| 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 | 66.2 | Low | 79.5 | Confident | 117 Ų | 117 | 61.6 Ų | 61.6 | 58% | 0.576 | 32% | 0.318 | S | S | * | . | 0 | -54.7 | 0 | -167.3 | 178.7 | -66.5 | 0 | 0 | 111.2 | F3 C4 L5 R52 H53 | M1-F3 PolarHBondContact O-N 2.61Å; M1-C4 WeakPolarHBondContact O-CB 3.43Å; M1-C4 PolarHBondContact O-N 3.48Å; M1-C4 VanDerWaalsContact O-N 3.12Å; M1-L5 PolarHBondContact O-N 3.46Å; M1-L5 VanDerWaalsContact O-N 3.08Å; M1-R52 HydrophobicContact CE-CB 4Å; M1-R52 HydrophobicContact SD-CB 4.06Å; M1-H53 VanDerWaalsContact SD-CA 3.59Å; M1-H53 HydrophobicContact SD-CB 3.61Å | |||
| 2 | W | 68.3 | Low | 80.3 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -52.8 | -46 | 177.5 | -80.6 | 119.1 | 0 | 0 | 0 | 114.9 | C4 L5 A6 H53 E118 F520 | W2-C4 VanDerWaalsContact C-N 3.26Å; W2-C4 PolarHBondContact O-N 3.29Å; W2-L5 HydrophobicContact CE3-CD2 3.72Å; W2-L5 HydrophobicContact CH2-CD2 4.41Å; W2-L5 HydrophobicContact CZ3-CD2 3.55Å; W2-L5 WeakPolarHBondContact O-CB 3.24Å; W2-L5 PolarHBondContact O-N 2.84Å; W2-A6 WeakPolarHBondContact O-CB 3.11Å; W2-A6 PolarHBondContact O-N 2.65Å; W2-H53 AromaticContact CE2-CE1 3.52Å; W2-H53 AromaticContact CE2-NE2 3.73Å; W2-H53 AromaticContact CH2-CD2 3.99Å; W2-H53 AromaticContact CH2-NE2 3.68Å; W2-H53 AromaticContact CZ2-CD2 3.7Å; W2-H53 AromaticContact CZ2-CE1 3.31Å; W2-H53 WeakPolarHBondContact CZ2-CE1 3.19Å; W2-H53 AromaticContact CZ2-NE2 3.04Å; W2-H53 WeakPolarHBondContact CZ2-NE2 3.47Å; W2-H53 AromaticContact NE1-CE1 3.57Å; W2-H53 AromaticContact NE1-ND1 4Å; W2-E118 HydrophobicContact CD2-CG 4.39Å; W2-E118 HydrophobicContact CG-CG 4.26Å; W2-E118 WeakPolarHBondContact CZ2-OE1 3.27Å; W2-E118 PolarHBondContact NE1-OE1 3.36Å; W2-E118 VanDerWaalsContact NE1-OE1 3.12Å; W2-F520 HydrophobicContact CH2-CE1 4.24Å; W2-F520 HydrophobicContact CH2-CE2 4.5Å; W2-F520 HydrophobicContact CH2-CZ 4Å |
| 3 | F | 74.3 | Confident | 80.7 | Confident | 129 Ų | 129 | 55.4 Ų | 55.4 | 57% | 0.566 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -53.1 | -43.5 | 175.7 | -177.7 | -93.3 | 0 | 0 | 0 | 113.1 | M1 A7 V121 | M1-F3 PolarHBondContact O-N 2.61Å; F3-A7 WeakPolarHBondContact O-CB 3.11Å; F3-A7 PolarHBondContact O-N 3.2Å; F3-V121 HydrophobicContact CD2-CG1 4.06Å |
| 4 | C | 82 | Confident | 81 | Confident | 50 Ų | 50 | 53.6 Ų | 53.6 | 34% | 0.338 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -73.1 | -32.2 | -179.7 | -161.4 | 0 | 0 | 0 | 0 | 111.8 | M1 W2 K8 | M1-C4 WeakPolarHBondContact O-CB 3.43Å; M1-C4 PolarHBondContact O-N 3.48Å; M1-C4 VanDerWaalsContact O-N 3.12Å; W2-C4 VanDerWaalsContact C-N 3.26Å; W2-C4 PolarHBondContact O-N 3.29Å; C4-K8 VanDerWaalsContact O-CG 3.22Å; C4-K8 WeakPolarHBondContact O-CG 3.37Å; C4-K8 PolarHBondContact O-N 3.4Å |
| 5 | L | 81 | Confident | 81.5 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.2 | -50.5 | 172 | 173.1 | 59.1 | 0 | 0 | 0 | 110.7 | M1 W2 A7 K8 S9 E46 K49 L50 | M1-L5 PolarHBondContact O-N 3.46Å; M1-L5 VanDerWaalsContact O-N 3.08Å; W2-L5 HydrophobicContact CE3-CD2 3.72Å; W2-L5 HydrophobicContact CH2-CD2 4.41Å; W2-L5 HydrophobicContact CZ3-CD2 3.55Å; W2-L5 WeakPolarHBondContact O-CB 3.24Å; W2-L5 PolarHBondContact O-N 2.84Å; L5-A7 PolarHBondContact O-N 3.14Å; L5-K8 PolarHBondContact O-N 3.36Å; L5-S9 PolarHBondContact O-N 3.27Å; L5-S9 PolarHBondContact O-OG 2.97Å; L5-E46 HydrophobicContact CD1-CG 3.76Å; L5-K49 HydrophobicContact CB-CB 4.39Å; L5-K49 HydrophobicContact CD1-CB 4.23Å; L5-L50 HydrophobicContact CD1-CD1 4.42Å; L5-L50 HydrophobicContact CD1-CD2 3.95Å; L5-L50 HydrophobicContact CD1-CG 3.67Å; L5-L50 HydrophobicContact CD2-CD2 3.5Å; L5-L50 VanDerWaalsContact CD2-CD2 3.5Å; L5-L50 HydrophobicContact CD2-CG 4.13Å; L5-L50 HydrophobicContact CG-CD2 4.37Å |
| 6 | A | 77.9 | Confident | 81.9 | Confident | 27 Ų | 27 | 47.3 Ų | 47.3 | 22% | 0.223 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.6 | -48.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | W2 K8 S9 D10 R125 | W2-A6 WeakPolarHBondContact O-CB 3.11Å; W2-A6 PolarHBondContact O-N 2.65Å; A6-K8 VanDerWaalsContact C-N 3.26Å; A6-K8 PolarHBondContact O-N 2.87Å; A6-S9 PolarHBondContact O-N 3.15Å; A6-S9 VanDerWaalsContact O-N 3.12Å; A6-D10 WeakPolarHBondContact O-CB 3.04Å; A6-D10 PolarHBondContact O-N 3.38Å; A6-D10 VanDerWaalsContact O-OD2 3.11Å; A6-R125 VanDerWaalsContact CB-NH2 3.34Å |
| 7 | A | 84.5 | Confident | 82.1 | Confident | 42 Ų | 42 | 48.8 Ų | 48.8 | 35% | 0.347 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.6 | -33.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F3 L5 K11 | F3-A7 WeakPolarHBondContact O-CB 3.11Å; F3-A7 PolarHBondContact O-N 3.2Å; L5-A7 PolarHBondContact O-N 3.14Å; A7-K11 WeakPolarHBondContact O-CB 3.19Å; A7-K11 PolarHBondContact O-N 3.24Å; A7-K11 VanDerWaalsContact O-N 3.1Å |
| 8 | K | 86.8 | Confident | 82.3 | Confident | 60 Ų | 60 | 47.4 Ų | 47.4 | 26% | 0.261 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -75.9 | -38.3 | 176 | -68.1 | -67.1 | -177.8 | 177.4 | 0 | 112.1 | C4 L5 A6 R12 E45 E46 | C4-K8 VanDerWaalsContact O-CG 3.22Å; C4-K8 WeakPolarHBondContact O-CG 3.37Å; C4-K8 PolarHBondContact O-N 3.4Å; L5-K8 PolarHBondContact O-N 3.36Å; A6-K8 VanDerWaalsContact C-N 3.26Å; A6-K8 PolarHBondContact O-N 2.87Å; K8-R12 PolarHBondContact O-N 3.47Å; K8-R12 VanDerWaalsContact O-N 3.08Å; K8-E45 HydrophobicContact CD-CB 4.43Å; K8-E45 WeakPolarHBondContact CD-OE2 3.42Å; K8-E45 WeakPolarHBondContact CE-OE2 3.37Å; K8-E45 IonicContact NZ-OE2 3.85Å; K8-E45 PolarHBondContact NZ-OE2 3.34Å; K8-E46 HydrophobicContact CB-CB 4.48Å |
| 9 | S | 83.7 | Confident | 82.6 | Confident | 14 Ų | 14 | 45.1 Ų | 45.1 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 172.5 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | L5 A6 R12 I13 E46 | L5-S9 PolarHBondContact O-N 3.27Å; L5-S9 PolarHBondContact O-OG 2.97Å; A6-S9 PolarHBondContact O-N 3.15Å; A6-S9 VanDerWaalsContact O-N 3.12Å; S9-R12 PolarHBondContact O-N 2.91Å; S9-I13 VanDerWaalsContact O-CG1 3.29Å; S9-I13 WeakPolarHBondContact O-CG1 3.22Å; S9-I13 PolarHBondContact O-N 3.47Å; S9-E46 VanDerWaalsContact OG-CD 3.32Å; S9-E46 PolarHBondContact OG-OE1 3.15Å |
| 10 | D | 83.7 | Confident | 82.8 | Confident | 77 Ų | 77 | 43.2 Ų | 43.2 | 41% | 0.412 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.5 | -47 | 176.6 | -62.9 | -23 | 0 | 0 | 0 | 110.3 | A6 R12 I13 S14 R125 | A6-D10 WeakPolarHBondContact O-CB 3.04Å; A6-D10 PolarHBondContact O-N 3.38Å; A6-D10 VanDerWaalsContact O-OD2 3.11Å; D10-R12 PolarHBondContact O-N 3.16Å; D10-I13 PolarHBondContact O-N 3.22Å; D10-S14 PolarHBondContact O-N 3.43Å; D10-R125 IonicContact OD2-CZ 3.55Å; D10-R125 IonicContact OD2-NH1 2.94Å; D10-R125 PolarHBondContact OD2-NH1 3.36Å; D10-R125 VanDerWaalsContact OD2-NH1 3.09Å; D10-R125 IonicContact OD2-NH2 3.87Å; D10-R125 PolarHBondContact OD2-NH2 3.25Å |
| 11 | K | 86 | Confident | 82.8 | Confident | 94 Ų | 94 | 45.3 Ų | 45.3 | 41% | 0.409 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.5 | -46.2 | 174 | -176.8 | -179.6 | 178.8 | -175.4 | 0 | 112.5 | A7 I13 S14 I15 | A7-K11 WeakPolarHBondContact O-CB 3.19Å; A7-K11 PolarHBondContact O-N 3.24Å; A7-K11 VanDerWaalsContact O-N 3.1Å; K11-I13 VanDerWaalsContact C-N 3.32Å; K11-I13 PolarHBondContact O-N 3.21Å; K11-S14 PolarHBondContact O-N 2.83Å; K11-I15 HydrophobicContact CG-CD1 3.99Å; K11-I15 VanDerWaalsContact O-CG1 3.31Å; K11-I15 WeakPolarHBondContact O-CG1 3.49Å; K11-I15 PolarHBondContact O-N 3.15Å; K11-I15 VanDerWaalsContact O-N 3.1Å |
| 12 | R | 88.9 | Confident | 83.8 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.8 | -40.8 | 178.5 | -177 | -170.5 | 61.1 | 71.6 | 5.4 | 111.3 | K8 S9 D10 M16 A42 E46 H485 | K8-R12 PolarHBondContact O-N 3.47Å; K8-R12 VanDerWaalsContact O-N 3.08Å; S9-R12 PolarHBondContact O-N 2.91Å; D10-R12 PolarHBondContact O-N 3.16Å; R12-M16 HydrophobicContact CG-SD 4.4Å; R12-M16 PolarHBondContact NH1-SD 3.08Å; R12-M16 WeakPolarHBondContact O-CB 3.31Å; R12-M16 WeakPolarHBondContact O-CG 3.31Å; R12-M16 PolarHBondContact O-N 3.07Å; R12-A42 HydrophobicContact CB-CB 4.17Å; R12-A42 HydrophobicContact CG-CB 4.23Å; R12-E46 WeakPolarHBondContact CD-OE2 3.46Å; R12-E46 IonicContact NE-OE2 3.3Å; R12-E46 PolarHBondContact NE-OE2 3.34Å; R12-H485 PolarHBondContact NH1-NE2 3.42Å |
| 13 | I | 86.1 | Confident | 84.8 | Confident | 41 Ų | 41 | 37.4 Ų | 37.4 | 21% | 0.21 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.8 | -46 | -179.9 | -71.1 | 168.4 | 0 | 0 | 0 | 110.8 | S9 D10 K11 M16 N17 V509 | S9-I13 VanDerWaalsContact O-CG1 3.29Å; S9-I13 WeakPolarHBondContact O-CG1 3.22Å; S9-I13 PolarHBondContact O-N 3.47Å; D10-I13 PolarHBondContact O-N 3.22Å; K11-I13 VanDerWaalsContact C-N 3.32Å; K11-I13 PolarHBondContact O-N 3.21Å; I13-M16 PolarHBondContact O-N 3.39Å; I13-N17 WeakPolarHBondContact O-CB 3.47Å; I13-N17 PolarHBondContact O-N 3.1Å; I13-V509 HydrophobicContact CB-CG1 4.32Å; I13-V509 HydrophobicContact CD1-CG1 4.33Å; I13-V509 HydrophobicContact CG1-CG1 4.04Å; I13-V509 HydrophobicContact CG2-CG1 3.46Å; I13-V509 VanDerWaalsContact CG2-CG1 3.46Å |
