContact CH2-CD1 4.28Å; W1541-I1577 HydrophobicContact CH2-CG1 3.46Å; W1541-I1577 VanDerWaalsContact CH2-CG1 3.46Å; W1541-I1577 HydrophobicContact CZ2-CD1 3.95Å; W1541-I1577 HydrophobicContact CZ2-CG1 3.61Å; W1541-I1577 HydrophobicContact CZ3-CB 4.19Å; W1541-I1577 HydrophobicContact CZ3-CG1 3.46Å; W1541-I1577 VanDerWaalsContact CZ3-CG1 3.46Å; W1541-K1584 PolarHBondContact O-NZ 2.8Å; W1541-Y1643 HydrophobicContact CH2-CE1 4.24Å; W1541-Y1643 HydrophobicContact CZ2-CE1 4.15Å |
| 1542 | N | 78.1 | Confident | 84.3 | Confident | 16 Ų | 16 | 10.6 Ų | 10.6 | 9% | 0.086 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -99.4 | 108.4 | 174.4 | -176 | -5.8 | 0 | 0 | 0 | 109.7 | Q1249 D1540 T1544 K1545 | Q1249-N1542 PolarHBondContact OE1-ND2 2.99Å; D1540-N1542 PolarHBondContact O-N 2.76Å; N1542-T1544 PolarHBondContact O-N 3Å; N1542-T1544 VanDerWaalsContact O-N 3.11Å; N1542-T1544 WeakPolarHBondContact OD1-CB 3.38Å; N1542-T1544 PolarHBondContact OD1-N 3.4Å; N1542-T1544 PolarHBondContact OD1-OG1 2.82Å; N1542-K1545 PolarHBondContact O-N 3.49Å |
| 1543 | P | 81.1 | Confident | 84.1 | Confident | 2 Ų | 2 | 10.3 Ų | 10.3 | 1% | 0.013 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.1 | -24.7 | -178.2 | 25.4 | -34.2 | 0 | 0 | 0 | 113 | K1545 D1546 I1547 Q1581 K1584 N1585 | P1543-K1545 VanDerWaalsContact C-N 3.27Å; P1543-K1545 PolarHBondContact O-N 3.47Å; P1543-D1546 PolarHBondContact O-N 2.98Å; P1543-I1547 WeakPolarHBondContact O-CG1 3.46Å; P1543-I1547 PolarHBondContact O-N 3.35Å; P1543-Q1581 HydrophobicContact CB-CB 3.96Å; P1543-Q1581 HydrophobicContact CB-CG 3.91Å; P1543-Q1581 HydrophobicContact CG-CB 4.39Å; P1543-Q1581 HydrophobicContact CG-CG 4.44Å; P1543-K1584 HydrophobicContact CG-CB 3.97Å; P1543-N1585 WeakPolarHBondContact CB-ND2 3.45Å; P1543-N1585 VanDerWaalsContact CB-OD1 3.24Å; P1543-N1585 WeakPolarHBondContact CB-OD1 3.44Å; P1543-N1585 WeakPolarHBondContact CG-OD1 2.93Å |
| 1544 | T | 77.8 | Confident | 83.8 | Confident | 4 Ų | 4 | 10.7 Ų | 10.7 | 3% | 0.025 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -56.4 | -41.4 | 179.5 | -57.8 | 0 | 0 | 0 | 0 | 112 | T1246 N1542 D1546 I1547 Q1548 | T1246-T1544 HydrophobicContact CG2-CG2 3.82Å; T1246-T1544 WeakPolarHBondContact OG1-CG2 3.46Å; N1542-T1544 PolarHBondContact O-N 3Å; N1542-T1544 VanDerWaalsContact O-N 3.11Å; N1542-T1544 WeakPolarHBondContact OD1-CB 3.38Å; N1542-T1544 PolarHBondContact OD1-N 3.4Å; N1542-T1544 PolarHBondContact OD1-OG1 2.82Å; T1544-D1546 VanDerWaalsContact C-N 3.33Å; T1544-D1546 PolarHBondContact O-N 3.22Å; T1544-I1547 PolarHBondContact O-N 3.43Å; T1544-Q1548 HydrophobicContact CG2-CG 4.01Å; T1544-Q1548 WeakPolarHBondContact O-CB 3.33Å; T1544-Q1548 WeakPolarHBondContact O-CG 3.39Å; T1544-Q1548 PolarHBondContact O-N 2.85Å |
| 1545 | K | 78.9 | Confident | 83.3 | Confident | 72 Ų | 72 | 13.5 Ų | 13.5 | 31% | 0.313 | 6% | 0.061 | S | C | . | . | H | α-helix | trans | -65.6 | -39.5 | -177.2 | -74.9 | 169.3 | 169.9 | 173.4 | 0 | 111.7 | T1519 D1540 N1542 P1543 Q1548 A1549 | T1519-K1545 HydrophobicContact CG2-CB 4.46Å; D1540-K1545 HydrophobicContact CB-CD 4.34Å; D1540-K1545 WeakPolarHBondContact OD2-CD 3.37Å; D1540-K1545 WeakPolarHBondContact OD2-CE 3.5Å; D1540-K1545 IonicContact OD2-NZ 3.77Å; D1540-K1545 PolarHBondContact OD2-NZ 2.73Å; N1542-K1545 PolarHBondContact O-N 3.49Å; P1543-K1545 VanDerWaalsContact C-N 3.27Å; P1543-K1545 PolarHBondContact O-N 3.47Å; K1545-Q1548 PolarHBondContact O-N 3.06Å; K1545-A1549 WeakPolarHBondContact O-CB 3.48Å; K1545-A1549 PolarHBondContact O-N 3.36Å |
| 1546 | D | 83.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.6 | -42.6 | 176.5 | -65.4 | 5.2 | 0 | 0 | 0 | 110.2 | F1536 H1539 P1543 T1544 A1549 M1550 Q1581 | F1536-D1546 HydrophobicContact CD1-CB 4.4Å; F1536-D1546 HydrophobicContact CE1-CB 3.88Å; F1536-D1546 HydrophobicContact CZ-CB 4.1Å; F1536-D1546 VanDerWaalsContact CZ-O 3.26Å; F1536-D1546 WeakPolarHBondContact CZ-O 3.2Å; H1539-D1546 IonicContact CG-OD2 2.77Å; H1539-D1546 IonicContact ND1-OD2 3.93Å; H1539-D1546 PolarHBondContact ND1-OD2 3.2Å; H1539-D1546 VanDerWaalsContact ND1-OD2 3.09Å; P1543-D1546 PolarHBondContact O-N 2.98Å; T1544-D1546 VanDerWaalsContact C-N 3.33Å; T1544-D1546 PolarHBondContact O-N 3.22Å; D1546-A1549 PolarHBondContact O-N 3.01Å; D1546-M1550 WeakPolarHBondContact O-CB 3.48Å; D1546-M1550 PolarHBondContact O-N 2.84Å; D1546-Q1581 PolarHBondContact OD2-NE2 2.89Å |
| 1547 | I | 81.6 | Confident | 81.5 | Confident | 39 Ų | 39 | 19.6 Ų | 19.6 | 20% | 0.2 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 175.6 | -65.2 | 166.6 | 0 | 0 | 0 | 111.2 | P1543 T1544 A1549 M1550 D1551 | P1543-I1547 WeakPolarHBondContact O-CG1 3.46Å; P1543-I1547 PolarHBondContact O-N 3.35Å; T1544-I1547 PolarHBondContact O-N 3.43Å; I1547-A1549 VanDerWaalsContact C-N 3.3Å; I1547-A1549 PolarHBondContact O-N 2.8Å; I1547-M1550 HydrophobicContact CB-CE 4.47Å; I1547-M1550 HydrophobicContact CG1-CE 4.31Å; I1547-M1550 PolarHBondContact O-N 2.88Å; I1547-D1551 WeakPolarHBondContact O-CB 3.2Å; I1547-D1551 PolarHBondContact O-N 3.43Å |
| 1548 | Q | 80.7 | Confident | 81.1 | Confident | 21 Ų | 21 | 20.3 Ų | 20.3 | 10% | 0.098 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.1 | -34.6 | 178 | -72.6 | -175 | -2.2 | 0 | 0 | 112.9 | M1116 T1544 K1545 R1552 | M1116-Q1548 HydrophobicContact CE-CG 4.17Å; M1116-Q1548 HydrophobicContact SD-CB 4.03Å; M1116-Q1548 HydrophobicContact SD-CG 3.56Å; M1116-Q1548 VanDerWaalsContact SD-CG 3.56Å; T1544-Q1548 HydrophobicContact CG2-CG 4.01Å; T1544-Q1548 WeakPolarHBondContact O-CB 3.33Å; T1544-Q1548 WeakPolarHBondContact O-CG 3.39Å; T1544-Q1548 PolarHBondContact O-N 2.85Å; K1545-Q1548 PolarHBondContact O-N 3.06Å; Q1548-R1552 WeakPolarHBondContact O-CG 3.46Å; Q1548-R1552 PolarHBondContact O-NE 3.49Å |
| 1549 | A | 81.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.3 | -44.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1463 T1519 F1536 K1545 D1546 I1547 D1551 R1552 | F1463-A1549 HydrophobicContact CD1-CB 4.17Å; F1463-A1549 HydrophobicContact CD2-CB 4.49Å; F1463-A1549 HydrophobicContact CE1-CB 3.85Å; F1463-A1549 HydrophobicContact CE2-CB 4.18Å; F1463-A1549 HydrophobicContact CG-CB 4.5Å; F1463-A1549 HydrophobicContact CZ-CB 3.85Å; T1519-A1549 HydrophobicContact CG2-CB 4.23Å; F1536-A1549 HydrophobicContact CE1-CB 4.23Å; F1536-A1549 HydrophobicContact CZ-CB 4.27Å; K1545-A1549 WeakPolarHBondContact O-CB 3.48Å; K1545-A1549 PolarHBondContact O-N 3.36Å; D1546-A1549 PolarHBondContact O-N 3.01Å; I1547-A1549 VanDerWaalsContact C-N 3.3Å; I1547-A1549 PolarHBondContact O-N 2.8Å; A1549-D1551 PolarHBondContact O-N 2.79Å; A1549-R1552 WeakPolarHBondContact O-CB 3.43Å; A1549-R1552 WeakPolarHBondContact O-CG 3.37Å; A1549-R1552 PolarHBondContact O-N 2.81Å |
| 1550 | M | 84.3 | Confident | 80.6 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.02 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 175.2 | 174.6 | 179.4 | 45.1 | 0 | 0 | 112.3 | K1327 I1329 F1536 D1546 I1547 R1552 A1553 H1554 L1562 V1564 | K1327-M1550 HydrophobicContact CD-SD 4.28Å; I1329-M1550 HydrophobicContact CD1-CE 4.3Å; I1329-M1550 HydrophobicContact CD1-SD 4.09Å; I1329-M1550 HydrophobicContact CG1-SD 4.29Å; F1536-M1550 HydrophobicContact CE2-CB 4.23Å; F1536-M1550 HydrophobicContact CZ-CB 4.15Å; D1546-M1550 WeakPolarHBondContact O-CB 3.48Å; D1546-M1550 PolarHBondContact O-N 2.84Å; I1547-M1550 HydrophobicContact CB-CE 4.47Å; I1547-M1550 HydrophobicContact CG1-CE 4.31Å; I1547-M1550 PolarHBondContact O-N 2.88Å; M1550-R1552 PolarHBondContact O-N 2.9Å; M1550-A1553 PolarHBondContact O-N 2.87Å; M1550-A1553 VanDerWaalsContact O-N 3.07Å; M1550-H1554 PolarHBondContact O-N 2.97Å; M1550-L1562 HydrophobicContact CG-CD2 4.31Å; M1550-V1564 HydrophobicContact CG-CG2 3.96Å; M1550-V1564 HydrophobicContact SD-CB 4.31Å; M1550-V1564 HydrophobicContact SD-CG1 4Å; M1550-V1564 HydrophobicContact SD-CG2 3.71Å |
| 1551 | D | 81.7 | Confident | 80.7 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -7 | 179.3 | -85 | -18.2 | 0 | 0 | 0 | 114.2 | M1116 K1317 K1327 I1547 A1549 | M1116-D1551 HydrophobicContact CB-CB 4.27Å; M1116-D1551 HydrophobicContact SD-CB 4.41Å; K1317-D1551 VanDerWaalsContact NZ-CG 3.28Å; K1317-D1551 IonicContact NZ-OD1 2.63Å; K1317-D1551 PolarHBondContact NZ-OD1 3.42Å; K1317-D1551 IonicContact NZ-OD2 3Å; K1327-D1551 IonicContact NZ-OD1 2.78Å; I1547-D1551 WeakPolarHBondContact O-CB 3.2Å; I1547-D1551 PolarHBondContact O-N 3.43Å; A1549-D1551 PolarHBondContact O-N 2.79Å |
| 1552 | R | 80.2 | Confident | 81.2 | Confident | 17 Ų | 17 | 32.7 Ų | 32.7 | 6% | 0.064 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -31 | 171.2 | -54.5 | -61.4 | 152 | -170.5 | 9.9 | 112.9 | G1522 G1523 L1526 L1528 Q1548 A1549 M1550 | G1522-R1552 VanDerWaalsContact O-CG 3.25Å; G1522-R1552 WeakPolarHBondContact O-CG 3.27Å; G1523-R1552 PolarHBondContact O-NH2 2.93Å; G1523-R1552 VanDerWaalsContact O-NH2 3.1Å; L1526-R1552 WeakPolarHBondContact O-CD 3.21Å; L1528-R1552 CarbonylContact C-O 3.55Å; L1528-R1552 HydrophobicContact CB-CB 4.31Å; L1528-R1552 HydrophobicContact CD1-CB 4.17Å; L1528-R1552 HydrophobicContact CG-CB 4.38Å; L1528-R1552 PolarHBondContact N-O 3.49Å; Q1548-R1552 WeakPolarHBondContact O-CG 3.46Å; Q1548-R1552 PolarHBondContact O-NE 3.49Å; A1549-R1552 WeakPolarHBondContact O-CB 3.43Å; A1549-R1552 WeakPolarHBondContact O-CG 3.37Å; A1549-R1552 PolarHBondContact O-N 2.81Å; M1550-R1552 PolarHBondContact O-N 2.9Å |
| 1553 | A | 83 | Confident | 81.8 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -37.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1461 V1534 M1550 R1555 Q1558 L1562 | L1461-A1553 HydrophobicContact CD1-CB 4.01Å; V1534-A1553 HydrophobicContact CG2-CB 4.03Å; M1550-A1553 PolarHBondContact O-N 2.87Å; M1550-A1553 VanDerWaalsContact O-N 3.07Å; A1553-R1555 VanDerWaalsContact C-N 3.25Å; A1553-R1555 PolarHBondContact O-N 3.06Å; A1553-Q1558 PolarHBondContact O-NE2 2.82Å; A1553-L1562 HydrophobicContact CB-CD1 3.72Å; A1553-L1562 HydrophobicContact CB-CD2 4.11Å |
| 1554 | H | 83.2 | Confident | 82.2 | Confident | 9 Ų | 9 | 33.9 Ų | 33.9 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -82.2 | 64.7 | 175 | -160.6 | -117.6 | 0 | 0 | 0 | 112.2 | K1317 L1324 P1325 M1550 L1562 | K1317-H1554 PolarHBondContact NZ-O 2.85Å; L1324-H1554 WeakPolarHBondContact CD2-CE1 3.29Å; L1324-H1554 WeakPolarHBondContact CD2-NE2 3.36Å; P1325-H1554 PolarHBondContact O-NE2 3.04Å; M1550-H1554 PolarHBondContact O-N 2.97Å; H1554-L1562 HydrophobicContact CB-CD2 3.6Å |
| 1555 | R | 81 | Confident | 82.9 | Confident | 59 Ų | 59 | 35 Ų | 35 | 22% | 0.223 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -126.6 | 155.8 | -175.9 | -158.5 | 168.4 | -177.6 | 179.2 | -1.9 | 111.6 | L1324 I1529 A1553 G1557 Q1558 | L1324-R1555 WeakPolarHBondContact CD1-O 3.21Å; I1529-R1555 HydrophobicContact CG2-CB 4.1Å; A1553-R1555 VanDerWaalsContact C-N 3.25Å; A1553-R1555 PolarHBondContact O-N 3.06Å; R1555-G1557 PolarHBondContact O-N 2.72Å; R1555-G1557 VanDerWaalsContact O-N 3.17Å; R1555-Q1558 VanDerWaalsContact O-CB 3.27Å; R1555-Q1558 WeakPolarHBondContact O-CB 3.43Å; R1555-Q1558 PolarHBondContact O-N 2.82Å |
| 1556 | I | 73.4 | Confident | 83.6 | Confident | 73 Ų | 73 | 32.9 Ų | 32.9 | 37% | 0.374 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 121.7 | 175.2 | -59.1 | 175.5 | 0 | 0 | 0 | 109 | G1117 | G1117-I1556 WeakPolarHBondContact O-CD1 3.37Š|
| 1557 | G | 74.2 | Confident | 84 | Confident | 55 Ų | 55 | 32.9 Ų | 32.9 | 57% | 0.567 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 115.1 | -14.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1555 S1559 | R1555-G1557 PolarHBondContact O-N 2.72Å; R1555-G1557 VanDerWaalsContact O-N 3.17Å; G1557-S1559 PolarHBondContact O-N 3Å |
| 1558 | Q | 81.9 | Confident | 84.4 | Confident | 15 Ų | 15 | 31.1 Ų | 31.1 | 7% | 0.07 | 17% | 0.168 | C | C | . | . | trans | -68.8 | 123.1 | 170.4 | 178.7 | 57.8 | -86.2 | 0 | 0 | 110.4 | L1324 P1325 I1529 A1531 A1553 R1555 R1560 | L1324-Q1558 HydrophobicContact CD1-CB 4.41Å; P1325-Q1558 WeakPolarHBondContact CD-O 3.46Å; P1325-Q1558 HydrophobicContact CG-CG 4.13Å; I1529-Q1558 PolarHBondContact O-NE2 2.95Å; I1529-Q1558 VanDerWaalsContact O-NE2 3.08Å; A1531-Q1558 PolarHBondContact O-NE2 3.24Å; A1553-Q1558 PolarHBondContact O-NE2 2.82Å; R1555-Q1558 VanDerWaalsContact O-CB 3.27Å; R1555-Q1558 WeakPolarHBondContact O-CB 3.43Å; R1555-Q1558 PolarHBondContact O-N 2.82Å; Q1558-R1560 WeakPolarHBondContact CG-O 3.44Å | ||
| 1559 | S | 80.5 | Confident | 84.7 | Confident | 106 Ų | 106 | 30.1 Ų | 30.1 | 74% | 0.741 | 16% | 0.164 | S | C | * | . | trans | -98.3 | -15.8 | 179.4 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | G1557 | G1557-S1559 PolarHBondContact O-N 3Š| ||
| 1560 | R | 83.5 | Confident | 84.9 | Confident | 128 Ų | 128 | 34.6 Ų | 34.6 | 48% | 0.483 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -112.9 | 152.2 | -176.8 | -63.8 | -177.5 | -179.8 | -179.9 | -1 | 111.9 | P1325 P1457 D1532 Q1558 L1562 | P1325-R1560 VanDerWaalsContact CG-O 3.25Å; P1325-R1560 WeakPolarHBondContact CG-O 3.47Å; P1457-R1560 PolarHBondContact O-NH1 2.81Å; D1532-R1560 HydrophobicContact CB-CB 4.04Å; D1532-R1560 IonicContact OD2-NH1 2.69Å; D1532-R1560 PolarHBondContact OD2-NH1 2.86Å; Q1558-R1560 WeakPolarHBondContact CG-O 3.44Å; R1560-L1562 PolarHBondContact O-N 2.93Å |
| 1561 | T | 86.3 | Confident | 84.5 | Confident | 61 Ų | 61 | 37.4 Ų | 37.4 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -59.9 | 131.5 | 171.9 | -55 | 0 | 0 | 0 | 0 | 110 | P1326 I1328 | P1326-T1561 HydrophobicContact CG-CG2 4.19Å; P1326-T1561 VanDerWaalsContact O-CG2 3.28Å; P1326-T1561 WeakPolarHBondContact O-CG2 3.33Å; I1328-T1561 HydrophobicContact CD1-CG2 3.98Å; I1328-T1561 HydrophobicContact CG1-CG2 4.25Å |
| 1562 | L | 88.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 118.5 | -179.1 | -172.7 | 73.9 | 0 | 0 | 0 | 110.2 | P1326 K1327 I1328 D1532 V1534 M1550 A1553 H1554 R1560 V1564 | P1326-L1562 PolarHBondContact O-N 3.09Å; K1327-L1562 CarbonylContact C-O 3.54Å; K1327-L1562 WeakPolarHBondContact CA-O 3.2Å; K1327-L1562 HydrophobicContact CB-CB 4.38Å; I1328-L1562 PolarHBondContact N-O 3.4Å; D1532-L1562 WeakPolarHBondContact O-CA 3.49Å; V1534-L1562 HydrophobicContact CG2-CD1 3.88Å; V1534-L1562 HydrophobicContact CG2-CD2 4.38Å; V1534-L1562 HydrophobicContact CG2-CG 4.4Å; M1550-L1562 HydrophobicContact CG-CD2 4.31Å; A1553-L1562 HydrophobicContact CB-CD1 3.72Å; A1553-L1562 HydrophobicContact CB-CD2 4.11Å; H1554-L1562 HydrophobicContact CB-CD2 3.6Å; R1560-L1562 PolarHBondContact O-N 2.93Å; L1562-V1564 HydrophobicContact CD2-CG2 3.98Å; L1562-V1564 HydrophobicContact CG-CG2 4.05Å |
| 1563 | N | 91.1 | Very high | 84.8 | Confident | 41 Ų | 41 | 37.4 Ų | 37.4 | 22% | 0.219 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 124.3 | 173.8 | -66.8 | -34.1 | 0 | 0 | 0 | 110 | D1532 V1533 V1534 Y1565 | D1532-N1563 PolarHBondContact O-N 2.99Å; V1533-N1563 CarbonylContact C-O 3.58Å; V1533-N1563 WeakPolarHBondContact CA-O 3.21Å; V1534-N1563 PolarHBondContact N-O 3.42Å; N1563-Y1565 HydrophobicContact CB-CE2 3.86Å |
| 1564 | V | 90.6 | Very high | 84.8 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 109.7 | -176.5 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | I1328 I1329 Q1330 V1534 F1536 M1550 L1562 | I1328-V1564 PolarHBondContact O-N 3.01Å; I1329-V1564 CarbonylContact C-O 3.27Å; I1329-V1564 WeakPolarHBondContact CA-O 3.48Å; I1329-V1564 HydrophobicContact CG1-CB 4.21Å; Q1330-V1564 PolarHBondContact N-O 2.72Å; V1534-V1564 HydrophobicContact CB-CG1 4.41Å; V1534-V1564 HydrophobicContact CB-CG2 4.25Å; V1534-V1564 HydrophobicContact CG1-CG1 4.34Å; V1534-V1564 CarbonylContact O-C 3.54Å; V1534-V1564 VanDerWaalsContact O-CA 3.29Å; V1534-V1564 WeakPolarHBondContact O-CA 3.47Å; F1536-V1564 HydrophobicContact CD2-CG1 3.9Å; F1536-V1564 HydrophobicContact CE2-CG1 3.79Å; M1550-V1564 HydrophobicContact CG-CG2 3.96Å; M1550-V1564 HydrophobicContact SD-CB 4.31Å; M1550-V1564 HydrophobicContact SD-CG1 4Å; M1550-V1564 HydrophobicContact SD-CG2 3.71Å; L1562-V1564 HydrophobicContact CD2-CG2 3.98Å; L1562-V1564 HydrophobicContact CG-CG2 4.05Å |
| 1565 | Y | 92.6 | Very high | 84.7 | Confident | 29 Ų | 29 | 40 Ų | 40 | 11% | 0.114 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130.1 | 177.8 | -62.8 | -83 | 0 | 0 | 0 | 110.6 | Q1330 L1436 V1533 V1534 I1535 F1536 N1563 | Q1330-Y1565 HydrophobicContact CB-CD1 4.16Å; Q1330-Y1565 HydrophobicContact CB-CE1 4.37Å; Q1330-Y1565 WeakPolarHBondContact O-CA 3.04Å; L1436-Y1565 HydrophobicContact CD1-CD1 4.41Å; L1436-Y1565 HydrophobicContact CD1-CG 4.26Å; L1436-Y1565 HydrophobicContact CD2-CD1 3.72Å; L1436-Y1565 HydrophobicContact CD2-CE1 3.82Å; L1436-Y1565 HydrophobicContact CD2-CG 4.18Å; V1533-Y1565 HydrophobicContact CG1-CD2 3.95Å; V1533-Y1565 HydrophobicContact CG1-CE2 3.98Å; V1534-Y1565 PolarHBondContact O-N 3.46Å; I1535-Y1565 WeakPolarHBondContact CA-O 3.27Å; I1535-Y1565 HydrophobicContact CG1-CD2 4.38Å; F1536-Y1565 PolarHBondContact N-O 3.33Å; N1563-Y1565 HydrophobicContact CB-CE2 3.86Å |
| 1566 | R | 92.6 | Very high | 84.5 | Confident | 27 Ų | 27 | 39.4 Ų | 39.4 | 10% | 0.102 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 108.5 | 177.5 | -64.7 | -170.3 | 172.7 | 168 | -3.4 | 109.5 | I1329 Q1330 D1331 Y1332 F1536 I1568 | I1329-R1566 HydrophobicContact CG2-CG 4.34Å; Q1330-R1566 PolarHBondContact O-N 3.14Å; D1331-R1566 WeakPolarHBondContact OD1-CD 3.48Å; Y1332-R1566 PolarHBondContact N-O 2.87Å; F1536-R1566 HydrophobicContact CD2-CG 4.38Å; R1566-I1568 PolarHBondContact O-N 3.44Å |
| 1567 | L | 91.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 115 | 179 | -66 | -177.9 | 0 | 0 | 0 | 110 | Y1332 A1432 L1433 L1436 I1535 F1536 F1537 | Y1332-L1567 HydrophobicContact CD1-CD2 3.69Å; Y1332-L1567 HydrophobicContact CG-CD2 4.15Å; A1432-L1567 HydrophobicContact CB-CD2 3.92Å; L1433-L1567 HydrophobicContact CB-CD1 4.48Å; L1436-L1567 HydrophobicContact CD1-CD2 3.68Å; I1535-L1567 HydrophobicContact CG2-CD1 4.38Å; I1535-L1567 HydrophobicContact CG2-CG 4.46Å; F1536-L1567 PolarHBondContact O-N 3.08Å; F1537-L1567 HydrophobicContact CD2-CD1 3.83Å; F1537-L1567 HydrophobicContact CE2-CD1 4.33Å |
| 1568 | I | 90.2 | Very high | 85.2 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.7 | -177.3 | -58 | 162.8 | 0 | 0 | 0 | 109.4 | D1331 Y1332 Y1333 C1334 R1566 E1574 E1575 M1578 | D1331-I1568 HydrophobicContact CB-CD1 3.83Å; Y1332-I1568 PolarHBondContact O-N 3.19Å; Y1333-I1568 CarbonylContact C-O 3.52Å; Y1333-I1568 VanDerWaalsContact CA-O 3.28Å; Y1333-I1568 WeakPolarHBondContact CA-O 3.45Å; Y1333-I1568 HydrophobicContact CD1-CB 4.19Å; Y1333-I1568 HydrophobicContact CD1-CG2 4.15Å; Y1333-I1568 HydrophobicContact CE1-CB 4.36Å; Y1333-I1568 HydrophobicContact CE1-CD1 4.47Å; Y1333-I1568 HydrophobicContact CE1-CG2 4.09Å; C1334-I1568 PolarHBondContact N-O 3.23Å; R1566-I1568 PolarHBondContact O-N 3.44Å; I1568-E1574 HydrophobicContact CG2-CB 4.45Å; I1568-E1575 HydrophobicContact CG2-CG 3.99Å; I1568-M1578 HydrophobicContact CD1-CE 4.17Å; I1568-M1578 HydrophobicContact CD1-CG 3.75Å; I1568-M1578 HydrophobicContact CD1-SD 4.32Å; I1568-M1578 HydrophobicContact CG1-CG 3.89Å; I1568-M1578 HydrophobicContact CG1-SD 4.43Å; I1568-M1578 HydrophobicContact CG2-CG 4.26Å |