| 14 | S | 85.1 | Confident | 85.5 | Confident | 30 Ų | 30 | 36.7 Ų | 36.7 | 21% | 0.21 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.2 | -50.5 | 175.4 | 156.4 | 0 | 0 | 0 | 0 | 111.4 | D10 K11 M16 N17 E18 E775 | D10-S14 PolarHBondContact O-N 3.43Å; K11-S14 PolarHBondContact O-N 2.83Å; S14-M16 VanDerWaalsContact C-N 3.34Å; S14-M16 PolarHBondContact O-N 3.34Å; S14-N17 WeakPolarHBondContact O-CB 3.2Å; S14-N17 PolarHBondContact O-N 2.61Å; S14-N17 VanDerWaalsContact O-N 3.11Å; S14-E18 PolarHBondContact O-N 3.2Å; S14-E775 PolarHBondContact OG-OE1 3.03Å |
| 15 | I | 87.5 | Confident | 86 | Confident | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.036 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.9 | -45.2 | 177 | -66.8 | 167.2 | 0 | 0 | 0 | 111.5 | K11 N17 E18 I19 L38 V39 A42 | K11-I15 HydrophobicContact CG-CD1 3.99Å; K11-I15 VanDerWaalsContact O-CG1 3.31Å; K11-I15 WeakPolarHBondContact O-CG1 3.49Å; K11-I15 PolarHBondContact O-N 3.15Å; K11-I15 VanDerWaalsContact O-N 3.1Å; I15-N17 PolarHBondContact O-N 3.02Å; I15-E18 PolarHBondContact O-N 2.77Å; I15-I19 HydrophobicContact CG2-CD1 3.66Å; I15-I19 HydrophobicContact CG2-CG1 4.48Å; I15-I19 WeakPolarHBondContact O-CD1 3.4Å; I15-I19 VanDerWaalsContact O-CG1 3.27Å; I15-I19 WeakPolarHBondContact O-CG1 3.44Å; I15-I19 PolarHBondContact O-N 3.16Å; I15-L38 HydrophobicContact CG2-CD2 3.82Å; I15-L38 HydrophobicContact CG2-CG 4.13Å; I15-V39 HydrophobicContact CG2-CG2 3.96Å; I15-A42 HydrophobicContact CD1-CB 4.41Å |
| 16 | M | 88.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | 177.3 | -79.7 | -175.9 | 57 | 0 | 0 | 111.9 | R12 I13 S14 I19 L20 V39 F489 | R12-M16 HydrophobicContact CG-SD 4.4Å; R12-M16 PolarHBondContact NH1-SD 3.08Å; R12-M16 WeakPolarHBondContact O-CB 3.31Å; R12-M16 WeakPolarHBondContact O-CG 3.31Å; R12-M16 PolarHBondContact O-N 3.07Å; I13-M16 PolarHBondContact O-N 3.39Å; S14-M16 VanDerWaalsContact C-N 3.34Å; S14-M16 PolarHBondContact O-N 3.34Å; M16-I19 PolarHBondContact O-N 3.36Å; M16-L20 WeakPolarHBondContact O-CB 3.39Å; M16-L20 WeakPolarHBondContact O-CG 3.41Å; M16-L20 PolarHBondContact O-N 3.46Å; M16-V39 HydrophobicContact CG-CG1 3.91Å; M16-V39 HydrophobicContact CG-CG2 3.95Å; M16-V39 HydrophobicContact SD-CG1 4.07Å; M16-F489 HydrophobicContact CE-CD2 3.85Å; M16-F489 HydrophobicContact CE-CE2 4.06Å; M16-F489 HydrophobicContact CG-CD2 4.48Å; M16-F489 HydrophobicContact CG-CE2 3.99Å; M16-F489 HydrophobicContact SD-CD2 4.35Å; M16-F489 HydrophobicContact SD-CE2 4.43Å |
| 17 | N | 85.1 | Confident | 87.2 | Confident | 72 Ų | 72 | 33.5 Ų | 33.5 | 39% | 0.385 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 179.1 | -167.8 | 29.8 | 0 | 0 | 0 | 111.3 | I13 S14 I15 L20 N21 | I13-N17 WeakPolarHBondContact O-CB 3.47Å; I13-N17 PolarHBondContact O-N 3.1Å; S14-N17 WeakPolarHBondContact O-CB 3.2Å; S14-N17 PolarHBondContact O-N 2.61Å; S14-N17 VanDerWaalsContact O-N 3.11Å; I15-N17 PolarHBondContact O-N 3.02Å; N17-L20 PolarHBondContact O-N 2.9Å; N17-N21 WeakPolarHBondContact O-CB 3.47Å; N17-N21 PolarHBondContact O-N 3.03Å; N17-N21 PolarHBondContact O-ND2 3.44Å; N17-N21 PolarHBondContact OD1-ND2 2.75Å |
| 18 | E | 85.1 | Confident | 87.6 | Confident | 24 Ų | 24 | 31.9 Ų | 31.9 | 11% | 0.112 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 176.8 | -167.6 | 174.1 | -146.1 | 0 | 0 | 111.9 | S14 I15 A22 F730 L731 G776 | S14-E18 PolarHBondContact O-N 3.2Å; I15-E18 PolarHBondContact O-N 2.77Å; E18-A22 VanDerWaalsContact O-CB 3.3Å; E18-A22 WeakPolarHBondContact O-CB 3.22Å; E18-A22 PolarHBondContact O-N 3.28Å; E18-F730 HydrophobicContact CG-CD1 4.02Å; E18-F730 VanDerWaalsContact OE1-CA 3.26Å; E18-F730 WeakPolarHBondContact OE1-CA 3.32Å; E18-L731 VanDerWaalsContact CD-N 3.33Å; E18-L731 PolarHBondContact OE1-N 3.48Å; E18-L731 WeakPolarHBondContact OE2-CB 3.32Å; E18-L731 PolarHBondContact OE2-N 3.41Å; E18-G776 PolarHBondContact OE1-N 3.23Å; E18-G776 VanDerWaalsContact OE1-N 3.11Å |
| 19 | I | 89.3 | Confident | 87.9 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.7 | -46.7 | 176.8 | -70.2 | 162.8 | 0 | 0 | 0 | 111.5 | I15 M16 A22 A23 I26 F35 V39 F489 I493 | I15-I19 HydrophobicContact CG2-CD1 3.66Å; I15-I19 HydrophobicContact CG2-CG1 4.48Å; I15-I19 WeakPolarHBondContact O-CD1 3.4Å; I15-I19 VanDerWaalsContact O-CG1 3.27Å; I15-I19 WeakPolarHBondContact O-CG1 3.44Å; I15-I19 PolarHBondContact O-N 3.16Å; M16-I19 PolarHBondContact O-N 3.36Å; I19-A22 CarbonylContact O-C 3.26Å; I19-A22 PolarHBondContact O-N 3.24Å; I19-A23 PolarHBondContact O-N 3.02Å; I19-I26 HydrophobicContact CB-CD1 4.1Å; I19-I26 HydrophobicContact CG1-CD1 4.27Å; I19-I26 HydrophobicContact CG2-CD1 3.69Å; I19-I26 WeakPolarHBondContact O-CD1 3.48Å; I19-F35 HydrophobicContact CD1-CB 3.84Å; I19-F35 HydrophobicContact CD1-CD1 3.74Å; I19-F35 HydrophobicContact CD1-CG 4.15Å; I19-F35 HydrophobicContact CG1-CB 4.1Å; I19-F35 HydrophobicContact CG1-CD1 3.55Å; I19-F35 HydrophobicContact CG1-CE1 4.25Å; I19-F35 HydrophobicContact CG1-CG 3.98Å; I19-F35 HydrophobicContact CG2-CB 4.48Å; I19-V39 HydrophobicContact CD1-CG2 3.46Å; I19-V39 VanDerWaalsContact CD1-CG2 3.46Å; I19-F489 HydrophobicContact CD1-CZ 4.31Å; I19-F489 HydrophobicContact CG2-CZ 4.17Å; I19-I493 HydrophobicContact CG2-CD1 4.47Å |
| 20 | L | 87.1 | Confident | 88.4 | Confident | 7 Ų | 7 | 28.5 Ų | 28.5 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.1 | -37.1 | -175.8 | -65.3 | 172.9 | 0 | 0 | 0 | 111.2 | M16 N17 A22 A23 V492 F500 I505 | M16-L20 WeakPolarHBondContact O-CB 3.39Å; M16-L20 WeakPolarHBondContact O-CG 3.41Å; M16-L20 PolarHBondContact O-N 3.46Å; N17-L20 PolarHBondContact O-N 2.9Å; L20-A22 VanDerWaalsContact C-N 3.3Å; L20-A22 PolarHBondContact O-N 2.92Å; L20-A23 WeakPolarHBondContact O-CB 3.41Å; L20-A23 PolarHBondContact O-N 3.22Å; L20-V492 HydrophobicContact CD2-CG1 3.73Å; L20-F500 HydrophobicContact CD2-CD1 4.26Å; L20-F500 HydrophobicContact CD2-CE1 3.59Å; L20-I505 HydrophobicContact CB-CB 4.47Å; L20-I505 HydrophobicContact CB-CD1 3.83Å; L20-I505 HydrophobicContact CB-CG1 3.92Å; L20-I505 HydrophobicContact CB-CG2 3.73Å; L20-I505 HydrophobicContact CD1-CG2 3.63Å; L20-I505 HydrophobicContact CG-CG2 4.31Å |
| 21 | N | 82.1 | Confident | 88.8 | Confident | 88 Ų | 88 | 25.4 Ų | 25.4 | 47% | 0.471 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -67.5 | -29.8 | 173.4 | -74.2 | -52.5 | 0 | 0 | 0 | 112.6 | N17 I505 | N17-N21 WeakPolarHBondContact O-CB 3.47Å; N17-N21 PolarHBondContact O-N 3.03Å; N17-N21 PolarHBondContact O-ND2 3.44Å; N17-N21 PolarHBondContact OD1-ND2 2.75Å; N21-I505 WeakPolarHBondContact OD1-CD1 3.48Å |
| 22 | A | 87.4 | Confident | 89.1 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 2% | 0.017 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 14.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E18 I19 L20 R24 V25 I26 I728 F730 | E18-A22 VanDerWaalsContact O-CB 3.3Å; E18-A22 WeakPolarHBondContact O-CB 3.22Å; E18-A22 PolarHBondContact O-N 3.28Å; I19-A22 CarbonylContact O-C 3.26Å; I19-A22 PolarHBondContact O-N 3.24Å; L20-A22 VanDerWaalsContact C-N 3.3Å; L20-A22 PolarHBondContact O-N 2.92Å; A22-R24 PolarHBondContact O-N 3.15Å; A22-R24 VanDerWaalsContact O-N 3.11Å; A22-V25 PolarHBondContact O-N 3.45Å; A22-I26 HydrophobicContact CB-CD1 4.27Å; A22-I26 HydrophobicContact CB-CG1 4.38Å; A22-I26 WeakPolarHBondContact O-CG1 3.43Å; A22-I26 PolarHBondContact O-N 3Å; A22-I728 HydrophobicContact CB-CD1 3.71Å; A22-I728 HydrophobicContact CB-CG2 4.04Å; A22-F730 HydrophobicContact CB-CE1 3.54Å; A22-F730 HydrophobicContact CB-CZ 3.79Å |
| 23 | A | 89.4 | Confident | 89.2 | Confident | 8 Ų | 8 | 27.5 Ų | 27.5 | 7% | 0.066 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -54.7 | -37.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I19 L20 K27 I497 F500 | I19-A23 PolarHBondContact O-N 3.02Å; L20-A23 WeakPolarHBondContact O-CB 3.41Å; L20-A23 PolarHBondContact O-N 3.22Å; A23-K27 WeakPolarHBondContact O-CB 3.49Å; A23-K27 VanDerWaalsContact O-CG 3.25Å; A23-K27 WeakPolarHBondContact O-CG 3.4Å; A23-K27 PolarHBondContact O-N 3.08Å; A23-I497 HydrophobicContact CB-CD1 4.43Å; A23-F500 HydrophobicContact CB-CD1 3.74Å; A23-F500 HydrophobicContact CB-CD2 4.15Å; A23-F500 HydrophobicContact CB-CE1 3.71Å; A23-F500 HydrophobicContact CB-CE2 4.13Å; A23-F500 HydrophobicContact CB-CG 3.95Å; A23-F500 HydrophobicContact CB-CZ 3.9Å |
| 24 | R | 89.4 | Confident | 89.4 | Confident | 114 Ų | 114 | 26.7 Ų | 26.7 | 43% | 0.43 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -60.1 | -50.7 | 176.9 | -170.2 | -179.7 | -63.8 | 175 | 1.3 | 111.8 | A22 K27 M28 I497 L694 | A22-R24 PolarHBondContact O-N 3.15Å; A22-R24 VanDerWaalsContact O-N 3.11Å; R24-K27 PolarHBondContact O-N 3.39Å; R24-M28 HydrophobicContact CG-CE 3.79Å; R24-M28 HydrophobicContact CG-SD 4.15Å; R24-M28 VanDerWaalsContact O-CG 3.29Å; R24-M28 WeakPolarHBondContact O-CG 3.47Å; R24-M28 PolarHBondContact O-N 3.26Å; R24-I497 HydrophobicContact CB-CD1 3.82Å; R24-I497 HydrophobicContact CG-CD1 4.42Å; R24-L694 HydrophobicContact CG-CD1 4.13Å |