| 1569 | T | 87.7 | Confident | 85 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 121.4 | 178.8 | -38.7 | 0 | 0 | 0 | 0 | 111.9 | C1334 L1336 K1429 T1572 E1574 | C1334-T1569 CarbonylContact O-C 3.54Å; C1334-T1569 WeakPolarHBondContact O-CA 3.28Å; L1336-T1569 HydrophobicContact CD2-CG2 3.58Å; L1336-T1569 HydrophobicContact CG-CG2 3.64Å; K1429-T1569 WeakPolarHBondContact CE-OG1 3.13Å; T1569-T1572 HydrophobicContact CG2-CG2 3.71Å; T1569-T1572 PolarHBondContact O-OG1 3.31Å; T1569-E1574 VanDerWaalsContact CB-OE2 3.29Å; T1569-E1574 WeakPolarHBondContact CB-OE2 3.39Å; T1569-E1574 PolarHBondContact N-OE2 3.43Å; T1569-E1574 PolarHBondContact OG1-OE2 3.44Å |
| 1570 | Q | 84.4 | Confident | 84.8 | Confident | 93 Ų | 93 | 34 Ų | 34 | 44% | 0.435 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 140.8 | -175.2 | -68.8 | -174.9 | -13.1 | 0 | 0 | 113.6 | Y1333 C1334 T1572 E1575 | Y1333-Q1570 VanDerWaalsContact CB-NE2 3.28Å; Y1333-Q1570 HydrophobicContact CD1-CG 3.77Å; Y1333-Q1570 HydrophobicContact CG-CG 4.15Å; C1334-Q1570 PolarHBondContact O-N 3.44Å; Q1570-T1572 WeakPolarHBondContact O-CG2 3.25Å; Q1570-T1572 PolarHBondContact O-N 2.95Å; Q1570-E1575 VanDerWaalsContact CA-OE1 3.25Å; Q1570-E1575 WeakPolarHBondContact CA-OE1 3.43Å |
| 1571 | G | 77.8 | Confident | 84.6 | Confident | 64 Ų | 64 | 28 Ų | 28 | 66% | 0.66 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 10.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | E1575 | G1571-E1575 WeakPolarHBondContact CA-OE2 3.42Å; G1571-E1575 PolarHBondContact N-OE1 3.46Å; G1571-E1575 PolarHBondContact N-OE2 3.06Å |
| 1572 | T | 84.7 | Confident | 84.1 | Confident | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -107.3 | -177.1 | -174.7 | 75.8 | 0 | 0 | 0 | 0 | 112.9 | L1336 T1569 Q1570 E1574 | L1336-T1572 HydrophobicContact CD1-CG2 3.53Å; L1336-T1572 HydrophobicContact CD2-CG2 4.01Å; L1336-T1572 HydrophobicContact CG-CG2 3.78Å; T1569-T1572 HydrophobicContact CG2-CG2 3.71Å; T1569-T1572 PolarHBondContact O-OG1 3.31Å; Q1570-T1572 WeakPolarHBondContact O-CG2 3.25Å; Q1570-T1572 PolarHBondContact O-N 2.95Å; T1572-E1574 PolarHBondContact O-N 3.09Å; T1572-E1574 PolarHBondContact OG1-N 2.95Å; T1572-E1574 VanDerWaalsContact OG1-N 3.13Å |
| 1573 | L | 82.3 | Confident | 83.1 | Confident | 17 Ų | 17 | 34.4 Ų | 34.4 | 9% | 0.089 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.1 | -28.7 | 169.3 | -179.2 | 69.6 | 0 | 0 | 0 | 112.8 | Y1344 V1379 R1383 W1541 K1576 I1577 | Y1344-L1573 PolarHBondContact OH-N 3.11Å; V1379-L1573 HydrophobicContact CG1-CD2 3.8Å; R1383-L1573 HydrophobicContact CG-CD2 3.76Å; W1541-L1573 HydrophobicContact CH2-CD1 3.82Å; W1541-L1573 HydrophobicContact CH2-CG 4.31Å; W1541-L1573 HydrophobicContact CZ2-CD1 4.17Å; W1541-L1573 HydrophobicContact CZ2-CD2 4.26Å; W1541-L1573 HydrophobicContact CZ2-CG 4.35Å; L1573-K1576 WeakPolarHBondContact O-CB 3.42Å; L1573-K1576 PolarHBondContact O-N 3.4Å; L1573-K1576 VanDerWaalsContact O-N 3.15Å; L1573-I1577 HydrophobicContact CD2-CD1 4.44Å; L1573-I1577 HydrophobicContact CG-CD1 4.24Å; L1573-I1577 HydrophobicContact CG-CG1 4.39Å; L1573-I1577 WeakPolarHBondContact O-CG1 3.47Å; L1573-I1577 PolarHBondContact O-N 3.39Å |
| 1574 | E | 83.1 | Confident | 82.3 | Confident | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.028 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.8 | -37.9 | -174.5 | -59.2 | -165.1 | 129.2 | 0 | 0 | 113.6 | C1386 K1429 I1568 T1569 T1572 K1576 I1577 M1578 | C1386-E1574 HydrophobicContact CB-CG 4.45Å; K1429-E1574 WeakPolarHBondContact CE-OE1 3.08Å; K1429-E1574 WeakPolarHBondContact CE-OE2 3.34Å; K1429-E1574 IonicContact NZ-OE1 3.04Å; K1429-E1574 PolarHBondContact NZ-OE1 3.2Å; K1429-E1574 IonicContact NZ-OE2 3.47Å; K1429-E1574 PolarHBondContact NZ-OE2 3.42Å; I1568-E1574 HydrophobicContact CG2-CB 4.45Å; T1569-E1574 VanDerWaalsContact CB-OE2 3.29Å; T1569-E1574 WeakPolarHBondContact CB-OE2 3.39Å; T1569-E1574 PolarHBondContact N-OE2 3.43Å; T1569-E1574 PolarHBondContact OG1-OE2 3.44Å; T1572-E1574 PolarHBondContact O-N 3.09Å; T1572-E1574 PolarHBondContact OG1-N 2.95Å; T1572-E1574 VanDerWaalsContact OG1-N 3.13Å; E1574-K1576 PolarHBondContact O-N 3.45Å; E1574-I1577 WeakPolarHBondContact O-CB 3.3Å; E1574-I1577 PolarHBondContact O-N 3.18Å; E1574-I1577 VanDerWaalsContact O-N 3.08Å; E1574-M1578 WeakPolarHBondContact O-CG 3.37Å; E1574-M1578 PolarHBondContact O-N 2.97Å |
| 1575 | E | 81.3 | Confident | 81.5 | Confident | 59 Ų | 59 | 35.1 Ų | 35.1 | 28% | 0.276 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.8 | -39.6 | 171.4 | -76.2 | -179 | 162.1 | 0 | 0 | 110.7 | I1568 Q1570 G1571 M1578 E1579 | I1568-E1575 HydrophobicContact CG2-CG 3.99Å; Q1570-E1575 VanDerWaalsContact CA-OE1 3.25Å; Q1570-E1575 WeakPolarHBondContact CA-OE1 3.43Å; G1571-E1575 WeakPolarHBondContact CA-OE2 3.42Å; G1571-E1575 PolarHBondContact N-OE1 3.46Å; G1571-E1575 PolarHBondContact N-OE2 3.06Å; E1575-M1578 WeakPolarHBondContact O-CB 3.29Å; E1575-M1578 PolarHBondContact O-N 3.16Å; E1575-E1579 WeakPolarHBondContact O-CG 3.47Å; E1575-E1579 PolarHBondContact O-N 3.14Å |
| 1576 | K | 75.9 | Confident | 80.4 | Confident | 45 Ų | 45 | 35.8 Ų | 35.8 | 20% | 0.196 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.5 | -35.7 | 176.4 | -58.1 | -175.7 | 178.9 | 175.9 | 0 | 112.7 | L1573 E1574 M1578 E1579 Q1580 A1636 | L1573-K1576 WeakPolarHBondContact O-CB 3.42Å; L1573-K1576 PolarHBondContact O-N 3.4Å; L1573-K1576 VanDerWaalsContact O-N 3.15Å; E1574-K1576 PolarHBondContact O-N 3.45Å; K1576-M1578 VanDerWaalsContact C-N 3.27Å; K1576-E1579 PolarHBondContact O-N 3.44Å; K1576-Q1580 WeakPolarHBondContact O-CB 3.37Å; K1576-Q1580 WeakPolarHBondContact O-CG 3.27Å; K1576-Q1580 PolarHBondContact O-N 2.88Å; K1576-A1636 PolarHBondContact NZ-O 2.57Å |
| 1577 | I | 80.9 | Confident | 79.1 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 172 | -65.3 | 170.3 | 0 | 0 | 0 | 109 | H1539 D1540 W1541 L1573 E1574 Q1580 Q1581 | H1539-I1577 HydrophobicContact CB-CG2 4.3Å; D1540-I1577 WeakPolarHBondContact O-CG2 3.29Å; W1541-I1577 HydrophobicContact CD2-CD1 4.42Å; W1541-I1577 HydrophobicContact CD2-CG1 3.83Å; W1541-I1577 HydrophobicContact CD2-CG2 4.36Å; W1541-I1577 HydrophobicContact CE3-CB 4.18Å; W1541-I1577 HydrophobicContact CE3-CG1 3.65Å; W1541-I1577 HydrophobicContact CE3-CG2 4.22Å; W1541-I1577 HydrophobicContact CH2-CD1 4.28Å; W1541-I1577 HydrophobicContact CH2-CG1 3.46Å; W1541-I1577 VanDerWaalsContact CH2-CG1 3.46Å; W1541-I1577 HydrophobicContact CZ2-CD1 3.95Å; W1541-I1577 HydrophobicContact CZ2-CG1 3.61Å; W1541-I1577 HydrophobicContact CZ3-CB 4.19Å; W1541-I1577 HydrophobicContact CZ3-CG1 3.46Å; W1541-I1577 VanDerWaalsContact CZ3-CG1 3.46Å; L1573-I1577 HydrophobicContact CD2-CD1 4.44Å; L1573-I1577 HydrophobicContact CG-CD1 4.24Å; L1573-I1577 HydrophobicContact CG-CG1 4.39Å; L1573-I1577 WeakPolarHBondContact O-CG1 3.47Å; L1573-I1577 PolarHBondContact O-N 3.39Å; E1574-I1577 WeakPolarHBondContact O-CB 3.3Å; E1574-I1577 PolarHBondContact O-N 3.18Å; E1574-I1577 VanDerWaalsContact O-N 3.08Å; I1577-Q1580 PolarHBondContact O-N 3.25Å; I1577-Q1581 HydrophobicContact CG2-CG 4.48Å; I1577-Q1581 WeakPolarHBondContact O-CG 3.41Å; I1577-Q1581 PolarHBondContact O-N 3.08Å |
| 1578 | M | 82.1 | Confident | 78 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.025 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.6 | -42 | 178.7 | -68 | -54.6 | -58.8 | 0 | 0 | 112.9 | H1539 I1568 E1574 E1575 K1576 Q1580 Q1581 R1582 | H1539-M1578 HydrophobicContact CB-SD 4.2Å; I1568-M1578 HydrophobicContact CD1-CE 4.17Å; I1568-M1578 HydrophobicContact CD1-CG 3.75Å; I1568-M1578 HydrophobicContact CD1-SD 4.32Å; I1568-M1578 HydrophobicContact CG1-CG 3.89Å; I1568-M1578 HydrophobicContact CG1-SD 4.43Å; I1568-M1578 HydrophobicContact CG2-CG 4.26Å; E1574-M1578 WeakPolarHBondContact O-CG 3.37Å; E1574-M1578 PolarHBondContact O-N 2.97Å; E1575-M1578 WeakPolarHBondContact O-CB 3.29Å; E1575-M1578 PolarHBondContact O-N 3.16Å; K1576-M1578 VanDerWaalsContact C-N 3.27Å; M1578-Q1580 VanDerWaalsContact C-N 3.28Å; M1578-Q1580 PolarHBondContact O-N 3.39Å; M1578-Q1581 PolarHBondContact O-N 3.46Å; M1578-R1582 WeakPolarHBondContact O-CB 3.31Å; M1578-R1582 VanDerWaalsContact O-CG 3.3Å; M1578-R1582 WeakPolarHBondContact O-CG 3.37Å; M1578-R1582 PolarHBondContact O-N 3.46Å |
| 1579 | E | 77 | Confident | 77 | Confident | 106 Ų | 106 | 38 Ų | 38 | 50% | 0.495 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -57 | -44 | 171.6 | -74.2 | 173.1 | -177 | 0 | 0 | 111.1 | E1575 K1576 R1582 F1583 | E1575-E1579 WeakPolarHBondContact O-CG 3.47Å; E1575-E1579 PolarHBondContact O-N 3.14Å; K1576-E1579 PolarHBondContact O-N 3.44Å; E1579-R1582 PolarHBondContact O-N 2.87Å; E1579-F1583 WeakPolarHBondContact O-CB 3.39Å; E1579-F1583 PolarHBondContact O-N 3.14Å |