| 25 | V | 90.9 | Very high | 89.7 | Confident | 13 Ų | 13 | 26 Ų | 26 | 8% | 0.079 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.5 | -42.1 | -178.5 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | A22 K27 M28 Y29 P724 I728 | A22-V25 PolarHBondContact O-N 3.45Å; V25-K27 VanDerWaalsContact C-N 3.32Å; V25-K27 PolarHBondContact O-N 3.01Å; V25-M28 PolarHBondContact O-N 3.39Å; V25-Y29 HydrophobicContact CG1-CD2 3.52Å; V25-Y29 HydrophobicContact CG1-CE2 3.35Å; V25-Y29 VanDerWaalsContact O-CD2 3.28Å; V25-Y29 WeakPolarHBondContact O-CD2 3.26Å; V25-Y29 PolarHBondContact O-N 3.49Å; V25-P724 HydrophobicContact CG2-CB 4.31Å; V25-P724 HydrophobicContact CG2-CG 4.49Å; V25-I728 HydrophobicContact CG2-CD1 4.03Å |
| 26 | I | 92.7 | Very high | 89.8 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.2 | -45.2 | 176.2 | -68.6 | 175.4 | 0 | 0 | 0 | 111 | I19 A22 Y29 A30 W31 E32 F35 F730 | I19-I26 HydrophobicContact CB-CD1 4.1Å; I19-I26 HydrophobicContact CG1-CD1 4.27Å; I19-I26 HydrophobicContact CG2-CD1 3.69Å; I19-I26 WeakPolarHBondContact O-CD1 3.48Å; A22-I26 HydrophobicContact CB-CD1 4.27Å; A22-I26 HydrophobicContact CB-CG1 4.38Å; A22-I26 WeakPolarHBondContact O-CG1 3.43Å; A22-I26 PolarHBondContact O-N 3Å; I26-Y29 PolarHBondContact O-N 2.94Å; I26-A30 PolarHBondContact O-N 3.41Å; I26-A30 VanDerWaalsContact O-N 3.15Å; I26-W31 HydrophobicContact CG2-CB 4.06Å; I26-W31 PolarHBondContact O-N 3.04Å; I26-E32 HydrophobicContact CG2-CG 4.26Å; I26-F35 HydrophobicContact CD1-CD2 3.75Å; I26-F35 HydrophobicContact CD1-CE2 3.98Å; I26-F35 HydrophobicContact CD1-CG 4.14Å; I26-F35 HydrophobicContact CG1-CD2 3.92Å; I26-F35 HydrophobicContact CG1-CE2 3.85Å; I26-F35 HydrophobicContact CG2-CD2 3.91Å; I26-F35 HydrophobicContact CG2-CE2 4.49Å; I26-F730 HydrophobicContact CD1-CE1 3.82Å; I26-F730 HydrophobicContact CD1-CZ 4Å; I26-F730 HydrophobicContact CG1-CE1 3.99Å; I26-F730 HydrophobicContact CG1-CZ 3.63Å |
| 27 | K | 92.9 | Very high | 89.9 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.3 | -46.9 | 177.3 | -73.6 | 171.2 | -178.1 | -70.1 | 0 | 111.5 | A23 R24 V25 Y29 A30 E32 I493 A495 E625 L694 R717 | A23-K27 WeakPolarHBondContact O-CB 3.49Å; A23-K27 VanDerWaalsContact O-CG 3.25Å; A23-K27 WeakPolarHBondContact O-CG 3.4Å; A23-K27 PolarHBondContact O-N 3.08Å; R24-K27 PolarHBondContact O-N 3.39Å; V25-K27 VanDerWaalsContact C-N 3.32Å; V25-K27 PolarHBondContact O-N 3.01Å; K27-Y29 VanDerWaalsContact C-N 3.26Å; K27-Y29 PolarHBondContact O-N 3.01Å; K27-A30 PolarHBondContact O-N 3.25Å; K27-E32 HydrophobicContact CG-CG 4.46Å; K27-I493 PolarHBondContact NZ-O 3.24Å; K27-A495 VanDerWaalsContact CE-O 3.28Å; K27-A495 WeakPolarHBondContact CE-O 3.34Å; K27-A495 PolarHBondContact NZ-O 2.78Å; K27-E625 WeakPolarHBondContact CD-OE1 2.84Å; K27-E625 VanDerWaalsContact CE-OE1 3.27Å; K27-E625 WeakPolarHBondContact CE-OE1 3.35Å; K27-E625 VanDerWaalsContact NZ-CD 3.32Å; K27-E625 IonicContact NZ-OE1 3.14Å; K27-E625 PolarHBondContact NZ-OE1 3.03Å; K27-E625 IonicContact NZ-OE2 3.87Å; K27-L694 HydrophobicContact CB-CD2 3.79Å; K27-L694 HydrophobicContact CD-CD2 4.42Å; K27-R717 VanDerWaalsContact O-CD 3.3Å; K27-R717 WeakPolarHBondContact O-CD 3.46Å |
| 28 | M | 92.4 | Very high | 90.1 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 3% | 0.034 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.9 | -35.6 | 179.3 | -68.8 | 166.4 | 166.1 | 0 | 0 | 112.8 | R24 V25 A30 I688 F692 L694 I722 | R24-M28 HydrophobicContact CG-CE 3.79Å; R24-M28 HydrophobicContact CG-SD 4.15Å; R24-M28 VanDerWaalsContact O-CG 3.29Å; R24-M28 WeakPolarHBondContact O-CG 3.47Å; R24-M28 PolarHBondContact O-N 3.26Å; V25-M28 PolarHBondContact O-N 3.39Å; M28-A30 VanDerWaalsContact C-N 3.35Å; M28-I688 HydrophobicContact CE-CG2 3.73Å; M28-F692 HydrophobicContact CB-CD1 4.1Å; M28-F692 HydrophobicContact CB-CE1 4.17Å; M28-F692 HydrophobicContact CG-CD1 4.16Å; M28-F692 HydrophobicContact CG-CG 4.19Å; M28-L694 HydrophobicContact CE-CD1 3.54Å; M28-L694 HydrophobicContact CG-CD1 4.07Å; M28-L694 HydrophobicContact CG-CD2 4.46Å; M28-I722 HydrophobicContact CB-CG2 4.02Å; M28-I722 HydrophobicContact CE-CD1 4.18Å; M28-I722 HydrophobicContact SD-CD1 3.68Å |
| 29 | Y | 92.7 | Very high | 90.4 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -6.6 | 174.9 | -72.2 | -55.3 | 0 | 0 | 0 | 114.8 | V25 I26 K27 W31 I722 P724 | V25-Y29 HydrophobicContact CG1-CD2 3.52Å; V25-Y29 HydrophobicContact CG1-CE2 3.35Å; V25-Y29 VanDerWaalsContact O-CD2 3.28Å; V25-Y29 WeakPolarHBondContact O-CD2 3.26Å; V25-Y29 PolarHBondContact O-N 3.49Å; I26-Y29 PolarHBondContact O-N 2.94Å; K27-Y29 VanDerWaalsContact C-N 3.26Å; K27-Y29 PolarHBondContact O-N 3.01Å; Y29-W31 VanDerWaalsContact C-N 3.32Å; Y29-W31 HydrophobicContact CD2-CD2 4.27Å; Y29-W31 AromaticContact CD2-CE3 3.99Å; Y29-W31 HydrophobicContact CD2-CE3 3.99Å; Y29-W31 HydrophobicContact CD2-CH2 4.28Å; Y29-W31 HydrophobicContact CD2-CZ2 4.48Å; Y29-W31 HydrophobicContact CD2-CZ3 4.01Å; Y29-W31 HydrophobicContact CE2-CZ3 4.48Å; Y29-W31 HydrophobicContact CG-CD2 4.13Å; Y29-W31 HydrophobicContact CG-CE3 4.32Å; Y29-W31 HydrophobicContact CG-CZ2 4.27Å; Y29-W31 VanDerWaalsContact O-CD1 3.24Å; Y29-I722 HydrophobicContact CD1-CG2 4.31Å; Y29-I722 HydrophobicContact CE1-CG2 3.89Å; Y29-I722 PolarHBondContact OH-O 2.77Å; Y29-I722 VanDerWaalsContact OH-O 3.06Å; Y29-P724 WeakPolarHBondContact OH-CD 3.16Å |
| 30 | A | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 38.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I26 K27 M28 E32 R717 K718 F741 | I26-A30 PolarHBondContact O-N 3.41Å; I26-A30 VanDerWaalsContact O-N 3.15Å; K27-A30 PolarHBondContact O-N 3.25Å; M28-A30 VanDerWaalsContact C-N 3.35Å; A30-E32 WeakPolarHBondContact CA-OE2 3.4Å; A30-R717 HydrophobicContact CB-CB 4.08Å; A30-K718 HydrophobicContact CB-CG 3.89Å; A30-F741 WeakPolarHBondContact O-CZ 3.49Å |
| 31 | W | 92.6 | Very high | 90.7 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 5% | 0.045 | 18% | 0.178 | C | C | . | . | trans | -94.1 | 10.7 | -176.2 | -72 | -3 | 0 | 0 | 0 | 114.1 | I26 Y29 Y33 P34 F35 F730 N737 P740 F741 R792 | I26-W31 HydrophobicContact CG2-CB 4.06Å; I26-W31 PolarHBondContact O-N 3.04Å; Y29-W31 VanDerWaalsContact C-N 3.32Å; Y29-W31 HydrophobicContact CD2-CD2 4.27Å; Y29-W31 AromaticContact CD2-CE3 3.99Å; Y29-W31 HydrophobicContact CD2-CE3 3.99Å; Y29-W31 HydrophobicContact CD2-CH2 4.28Å; Y29-W31 HydrophobicContact CD2-CZ2 4.48Å; Y29-W31 HydrophobicContact CD2-CZ3 4.01Å; Y29-W31 HydrophobicContact CE2-CZ3 4.48Å; Y29-W31 HydrophobicContact CG-CD2 4.13Å; Y29-W31 HydrophobicContact CG-CE3 4.32Å; Y29-W31 HydrophobicContact CG-CZ2 4.27Å; Y29-W31 VanDerWaalsContact O-CD1 3.24Å; W31-Y33 VanDerWaalsContact C-N 3.29Å; W31-Y33 PolarHBondContact O-N 3.4Å; W31-P34 VanDerWaalsContact O-CD 3.29Å; W31-P34 WeakPolarHBondContact O-CD 3.39Å; W31-F35 HydrophobicContact CB-CD2 3.89Å; W31-F35 HydrophobicContact CB-CE2 3.81Å; W31-F35 HydrophobicContact CD2-CE2 4.47Å; W31-F35 AromaticContact CE3-CE2 3.93Å; W31-F35 HydrophobicContact CE3-CE2 3.93Å; W31-F35 HydrophobicContact CE3-CZ 4.48Å; W31-F35 HydrophobicContact CG-CE2 4.5Å; W31-F35 WeakPolarHBondContact O-CD2 3.43Å; W31-F35 PolarHBondContact O-N 2.93Å; W31-F730 HydrophobicContact CE3-CE2 4.05Å; W31-F730 HydrophobicContact CZ3-CD2 4.34Å; W31-F730 AromaticContact CZ3-CE2 3.88Å; W31-F730 HydrophobicContact CZ3-CE2 3.88Å; W31-N737 WeakPolarHBondContact CH2-O 3.45Å; W31-P740 HydrophobicContact CD2-CG 3.68Å; W31-P740 VanDerWaalsContact CE2-CG 3.46Å; W31-P740 HydrophobicContact CE3-CG 3.99Å; W31-P740 HydrophobicContact CG-CG 4.26Å; W31-P740 HydrophobicContact CH2-CG 3.82Å; W31-P740 VanDerWaalsContact CZ2-CD 3.49Å; W31-P740 HydrophobicContact CZ2-CG 3.55Å; W31-P740 HydrophobicContact CZ3-CG 4.05Å; W31-F741 AromaticContact CD1-CE2 3.6Å; W31-R792 HydrophobicContact CH2-CG 4.45Å | ||
| 32 | E | 92.2 | Very high | 91.1 | Very high | 7 Ų | 7 | 35 Ų | 35 | 3% | 0.033 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.9 | -39.2 | -175.8 | -63.2 | 92.1 | 143.4 | 0 | 0 | 112.5 | I26 K27 A30 M36 I493 H714 R717 | I26-E32 HydrophobicContact CG2-CG 4.26Å; K27-E32 HydrophobicContact CG-CG 4.46Å; A30-E32 WeakPolarHBondContact CA-OE2 3.4Å; E32-M36 VanDerWaalsContact O-CB 3.28Å; E32-M36 WeakPolarHBondContact O-CB 3.37Å; E32-M36 PolarHBondContact O-N 2.95Å; E32-I493 HydrophobicContact CB-CD1 4.05Å; E32-I493 HydrophobicContact CB-CG1 4.06Å; E32-I493 HydrophobicContact CG-CG1 4.08Å; E32-I493 WeakPolarHBondContact O-CD1 3.5Å; E32-H714 IonicContact OE2-NE2 2.98Å; E32-H714 PolarHBondContact OE2-NE2 3.38Å; E32-R717 IonicContact OE1-NH1 3.59Å; E32-R717 PolarHBondContact OE1-NH1 3.24Å |
| 33 | Y | 91.1 | Very high | 91.2 | Very high | 132 Ų | 132 | 34.9 Ų | 34.9 | 52% | 0.518 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -69.4 | -51 | -176.7 | 179.2 | -90 | 0 | 0 | 0 | 113.8 | W31 F35 M36 M37 | W31-Y33 VanDerWaalsContact C-N 3.29Å; W31-Y33 PolarHBondContact O-N 3.4Å; Y33-F35 VanDerWaalsContact C-N 3.31Å; Y33-F35 PolarHBondContact O-N 3.41Å; Y33-M36 HydrophobicContact CD2-CE 3.65Å; Y33-M36 HydrophobicContact CE2-CE 3.99Å; Y33-M36 WeakPolarHBondContact O-CB 3.5Å; Y33-M36 PolarHBondContact O-N 3.46Å; Y33-M37 HydrophobicContact CD1-CG 4.36Å; Y33-M37 HydrophobicContact CE1-CG 3.9Å; Y33-M37 HydrophobicContact CE2-CG 4.37Å; Y33-M37 PolarHBondContact O-N 2.96Å |
| 34 | P | 90.2 | Very high | 91.3 | Very high | 23 Ų | 23 | 36.7 Ų | 36.7 | 15% | 0.149 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.4 | -44.4 | 174.4 | -28.8 | 34.2 | 0 | 0 | 0 | 113.2 | W31 M37 L38 P740 F741 | W31-P34 VanDerWaalsContact O-CD 3.29Å; W31-P34 WeakPolarHBondContact O-CD 3.39Å; P34-M37 PolarHBondContact O-N 3.35Å; P34-L38 WeakPolarHBondContact O-CB 3.38Å; P34-L38 PolarHBondContact O-N 3.09Å; P34-P740 HydrophobicContact CB-CB 4.1Å; P34-P740 HydrophobicContact CG-CB 4.24Å; P34-F741 VanDerWaalsContact CD-CZ 3.5Å; P34-F741 HydrophobicContact CG-CD1 3.6Å; P34-F741 HydrophobicContact CG-CD2 4.31Å; P34-F741 HydrophobicContact CG-CE1 3.26Å; P34-F741 HydrophobicContact CG-CE2 4.03Å; P34-F741 HydrophobicContact CG-CG 4.11Å; P34-F741 HydrophobicContact CG-CZ 3.49Å; P34-F741 VanDerWaalsContact CG-CZ 3.49Å |
| 35 | F | 90.9 | Very high | 91.3 | Very high | 16 Ų | 16 | 34.9 Ų | 34.9 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.3 | -34.5 | 178.8 | -76.2 | -65.5 | 0 | 0 | 0 | 112.9 | I19 I26 W31 Y33 M37 L38 V39 I493 F730 | I19-F35 HydrophobicContact CD1-CB 3.84Å; I19-F35 HydrophobicContact CD1-CD1 3.74Å; I19-F35 HydrophobicContact CD1-CG 4.15Å; I19-F35 HydrophobicContact CG1-CB 4.1Å; I19-F35 HydrophobicContact CG1-CD1 3.55Å; I19-F35 HydrophobicContact CG1-CE1 4.25Å; I19-F35 HydrophobicContact CG1-CG 3.98Å; I19-F35 HydrophobicContact CG2-CB 4.48Å; I26-F35 HydrophobicContact CD1-CD2 3.75Å; I26-F35 HydrophobicContact CD1-CE2 3.98Å; I26-F35 HydrophobicContact CD1-CG 4.14Å; I26-F35 HydrophobicContact CG1-CD2 3.92Å; I26-F35 HydrophobicContact CG1-CE2 3.85Å; I26-F35 HydrophobicContact CG2-CD2 3.91Å; I26-F35 HydrophobicContact CG2-CE2 4.49Å; W31-F35 HydrophobicContact CB-CD2 3.89Å; W31-F35 HydrophobicContact CB-CE2 3.81Å; W31-F35 HydrophobicContact CD2-CE2 4.47Å; W31-F35 AromaticContact CE3-CE2 3.93Å; W31-F35 HydrophobicContact CE3-CE2 3.93Å; W31-F35 HydrophobicContact CE3-CZ 4.48Å; W31-F35 HydrophobicContact CG-CE2 4.5Å; W31-F35 WeakPolarHBondContact O-CD2 3.43Å; W31-F35 PolarHBondContact O-N 2.93Å; Y33-F35 VanDerWaalsContact C-N 3.31Å; Y33-F35 PolarHBondContact O-N 3.41Å; F35-M37 VanDerWaalsContact C-N 3.35Å; F35-L38 HydrophobicContact CD1-CD2 4.16Å; F35-L38 HydrophobicContact CE1-CD2 4.46Å; F35-L38 PolarHBondContact O-N 3.38Å; F35-V39 WeakPolarHBondContact O-CG2 3.3Å; F35-V39 PolarHBondContact O-N 3.44Å; F35-V39 VanDerWaalsContact O-N 3.07Å; F35-I493 HydrophobicContact CB-CD1 4.43Å; F35-F730 HydrophobicContact CE1-CB 4.14Å; F35-F730 AromaticContact CE1-CD1 3.65Å; F35-F730 HydrophobicContact CE1-CD1 3.65Å; F35-F730 HydrophobicContact CE1-CD2 4.28Å; F35-F730 HydrophobicContact CE1-CE1 4.1Å; F35-F730 AromaticContact CE1-CG 3.75Å; F35-F730 HydrophobicContact CE1-CG 3.75Å; F35-F730 HydrophobicContact CE2-CD2 4.38Å; F35-F730 HydrophobicContact CE2-CE1 4.3Å; F35-F730 HydrophobicContact CE2-CE2 4.13Å; F35-F730 HydrophobicContact CE2-CZ 4.09Å; F35-F730 HydrophobicContact CZ-CB 4.18Å; F35-F730 AromaticContact CZ-CD1 3.57Å; F35-F730 HydrophobicContact CZ-CD1 3.57Å; F35-F730 AromaticContact CZ-CD2 3.51Å; F35-F730 HydrophobicContact CZ-CD2 3.51Å; F35-F730 AromaticContact CZ-CE1 3.73Å; F35-F730 HydrophobicContact CZ-CE1 3.73Å; F35-F730 AromaticContact CZ-CE2 3.68Å; F35-F730 HydrophobicContact CZ-CE2 3.68Å; F35-F730 AromaticContact CZ-CG 3.45Å; F35-F730 HydrophobicContact CZ-CG 3.45Å; F35-F730 VanDerWaalsContact CZ-CG 3.45Å; F35-F730 AromaticContact CZ-CZ 3.8Å; F35-F730 HydrophobicContact CZ-CZ 3.8Å |
| 36 | M | 91 | Very high | 91.2 | Very high | 41 Ų | 41 | 34.4 Ų | 34.4 | 20% | 0.202 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 170.8 | -177.1 | -176.3 | 65.1 | 0 | 0 | 112.1 | E32 Y33 R40 F489 H490 | E32-M36 VanDerWaalsContact O-CB 3.28Å; E32-M36 WeakPolarHBondContact O-CB 3.37Å; E32-M36 PolarHBondContact O-N 2.95Å; Y33-M36 HydrophobicContact CD2-CE 3.65Å; Y33-M36 HydrophobicContact CE2-CE 3.99Å; Y33-M36 WeakPolarHBondContact O-CB 3.5Å; Y33-M36 PolarHBondContact O-N 3.46Å; M36-R40 WeakPolarHBondContact O-CB 3.46Å; M36-R40 PolarHBondContact O-N 2.94Å; M36-F489 HydrophobicContact CB-CE1 4.46Å; M36-F489 HydrophobicContact CG-CD1 4.39Å; M36-H490 HydrophobicContact SD-CB 4.21Å; M36-H490 PolarHBondContact SD-ND1 3.33Å |
| 37 | M | 90.4 | Very high | 90.9 | Very high | 51 Ų | 51 | 34.5 Ų | 34.5 | 25% | 0.251 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.5 | -42.2 | 176 | -71.8 | -59.8 | -62.1 | 0 | 0 | 111.6 | Y33 P34 F35 V39 R40 D41 | Y33-M37 HydrophobicContact CD1-CG 4.36Å; Y33-M37 HydrophobicContact CE1-CG 3.9Å; Y33-M37 HydrophobicContact CE2-CG 4.37Å; Y33-M37 PolarHBondContact O-N 2.96Å; P34-M37 PolarHBondContact O-N 3.35Å; F35-M37 VanDerWaalsContact C-N 3.35Å; M37-V39 PolarHBondContact O-N 3.12Å; M37-R40 WeakPolarHBondContact O-CB 3.49Å; M37-R40 PolarHBondContact O-N 3.5Å; M37-R40 VanDerWaalsContact O-N 3.14Å; M37-D41 PolarHBondContact O-N 3.03Å |
| 38 | L | 89.8 | Confident | 90.7 | Very high | 69 Ų | 69 | 39.3 Ų | 39.3 | 36% | 0.361 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -57.3 | -45.9 | 176.8 | -175.1 | 65.1 | 0 | 0 | 0 | 112.4 | I15 P34 F35 D41 A42 | I15-L38 HydrophobicContact CG2-CD2 3.82Å; I15-L38 HydrophobicContact CG2-CG 4.13Å; P34-L38 WeakPolarHBondContact O-CB 3.38Å; P34-L38 PolarHBondContact O-N 3.09Å; F35-L38 HydrophobicContact CD1-CD2 4.16Å; F35-L38 HydrophobicContact CE1-CD2 4.46Å; F35-L38 PolarHBondContact O-N 3.38Å; L38-D41 PolarHBondContact O-N 3.47Å; L38-A42 WeakPolarHBondContact O-CB 2.94Å; L38-A42 PolarHBondContact O-N 3.22Å |
| 39 | V | 90.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.1 | -38.2 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | I15 M16 I19 F35 M37 A42 R43 F489 | I15-V39 HydrophobicContact CG2-CG2 3.96Å; M16-V39 HydrophobicContact CG-CG1 3.91Å; M16-V39 HydrophobicContact CG-CG2 3.95Å; M16-V39 HydrophobicContact SD-CG1 4.07Å; I19-V39 HydrophobicContact CD1-CG2 3.46Å; I19-V39 VanDerWaalsContact CD1-CG2 3.46Å; F35-V39 WeakPolarHBondContact O-CG2 3.3Å; F35-V39 PolarHBondContact O-N 3.44Å; F35-V39 VanDerWaalsContact O-N 3.07Å; M37-V39 PolarHBondContact O-N 3.12Å; V39-A42 PolarHBondContact O-N 3.24Å; V39-R43 WeakPolarHBondContact O-CB 3.36Å; V39-R43 PolarHBondContact O-N 3.36Å; V39-F489 HydrophobicContact CB-CD1 4.25Å; V39-F489 HydrophobicContact CB-CE1 3.89Å; V39-F489 HydrophobicContact CB-CZ 4.08Å; V39-F489 HydrophobicContact CG1-CD1 4.13Å; V39-F489 HydrophobicContact CG1-CD2 4.27Å; V39-F489 HydrophobicContact CG1-CE1 4.16Å; V39-F489 HydrophobicContact CG1-CE2 4.28Å; V39-F489 HydrophobicContact CG1-CG 4.19Å; V39-F489 HydrophobicContact CG1-CZ 4.22Å; V39-F489 HydrophobicContact CG2-CE1 3.89Å; V39-F489 HydrophobicContact CG2-CE2 4.19Å; V39-F489 HydrophobicContact CG2-CZ 3.61Å |
| 40 | R | 91.4 | Very high | 90 | Very high | 132 Ų | 132 | 41.4 Ų | 41.4 | 50% | 0.498 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.6 | -41.9 | 176.2 | -179.6 | -178.7 | 172.4 | 175.5 | -3 | 111.7 | M36 M37 R43 A44 F482 | M36-R40 WeakPolarHBondContact O-CB 3.46Å; M36-R40 PolarHBondContact O-N 2.94Å; M37-R40 WeakPolarHBondContact O-CB 3.49Å; M37-R40 PolarHBondContact O-N 3.5Å; M37-R40 VanDerWaalsContact O-N 3.14Å; R40-R43 PolarHBondContact O-N 3.46Å; R40-A44 PolarHBondContact O-N 3.44Å; R40-F482 HydrophobicContact CG-CZ 4.25Å |
| 41 | D | 91.2 | Very high | 89.7 | Confident | 85 Ų | 85 | 47.6 Ų | 47.6 | 46% | 0.455 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69 | -44.2 | 178.7 | -70 | -15.6 | 0 | 0 | 0 | 111.2 | M37 L38 R43 A44 E45 | M37-D41 PolarHBondContact O-N 3.03Å; L38-D41 PolarHBondContact O-N 3.47Å; D41-R43 VanDerWaalsContact C-N 3.26Å; D41-R43 PolarHBondContact O-N 3.49Å; D41-A44 WeakPolarHBondContact O-CB 3.38Å; D41-A44 PolarHBondContact O-N 2.85Å; D41-E45 PolarHBondContact O-N 2.7Å |
| 42 | A | 90.1 | Very high | 89.3 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 8% | 0.083 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.9 | -41.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R12 I15 L38 V39 E45 E46 | R12-A42 HydrophobicContact CB-CB 4.17Å; R12-A42 HydrophobicContact CG-CB 4.23Å; I15-A42 HydrophobicContact CD1-CB 4.41Å; L38-A42 WeakPolarHBondContact O-CB 2.94Å; L38-A42 PolarHBondContact O-N 3.22Å; V39-A42 PolarHBondContact O-N 3.24Å; A42-E45 PolarHBondContact O-N 3.04Å; A42-E46 PolarHBondContact O-N 3.42Å; A42-E46 VanDerWaalsContact O-N 3.14Å |