| 1580 | Q | 76.2 | Confident | 76 | Confident | 22 Ų | 22 | 38.5 Ų | 38.5 | 10% | 0.103 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.7 | -39.4 | 176.8 | -73.8 | -170.5 | 0.1 | 0 | 0 | 113.2 | K1576 I1577 M1578 F1583 K1584 H1640 | K1576-Q1580 WeakPolarHBondContact O-CB 3.37Å; K1576-Q1580 WeakPolarHBondContact O-CG 3.27Å; K1576-Q1580 PolarHBondContact O-N 2.88Å; I1577-Q1580 PolarHBondContact O-N 3.25Å; M1578-Q1580 VanDerWaalsContact C-N 3.28Å; M1578-Q1580 PolarHBondContact O-N 3.39Å; Q1580-F1583 PolarHBondContact O-N 3.22Å; Q1580-K1584 WeakPolarHBondContact O-CB 3.25Å; Q1580-K1584 WeakPolarHBondContact O-CG 3.14Å; Q1580-K1584 PolarHBondContact O-N 2.9Å; Q1580-H1640 PolarHBondContact NE2-CE1 3.22Å |
| 1581 | Q | 79.3 | Confident | 75.1 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.6 | -48.4 | 173.5 | -81.2 | -161.6 | -0.3 | 0 | 0 | 111.1 | D1540 P1543 D1546 I1577 M1578 F1583 K1584 N1585 | D1540-Q1581 PolarHBondContact O-NE2 3.24Å; P1543-Q1581 HydrophobicContact CB-CB 3.96Å; P1543-Q1581 HydrophobicContact CB-CG 3.91Å; P1543-Q1581 HydrophobicContact CG-CB 4.39Å; P1543-Q1581 HydrophobicContact CG-CG 4.44Å; D1546-Q1581 PolarHBondContact OD2-NE2 2.89Å; I1577-Q1581 HydrophobicContact CG2-CG 4.48Å; I1577-Q1581 WeakPolarHBondContact O-CG 3.41Å; I1577-Q1581 PolarHBondContact O-N 3.08Å; M1578-Q1581 PolarHBondContact O-N 3.46Å; Q1581-F1583 VanDerWaalsContact C-N 3.29Å; Q1581-F1583 PolarHBondContact O-N 3.1Å; Q1581-K1584 PolarHBondContact O-N 2.79Å; Q1581-N1585 WeakPolarHBondContact O-CB 3.28Å; Q1581-N1585 PolarHBondContact O-N 2.67Å |
| 1582 | R | 76.5 | Confident | 74.5 | Confident | 125 Ų | 125 | 31.2 Ų | 31.2 | 47% | 0.472 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -57.3 | -45.6 | 176.4 | -72.9 | 176.2 | -175 | 169.4 | 4.4 | 110.2 | D1331 M1578 E1579 Y1586 | D1331-R1582 IonicContact OD2-CZ 2.73Å; D1331-R1582 IonicContact OD2-NH2 3.49Å; D1331-R1582 PolarHBondContact OD2-NH2 3.49Å; M1578-R1582 WeakPolarHBondContact O-CB 3.31Å; M1578-R1582 VanDerWaalsContact O-CG 3.3Å; M1578-R1582 WeakPolarHBondContact O-CG 3.37Å; M1578-R1582 PolarHBondContact O-N 3.46Å; E1579-R1582 PolarHBondContact O-N 2.87Å; R1582-Y1586 WeakPolarHBondContact O-CB 3.46Å; R1582-Y1586 PolarHBondContact O-N 2.81Å |
| 1583 | F | 68 | Low | 73.3 | Confident | 71 Ų | 71 | 31.6 Ų | 31.6 | 31% | 0.311 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 175.8 | 178.6 | -93.3 | 0 | 0 | 0 | 113.5 | E1579 Q1580 Q1581 Y1586 M1587 | E1579-F1583 WeakPolarHBondContact O-CB 3.39Å; E1579-F1583 PolarHBondContact O-N 3.14Å; Q1580-F1583 PolarHBondContact O-N 3.22Å; Q1581-F1583 VanDerWaalsContact C-N 3.29Å; Q1581-F1583 PolarHBondContact O-N 3.1Å; F1583-Y1586 WeakPolarHBondContact O-CB 3.42Å; F1583-Y1586 PolarHBondContact O-N 2.83Å; F1583-M1587 HydrophobicContact CD1-CG 4.13Å; F1583-M1587 HydrophobicContact CE1-CG 3.54Å; F1583-M1587 HydrophobicContact CE1-SD 4.41Å; F1583-M1587 HydrophobicContact CE2-CE 4.35Å; F1583-M1587 HydrophobicContact CE2-CG 4.08Å; F1583-M1587 HydrophobicContact CE2-SD 4.34Å; F1583-M1587 HydrophobicContact CZ-CE 4.43Å; F1583-M1587 HydrophobicContact CZ-CG 3.51Å; F1583-M1587 HydrophobicContact CZ-SD 3.83Å; F1583-M1587 WeakPolarHBondContact O-CG 3.48Å; F1583-M1587 PolarHBondContact O-N 3.01Å |
| 1584 | K | 73.4 | Confident | 71.8 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.3 | -44.6 | 178.8 | -77.7 | 179.5 | -175.1 | -174.6 | 0 | 112 | Q1249 N1250 W1541 P1543 Q1580 Q1581 Y1586 M1587 A1588 E1647 | Q1249-K1584 WeakPolarHBondContact O-CB 3.36Å; N1250-K1584 WeakPolarHBondContact OD1-CE 3.31Å; N1250-K1584 PolarHBondContact OD1-NZ 3.3Å; W1541-K1584 PolarHBondContact O-NZ 2.8Å; P1543-K1584 HydrophobicContact CG-CB 3.97Å; Q1580-K1584 WeakPolarHBondContact O-CB 3.25Å; Q1580-K1584 WeakPolarHBondContact O-CG 3.14Å; Q1580-K1584 PolarHBondContact O-N 2.9Å; Q1581-K1584 PolarHBondContact O-N 2.79Å; K1584-Y1586 VanDerWaalsContact C-N 3.3Å; K1584-Y1586 PolarHBondContact O-N 2.92Å; K1584-M1587 PolarHBondContact O-N 2.87Å; K1584-A1588 WeakPolarHBondContact O-CB 3.25Å; K1584-A1588 PolarHBondContact O-N 2.89Å; K1584-E1647 WeakPolarHBondContact CE-OE1 3.42Å; K1584-E1647 IonicContact NZ-OE1 3.05Å; K1584-E1647 PolarHBondContact NZ-OE1 2.89Å |
| 1585 | N | 74 | Confident | 70.1 | Confident | 43 Ų | 43 | 39.5 Ų | 39.5 | 23% | 0.23 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | 173 | -76.1 | -21.7 | 0 | 0 | 0 | 110.8 | P1543 Q1581 M1587 A1588 D1589 | P1543-N1585 WeakPolarHBondContact CB-ND2 3.45Å; P1543-N1585 VanDerWaalsContact CB-OD1 3.24Å; P1543-N1585 WeakPolarHBondContact CB-OD1 3.44Å; P1543-N1585 WeakPolarHBondContact CG-OD1 2.93Å; Q1581-N1585 WeakPolarHBondContact O-CB 3.28Å; Q1581-N1585 PolarHBondContact O-N 2.67Å; N1585-M1587 PolarHBondContact O-N 3.06Å; N1585-A1588 PolarHBondContact O-N 3.03Å; N1585-D1589 WeakPolarHBondContact O-CB 3.23Å; N1585-D1589 PolarHBondContact O-N 2.83Å |
| 1586 | Y | 69.4 | Low | 68.7 | Low | 43 Ų | 43 | 37.7 Ų | 37.7 | 17% | 0.169 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -47.3 | 176.8 | 174.7 | -109.8 | 0 | 0 | 0 | 112.2 | R1582 F1583 K1584 A1588 D1589 V1590 L1607 M1610 L1611 | R1582-Y1586 WeakPolarHBondContact O-CB 3.46Å; R1582-Y1586 PolarHBondContact O-N 2.81Å; F1583-Y1586 WeakPolarHBondContact O-CB 3.42Å; F1583-Y1586 PolarHBondContact O-N 2.83Å; K1584-Y1586 VanDerWaalsContact C-N 3.3Å; K1584-Y1586 PolarHBondContact O-N 2.92Å; Y1586-A1588 PolarHBondContact O-N 2.92Å; Y1586-D1589 PolarHBondContact O-N 3.34Å; Y1586-V1590 HydrophobicContact CD1-CG2 4.43Å; Y1586-V1590 HydrophobicContact CD2-CG2 4.04Å; Y1586-V1590 HydrophobicContact CE1-CG2 3.9Å; Y1586-V1590 HydrophobicContact CE2-CG2 3.39Å; Y1586-V1590 HydrophobicContact CG-CG2 4.48Å; Y1586-V1590 WeakPolarHBondContact O-CB 3.47Å; Y1586-V1590 VanDerWaalsContact O-CG2 3.27Å; Y1586-V1590 WeakPolarHBondContact O-CG2 3.45Å; Y1586-V1590 PolarHBondContact O-N 3.05Å; Y1586-V1590 WeakPolarHBondContact OH-CG2 3.44Å; Y1586-L1607 PolarHBondContact OH-O 3.46Å; Y1586-M1610 HydrophobicContact CD2-CB 4.46Å; Y1586-M1610 WeakPolarHBondContact CE1-O 3.11Å; Y1586-M1610 HydrophobicContact CE2-CB 3.34Å; Y1586-M1610 HydrophobicContact CE2-CE 4.06Å; Y1586-M1610 HydrophobicContact CE2-CG 4.13Å; Y1586-M1610 HydrophobicContact CE2-SD 3.8Å; Y1586-M1610 VanDerWaalsContact OH-C 3.28Å; Y1586-M1610 WeakPolarHBondContact OH-CB 3.18Å; Y1586-L1611 HydrophobicContact CE1-CD2 3.76Å; Y1586-L1611 HydrophobicContact CE1-CG 3.93Å; Y1586-L1611 PolarHBondContact OH-N 2.93Å |
| 1587 | M | 65.1 | Low | 67.1 | Low | 22 Ų | 22 | 42 Ų | 42 | 11% | 0.108 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 174.5 | -71.9 | -70.2 | 95.2 | 0 | 0 | 113 | F1583 K1584 N1585 D1589 V1590 V1591 L1611 | F1583-M1587 HydrophobicContact CD1-CG 4.13Å; F1583-M1587 HydrophobicContact CE1-CG 3.54Å; F1583-M1587 HydrophobicContact CE1-SD 4.41Å; F1583-M1587 HydrophobicContact CE2-CE 4.35Å; F1583-M1587 HydrophobicContact CE2-CG 4.08Å; F1583-M1587 HydrophobicContact CE2-SD 4.34Å; F1583-M1587 HydrophobicContact CZ-CE 4.43Å; F1583-M1587 HydrophobicContact CZ-CG 3.51Å; F1583-M1587 HydrophobicContact CZ-SD 3.83Å; F1583-M1587 WeakPolarHBondContact O-CG 3.48Å; F1583-M1587 PolarHBondContact O-N 3.01Å; K1584-M1587 PolarHBondContact O-N 2.87Å; N1585-M1587 PolarHBondContact O-N 3.06Å; M1587-D1589 VanDerWaalsContact C-N 3.33Å; M1587-V1590 HydrophobicContact CE-CG2 4.5Å; M1587-V1591 WeakPolarHBondContact O-CG2 3.27Å; M1587-V1591 PolarHBondContact O-N 3.46Å; M1587-V1591 VanDerWaalsContact O-N 3.07Å; M1587-L1611 HydrophobicContact CE-CD2 3.6Å |
| 1588 | A | 69.2 | Low | 65.1 | Low | 10 Ų | 10 | 43.1 Ų | 43.1 | 8% | 0.083 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1248 K1584 N1585 Y1586 I1592 | V1248-A1588 HydrophobicContact CB-CB 4.42Å; V1248-A1588 VanDerWaalsContact O-CB 3.28Å; V1248-A1588 WeakPolarHBondContact O-CB 3.31Å; K1584-A1588 WeakPolarHBondContact O-CB 3.25Å; K1584-A1588 PolarHBondContact O-N 2.89Å; N1585-A1588 PolarHBondContact O-N 3.03Å; Y1586-A1588 PolarHBondContact O-N 2.92Å; A1588-I1592 WeakPolarHBondContact O-CB 3.35Å; A1588-I1592 VanDerWaalsContact O-CD1 3.23Å; A1588-I1592 WeakPolarHBondContact O-CD1 3.44Å; A1588-I1592 VanDerWaalsContact O-CG1 3.25Å; A1588-I1592 WeakPolarHBondContact O-CG1 3.39Å; A1588-I1592 PolarHBondContact O-N 3.27Å; A1588-I1592 VanDerWaalsContact O-N 3.13Å |
| 1589 | D | 69.4 | Low | 63.4 | Low | 44 Ų | 44 | 44.4 Ų | 44.4 | 24% | 0.235 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.2 | -38.3 | -179.9 | -72.1 | -19.8 | 0 | 0 | 0 | 112.5 | R1314 K1316 N1585 Y1586 M1587 G1593 | R1314-D1589 IonicContact CZ-OD1 3.23Å; R1314-D1589 VanDerWaalsContact CZ-OD1 3.26Å; R1314-D1589 IonicContact NH1-OD1 2.78Å; R1314-D1589 PolarHBondContact NH1-OD1 3.45Å; R1314-D1589 IonicContact NH2-OD1 3.77Å; R1314-D1589 PolarHBondContact NH2-OD1 3.13Å; K1316-D1589 IonicContact NZ-OD2 3.87Å; N1585-D1589 WeakPolarHBondContact O-CB 3.23Å; N1585-D1589 PolarHBondContact O-N 2.83Å; Y1586-D1589 PolarHBondContact O-N 3.34Å; M1587-D1589 VanDerWaalsContact C-N 3.33Å; D1589-G1593 VanDerWaalsContact O-CA 3.24Å; D1589-G1593 WeakPolarHBondContact O-CA 3.24Å; D1589-G1593 PolarHBondContact O-N 3.43Å |