| 43 | R | 90.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.4 | -33.4 | 175.3 | -173 | 60.6 | 171.2 | 174.3 | -1.5 | 112.5 | V39 R40 D41 E46 M47 F482 S516 | V39-R43 WeakPolarHBondContact O-CB 3.36Å; V39-R43 PolarHBondContact O-N 3.36Å; R40-R43 PolarHBondContact O-N 3.46Å; D41-R43 VanDerWaalsContact C-N 3.26Å; D41-R43 PolarHBondContact O-N 3.49Å; R43-E46 VanDerWaalsContact CD-OE2 3.26Å; R43-E46 WeakPolarHBondContact CD-OE2 3.5Å; R43-E46 IonicContact CZ-OE2 3.13Å; R43-E46 IonicContact NE-OE2 3.23Å; R43-E46 IonicContact NH1-OE1 3.94Å; R43-E46 PolarHBondContact NH1-OE1 2.89Å; R43-E46 IonicContact NH1-OE2 3.33Å; R43-E46 PolarHBondContact NH1-OE2 3.47Å; R43-M47 VanDerWaalsContact O-CB 3.25Å; R43-M47 WeakPolarHBondContact O-CB 3.31Å; R43-M47 PolarHBondContact O-N 2.86Å; R43-F482 HydrophobicContact CB-CE2 4.27Å; R43-F482 HydrophobicContact CG-CD2 3.81Å; R43-F482 HydrophobicContact CG-CE2 3.84Å; R43-S516 PolarHBondContact NH1-OG 3.01Å; R43-S516 PolarHBondContact NH2-OG 3.34Å; R43-S516 VanDerWaalsContact NH2-OG 3.12Å |
| 44 | A | 91.1 | Very high | 88.4 | Confident | 45 Ų | 45 | 47.9 Ų | 47.9 | 37% | 0.372 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.3 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R40 D41 M47 Q48 | R40-A44 PolarHBondContact O-N 3.44Å; D41-A44 WeakPolarHBondContact O-CB 3.38Å; D41-A44 PolarHBondContact O-N 2.85Å; A44-M47 PolarHBondContact O-N 2.95Å; A44-Q48 PolarHBondContact O-N 2.87Å |
| 45 | E | 90.4 | Very high | 88.3 | Confident | 77 Ų | 77 | 50.4 Ų | 50.4 | 36% | 0.36 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 173.3 | -68.5 | -174.3 | -174.7 | 0 | 0 | 111.9 | K8 D41 A42 M47 Q48 K49 | K8-E45 HydrophobicContact CD-CB 4.43Å; K8-E45 WeakPolarHBondContact CD-OE2 3.42Å; K8-E45 WeakPolarHBondContact CE-OE2 3.37Å; K8-E45 IonicContact NZ-OE2 3.85Å; K8-E45 PolarHBondContact NZ-OE2 3.34Å; D41-E45 PolarHBondContact O-N 2.7Å; A42-E45 PolarHBondContact O-N 3.04Å; E45-M47 VanDerWaalsContact C-N 3.34Å; E45-M47 PolarHBondContact O-N 3.43Å; E45-Q48 WeakPolarHBondContact O-CB 3.1Å; E45-Q48 PolarHBondContact O-N 2.89Å; E45-K49 PolarHBondContact O-N 3.1Å |
| 46 | E | 87.9 | Confident | 87.9 | Confident | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 174.6 | -175.2 | -173.9 | -176.8 | 0 | 0 | 110.8 | L5 K8 S9 R12 A42 R43 Q48 K49 L50 | L5-E46 HydrophobicContact CD1-CG 3.76Å; K8-E46 HydrophobicContact CB-CB 4.48Å; S9-E46 VanDerWaalsContact OG-CD 3.32Å; S9-E46 PolarHBondContact OG-OE1 3.15Å; R12-E46 WeakPolarHBondContact CD-OE2 3.46Å; R12-E46 IonicContact NE-OE2 3.3Å; R12-E46 PolarHBondContact NE-OE2 3.34Å; A42-E46 PolarHBondContact O-N 3.42Å; A42-E46 VanDerWaalsContact O-N 3.14Å; R43-E46 VanDerWaalsContact CD-OE2 3.26Å; R43-E46 WeakPolarHBondContact CD-OE2 3.5Å; R43-E46 IonicContact CZ-OE2 3.13Å; R43-E46 IonicContact NE-OE2 3.23Å; R43-E46 IonicContact NH1-OE1 3.94Å; R43-E46 PolarHBondContact NH1-OE1 2.89Å; R43-E46 IonicContact NH1-OE2 3.33Å; R43-E46 PolarHBondContact NH1-OE2 3.47Å; E46-Q48 VanDerWaalsContact C-N 3.29Å; E46-Q48 PolarHBondContact O-N 3.3Å; E46-K49 PolarHBondContact O-N 3.01Å; E46-K49 VanDerWaalsContact O-N 3.1Å; E46-L50 HydrophobicContact CG-CD1 4.15Å; E46-L50 PolarHBondContact O-N 3.44Å |
| 47 | M | 86.5 | Confident | 87.4 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -34.5 | 180 | -172.1 | 56.6 | 57.1 | 0 | 0 | 112.3 | R43 A44 E45 K49 L50 R51 L478 F482 | R43-M47 VanDerWaalsContact O-CB 3.25Å; R43-M47 WeakPolarHBondContact O-CB 3.31Å; R43-M47 PolarHBondContact O-N 2.86Å; A44-M47 PolarHBondContact O-N 2.95Å; E45-M47 VanDerWaalsContact C-N 3.34Å; E45-M47 PolarHBondContact O-N 3.43Å; M47-K49 VanDerWaalsContact C-N 3.31Å; M47-K49 PolarHBondContact O-N 3.46Å; M47-L50 HydrophobicContact CE-CD1 4.19Å; M47-L50 PolarHBondContact O-N 3.22Å; M47-L50 HydrophobicContact SD-CB 4.34Å; M47-R51 HydrophobicContact CG-CG 4.47Å; M47-R51 WeakPolarHBondContact O-CB 3.42Å; M47-R51 VanDerWaalsContact O-CG 3.25Å; M47-R51 WeakPolarHBondContact O-CG 3.21Å; M47-R51 PolarHBondContact O-N 3.21Å; M47-R51 HydrophobicContact SD-CG 4.5Å; M47-L478 HydrophobicContact CE-CD2 4.4Å; M47-L478 HydrophobicContact SD-CB 3.83Å; M47-L478 HydrophobicContact SD-CD1 4.23Å; M47-L478 HydrophobicContact SD-CD2 3.95Å; M47-L478 HydrophobicContact SD-CG 4.23Å; M47-F482 HydrophobicContact CE-CB 4.11Å; M47-F482 HydrophobicContact CE-CD2 4.4Å |
| 48 | Q | 87.8 | Confident | 87.1 | Confident | 106 Ų | 106 | 49.3 Ų | 49.3 | 50% | 0.495 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.3 | -39.4 | 175.7 | -164.9 | -169.8 | 27.2 | 0 | 0 | 111.7 | A44 E45 E46 | A44-Q48 PolarHBondContact O-N 2.87Å; E45-Q48 WeakPolarHBondContact O-CB 3.1Å; E45-Q48 PolarHBondContact O-N 2.89Å; E46-Q48 VanDerWaalsContact C-N 3.29Å; E46-Q48 PolarHBondContact O-N 3.3Å |
| 49 | K | 86 | Confident | 86.9 | Confident | 50 Ų | 50 | 49 Ų | 49 | 22% | 0.217 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.2 | -42.6 | 175.1 | -59.9 | -61.3 | -177.7 | 179.4 | 0 | 111.4 | L5 E45 E46 M47 R51 R52 H53 | L5-K49 HydrophobicContact CB-CB 4.39Å; L5-K49 HydrophobicContact CD1-CB 4.23Å; E45-K49 PolarHBondContact O-N 3.1Å; E46-K49 PolarHBondContact O-N 3.01Å; E46-K49 VanDerWaalsContact O-N 3.1Å; M47-K49 VanDerWaalsContact C-N 3.31Å; M47-K49 PolarHBondContact O-N 3.46Å; K49-R51 VanDerWaalsContact C-N 3.32Å; K49-R51 PolarHBondContact O-N 3.14Å; K49-R52 PolarHBondContact O-N 3.35Å; K49-H53 PolarHBondContact O-N 3.37Å |
| 50 | L | 84.5 | Confident | 86.6 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.2 | -41 | 175.1 | -78.7 | 169 | 0 | 0 | 0 | 112.2 | L5 E46 M47 R52 H53 A54 L478 F520 | L5-L50 HydrophobicContact CD1-CD1 4.42Å; L5-L50 HydrophobicContact CD1-CD2 3.95Å; L5-L50 HydrophobicContact CD1-CG 3.67Å; L5-L50 HydrophobicContact CD2-CD2 3.5Å; L5-L50 VanDerWaalsContact CD2-CD2 3.5Å; L5-L50 HydrophobicContact CD2-CG 4.13Å; L5-L50 HydrophobicContact CG-CD2 4.37Å; E46-L50 HydrophobicContact CG-CD1 4.15Å; E46-L50 PolarHBondContact O-N 3.44Å; M47-L50 HydrophobicContact CE-CD1 4.19Å; M47-L50 PolarHBondContact O-N 3.22Å; M47-L50 HydrophobicContact SD-CB 4.34Å; L50-R52 PolarHBondContact O-N 3.09Å; L50-H53 PolarHBondContact O-N 2.98Å; L50-A54 WeakPolarHBondContact O-CB 3.43Å; L50-A54 PolarHBondContact O-N 2.63Å; L50-L478 HydrophobicContact CB-CD2 4.23Å; L50-F520 HydrophobicContact CD2-CE2 4.11Å; L50-F520 HydrophobicContact CD2-CZ 3.84Å |
| 51 | R | 87.1 | Confident | 86 | Confident | 131 Ų | 131 | 45.4 Ų | 45.4 | 49% | 0.494 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.6 | -41.5 | 177.4 | -77.3 | 175 | -173.2 | 168 | 6.5 | 112.9 | M47 K49 A54 L55 F475 L478 | M47-R51 HydrophobicContact CG-CG 4.47Å; M47-R51 WeakPolarHBondContact O-CB 3.42Å; M47-R51 VanDerWaalsContact O-CG 3.25Å; M47-R51 WeakPolarHBondContact O-CG 3.21Å; M47-R51 PolarHBondContact O-N 3.21Å; M47-R51 HydrophobicContact SD-CG 4.5Å; K49-R51 VanDerWaalsContact C-N 3.32Å; K49-R51 PolarHBondContact O-N 3.14Å; R51-A54 PolarHBondContact O-N 3.2Å; R51-L55 WeakPolarHBondContact O-CB 3.33Å; R51-L55 PolarHBondContact O-N 3.28Å; R51-F475 HydrophobicContact CB-CE1 3.85Å; R51-F475 HydrophobicContact CB-CZ 4.35Å; R51-F475 HydrophobicContact CG-CD1 4.14Å; R51-F475 HydrophobicContact CG-CE1 3.63Å; R51-L478 HydrophobicContact CG-CD1 4.06Å |
| 52 | R | 85.8 | Confident | 85.6 | Confident | 141 Ų | 141 | 41.4 Ų | 41.4 | 53% | 0.532 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65 | -45.1 | 176.8 | -68 | -175.4 | -178.6 | -176.4 | 0.4 | 111.2 | M1 K49 L50 L55 C56 | M1-R52 HydrophobicContact CE-CB 4Å; M1-R52 HydrophobicContact SD-CB 4.06Å; K49-R52 PolarHBondContact O-N 3.35Å; L50-R52 PolarHBondContact O-N 3.09Å; R52-L55 WeakPolarHBondContact O-CB 3.45Å; R52-L55 PolarHBondContact O-N 3.37Å; R52-C56 PolarHBondContact O-N 3.5Å; R52-C56 PolarHBondContact O-SG 3.29Å |
| 53 | H | 81.6 | Confident | 85.4 | Confident | 14 Ų | 14 | 42.7 Ų | 42.7 | 7% | 0.065 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 177.9 | 178.7 | 59.5 | 0 | 0 | 0 | 112 | M1 W2 K49 L50 L55 C56 Q57 F520 | M1-H53 VanDerWaalsContact SD-CA 3.59Å; M1-H53 HydrophobicContact SD-CB 3.61Å; W2-H53 AromaticContact CE2-CE1 3.52Å; W2-H53 AromaticContact CE2-NE2 3.73Å; W2-H53 AromaticContact CH2-CD2 3.99Å; W2-H53 AromaticContact CH2-NE2 3.68Å; W2-H53 AromaticContact CZ2-CD2 3.7Å; W2-H53 AromaticContact CZ2-CE1 3.31Å; W2-H53 WeakPolarHBondContact CZ2-CE1 3.19Å; W2-H53 AromaticContact CZ2-NE2 3.04Å; W2-H53 WeakPolarHBondContact CZ2-NE2 3.47Å; W2-H53 AromaticContact NE1-CE1 3.57Å; W2-H53 AromaticContact NE1-ND1 4Å; K49-H53 PolarHBondContact O-N 3.37Å; L50-H53 PolarHBondContact O-N 2.98Å; H53-L55 VanDerWaalsContact C-N 3.32Å; H53-L55 PolarHBondContact O-N 2.98Å; H53-C56 PolarHBondContact O-N 2.89Å; H53-Q57 VanDerWaalsContact NE2-CD 3.31Å; H53-Q57 PolarHBondContact NE2-NE2 2.98Å; H53-Q57 PolarHBondContact O-N 3.43Å; H53-F520 AromaticContact CD2-CE1 3.2Å; H53-F520 WeakPolarHBondContact CD2-CE1 3.28Å; H53-F520 AromaticContact CD2-CZ 3.54Å; H53-F520 AromaticContact NE2-CD1 4Å; H53-F520 AromaticContact NE2-CE1 3.17Å; H53-F520 WeakPolarHBondContact NE2-CE1 3.42Å; H53-F520 AromaticContact NE2-CZ 3.88Å |
| 54 | A | 81.8 | Confident | 85 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.6 | -39.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L50 R51 Q57 A58 R474 L478 | L50-A54 WeakPolarHBondContact O-CB 3.43Å; L50-A54 PolarHBondContact O-N 2.63Å; R51-A54 PolarHBondContact O-N 3.2Å; A54-Q57 PolarHBondContact O-N 2.86Å; A54-A58 WeakPolarHBondContact O-CB 3.42Å; A54-A58 PolarHBondContact O-N 2.92Å; A54-R474 HydrophobicContact CB-CG 3.41Å; A54-R474 VanDerWaalsContact CB-CG 3.41Å; A54-L478 HydrophobicContact CB-CD1 3.59Å |
| 55 | L | 87.4 | Confident | 84.2 | Confident | 76 Ų | 76 | 42 Ų | 42 | 40% | 0.398 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.8 | -48.5 | 175.5 | 179.4 | 63.9 | 0 | 0 | 0 | 110.8 | R51 R52 H53 Q57 A58 V59 I471 | R51-L55 WeakPolarHBondContact O-CB 3.33Å; R51-L55 PolarHBondContact O-N 3.28Å; R52-L55 WeakPolarHBondContact O-CB 3.45Å; R52-L55 PolarHBondContact O-N 3.37Å; H53-L55 VanDerWaalsContact C-N 3.32Å; H53-L55 PolarHBondContact O-N 2.98Å; L55-Q57 VanDerWaalsContact C-N 3.34Å; L55-Q57 PolarHBondContact O-N 3.12Å; L55-A58 PolarHBondContact O-N 2.88Å; L55-V59 WeakPolarHBondContact O-CG2 3.46Å; L55-V59 PolarHBondContact O-N 2.9Å; L55-I471 HydrophobicContact CD1-CD1 3.89Å; L55-I471 HydrophobicContact CD1-CG1 4.02Å |
| 56 | C | 83.6 | Confident | 83.8 | Confident | 71 Ų | 71 | 38.3 Ų | 38.3 | 48% | 0.48 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.6 | -46.9 | 176.9 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | R52 H53 V59 V60 | R52-C56 PolarHBondContact O-N 3.5Å; R52-C56 PolarHBondContact O-SG 3.29Å; H53-C56 PolarHBondContact O-N 2.89Å; C56-V59 PolarHBondContact O-N 2.85Å; C56-V60 WeakPolarHBondContact O-CG2 3.48Å; C56-V60 PolarHBondContact O-N 2.96Å; C56-V60 VanDerWaalsContact O-N 3.16Å |
| 57 | Q | 79.8 | Confident | 83.7 | Confident | 14 Ų | 14 | 40.4 Ų | 40.4 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.1 | -36.9 | 178 | -74.6 | -169 | -24.3 | 0 | 0 | 113.2 | H53 A54 L55 V59 V60 I61 F520 | H53-Q57 VanDerWaalsContact NE2-CD 3.31Å; H53-Q57 PolarHBondContact NE2-NE2 2.98Å; H53-Q57 PolarHBondContact O-N 3.43Å; A54-Q57 PolarHBondContact O-N 2.86Å; L55-Q57 VanDerWaalsContact C-N 3.34Å; L55-Q57 PolarHBondContact O-N 3.12Å; Q57-V59 VanDerWaalsContact C-N 3.31Å; Q57-V59 PolarHBondContact O-N 3.25Å; Q57-V60 PolarHBondContact O-N 2.96Å; Q57-I61 WeakPolarHBondContact O-CB 3.48Å; Q57-I61 VanDerWaalsContact O-CG1 3.28Å; Q57-I61 WeakPolarHBondContact O-CG1 3.41Å; Q57-I61 PolarHBondContact O-N 2.84Å; Q57-F520 VanDerWaalsContact OE1-CE1 3.23Å |
| 58 | A | 84.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A54 L55 G62 A470 I471 R474 | A54-A58 WeakPolarHBondContact O-CB 3.42Å; A54-A58 PolarHBondContact O-N 2.92Å; L55-A58 PolarHBondContact O-N 2.88Å; A58-G62 PolarHBondContact O-N 3.42Å; A58-A470 HydrophobicContact CB-CB 4.17Å; A58-A470 WeakPolarHBondContact O-CB 3.48Å; A58-I471 HydrophobicContact CB-CB 4.46Å; A58-I471 HydrophobicContact CB-CG1 3.79Å; A58-R474 HydrophobicContact CB-CB 4.28Å |
| 59 | V | 86.7 | Confident | 83.4 | Confident | 64 Ų | 64 | 36.5 Ų | 36.5 | 39% | 0.388 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.5 | -47.8 | 175 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | L55 C56 Q57 I61 G62 S63 V467 | L55-V59 WeakPolarHBondContact O-CG2 3.46Å; L55-V59 PolarHBondContact O-N 2.9Å; C56-V59 PolarHBondContact O-N 2.85Å; Q57-V59 VanDerWaalsContact C-N 3.31Å; Q57-V59 PolarHBondContact O-N 3.25Å; V59-I61 PolarHBondContact O-N 3.25Å; V59-G62 PolarHBondContact O-N 3.06Å; V59-S63 WeakPolarHBondContact O-CB 3.42Å; V59-S63 PolarHBondContact O-N 3.45Å; V59-S63 PolarHBondContact O-OG 2.92Å; V59-V467 HydrophobicContact CG2-CG1 4.2Å |
| 60 | V | 83.1 | Confident | 83.5 | Confident | 51 Ų | 51 | 38.1 Ų | 38.1 | 31% | 0.309 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 178.3 | 173.3 | 0 | 0 | 0 | 0 | 112 | C56 Q57 S63 Y64 P110 | C56-V60 WeakPolarHBondContact O-CG2 3.48Å; C56-V60 PolarHBondContact O-N 2.96Å; C56-V60 VanDerWaalsContact O-N 3.16Å; Q57-V60 PolarHBondContact O-N 2.96Å; V60-S63 PolarHBondContact O-OG 3.32Å; V60-S63 VanDerWaalsContact O-OG 3.05Å; V60-Y64 PolarHBondContact O-N 2.78Å; V60-P110 HydrophobicContact CG1-CB 4.43Å |
| 61 | I | 80.4 | Confident | 83.6 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.7 | -37.8 | 178.9 | -67 | 169.6 | 0 | 0 | 0 | 111 | Q57 V59 Y64 N523 | Q57-I61 WeakPolarHBondContact O-CB 3.48Å; Q57-I61 VanDerWaalsContact O-CG1 3.28Å; Q57-I61 WeakPolarHBondContact O-CG1 3.41Å; Q57-I61 PolarHBondContact O-N 2.84Å; V59-I61 PolarHBondContact O-N 3.25Å; I61-Y64 WeakPolarHBondContact O-CB 3.37Å; I61-N523 HydrophobicContact CD1-CB 4.07Å |
| 62 | G | 82.8 | Confident | 83.6 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.7 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A58 V59 Y64 S466 | A58-G62 PolarHBondContact O-N 3.42Å; V59-G62 PolarHBondContact O-N 3.06Å; G62-Y64 VanDerWaalsContact C-N 3.34Å; G62-Y64 PolarHBondContact O-N 3.47Å; G62-S466 WeakPolarHBondContact O-CB 3.46Å; G62-S466 PolarHBondContact O-OG 2.93Å |
| 63 | S | 84.4 | Confident | 83.6 | Confident | 37 Ų | 37 | 28.5 Ų | 28.5 | 26% | 0.259 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -70.8 | -28.2 | -179.8 | 65.8 | 0 | 0 | 0 | 0 | 113.2 | V59 V60 Y65 V66 T67 | V59-S63 WeakPolarHBondContact O-CB 3.42Å; V59-S63 PolarHBondContact O-N 3.45Å; V59-S63 PolarHBondContact O-OG 2.92Å; V60-S63 PolarHBondContact O-OG 3.32Å; V60-S63 VanDerWaalsContact O-OG 3.05Å; S63-Y65 PolarHBondContact O-N 3.32Å; S63-V66 PolarHBondContact O-N 3Å; S63-T67 PolarHBondContact O-N 3.05Å; S63-T67 PolarHBondContact O-OG1 3.02Å |
| 64 | Y | 82.3 | Confident | 83.9 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -50.8 | -33.5 | 179.8 | 174.2 | -97.2 | 0 | 0 | 0 | 114.6 | V60 I61 G62 V66 R102 L107 R527 | V60-Y64 PolarHBondContact O-N 2.78Å; I61-Y64 WeakPolarHBondContact O-CB 3.37Å; G62-Y64 VanDerWaalsContact C-N 3.34Å; G62-Y64 PolarHBondContact O-N 3.47Å; Y64-V66 PolarHBondContact O-N 2.68Å; Y64-R102 HydrophobicContact CD2-CG 4.45Å; Y64-R102 HydrophobicContact CE2-CG 4.11Å; Y64-R102 WeakPolarHBondContact O-CD 3.34Å; Y64-R102 PolarHBondContact O-NH1 3.46Å; Y64-R102 PolarHBondContact OH-NH1 3.42Å; Y64-R102 PolarHBondContact OH-NH2 3.35Å; Y64-L107 HydrophobicContact CD2-CB 4.3Å; Y64-L107 HydrophobicContact CE2-CB 4.05Å; Y64-R527 VanDerWaalsContact CD1-CZ 3.43Å; Y64-R527 PolarHBondContact OH-NH2 3.42Å |
| 65 | Y | 73.9 | Confident | 84.1 | Confident | 26 Ų | 26 | 31.7 Ų | 31.7 | 10% | 0.102 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.6 | -19.8 | 179.5 | -76.5 | -82.2 | 0 | 0 | 0 | 113.6 | S63 R69 Y406 | S63-Y65 PolarHBondContact O-N 3.32Å; Y65-R69 PolarHBondContact O-NH1 3.07Å; Y65-R69 VanDerWaalsContact O-NH1 3.15Å; Y65-Y406 AromaticContact CD1-CD2 3.88Å; Y65-Y406 HydrophobicContact CD1-CD2 3.88Å; Y65-Y406 AromaticContact CD1-CE2 3.97Å; Y65-Y406 HydrophobicContact CD1-CE2 3.97Å; Y65-Y406 WeakPolarHBondContact O-CE2 3.28Å |
| 66 | V | 83.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -113.2 | -22.7 | -171.1 | -164.3 | 0 | 0 | 0 | 0 | 111.6 | S63 Y64 G68 R69 I70 I459 L462 L463 | S63-V66 PolarHBondContact O-N 3Å; Y64-V66 PolarHBondContact O-N 2.68Å; V66-G68 VanDerWaalsContact C-N 3.3Å; V66-G68 PolarHBondContact O-N 3.22Å; V66-G68 VanDerWaalsContact O-N 3.16Å; V66-R69 WeakPolarHBondContact O-CA 3.49Å; V66-R69 PolarHBondContact O-N 2.91Å; V66-I70 HydrophobicContact CB-CD1 4.18Å; V66-I70 HydrophobicContact CG1-CD1 3.67Å; V66-I70 HydrophobicContact CG1-CG1 3.87Å; V66-I70 PolarHBondContact O-N 2.71Å; V66-I459 HydrophobicContact CG1-CB 4.46Å; V66-I459 HydrophobicContact CG1-CG2 3.35Å; V66-L462 HydrophobicContact CG2-CB 4.34Å; V66-L462 HydrophobicContact CG2-CD2 4.12Å; V66-L462 HydrophobicContact CG2-CG 3.91Å; V66-L463 HydrophobicContact CB-CB 4.31Å; V66-L463 HydrophobicContact CB-CD1 4.15Å; V66-L463 HydrophobicContact CG1-CB 4.17Å; V66-L463 HydrophobicContact CG2-CB 3.96Å; V66-L463 HydrophobicContact CG2-CD1 4.15Å |
| 67 | T | 85.6 | Confident | 83.8 | Confident | 48 Ų | 48 | 27 Ų | 27 | 29% | 0.294 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -52.2 | -43.7 | -177.2 | -46.3 | 0 | 0 | 0 | 0 | 113.8 | S63 R69 I70 A71 S106 | S63-T67 PolarHBondContact O-N 3.05Å; S63-T67 PolarHBondContact O-OG1 3.02Å; T67-R69 VanDerWaalsContact C-N 3.31Å; T67-R69 PolarHBondContact O-N 2.96Å; T67-I70 PolarHBondContact O-N 3.13Å; T67-A71 WeakPolarHBondContact O-CB 3.39Å; T67-A71 PolarHBondContact O-N 3.49Å; T67-S106 WeakPolarHBondContact CB-OG 3.14Å; T67-S106 WeakPolarHBondContact CG2-OG 3.49Å |