| 1590 | V | 66.3 | Low | 61.5 | Low | 10 Ų | 10 | 42.1 Ų | 42.1 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.3 | -47 | 173.8 | 162.7 | 0 | 0 | 0 | 0 | 112.1 | L1301 Y1586 M1587 I1592 L1607 | L1301-V1590 HydrophobicContact CD1-CG1 4.44Å; L1301-V1590 HydrophobicContact CD2-CG1 3.54Å; L1301-V1590 HydrophobicContact CG-CG1 4.16Å; Y1586-V1590 HydrophobicContact CD1-CG2 4.43Å; Y1586-V1590 HydrophobicContact CD2-CG2 4.04Å; Y1586-V1590 HydrophobicContact CE1-CG2 3.9Å; Y1586-V1590 HydrophobicContact CE2-CG2 3.39Å; Y1586-V1590 HydrophobicContact CG-CG2 4.48Å; Y1586-V1590 WeakPolarHBondContact O-CB 3.47Å; Y1586-V1590 VanDerWaalsContact O-CG2 3.27Å; Y1586-V1590 WeakPolarHBondContact O-CG2 3.45Å; Y1586-V1590 PolarHBondContact O-N 3.05Å; Y1586-V1590 WeakPolarHBondContact OH-CG2 3.44Å; M1587-V1590 HydrophobicContact CE-CG2 4.5Å; V1590-I1592 VanDerWaalsContact C-N 3.34Å; V1590-L1607 HydrophobicContact CB-CD2 4.09Å; V1590-L1607 HydrophobicContact CG1-CD2 3.52Å; V1590-L1607 HydrophobicContact CG2-CD2 3.87Å |
| 1591 | V | 64.9 | Low | 59.8 | Low | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -76.1 | -27.6 | -172.5 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | V1252 L1255 L1301 H1305 M1587 | V1252-V1591 HydrophobicContact CG2-CG2 4.08Å; L1255-V1591 HydrophobicContact CD1-CB 4.35Å; L1255-V1591 HydrophobicContact CD1-CG1 3.18Å; L1301-V1591 HydrophobicContact CD1-CG2 3.79Å; H1305-V1591 PolarHBondContact ND1-O 3.38Å; M1587-V1591 WeakPolarHBondContact O-CG2 3.27Å; M1587-V1591 PolarHBondContact O-N 3.46Å; M1587-V1591 VanDerWaalsContact O-N 3.07Å |
| 1592 | I | 65.5 | Low | 57.9 | Low | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -101.6 | -16.4 | -176.8 | -50.9 | 157.4 | 0 | 0 | 0 | 111.9 | P1247 V1248 I1312 R1314 A1588 V1590 | P1247-I1592 HydrophobicContact CG-CD1 3.32Å; P1247-I1592 HydrophobicContact CG-CG1 4.08Å; V1248-I1592 HydrophobicContact CB-CD1 4.05Å; V1248-I1592 HydrophobicContact CG2-CD1 3.96Å; V1248-I1592 HydrophobicContact CG2-CG1 4.1Å; I1312-I1592 HydrophobicContact CG2-CG2 3.87Å; R1314-I1592 HydrophobicContact CB-CG2 4.09Å; R1314-I1592 VanDerWaalsContact CD-CG2 3.4Å; R1314-I1592 HydrophobicContact CG-CG2 4.39Å; A1588-I1592 WeakPolarHBondContact O-CB 3.35Å; A1588-I1592 VanDerWaalsContact O-CD1 3.23Å; A1588-I1592 WeakPolarHBondContact O-CD1 3.44Å; A1588-I1592 VanDerWaalsContact O-CG1 3.25Å; A1588-I1592 WeakPolarHBondContact O-CG1 3.39Å; A1588-I1592 PolarHBondContact O-N 3.27Å; A1588-I1592 VanDerWaalsContact O-N 3.13Å; V1590-I1592 VanDerWaalsContact C-N 3.34Å |
| 1593 | G | 59.8 | Low | 56.3 | Low | 11 Ų | 11 | 40.8 Ų | 40.8 | 11% | 0.113 | 21% | 0.211 | C | C | . | . | trans | 70.3 | 139.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D1589 | D1589-G1593 VanDerWaalsContact O-CA 3.24Å; D1589-G1593 WeakPolarHBondContact O-CA 3.24Å; D1589-G1593 PolarHBondContact O-N 3.43Å | ||
| 1594 | E | 51.5 | Low | 55.2 | Low | 120 Ų | 120 | 38.4 Ų | 38.4 | 56% | 0.561 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -78.7 | -4.5 | 162.1 | -69.6 | -172.6 | 141.7 | 0 | 0 | 111.9 | K1316 | K1316-E1594 IonicContact NZ-OE1 3.73Å; K1316-E1594 PolarHBondContact NZ-OE1 3.04Å |
| 1595 | E | 47.3 | Very low | 53.6 | Low | 69 Ų | 69 | 40.5 Ų | 40.5 | 32% | 0.322 | 21% | 0.214 | S | C | . | . | trans | -107.4 | 25.8 | -158 | -72.8 | -153.2 | -167.7 | 0 | 0 | 114.7 | K1597 S1598 L1599 | E1595-K1597 PolarHBondContact O-N 3.27Å; E1595-S1598 WeakPolarHBondContact CA-OG 3.49Å; E1595-S1598 WeakPolarHBondContact CB-OG 3.43Å; E1595-S1598 WeakPolarHBondContact CG-OG 3.37Å; E1595-S1598 CarbonylContact O-C 3.55Å; E1595-S1598 VanDerWaalsContact O-C 3.27Å; E1595-S1598 WeakPolarHBondContact O-CA 3.32Å; E1595-S1598 PolarHBondContact O-N 2.95Å; E1595-S1598 PolarHBondContact OE2-OG 3.24Å; E1595-L1599 PolarHBondContact O-N 2.93Å; E1595-L1599 VanDerWaalsContact O-N 3.12Å | ||
| 1596 | N | 50.1 | Low | 52.1 | Low | 22 Ų | 22 | 43.9 Ų | 43.9 | 12% | 0.118 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -22.7 | 170.8 | -80.8 | -32.2 | 0 | 0 | 0 | 112.6 | L1309 R1314 | L1309-N1596 WeakPolarHBondContact CD1-OD1 3.36Å; R1314-N1596 PolarHBondContact N-ND2 3.44Å; R1314-N1596 PolarHBondContact O-ND2 2.94Å; R1314-N1596 VanDerWaalsContact O-ND2 3.16Å |
| 1597 | K | 42.6 | Very low | 50.9 | Low | 135 Ų | 135 | 43.8 Ų | 43.8 | 59% | 0.587 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -22.7 | 170.4 | -71.4 | -175.4 | -179.5 | 176.5 | 0 | 113.7 | E1319 E1595 | E1319-K1597 PolarHBondContact O-NZ 3.43Å; E1595-K1597 PolarHBondContact O-N 3.27Å |
| 1598 | S | 40.2 | Very low | 49.7 | Very low | 26 Ų | 26 | 45.7 Ų | 45.7 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | trans | -118.5 | 38.4 | -175.3 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | E1595 L1600 S1601 | E1595-S1598 WeakPolarHBondContact CA-OG 3.49Å; E1595-S1598 WeakPolarHBondContact CB-OG 3.43Å; E1595-S1598 WeakPolarHBondContact CG-OG 3.37Å; E1595-S1598 CarbonylContact O-C 3.55Å; E1595-S1598 VanDerWaalsContact O-C 3.27Å; E1595-S1598 WeakPolarHBondContact O-CA 3.32Å; E1595-S1598 PolarHBondContact O-N 2.95Å; E1595-S1598 PolarHBondContact OE2-OG 3.24Å; S1598-L1600 PolarHBondContact O-N 3.44Å; S1598-S1601 WeakPolarHBondContact CB-OG 3.4Å; S1598-S1601 PolarHBondContact O-N 3.26Å | ||
| 1599 | L | 45.3 | Very low | 48.4 | Very low | 32 Ų | 32 | 52.4 Ų | 52.4 | 17% | 0.168 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -14.2 | 153.2 | -85.8 | 163.4 | 0 | 0 | 0 | 113 | C1071 L1309 E1595 | C1071-L1599 WeakPolarHBondContact O-CD1 3.4Å; L1309-L1599 HydrophobicContact CD2-CD1 4.42Å; L1309-L1599 HydrophobicContact CD2-CD2 3.36Å; L1309-L1599 HydrophobicContact CD2-CG 4.08Å; L1309-L1599 HydrophobicContact CG-CD2 4.38Å; E1595-L1599 PolarHBondContact O-N 2.93Å; E1595-L1599 VanDerWaalsContact O-N 3.12Å |
| 1600 | L | 38.5 | Very low | 46.9 | Very low | 59 Ų | 59 | 55.2 Ų | 55.2 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -23.4 | 171.4 | -68.6 | 162.9 | 0 | 0 | 0 | 117.3 | A9 S12 T13 E16 S1598 | A9-L1600 VanDerWaalsContact C-CD2 3.43Å; A9-L1600 HydrophobicContact CB-CD1 4.38Å; A9-L1600 HydrophobicContact CB-CD2 3.66Å; A9-L1600 WeakPolarHBondContact O-CD2 3.44Å; S12-L1600 PolarHBondContact OG-O 2.93Å; T13-L1600 HydrophobicContact CG2-CB 4.49Å; T13-L1600 HydrophobicContact CG2-CD2 3.42Å; T13-L1600 VanDerWaalsContact CG2-CD2 3.42Å; T13-L1600 HydrophobicContact CG2-CG 4.04Å; E16-L1600 VanDerWaalsContact CD-O 3.26Å; E16-L1600 VanDerWaalsContact OE2-C 3.29Å; E16-L1600 VanDerWaalsContact OE2-O 3.05Å; S1598-L1600 PolarHBondContact O-N 3.44Å |
| 1601 | S | 38.8 | Very low | 45.6 | Very low | 54 Ų | 54 | 57.1 Ų | 57.1 | 38% | 0.378 | 29% | 0.291 | S | S | . | . | trans | -133.6 | 36.4 | -170.4 | 78 | 0 | 0 | 0 | 0 | 115.3 | E16 S1598 A1603 | E16-S1601 VanDerWaalsContact CD-CA 3.42Å; E16-S1601 WeakPolarHBondContact OE1-CA 3.44Å; E16-S1601 WeakPolarHBondContact OE2-CA 3.37Å; E16-S1601 PolarHBondContact OE2-N 3.03Å; S1598-S1601 WeakPolarHBondContact CB-OG 3.4Å; S1598-S1601 PolarHBondContact O-N 3.26Å; S1601-A1603 PolarHBondContact O-N 3.46Å | ||
| 1602 | M | 41.3 | Very low | 44.3 | Very low | 43 Ų | 43 | 60.8 Ų | 60.8 | 21% | 0.212 | 31% | 0.313 | C | S | . | . | trans | -58.3 | 76.1 | -176.9 | -72.5 | -164.7 | 124.5 | 0 | 0 | 113 | E16 L1309 T1604 | E16-M1602 PolarHBondContact OE2-N 3.26Å; L1309-M1602 HydrophobicContact CD2-CE 4.01Å; M1602-T1604 VanDerWaalsContact C-N 3.33Å; M1602-T1604 PolarHBondContact O-N 3.15Å; M1602-T1604 VanDerWaalsContact O-N 3.09Å | ||
| 1603 | A | 42.1 | Very low | 42.8 | Very low | 24 Ų | 24 | 68.7 Ų | 68.7 | 20% | 0.198 | 35% | 0.354 | C | S | . | . | trans | -83.3 | 77.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | R54 S1601 D1605 Q1606 | R54-A1603 VanDerWaalsContact NH2-CB 3.27Å; S1601-A1603 PolarHBondContact O-N 3.46Å; A1603-D1605 PolarHBondContact O-N 3.28Å; A1603-Q1606 PolarHBondContact O-N 3.13Å | ||
| 1604 | T | 43.7 | Very low | 41.4 | Very low | 20 Ų | 20 | 76.9 Ų | 76.9 | 12% | 0.123 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -14.1 | 175.5 | 33.6 | 0 | 0 | 0 | 0 | 115.2 | E1302 M1602 Q1606 L1607 | E1302-T1604 VanDerWaalsContact CD-CG2 3.46Å; E1302-T1604 HydrophobicContact CG-CG2 3.78Å; E1302-T1604 WeakPolarHBondContact OE1-CB 3.3Å; E1302-T1604 WeakPolarHBondContact OE1-CG2 3.44Å; M1602-T1604 VanDerWaalsContact C-N 3.33Å; M1602-T1604 PolarHBondContact O-N 3.15Å; M1602-T1604 VanDerWaalsContact O-N 3.09Å; T1604-Q1606 VanDerWaalsContact C-N 3.32Å; T1604-Q1606 PolarHBondContact O-N 2.86Å; T1604-L1607 HydrophobicContact CG2-CD1 4.37Å; T1604-L1607 PolarHBondContact O-N 3Å |
| 1605 | D | 41.7 | Very low | 40.5 | Very low | 58 Ų | 58 | 74.6 Ų | 74.6 | 31% | 0.31 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -31.6 | -178.3 | -42.9 | -52.3 | 0 | 0 | 0 | 111.6 | K23 R54 A1603 L1607 | K23-D1605 IonicContact NZ-OD1 2.58Å; K23-D1605 PolarHBondContact NZ-OD1 3.42Å; R54-D1605 IonicContact CZ-OD2 2.99Å; R54-D1605 IonicContact NH1-OD2 3.08Å; R54-D1605 IonicContact NH2-OD2 3.81Å; R54-D1605 PolarHBondContact NH2-OD2 3.48Å; A1603-D1605 PolarHBondContact O-N 3.28Å; D1605-L1607 PolarHBondContact O-N 2.97Å |
| 1606 | Q | 40.9 | Very low | 39.6 | Very low | 115 Ų | 115 | 79.5 Ų | 79.5 | 54% | 0.537 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -72.6 | -26.8 | -179.4 | -66.7 | -175.7 | -3.2 | 0 | 0 | 113.3 | A1603 T1604 F1608 E1609 M1610 | A1603-Q1606 PolarHBondContact O-N 3.13Å; T1604-Q1606 VanDerWaalsContact C-N 3.32Å; T1604-Q1606 PolarHBondContact O-N 2.86Å; Q1606-F1608 PolarHBondContact O-N 3.14Å; Q1606-F1608 VanDerWaalsContact O-N 3.11Å; Q1606-E1609 PolarHBondContact O-N 2.68Å; Q1606-M1610 WeakPolarHBondContact O-CE 3.26Å; Q1606-M1610 WeakPolarHBondContact O-CG 3.26Å; Q1606-M1610 PolarHBondContact O-N 3.07Å |