| 68 | G | 83.4 | Confident | 84.1 | Confident | 13 Ų | 13 | 29 Ų | 29 | 13% | 0.134 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65 | -34.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V66 L72 | V66-G68 VanDerWaalsContact C-N 3.3Å; V66-G68 PolarHBondContact O-N 3.22Å; V66-G68 VanDerWaalsContact O-N 3.16Å; G68-L72 WeakPolarHBondContact O-CB 3.4Å; G68-L72 PolarHBondContact O-N 3.04Å |
| 69 | R | 83.6 | Confident | 83.9 | Confident | 13 Ų | 13 | 32.2 Ų | 32.2 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -77.3 | -36.6 | 177.8 | -64.1 | -162.2 | -175.6 | 86.4 | -2.2 | 112.5 | Y65 V66 T67 A71 L72 L73 Y406 D410 W455 I459 L462 | Y65-R69 PolarHBondContact O-NH1 3.07Å; Y65-R69 VanDerWaalsContact O-NH1 3.15Å; V66-R69 WeakPolarHBondContact O-CA 3.49Å; V66-R69 PolarHBondContact O-N 2.91Å; T67-R69 VanDerWaalsContact C-N 3.31Å; T67-R69 PolarHBondContact O-N 2.96Å; R69-A71 VanDerWaalsContact C-N 3.3Å; R69-L72 PolarHBondContact O-N 3.36Å; R69-L73 VanDerWaalsContact O-CB 3.24Å; R69-L73 WeakPolarHBondContact O-CB 3.11Å; R69-L73 PolarHBondContact O-N 2.91Å; R69-Y406 VanDerWaalsContact CZ-CE2 3.45Å; R69-Y406 VanDerWaalsContact NH2-CD2 3.27Å; R69-Y406 VanDerWaalsContact NH2-CG 3.26Å; R69-Y406 PolarHBondContact NH2-O 2.81Å; R69-D410 IonicContact CZ-OD1 3.97Å; R69-D410 IonicContact NE-OD1 3.17Å; R69-D410 PolarHBondContact NE-OD1 3.32Å; R69-D410 VanDerWaalsContact NE-OD1 3.13Å; R69-D410 IonicContact NH2-OD1 3.34Å; R69-D410 PolarHBondContact NH2-OD1 3.4Å; R69-D410 IonicContact NH2-OD2 3.07Å; R69-D410 PolarHBondContact NH2-OD2 3.49Å; R69-W455 HydrophobicContact CB-CZ2 4.47Å; R69-I459 HydrophobicContact CB-CD1 3.85Å; R69-I459 HydrophobicContact CB-CG1 4.02Å; R69-I459 HydrophobicContact CB-CG2 4.43Å; R69-L462 VanDerWaalsContact NH1-CD2 3.32Å |
| 70 | I | 87.3 | Confident | 83.5 | Confident | 84 Ų | 84 | 32.1 Ų | 32.1 | 43% | 0.431 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 172.9 | -69.7 | 160 | 0 | 0 | 0 | 110 | V66 T67 L73 G74 I459 | V66-I70 HydrophobicContact CB-CD1 4.18Å; V66-I70 HydrophobicContact CG1-CD1 3.67Å; V66-I70 HydrophobicContact CG1-CG1 3.87Å; V66-I70 PolarHBondContact O-N 2.71Å; T67-I70 PolarHBondContact O-N 3.13Å; I70-L73 PolarHBondContact O-N 3.39Å; I70-G74 PolarHBondContact O-N 3.04Å; I70-I459 HydrophobicContact CG1-CG2 3.84Å |
| 71 | A | 87.9 | Confident | 83.4 | Confident | 37 Ų | 37 | 36.7 Ų | 36.7 | 31% | 0.306 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.6 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T67 R69 G74 A75 F98 | T67-A71 WeakPolarHBondContact O-CB 3.39Å; T67-A71 PolarHBondContact O-N 3.49Å; R69-A71 VanDerWaalsContact C-N 3.3Å; A71-G74 PolarHBondContact O-N 3.45Å; A71-A75 PolarHBondContact O-N 3.32Å; A71-F98 HydrophobicContact CB-CD1 3.63Å; A71-F98 HydrophobicContact CB-CE1 3.93Å; A71-F98 HydrophobicContact CB-CG 4Å |
| 72 | L | 86.8 | Confident | 83.6 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.5 | -178.1 | 62.4 | 0 | 0 | 0 | 112 | G68 R69 G74 A75 L76 A95 F98 L413 W455 | G68-L72 WeakPolarHBondContact O-CB 3.4Å; G68-L72 PolarHBondContact O-N 3.04Å; R69-L72 PolarHBondContact O-N 3.36Å; L72-G74 PolarHBondContact O-N 3.3Å; L72-A75 PolarHBondContact O-N 2.89Å; L72-L76 HydrophobicContact CD1-CD1 4.14Å; L72-L76 HydrophobicContact CD1-CG 4.11Å; L72-L76 HydrophobicContact CG-CD1 3.95Å; L72-L76 HydrophobicContact CG-CG 4.32Å; L72-L76 WeakPolarHBondContact O-CB 3.33Å; L72-L76 WeakPolarHBondContact O-CG 3.45Å; L72-L76 PolarHBondContact O-N 2.74Å; L72-A95 HydrophobicContact CD2-CB 3.85Å; L72-F98 HydrophobicContact CB-CD2 4.17Å; L72-F98 HydrophobicContact CD1-CD2 4.15Å; L72-F98 HydrophobicContact CD1-CE2 4.46Å; L72-L413 HydrophobicContact CD2-CD2 4.07Å; L72-W455 HydrophobicContact CB-CH2 4.22Å; L72-W455 HydrophobicContact CD2-CH2 3.85Å; L72-W455 HydrophobicContact CD2-CZ2 4.22Å; L72-W455 HydrophobicContact CG-CH2 3.97Å |
| 73 | L | 86.7 | Confident | 83.2 | Confident | 29 Ų | 29 | 47.9 Ų | 47.9 | 15% | 0.152 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.8 | 178.8 | 69.7 | 0 | 0 | 0 | 111.5 | R69 I70 A75 L76 A77 L452 W455 T456 I459 | R69-L73 VanDerWaalsContact O-CB 3.24Å; R69-L73 WeakPolarHBondContact O-CB 3.11Å; R69-L73 PolarHBondContact O-N 2.91Å; I70-L73 PolarHBondContact O-N 3.39Å; L73-A75 VanDerWaalsContact C-N 3.34Å; L73-A75 PolarHBondContact O-N 3.47Å; L73-L76 PolarHBondContact O-N 3.15Å; L73-A77 WeakPolarHBondContact O-CB 3.27Å; L73-A77 PolarHBondContact O-N 3.16Å; L73-L452 HydrophobicContact CD1-CD1 3.6Å; L73-L452 HydrophobicContact CD1-CG 4.18Å; L73-W455 HydrophobicContact CB-CE3 4.44Å; L73-W455 HydrophobicContact CB-CH2 4.3Å; L73-W455 HydrophobicContact CB-CZ3 3.68Å; L73-W455 HydrophobicContact CD1-CE3 3.63Å; L73-W455 HydrophobicContact CD1-CZ3 3.61Å; L73-W455 HydrophobicContact CG-CZ3 4.26Å; L73-T456 WeakPolarHBondContact CD1-OG1 3.2Å; L73-T456 HydrophobicContact CD2-CG2 3.89Å; L73-I459 HydrophobicContact CB-CD1 4.27Å; L73-I459 HydrophobicContact CD2-CD1 4.32Å |
| 74 | G | 87.2 | Confident | 82.6 | Confident | 43 Ų | 43 | 52.3 Ų | 52.3 | 44% | 0.443 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I70 A71 L72 A78 | I70-G74 PolarHBondContact O-N 3.04Å; A71-G74 PolarHBondContact O-N 3.45Å; L72-G74 PolarHBondContact O-N 3.3Å; G74-A78 WeakPolarHBondContact O-CB 3.3Å; G74-A78 PolarHBondContact O-N 3.37Å |
| 75 | A | 86.4 | Confident | 81.8 | Confident | 39 Ų | 39 | 56 Ų | 56 | 32% | 0.322 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A71 L72 L73 A78 Y79 F98 | A71-A75 PolarHBondContact O-N 3.32Å; L72-A75 PolarHBondContact O-N 2.89Å; L73-A75 VanDerWaalsContact C-N 3.34Å; L73-A75 PolarHBondContact O-N 3.47Å; A75-A78 PolarHBondContact O-N 3.48Å; A75-Y79 WeakPolarHBondContact O-CB 3.07Å; A75-Y79 PolarHBondContact O-N 3.39Å; A75-F98 HydrophobicContact CB-CE2 3.59Å; A75-F98 HydrophobicContact CB-CZ 3.8Å |
| 76 | L | 82.7 | Confident | 81.6 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 177.4 | -68.4 | 176.2 | 0 | 0 | 0 | 111.5 | L72 L73 A78 Y79 V80 V86 V91 W455 | L72-L76 HydrophobicContact CD1-CD1 4.14Å; L72-L76 HydrophobicContact CD1-CG 4.11Å; L72-L76 HydrophobicContact CG-CD1 3.95Å; L72-L76 HydrophobicContact CG-CG 4.32Å; L72-L76 WeakPolarHBondContact O-CB 3.33Å; L72-L76 WeakPolarHBondContact O-CG 3.45Å; L72-L76 PolarHBondContact O-N 2.74Å; L73-L76 PolarHBondContact O-N 3.15Å; L76-A78 PolarHBondContact O-N 3.3Å; L76-Y79 PolarHBondContact O-N 3.35Å; L76-V80 VanDerWaalsContact O-CG2 3.28Å; L76-V80 WeakPolarHBondContact O-CG2 3.33Å; L76-V80 PolarHBondContact O-N 3.15Å; L76-V86 HydrophobicContact CD2-CG1 3.97Å; L76-V91 HydrophobicContact CD2-CG2 3.88Å; L76-W455 HydrophobicContact CD1-CZ3 4.27Å |
| 77 | A | 81.8 | Confident | 80.9 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 30% | 0.298 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L73 Y79 V80 L81 | L73-A77 WeakPolarHBondContact O-CB 3.27Å; L73-A77 PolarHBondContact O-N 3.16Å; A77-Y79 VanDerWaalsContact C-N 3.33Å; A77-Y79 PolarHBondContact O-N 3.5Å; A77-V80 PolarHBondContact O-N 2.73Å; A77-L81 VanDerWaalsContact O-CG 3.32Å; A77-L81 WeakPolarHBondContact O-CG 3.45Å; A77-L81 PolarHBondContact O-N 3.19Å; A77-L81 VanDerWaalsContact O-N 3.09Å |
| 78 | A | 84.7 | Confident | 80 | Confident | 55 Ų | 55 | 59 Ų | 59 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G74 A75 L76 L81 T82 | G74-A78 WeakPolarHBondContact O-CB 3.3Å; G74-A78 PolarHBondContact O-N 3.37Å; A75-A78 PolarHBondContact O-N 3.48Å; L76-A78 PolarHBondContact O-N 3.3Å; A78-L81 PolarHBondContact O-N 3.08Å; A78-T82 PolarHBondContact O-N 2.83Å |
| 79 | Y | 81.4 | Confident | 79.3 | Confident | 67 Ų | 67 | 65.2 Ų | 65.2 | 26% | 0.263 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 178.4 | -162.4 | -93 | 0 | 0 | 0 | 112 | A75 L76 A77 L81 T82 K84 A85 V86 V90 | A75-Y79 WeakPolarHBondContact O-CB 3.07Å; A75-Y79 PolarHBondContact O-N 3.39Å; L76-Y79 PolarHBondContact O-N 3.35Å; A77-Y79 VanDerWaalsContact C-N 3.33Å; A77-Y79 PolarHBondContact O-N 3.5Å; Y79-L81 VanDerWaalsContact C-N 3.32Å; Y79-L81 PolarHBondContact O-N 2.81Å; Y79-T82 PolarHBondContact O-N 3.29Å; Y79-T82 VanDerWaalsContact O-N 3.1Å; Y79-T82 PolarHBondContact O-OG1 2.89Å; Y79-K84 HydrophobicContact CD1-CB 4.1Å; Y79-K84 HydrophobicContact CE1-CB 3.48Å; Y79-K84 VanDerWaalsContact CE1-CB 3.48Å; Y79-K84 HydrophobicContact CE2-CB 4.44Å; Y79-K84 HydrophobicContact CE2-CD 4.18Å; Y79-A85 WeakPolarHBondContact CE1-O 3.45Å; Y79-V86 HydrophobicContact CD1-CG2 3.87Å; Y79-V86 HydrophobicContact CE1-CG2 4.46Å; Y79-V90 HydrophobicContact CE2-CG1 4.49Å |
| 80 | V | 77.1 | Confident | 79 | Confident | 63 Ų | 63 | 67.2 Ų | 67.2 | 38% | 0.382 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 175.6 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | L76 A77 T82 N83 V86 | L76-V80 VanDerWaalsContact O-CG2 3.28Å; L76-V80 WeakPolarHBondContact O-CG2 3.33Å; L76-V80 PolarHBondContact O-N 3.15Å; A77-V80 PolarHBondContact O-N 2.73Å; V80-T82 PolarHBondContact O-N 3.47Å; V80-T82 VanDerWaalsContact O-N 3.17Å; V80-N83 PolarHBondContact O-N 3.15Å; V80-V86 HydrophobicContact CG2-CG2 3.67Å |