| 1607 | L | 44 | Very low | 38.5 | Very low | 41 Ų | 41 | 81.3 Ų | 81.3 | 22% | 0.215 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -58.8 | -26.4 | -178.4 | -84.3 | 165.7 | 0 | 0 | 0 | 113.9 | Y1586 V1590 T1604 D1605 M1610 | Y1586-L1607 PolarHBondContact OH-O 3.46Å; V1590-L1607 HydrophobicContact CB-CD2 4.09Å; V1590-L1607 HydrophobicContact CG1-CD2 3.52Å; V1590-L1607 HydrophobicContact CG2-CD2 3.87Å; T1604-L1607 HydrophobicContact CG2-CD1 4.37Å; T1604-L1607 PolarHBondContact O-N 3Å; D1605-L1607 PolarHBondContact O-N 2.97Å; L1607-M1610 HydrophobicContact CD2-CE 4.16Å |
| 1608 | F | 40.5 | Very low | 37.7 | Very low | 61 Ų | 61 | 84.6 Ų | 84.6 | 27% | 0.268 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -102.1 | -28.5 | -179.8 | -150.1 | -84.4 | 0 | 0 | 0 | 114.1 | A1294 Q1606 M1610 L1611 T1612 | A1294-F1608 HydrophobicContact CB-CE2 4.36Å; A1294-F1608 HydrophobicContact CB-CZ 3.97Å; Q1606-F1608 PolarHBondContact O-N 3.14Å; Q1606-F1608 VanDerWaalsContact O-N 3.11Å; F1608-M1610 PolarHBondContact O-N 3.35Å; F1608-L1611 HydrophobicContact CD1-CB 4.27Å; F1608-L1611 HydrophobicContact CD2-CB 4.08Å; F1608-L1611 HydrophobicContact CD2-CD1 3.39Å; F1608-L1611 HydrophobicContact CD2-CG 4.35Å; F1608-L1611 HydrophobicContact CE1-CB 4.38Å; F1608-L1611 HydrophobicContact CE2-CB 4.2Å; F1608-L1611 HydrophobicContact CE2-CD1 3.64Å; F1608-L1611 HydrophobicContact CG-CB 4.12Å; F1608-L1611 HydrophobicContact CG-CD1 4.13Å; F1608-L1611 HydrophobicContact CZ-CB 4.34Å; F1608-L1611 CarbonylContact O-C 3.59Å; F1608-L1611 WeakPolarHBondContact O-CA 3.28Å; F1608-L1611 WeakPolarHBondContact O-CB 3.41Å; F1608-L1611 PolarHBondContact O-N 3.44Å; F1608-T1612 HydrophobicContact CD1-CG2 4.15Å; F1608-T1612 HydrophobicContact CE1-CG2 4.1Å; F1608-T1612 PolarHBondContact O-N 3.25Å; F1608-T1612 PolarHBondContact O-OG1 3.24Å |
| 1609 | E | 43 | Very low | 37 | Very low | 152 Ų | 152 | 89.2 Ų | 89.2 | 71% | 0.71 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -58.1 | -30.4 | 169 | -160.7 | 169.4 | -155.1 | 0 | 0 | 110.5 | Q1606 T1612 | Q1606-E1609 PolarHBondContact O-N 2.68Å; E1609-T1612 PolarHBondContact O-OG1 3.32Å |
| 1610 | M | 37.3 | Very low | 36 | Very low | 103 Ų | 103 | 97 Ų | 97 | 51% | 0.507 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -16.5 | 170.6 | -64.3 | -173.7 | -66 | 0 | 0 | 115 | Y1586 Q1606 L1607 F1608 | Y1586-M1610 HydrophobicContact CD2-CB 4.46Å; Y1586-M1610 WeakPolarHBondContact CE1-O 3.11Å; Y1586-M1610 HydrophobicContact CE2-CB 3.34Å; Y1586-M1610 HydrophobicContact CE2-CE 4.06Å; Y1586-M1610 HydrophobicContact CE2-CG 4.13Å; Y1586-M1610 HydrophobicContact CE2-SD 3.8Å; Y1586-M1610 VanDerWaalsContact OH-C 3.28Å; Y1586-M1610 WeakPolarHBondContact OH-CB 3.18Å; Q1606-M1610 WeakPolarHBondContact O-CE 3.26Å; Q1606-M1610 WeakPolarHBondContact O-CG 3.26Å; Q1606-M1610 PolarHBondContact O-N 3.07Å; L1607-M1610 HydrophobicContact CD2-CE 4.16Å; F1608-M1610 PolarHBondContact O-N 3.35Å |
| 1611 | L | 37.8 | Very low | 35.4 | Very low | 50 Ų | 50 | 101.4 Ų | 101.4 | 26% | 0.262 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -25.5 | 174.6 | -83 | 164.4 | 0 | 0 | 0 | 113.3 | Y1586 M1587 F1608 L1613 | Y1586-L1611 HydrophobicContact CE1-CD2 3.76Å; Y1586-L1611 HydrophobicContact CE1-CG 3.93Å; Y1586-L1611 PolarHBondContact OH-N 2.93Å; M1587-L1611 HydrophobicContact CE-CD2 3.6Å; F1608-L1611 HydrophobicContact CD1-CB 4.27Å; F1608-L1611 HydrophobicContact CD2-CB 4.08Å; F1608-L1611 HydrophobicContact CD2-CD1 3.39Å; F1608-L1611 HydrophobicContact CD2-CG 4.35Å; F1608-L1611 HydrophobicContact CE1-CB 4.38Å; F1608-L1611 HydrophobicContact CE2-CB 4.2Å; F1608-L1611 HydrophobicContact CE2-CD1 3.64Å; F1608-L1611 HydrophobicContact CG-CB 4.12Å; F1608-L1611 HydrophobicContact CG-CD1 4.13Å; F1608-L1611 HydrophobicContact CZ-CB 4.34Å; F1608-L1611 CarbonylContact O-C 3.59Å; F1608-L1611 WeakPolarHBondContact O-CA 3.28Å; F1608-L1611 WeakPolarHBondContact O-CB 3.41Å; F1608-L1611 PolarHBondContact O-N 3.44Å; L1611-L1613 PolarHBondContact O-N 3.27Å; L1611-L1613 VanDerWaalsContact O-N 3.1Å |
| 1612 | T | 38 | Very low | 35 | Very low | 78 Ų | 78 | 104 Ų | 104 | 48% | 0.479 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -65.3 | 111 | 173.8 | 35.6 | 0 | 0 | 0 | 0 | 108.8 | F1608 E1609 E1614 | F1608-T1612 HydrophobicContact CD1-CG2 4.15Å; F1608-T1612 HydrophobicContact CE1-CG2 4.1Å; F1608-T1612 PolarHBondContact O-N 3.25Å; F1608-T1612 PolarHBondContact O-OG1 3.24Å; E1609-T1612 PolarHBondContact O-OG1 3.32Å; T1612-E1614 PolarHBondContact O-N 3.36Å |
| 1613 | L | 34.5 | Very low | 34.6 | Very low | 169 Ų | 169 | 106.1 Ų | 106.1 | 89% | 0.885 | 59% | 0.585 | S | S | * | * | trans | -52 | 112.5 | 168.5 | -85.9 | 153 | 0 | 0 | 0 | 107.7 | L1611 G1615 | L1611-L1613 PolarHBondContact O-N 3.27Å; L1611-L1613 VanDerWaalsContact O-N 3.1Å; L1613-G1615 VanDerWaalsContact C-N 3.35Å; L1613-G1615 PolarHBondContact O-N 3.31Å | ||
| 1614 | E | 30.5 | Very low | 34 | Very low | 183 Ų | 183 | 110.9 Ų | 110.9 | 86% | 0.855 | 62% | 0.617 | S | S | * | * | trans | -52.8 | 105.6 | 166.9 | -73.4 | -171.9 | 168.3 | 0 | 0 | 106.9 | T1612 H1616 | T1612-E1614 PolarHBondContact O-N 3.36Å; E1614-H1616 VanDerWaalsContact C-N 3.28Å; E1614-H1616 PolarHBondContact O-N 3.45Å | ||
| 1615 | G | 31.6 | Very low | 33.2 | Very low | 72 Ų | 72 | 113.3 Ų | 113.3 | 74% | 0.742 | 64% | 0.635 | S | S | * | * | trans | -64.8 | 97.8 | 174 | 0 | 0 | 0 | 0 | 0 | 106.4 | L1613 G1617 | L1613-G1615 VanDerWaalsContact C-N 3.35Å; L1613-G1615 PolarHBondContact O-N 3.31Å; G1615-G1617 PolarHBondContact O-N 3.23Å | ||
| 1616 | H | 29.2 | Very low | 32.6 | Very low | 173 Ų | 173 | 121 Ų | 121 | 80% | 0.801 | 66% | 0.659 | S | S | * | * | trans | -15 | 98.9 | 179.9 | -96 | -73.2 | 0 | 0 | 0 | 111.7 | E1614 K1618 | E1614-H1616 VanDerWaalsContact C-N 3.28Å; E1614-H1616 PolarHBondContact O-N 3.45Å; H1616-K1618 PolarHBondContact O-N 3.41Å | ||
| 1617 | G | 26.7 | Very low | 32.2 | Very low | 59 Ų | 59 | 120.4 Ų | 120.4 | 61% | 0.608 | 67% | 0.674 | S | S | * | * | trans | -47.4 | 131.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | G1615 T1619 | G1615-G1617 PolarHBondContact O-N 3.23Å; G1617-T1619 PolarHBondContact O-N 3.34Å; G1617-T1619 PolarHBondContact O-OG1 2.89Å | ||
| 1618 | K | 25.8 | Very low | 31.6 | Very low | 204 Ų | 204 | 123.1 Ų | 123.1 | 89% | 0.887 | 70% | 0.696 | S | S | * | * | trans | -62.2 | 77.5 | 179.8 | -64.2 | 170.6 | -179.6 | 171.5 | 0 | 109.6 | H1616 E1620 | H1616-K1618 PolarHBondContact O-N 3.41Å; K1618-E1620 PolarHBondContact O-N 3.13Å | ||
| 1619 | T | 26.4 | Very low | 31.2 | Very low | 124 Ų | 124 | 124 Ų | 124 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | trans | -70.6 | 109.8 | 159.5 | 20.4 | 0 | 0 | 0 | 0 | 107 | G1617 L1621 | G1617-T1619 PolarHBondContact O-N 3.34Å; G1617-T1619 PolarHBondContact O-OG1 2.89Å; T1619-L1621 PolarHBondContact O-N 2.99Å | ||
| 1620 | E | 24.5 | Very low | 30.7 | Very low | 194 Ų | 194 | 120.8 Ų | 120.8 | 91% | 0.907 | 70% | 0.698 | S | S | * | * | trans | -54.2 | 97.7 | -179.9 | -62.4 | -179.4 | 161.9 | 0 | 0 | 110.4 | K1618 | K1618-E1620 PolarHBondContact O-N 3.13Š| ||
| 1621 | L | 25.6 | Very low | 30.4 | Very low | 153 Ų | 153 | 126.1 Ų | 126.1 | 80% | 0.801 | 71% | 0.713 | S | S | * | * | trans | -102.3 | 135.8 | 165.2 | -76.4 | 166.4 | 0 | 0 | 0 | 108.6 | T1619 | T1619-L1621 PolarHBondContact O-N 2.99Š| ||
| 1622 | P | 30 | Very low | 30.1 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | trans | -65.8 | 141.9 | -164.8 | 13.2 | -14.5 | 0 | 0 | 0 | 112.7 | S1624 | P1622-S1624 PolarHBondContact O-N 3.16Š| ||
| 1623 | A | 31.9 | Very low | 29.8 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -66.3 | 3.5 | -160.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | S1625 | A1623-S1625 PolarHBondContact O-N 3.35Š|
| 1624 | S | 29.5 | Very low | 30 | Very low | 123 Ų | 123 | 125 Ų | 125 | 86% | 0.86 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -85.6 | -0.8 | -170 | 72.5 | 0 | 0 | 0 | 0 | 116.2 | P1622 | P1622-S1624 PolarHBondContact O-N 3.16Š|
| 1625 | S | 28.9 | Very low | 30.1 | Very low | 72 Ų | 72 | 118.6 Ų | 118.6 | 50% | 0.503 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -115.9 | 18.5 | -176.7 | 64.9 | 0 | 0 | 0 | 0 | 116 | A1623 | A1623-S1625 PolarHBondContact O-N 3.35Š|
| 1626 | R | 27.7 | Very low | 30.3 | Very low | 220 Ų | 220 | 117 Ų | 117 | 83% | 0.83 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -16.6 | -176.4 | -89.6 | -177 | 174.4 | 174.1 | -0.4 | 116.4 | ||
| 1627 | A | 33.2 | Very low | 30.8 | Very low | 101 Ų | 101 | 117.6 Ų | 117.6 | 84% | 0.835 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -28.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1628 | S | 31 | Very low | 31.5 | Very low | 99 Ų | 99 | 119.2 Ų | 119.2 | 69% | 0.692 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -12.6 | -176.9 | 52 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1629 | N | 31.2 | Very low | 32.2 | Very low | 80 Ų | 80 | 111.6 Ų | 111.6 | 43% | 0.428 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -91.2 | -4.3 | -171.7 | -86.9 | -24.1 | 0 | 0 | 0 | 116 | K1633 | N1629-K1633 WeakPolarHBondContact O-CG 3.45Å; N1629-K1633 PolarHBondContact O-N 3.16Å |
| 1630 | S | 32.7 | Very low | 32.9 | Very low | 84 Ų | 84 | 108 Ų | 108 | 59% | 0.587 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.7 | -37.3 | -177.6 | 67.4 | 0 | 0 | 0 | 0 | 113.1 | S1634 | S1630-S1634 PolarHBondContact O-N 3.41Å |
| 1631 | R | 31.1 | Very low | 33.8 | Very low | 215 Ų | 215 | 105.7 Ų | 105.7 | 81% | 0.811 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67 | -47.1 | 179 | -89.8 | -177.7 | 170.3 | 176 | -2.5 | 112.4 | K1633 S1634 F1635 | R1631-K1633 PolarHBondContact O-N 3.14Å; R1631-S1634 PolarHBondContact O-N 3.33Å; R1631-S1634 PolarHBondContact O-OG 3.32Å; R1631-F1635 PolarHBondContact O-N 3.26Å |
| 1632 | S | 31.3 | Very low | 34.4 | Very low | 77 Ų | 77 | 102 Ų | 102 | 54% | 0.538 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63 | -40.1 | 179.6 | 178.6 | 0 | 0 | 0 | 0 | 112.8 | S1634 F1635 A1636 | S1632-S1634 PolarHBondContact O-N 2.72Å; S1632-F1635 WeakPolarHBondContact O-CB 3.45Å; S1632-F1635 PolarHBondContact O-N 2.78Å; S1632-A1636 PolarHBondContact O-N 2.79Å; S1632-A1636 VanDerWaalsContact O-N 3.11Å |
| 1633 | K | 32.2 | Very low | 34.9 | Very low | 137 Ų | 137 | 97.8 Ų | 97.8 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66 | -35.9 | 177 | -73.9 | -174.7 | 177.8 | -173.7 | 0 | 113.4 | N1629 R1631 F1635 R1637 | N1629-K1633 WeakPolarHBondContact O-CG 3.45Å; N1629-K1633 PolarHBondContact O-N 3.16Å; R1631-K1633 PolarHBondContact O-N 3.14Å; K1633-F1635 VanDerWaalsContact C-N 3.32Å; K1633-R1637 WeakPolarHBondContact O-CG 3.26Å; K1633-R1637 PolarHBondContact O-N 3Å |
| 1634 | S | 38 | Very low | 35.4 | Very low | 60 Ų | 60 | 95.7 Ų | 95.7 | 42% | 0.42 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.4 | -37.3 | 175.6 | 77.9 | 0 | 0 | 0 | 0 | 112.1 | S1630 R1631 S1632 R1637 N1638 | S1630-S1634 PolarHBondContact O-N 3.41Å; R1631-S1634 PolarHBondContact O-N 3.33Å; R1631-S1634 PolarHBondContact O-OG 3.32Å; S1632-S1634 PolarHBondContact O-N 2.72Å; S1634-R1637 PolarHBondContact O-N 3.31Å; S1634-N1638 PolarHBondContact O-N 3.49Å; S1634-N1638 VanDerWaalsContact O-N 3.13Å |
| 1635 | F | 33.7 | Very low | 35.8 | Very low | 47 Ų | 47 | 93 Ų | 93 | 21% | 0.206 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -69.4 | -47.2 | -176.7 | -167.6 | -110.1 | 0 | 0 | 0 | 112.3 | T1348 W1352 R1631 S1632 K1633 R1637 N1638 I1639 | T1348-F1635 WeakPolarHBondContact O-CZ 3.41Å; W1352-F1635 HydrophobicContact CB-CE2 3.43Å; W1352-F1635 VanDerWaalsContact CB-CE2 3.43Å; W1352-F1635 HydrophobicContact CB-CZ 3.47Å; W1352-F1635 VanDerWaalsContact CB-CZ 3.47Å; W1352-F1635 AromaticContact CD1-CE2 3.53Å; W1352-F1635 HydrophobicContact CD2-CD2 4.49Å; W1352-F1635 AromaticContact CD2-CE2 3.71Å; W1352-F1635 HydrophobicContact CD2-CE2 3.71Å; W1352-F1635 HydrophobicContact CE3-CE2 4.36Å; W1352-F1635 HydrophobicContact CG-CD2 4.24Å; W1352-F1635 AromaticContact CG-CE2 3.27Å; W1352-F1635 HydrophobicContact CG-CE2 3.27Å; W1352-F1635 AromaticContact CG-CZ 3.87Å; W1352-F1635 HydrophobicContact CG-CZ 3.87Å; R1631-F1635 PolarHBondContact O-N 3.26Å; S1632-F1635 WeakPolarHBondContact O-CB 3.45Å; S1632-F1635 PolarHBondContact O-N 2.78Å; K1633-F1635 VanDerWaalsContact C-N 3.32Å; F1635-R1637 VanDerWaalsContact C-N 3.3Å; F1635-R1637 PolarHBondContact O-N 3.32Å; F1635-N1638 PolarHBondContact O-N 3.15Å; F1635-I1639 HydrophobicContact CD1-CD1 4.18Å; F1635-I1639 HydrophobicContact CE1-CD1 4.02Å; F1635-I1639 HydrophobicContact CZ-CD1 4.34Å; F1635-I1639 PolarHBondContact O-N 3.12Å |
| 1636 | A | 36.4 | Very low | 36.5 | Very low | 38 Ų | 38 | 92.3 Ų | 92.3 | 31% | 0.314 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.9 | -29.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1576 S1632 H1640 | K1576-A1636 PolarHBondContact NZ-O 2.57Å; S1632-A1636 PolarHBondContact O-N 2.79Å; S1632-A1636 VanDerWaalsContact O-N 3.11Å; A1636-H1640 WeakPolarHBondContact O-CB 3.44Å; A1636-H1640 PolarHBondContact O-N 3.32Å |
| 1637 | R | 38.6 | Very low | 37 | Very low | 187 Ų | 187 | 84.6 Ų | 84.6 | 71% | 0.706 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -70.7 | -43.5 | 175.5 | -85.7 | -178.5 | -178.2 | 158.3 | -0.4 | 112.4 | K1633 S1634 F1635 H1640 K1641 | K1633-R1637 WeakPolarHBondContact O-CG 3.26Å; K1633-R1637 PolarHBondContact O-N 3Å; S1634-R1637 PolarHBondContact O-N 3.31Å; F1635-R1637 VanDerWaalsContact C-N 3.3Å; F1635-R1637 PolarHBondContact O-N 3.32Å; R1637-H1640 PolarHBondContact O-N 3.05Å; R1637-K1641 PolarHBondContact O-N 2.56Å |
| 1638 | N | 41.3 | Very low | 37.5 | Very low | 92 Ų | 92 | 84 Ų | 84 | 49% | 0.492 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.5 | -43.5 | -176.4 | -74.4 | -12.8 | 0 | 0 | 0 | 112.6 | S1634 F1635 H1640 K1641 D1642 | S1634-N1638 PolarHBondContact O-N 3.49Å; S1634-N1638 VanDerWaalsContact O-N 3.13Å; F1635-N1638 PolarHBondContact O-N 3.15Å; N1638-H1640 PolarHBondContact O-N 3.43Å; N1638-K1641 PolarHBondContact O-N 3.33Å; N1638-D1642 PolarHBondContact O-N 3.46Å; N1638-D1642 VanDerWaalsContact O-N 3.11Å |
| 1639 | I | 40.7 | Very low | 38 | Very low | 45 Ų | 45 | 83.9 Ų | 83.9 | 23% | 0.231 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.6 | -36.9 | 174.4 | -64.2 | 171.7 | 0 | 0 | 0 | 110.8 | F1635 Y1643 | F1635-I1639 HydrophobicContact CD1-CD1 4.18Å; F1635-I1639 HydrophobicContact CE1-CD1 4.02Å; F1635-I1639 HydrophobicContact CZ-CD1 4.34Å; F1635-I1639 PolarHBondContact O-N 3.12Å; I1639-Y1643 VanDerWaalsContact O-CB 3.31Å; I1639-Y1643 WeakPolarHBondContact O-CB 3.48Å; I1639-Y1643 PolarHBondContact O-N 3.38Å |
| 1640 | H | 40.8 | Very low | 38.3 | Very low | 47 Ų | 47 | 84 Ų | 84 | 22% | 0.218 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -73.6 | -38.6 | 177.2 | -169.9 | 65.4 | 0 | 0 | 0 | 113 | Q1580 A1636 R1637 N1638 D1642 Y1643 V1644 | Q1580-H1640 PolarHBondContact NE2-CE1 3.22Å; A1636-H1640 WeakPolarHBondContact O-CB 3.44Å; A1636-H1640 PolarHBondContact O-N 3.32Å; R1637-H1640 PolarHBondContact O-N 3.05Å; N1638-H1640 PolarHBondContact O-N 3.43Å; H1640-D1642 VanDerWaalsContact C-N 3.28Å; H1640-D1642 PolarHBondContact O-N 2.9Å; H1640-Y1643 PolarHBondContact O-N 2.95Å; H1640-V1644 WeakPolarHBondContact CE1-CG2 3.41Å; H1640-V1644 WeakPolarHBondContact NE2-CG2 3.31Å; H1640-V1644 VanDerWaalsContact O-CB 3.32Å; H1640-V1644 WeakPolarHBondContact O-CB 3.25Å; H1640-V1644 VanDerWaalsContact O-CG2 3.23Å; H1640-V1644 WeakPolarHBondContact O-CG2 3.4Å; H1640-V1644 PolarHBondContact O-N 3.45Å |
| 1641 | K | 42.9 | Very low | 38.5 | Very low | 146 Ų | 146 | 83.8 Ų | 83.8 | 64% | 0.635 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.2 | -41.6 | 177.7 | -143.8 | 178.6 | -173.2 | -178.6 | 0 | 111 | R1637 N1638 S1645 | R1637-K1641 PolarHBondContact O-N 2.56Å; N1638-K1641 PolarHBondContact O-N 3.33Å; K1641-S1645 PolarHBondContact O-N 2.82Å |
| 1642 | D | 39.1 | Very low | 38.9 | Very low | 76 Ų | 76 | 76.7 Ų | 76.7 | 41% | 0.406 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.8 | -48.1 | 173.6 | -70.9 | -17.5 | 0 | 0 | 0 | 110.7 | N1638 H1640 S1645 W1646 | N1638-D1642 PolarHBondContact O-N 3.46Å; N1638-D1642 VanDerWaalsContact O-N 3.11Å; H1640-D1642 VanDerWaalsContact C-N 3.28Å; H1640-D1642 PolarHBondContact O-N 2.9Å; D1642-S1645 PolarHBondContact O-N 2.7Å; D1642-S1645 PolarHBondContact O-OG 3.5Å; D1642-W1646 PolarHBondContact O-N 2.88Å; D1642-W1646 PolarHBondContact O-NE1 2.96Å |
| 1643 | Y | 40.3 | Very low | 39.2 | Very low | 19 Ų | 19 | 75.8 Ų | 75.8 | 8% | 0.075 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.4 | -38.7 | -178.2 | -163.9 | -96.5 | 0 | 0 | 0 | 114.8 | L1376 V1379 W1541 I1639 H1640 S1645 W1646 E1647 Y1651 | L1376-Y1643 HydrophobicContact CD2-CE2 4Å; V1379-Y1643 HydrophobicContact CB-CE2 4.47Å; V1379-Y1643 HydrophobicContact CG2-CD2 4.16Å; V1379-Y1643 HydrophobicContact CG2-CE2 3.84Å; W1541-Y1643 HydrophobicContact CH2-CE1 4.24Å; W1541-Y1643 HydrophobicContact CZ2-CE1 4.15Å; I1639-Y1643 VanDerWaalsContact O-CB 3.31Å; I1639-Y1643 WeakPolarHBondContact O-CB 3.48Å; I1639-Y1643 PolarHBondContact O-N 3.38Å; H1640-Y1643 PolarHBondContact O-N 2.95Å; Y1643-S1645 VanDerWaalsContact C-N 3.28Å; Y1643-S1645 PolarHBondContact O-N 3.12Å; Y1643-W1646 WeakPolarHBondContact O-CA 3.39Å; Y1643-W1646 WeakPolarHBondContact O-CB 3.49Å; Y1643-W1646 PolarHBondContact O-N 3.37Å; Y1643-E1647 PolarHBondContact O-N 3.19Å; Y1643-Y1651 WeakPolarHBondContact OH-CE2 3.39Å |
| 1644 | V | 41.8 | Very low | 39.1 | Very low | 45 Ų | 45 | 73.2 Ų | 73.2 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.2 | -33.7 | 175.5 | 172 | 0 | 0 | 0 | 0 | 111.3 | H1640 W1646 | H1640-V1644 WeakPolarHBondContact CE1-CG2 3.41Å; H1640-V1644 WeakPolarHBondContact NE2-CG2 3.31Å; H1640-V1644 VanDerWaalsContact O-CB 3.32Å; H1640-V1644 WeakPolarHBondContact O-CB 3.25Å; H1640-V1644 VanDerWaalsContact O-CG2 3.23Å; H1640-V1644 WeakPolarHBondContact O-CG2 3.4Å; H1640-V1644 PolarHBondContact O-N 3.45Å; V1644-W1646 PolarHBondContact O-N 3.49Å |
| 1645 | S | 38.8 | Very low | 38.7 | Very low | 66 Ų | 66 | 75.3 Ų | 75.3 | 46% | 0.462 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.9 | -26.6 | 172.3 | 79.7 | 0 | 0 | 0 | 0 | 111.9 | K1641 D1642 Y1643 | K1641-S1645 PolarHBondContact O-N 2.82Å; D1642-S1645 PolarHBondContact O-N 2.7Å; D1642-S1645 PolarHBondContact O-OG 3.5Å; Y1643-S1645 VanDerWaalsContact C-N 3.28Å; Y1643-S1645 PolarHBondContact O-N 3.12Å |
| 1646 | W | 43.3 | Very low | 38.7 | Very low | 58 Ų | 58 | 77.1 Ų | 77.1 | 22% | 0.22 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -84.6 | -34.2 | -177.5 | -66.4 | 16.3 | 0 | 0 | 0 | 115.2 | R1371 R1372 A1375 D1642 Y1643 V1644 K1648 T1649 | R1371-W1646 WeakPolarHBondContact O-CH2 3.43Å; R1372-W1646 HydrophobicContact CB-CE3 4.32Å; R1372-W1646 HydrophobicContact CB-CH2 3.93Å; R1372-W1646 HydrophobicContact CB-CZ3 3.76Å; R1372-W1646 HydrophobicContact CG-CD2 4.08Å; R1372-W1646 HydrophobicContact CG-CE3 3.82Å; R1372-W1646 HydrophobicContact CG-CH2 3.58Å; R1372-W1646 HydrophobicContact CG-CZ2 3.74Å; R1372-W1646 HydrophobicContact CG-CZ3 3.59Å; R1372-W1646 WeakPolarHBondContact O-CZ3 3.34Å; A1375-W1646 HydrophobicContact CB-CH2 3.59Å; A1375-W1646 HydrophobicContact CB-CZ3 3.66Å; D1642-W1646 PolarHBondContact O-N 2.88Å; D1642-W1646 PolarHBondContact O-NE1 2.96Å; Y1643-W1646 WeakPolarHBondContact O-CA 3.39Å; Y1643-W1646 WeakPolarHBondContact O-CB 3.49Å; Y1643-W1646 PolarHBondContact O-N 3.37Å; V1644-W1646 PolarHBondContact O-N 3.49Å; W1646-K1648 PolarHBondContact O-N 3.07Å; W1646-K1648 VanDerWaalsContact O-N 3.12Å; W1646-T1649 PolarHBondContact O-N 2.99Å; W1646-T1649 VanDerWaalsContact O-N 3.13Å |
| 1647 | E | 38.6 | Very low | 38.5 | Very low | 58 Ų | 58 | 77 Ų | 77 | 27% | 0.271 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.3 | -27.3 | 176.5 | -162.9 | -173.7 | -172.9 | 0 | 0 | 110.9 | K1584 Y1643 T1649 | K1584-E1647 WeakPolarHBondContact CE-OE1 3.42Å; K1584-E1647 IonicContact NZ-OE1 3.05Å; K1584-E1647 PolarHBondContact NZ-OE1 2.89Å; Y1643-E1647 PolarHBondContact O-N 3.19Å; E1647-T1649 VanDerWaalsContact C-N 3.27Å; E1647-T1649 PolarHBondContact O-N 2.92Å |
| 1648 | K | 43.3 | Very low | 37.9 | Very low | 88 Ų | 88 | 74.8 Ų | 74.8 | 38% | 0.383 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -8.6 | -179.4 | -71.9 | -177.7 | -179.9 | 171.6 | 0 | 115 | W1646 | W1646-K1648 PolarHBondContact O-N 3.07Å; W1646-K1648 VanDerWaalsContact O-N 3.12Å |
| 1649 | T | 42.7 | Very low | 37.4 | Very low | 97 Ų | 97 | 73.9 Ų | 73.9 | 60% | 0.595 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.3 | -34.6 | -176.5 | 33.7 | 0 | 0 | 0 | 0 | 118.1 | W1646 E1647 | W1646-T1649 PolarHBondContact O-N 2.99Å; W1646-T1649 VanDerWaalsContact O-N 3.13Å; E1647-T1649 VanDerWaalsContact C-N 3.27Å; E1647-T1649 PolarHBondContact O-N 2.92Å |
| 1650 | E | 36.2 | Very low | 36.8 | Very low | 82 Ų | 82 | 75.1 Ų | 75.1 | 38% | 0.383 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.8 | -6.1 | -165.9 | -76.1 | 175.1 | -177.8 | 0 | 0 | 117.5 | R1372 E1652 D1653 N1654 | R1372-E1650 IonicContact CZ-OE2 2.72Å; R1372-E1650 IonicContact NH1-OE1 3.65Å; R1372-E1650 IonicContact NH1-OE2 3.23Å; R1372-E1650 PolarHBondContact NH1-OE2 3.41Å; E1650-E1652 VanDerWaalsContact C-N 3.27Å; E1650-E1652 PolarHBondContact O-N 3.32Å; E1650-D1653 PolarHBondContact O-N 3.17Å; E1650-N1654 PolarHBondContact O-N 2.57Å; E1650-N1654 PolarHBondContact O-ND2 3.33Å |
| 1651 | Y | 37.2 | Very low | 36.3 | Very low | 79 Ų | 79 | 78 Ų | 78 | 31% | 0.31 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.2 | -31.2 | -176.7 | -166.9 | -92.6 | 0 | 0 | 0 | 113 | L1376 Y1643 L1655 | L1376-Y1651 HydrophobicContact CD2-CD2 3.57Å; L1376-Y1651 HydrophobicContact CD2-CE2 3.39Å; Y1643-Y1651 WeakPolarHBondContact OH-CE2 3.39Å; Y1651-L1655 HydrophobicContact CD1-CD1 4.49Å; Y1651-L1655 HydrophobicContact CE1-CD1 4.09Å |
| 1652 | E | 38.8 | Very low | 35.8 | Very low | 67 Ų | 67 | 82 Ų | 82 | 31% | 0.313 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -82 | -38.2 | 179 | -57.6 | -159.5 | 146.1 | 0 | 0 | 112.8 | R1222 N1250 E1650 N1654 L1655 D1656 | R1222-E1652 IonicContact CZ-OE1 3.88Å; R1222-E1652 IonicContact CZ-OE2 2.67Å; R1222-E1652 IonicContact NE-OE2 3.86Å; R1222-E1652 IonicContact NH1-OE1 2.86Å; R1222-E1652 IonicContact NH2-OE1 2.62Å; R1222-E1652 PolarHBondContact NH2-OE1 3.41Å; R1222-E1652 IonicContact NH2-OE2 2.93Å; R1222-E1652 PolarHBondContact NH2-OE2 3.24Å; N1250-E1652 PolarHBondContact ND2-OE1 3.42Å; E1650-E1652 VanDerWaalsContact C-N 3.27Å; E1650-E1652 PolarHBondContact O-N 3.32Å; E1652-N1654 VanDerWaalsContact C-N 3.27Å; E1652-N1654 PolarHBondContact O-N 2.95Å; E1652-L1655 PolarHBondContact O-N 3.38Å; E1652-D1656 PolarHBondContact O-N 3.36Å |
| 1653 | D | 38.6 | Very low | 35.4 | Very low | 57 Ų | 57 | 84.2 Ų | 84.2 | 31% | 0.305 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.4 | -31.2 | 179.1 | -73.8 | -12.1 | 0 | 0 | 0 | 111.4 | N1223 E1650 D1656 A1657 | N1223-D1653 PolarHBondContact ND2-OD1 3.43Å; E1650-D1653 PolarHBondContact O-N 3.17Å; D1653-D1656 PolarHBondContact O-N 3.43Å; D1653-A1657 PolarHBondContact O-N 3.23Å |
| 1654 | N | 30.1 | Very low | 34.7 | Very low | 84 Ų | 84 | 93.1 Ų | 93.1 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -78.5 | -26.6 | 179.5 | -76.9 | -35.8 | 0 | 0 | 0 | 114.7 | E1650 E1652 D1656 A1657 E1658 | E1650-N1654 PolarHBondContact O-N 2.57Å; E1650-N1654 PolarHBondContact O-ND2 3.33Å; E1652-N1654 VanDerWaalsContact C-N 3.27Å; E1652-N1654 PolarHBondContact O-N 2.95Å; N1654-D1656 VanDerWaalsContact C-N 3.29Å; N1654-A1657 PolarHBondContact O-N 2.98Å; N1654-E1658 PolarHBondContact O-N 3.05Å |
| 1655 | L | 30.3 | Very low | 34.3 | Very low | 104 Ų | 104 | 95.5 Ų | 95.5 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.4 | -35 | 170 | -98.5 | 156.7 | 0 | 0 | 0 | 110.9 | Y1651 E1652 S1659 | Y1651-L1655 HydrophobicContact CD1-CD1 4.49Å; Y1651-L1655 HydrophobicContact CE1-CD1 4.09Å; E1652-L1655 PolarHBondContact O-N 3.38Å; L1655-S1659 PolarHBondContact O-N 3.24Å |
| 1656 | D | 33.9 | Very low | 34.1 | Very low | 85 Ų | 85 | 97.1 Ų | 97.1 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.6 | -38 | 170.5 | -74.4 | -21.1 | 0 | 0 | 0 | 111 | E1652 D1653 N1654 S1659 S1660 | E1652-D1656 PolarHBondContact O-N 3.36Å; D1653-D1656 PolarHBondContact O-N 3.43Å; N1654-D1656 VanDerWaalsContact C-N 3.29Å; D1656-S1659 WeakPolarHBondContact O-CB 3.34Å; D1656-S1659 PolarHBondContact O-N 3.48Å; D1656-S1659 PolarHBondContact O-OG 2.87Å; D1656-S1660 PolarHBondContact O-N 3.31Å; D1656-S1660 VanDerWaalsContact O-N 3.15Å; D1656-S1660 PolarHBondContact O-OG 2.99Å |
| 1657 | A | 30.4 | Very low | 33.6 | Very low | 34 Ų | 34 | 99.2 Ų | 99.2 | 28% | 0.281 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1653 N1654 S1659 S1660 V1661 | D1653-A1657 PolarHBondContact O-N 3.23Å; N1654-A1657 PolarHBondContact O-N 2.98Å; A1657-S1659 PolarHBondContact O-N 3.1Å; A1657-S1660 VanDerWaalsContact CA-OG 3.3Å; A1657-S1660 WeakPolarHBondContact CA-OG 3.37Å; A1657-S1660 CarbonylContact O-C 3.5Å; A1657-S1660 PolarHBondContact O-N 2.68Å; A1657-S1660 PolarHBondContact O-OG 2.87Å; A1657-V1661 WeakPolarHBondContact O-CG2 3.37Å; A1657-V1661 PolarHBondContact O-N 2.77Å |
| 1658 | E | 26.5 | Very low | 33.3 | Very low | 142 Ų | 142 | 101.6 Ų | 101.6 | 66% | 0.664 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.3 | -28.6 | 175.2 | -79.7 | -168.5 | 169.2 | 0 | 0 | 112.4 | N1654 S1660 R1662 | N1654-E1658 PolarHBondContact O-N 3.05Å; E1658-S1660 VanDerWaalsContact C-N 3.35Å; E1658-R1662 PolarHBondContact O-N 3.22Å |
| 1659 | S | 30.9 | Very low | 32.6 | Very low | 72 Ų | 72 | 102.5 Ų | 102.5 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.1 | -32.1 | 171.9 | 81.6 | 0 | 0 | 0 | 0 | 112.4 | L1655 D1656 A1657 | L1655-S1659 PolarHBondContact O-N 3.24Å; D1656-S1659 WeakPolarHBondContact O-CB 3.34Å; D1656-S1659 PolarHBondContact O-N 3.48Å; D1656-S1659 PolarHBondContact O-OG 2.87Å; A1657-S1659 PolarHBondContact O-N 3.1Å |
| 1660 | S | 29.1 | Very low | 32 | Very low | 71 Ų | 71 | 102.9 Ų | 102.9 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -80 | -30.4 | 173 | 44.5 | 0 | 0 | 0 | 0 | 114.2 | D1656 A1657 E1658 R1662 V1663 | D1656-S1660 PolarHBondContact O-N 3.31Å; D1656-S1660 VanDerWaalsContact O-N 3.15Å; D1656-S1660 PolarHBondContact O-OG 2.99Å; A1657-S1660 VanDerWaalsContact CA-OG 3.3Å; A1657-S1660 WeakPolarHBondContact CA-OG 3.37Å; A1657-S1660 CarbonylContact O-C 3.5Å; A1657-S1660 PolarHBondContact O-N 2.68Å; A1657-S1660 PolarHBondContact O-OG 2.87Å; E1658-S1660 VanDerWaalsContact C-N 3.35Å; S1660-R1662 VanDerWaalsContact C-N 3.27Å; S1660-R1662 PolarHBondContact O-N 3.24Å; S1660-V1663 PolarHBondContact O-N 2.74Å |
| 1661 | V | 30.2 | Very low | 31.7 | Very low | 108 Ų | 108 | 104.4 Ų | 104.4 | 66% | 0.655 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -72.8 | -19 | 179.1 | 174.9 | 0 | 0 | 0 | 0 | 112.3 | A1657 | A1657-V1661 WeakPolarHBondContact O-CG2 3.37Å; A1657-V1661 PolarHBondContact O-N 2.77Å |
| 1662 | R | 31.8 | Very low | 31.2 | Very low | 230 Ų | 230 | 106.3 Ų | 106.3 | 87% | 0.868 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -1 | 171.5 | -82.7 | -171.1 | 177.7 | 179.9 | 1.3 | 115.2 | E1658 S1660 | E1658-R1662 PolarHBondContact O-N 3.22Å; S1660-R1662 VanDerWaalsContact C-N 3.27Å; S1660-R1662 PolarHBondContact O-N 3.24Å |
| 1663 | V | 30.8 | Very low | 30.6 | Very low | 123 Ų | 123 | 109.6 Ų | 109.6 | 75% | 0.745 | 59% | 0.588 | S | S | * | * | trans | -104.1 | -3.7 | 177.1 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | S1660 | S1660-V1663 PolarHBondContact O-N 2.74Š| ||
| 1664 | N | 24.8 | Very low | 29.9 | Very low | 205 Ų | 205 | 114.4 Ų | 114.4 | 100% | 1.096 | 61% | 0.614 | S | S | * | * | trans | -99.8 | 0 | 155.1 | -72.3 | -18 | 0 | 0 | 0 | 109.2 |
Retrieved 1,664 of 1,664 residues in 1237.8 ms
(Link to these results)