| 81 | L | 82.1 | Confident | 78.4 | Confident | 147 Ų | 147 | 63.7 Ų | 63.7 | 77% | 0.77 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63 | -19.6 | 176 | -71.4 | 170.6 | 0 | 0 | 0 | 113.7 | A77 A78 Y79 N83 | A77-L81 VanDerWaalsContact O-CG 3.32Å; A77-L81 WeakPolarHBondContact O-CG 3.45Å; A77-L81 PolarHBondContact O-N 3.19Å; A77-L81 VanDerWaalsContact O-N 3.09Å; A78-L81 PolarHBondContact O-N 3.08Å; Y79-L81 VanDerWaalsContact C-N 3.32Å; Y79-L81 PolarHBondContact O-N 2.81Å; L81-N83 VanDerWaalsContact C-N 3.29Å |
| 82 | T | 84.5 | Confident | 77.7 | Confident | 85 Ų | 85 | 64.2 Ų | 64.2 | 52% | 0.521 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 7.3 | 175.3 | 66.6 | 0 | 0 | 0 | 0 | 114.1 | A78 Y79 V80 K84 | A78-T82 PolarHBondContact O-N 2.83Å; Y79-T82 PolarHBondContact O-N 3.29Å; Y79-T82 VanDerWaalsContact O-N 3.1Å; Y79-T82 PolarHBondContact O-OG1 2.89Å; V80-T82 PolarHBondContact O-N 3.47Å; V80-T82 VanDerWaalsContact O-N 3.17Å; T82-K84 PolarHBondContact O-N 3.43Å; T82-K84 VanDerWaalsContact O-N 3.16Å |
| 83 | N | 73.9 | Confident | 77.3 | Confident | 158 Ų | 158 | 67.4 Ų | 67.4 | 85% | 0.845 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 25 | -176.1 | -74.3 | -24.2 | 0 | 0 | 0 | 114.4 | V80 L81 | V80-N83 PolarHBondContact O-N 3.15Å; L81-N83 VanDerWaalsContact C-N 3.29Å |
| 84 | K | 71.1 | Confident | 77 | Confident | 130 Ų | 130 | 66.7 Ų | 66.7 | 57% | 0.565 | 40% | 0.397 | S | S | * | . | trans | -90.2 | 139.6 | 173.1 | -71.5 | -177.3 | 178.7 | -179.1 | 0 | 110.6 | Y79 T82 V86 | Y79-K84 HydrophobicContact CD1-CB 4.1Å; Y79-K84 HydrophobicContact CE1-CB 3.48Å; Y79-K84 VanDerWaalsContact CE1-CB 3.48Å; Y79-K84 HydrophobicContact CE2-CB 4.44Å; Y79-K84 HydrophobicContact CE2-CD 4.18Å; T82-K84 PolarHBondContact O-N 3.43Å; T82-K84 VanDerWaalsContact O-N 3.16Å; K84-V86 PolarHBondContact O-N 2.98Å | ||
| 85 | A | 67 | Low | 76.5 | Confident | 81 Ų | 81 | 65.6 Ų | 65.6 | 67% | 0.669 | 38% | 0.384 | S | S | * | . | trans | -64.1 | 120.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110 | Y79 T87 | Y79-A85 WeakPolarHBondContact CE1-O 3.45Å; A85-T87 PolarHBondContact O-N 3.44Å; A85-T87 VanDerWaalsContact O-N 3.08Å | ||
| 86 | V | 68.1 | Low | 76.1 | Confident | 41 Ų | 41 | 66 Ų | 66 | 25% | 0.248 | 39% | 0.388 | C | S | . | . | trans | -67.5 | 104.9 | 173.9 | 177.8 | 0 | 0 | 0 | 0 | 107.9 | L76 Y79 V80 K84 V91 | L76-V86 HydrophobicContact CD2-CG1 3.97Å; Y79-V86 HydrophobicContact CD1-CG2 3.87Å; Y79-V86 HydrophobicContact CE1-CG2 4.46Å; V80-V86 HydrophobicContact CG2-CG2 3.67Å; K84-V86 PolarHBondContact O-N 2.98Å; V86-V91 HydrophobicContact CG1-CG2 3.42Å; V86-V91 VanDerWaalsContact CG1-CG2 3.42Å | ||
| 87 | T | 69.7 | Low | 76.2 | Confident | 63 Ų | 63 | 71.6 Ų | 71.6 | 39% | 0.387 | 42% | 0.415 | S | S | . | . | trans | -85.8 | 153.1 | 174.9 | 63.4 | 0 | 0 | 0 | 0 | 110.4 | A85 E89 V90 V91 | A85-T87 PolarHBondContact O-N 3.44Å; A85-T87 VanDerWaalsContact O-N 3.08Å; T87-E89 PolarHBondContact O-N 3.5Å; T87-V90 PolarHBondContact O-N 2.92Å; T87-V90 VanDerWaalsContact O-N 3.15Å; T87-V90 WeakPolarHBondContact OG1-CG2 3.49Å; T87-V91 PolarHBondContact O-N 3.33Å | ||
| 88 | S | 65.6 | Low | 76.4 | Confident | 32 Ų | 32 | 73.2 Ų | 73.2 | 22% | 0.224 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -52.3 | -40.2 | 174.2 | 49.2 | 0 | 0 | 0 | 0 | 114.4 | V90 V91 F92 E417 K421 | S88-V90 VanDerWaalsContact C-N 3.31Å; S88-V90 PolarHBondContact O-N 3.29Å; S88-V91 PolarHBondContact O-N 3.16Å; S88-F92 WeakPolarHBondContact O-CD2 3.31Å; S88-F92 PolarHBondContact O-N 3.31Å; S88-E417 VanDerWaalsContact CA-CD 3.5Å; S88-E417 VanDerWaalsContact CA-OE2 3.3Å; S88-E417 WeakPolarHBondContact CA-OE2 3.5Å; S88-E417 WeakPolarHBondContact CB-OE1 3.41Å; S88-E417 WeakPolarHBondContact CB-OE2 3.21Å; S88-K421 WeakPolarHBondContact OG-CE 3.47Å; S88-K421 PolarHBondContact OG-NZ 3.04Å; S88-K421 VanDerWaalsContact OG-NZ 3.09Å |
| 89 | E | 70.1 | Confident | 76 | Confident | 145 Ų | 145 | 72 Ų | 72 | 68% | 0.678 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.5 | -44.3 | -178.9 | -173.4 | -179.9 | 176.3 | 0 | 0 | 110.1 | T87 V91 V93 | T87-E89 PolarHBondContact O-N 3.5Å; E89-V91 PolarHBondContact O-N 3.25Å; E89-V93 HydrophobicContact CG-CG2 4.18Å; E89-V93 WeakPolarHBondContact O-CB 3.43Å; E89-V93 WeakPolarHBondContact O-CG2 3.49Å; E89-V93 PolarHBondContact O-N 3.5Å |
| 90 | V | 76.4 | Confident | 75.8 | Confident | 54 Ų | 54 | 72 Ų | 72 | 33% | 0.327 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 178.8 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | Y79 T87 S88 G94 | Y79-V90 HydrophobicContact CE2-CG1 4.49Å; T87-V90 PolarHBondContact O-N 2.92Å; T87-V90 VanDerWaalsContact O-N 3.15Å; T87-V90 WeakPolarHBondContact OG1-CG2 3.49Å; S88-V90 VanDerWaalsContact C-N 3.31Å; S88-V90 PolarHBondContact O-N 3.29Å; V90-G94 WeakPolarHBondContact O-CA 3.27Å; V90-G94 PolarHBondContact O-N 3.19Å |
| 91 | V | 75.8 | Confident | 76.2 | Confident | 11 Ų | 11 | 70.9 Ų | 70.9 | 7% | 0.067 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.6 | -51.4 | 179.8 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | L76 V86 T87 S88 E89 G94 A95 L413 | L76-V91 HydrophobicContact CD2-CG2 3.88Å; V86-V91 HydrophobicContact CG1-CG2 3.42Å; V86-V91 VanDerWaalsContact CG1-CG2 3.42Å; T87-V91 PolarHBondContact O-N 3.33Å; S88-V91 PolarHBondContact O-N 3.16Å; E89-V91 PolarHBondContact O-N 3.25Å; V91-G94 PolarHBondContact O-N 2.97Å; V91-A95 VanDerWaalsContact O-CB 3.24Å; V91-A95 WeakPolarHBondContact O-CB 3.33Å; V91-A95 PolarHBondContact O-N 3.15Å; V91-L413 HydrophobicContact CG1-CD1 3.95Å; V91-L413 HydrophobicContact CG1-CD2 3.77Å; V91-L413 HydrophobicContact CG1-CG 3.95Å |
| 92 | F | 71.5 | Confident | 76.3 | Confident | 47 Ų | 47 | 64.5 Ų | 64.5 | 21% | 0.206 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74 | -39.6 | -176.6 | -79.5 | -65.2 | 0 | 0 | 0 | 113.3 | S88 G94 A95 A96 E417 | S88-F92 WeakPolarHBondContact O-CD2 3.31Å; S88-F92 PolarHBondContact O-N 3.31Å; F92-G94 VanDerWaalsContact C-N 3.33Å; F92-A95 PolarHBondContact O-N 2.97Å; F92-A96 VanDerWaalsContact O-CB 3.31Å; F92-A96 WeakPolarHBondContact O-CB 3.31Å; F92-A96 PolarHBondContact O-N 3.38Å; F92-E417 VanDerWaalsContact CD2-OE2 3.27Å; F92-E417 WeakPolarHBondContact CD2-OE2 3.4Å; F92-E417 VanDerWaalsContact CE2-CD 3.44Å; F92-E417 WeakPolarHBondContact CE2-OE1 3.47Å; F92-E417 WeakPolarHBondContact CE2-OE2 3.45Å |
| 93 | V | 79.1 | Confident | 75.9 | Confident | 75 Ų | 75 | 63.4 Ų | 63.4 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 173.3 | 174.2 | 0 | 0 | 0 | 0 | 109.5 | E89 A96 M97 | E89-V93 HydrophobicContact CG-CG2 4.18Å; E89-V93 WeakPolarHBondContact O-CB 3.43Å; E89-V93 WeakPolarHBondContact O-CG2 3.49Å; E89-V93 PolarHBondContact O-N 3.5Å; V93-A96 PolarHBondContact O-N 3.43Å; V93-M97 HydrophobicContact CG1-CG 4.31Å; V93-M97 HydrophobicContact CG1-SD 3.92Å; V93-M97 WeakPolarHBondContact O-CB 3.02Å; V93-M97 VanDerWaalsContact O-CG 3.25Å; V93-M97 WeakPolarHBondContact O-CG 3.09Å; V93-M97 PolarHBondContact O-N 2.95Å |
| 94 | G | 80.9 | Confident | 76.4 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 14% | 0.144 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59 | -48.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V90 V91 F92 A96 M97 F98 | V90-G94 WeakPolarHBondContact O-CA 3.27Å; V90-G94 PolarHBondContact O-N 3.19Å; V91-G94 PolarHBondContact O-N 2.97Å; F92-G94 VanDerWaalsContact C-N 3.33Å; G94-A96 VanDerWaalsContact C-N 3.35Å; G94-A96 PolarHBondContact O-N 3.18Å; G94-M97 PolarHBondContact O-N 2.92Å; G94-F98 WeakPolarHBondContact O-CB 3.02Å; G94-F98 WeakPolarHBondContact O-CD2 3.43Å; G94-F98 PolarHBondContact O-N 3.02Å |
| 95 | A | 77.4 | Confident | 77.2 | Confident | 21 Ų | 21 | 58.7 Ų | 58.7 | 17% | 0.174 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L72 V91 F92 N99 | L72-A95 HydrophobicContact CD2-CB 3.85Å; V91-A95 VanDerWaalsContact O-CB 3.24Å; V91-A95 WeakPolarHBondContact O-CB 3.33Å; V91-A95 PolarHBondContact O-N 3.15Å; F92-A95 PolarHBondContact O-N 2.97Å; A95-N99 WeakPolarHBondContact O-CB 3.28Å; A95-N99 PolarHBondContact O-N 3.45Å |
| 96 | A | 77.3 | Confident | 77.8 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 40% | 0.397 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F92 V93 G94 N99 A100 | F92-A96 VanDerWaalsContact O-CB 3.31Å; F92-A96 WeakPolarHBondContact O-CB 3.31Å; F92-A96 PolarHBondContact O-N 3.38Å; V93-A96 PolarHBondContact O-N 3.43Å; G94-A96 VanDerWaalsContact C-N 3.35Å; G94-A96 PolarHBondContact O-N 3.18Å; A96-N99 PolarHBondContact O-N 3.46Å; A96-A100 WeakPolarHBondContact O-CB 3.31Å; A96-A100 PolarHBondContact O-N 3.1Å |
| 97 | M | 84.4 | Confident | 78.2 | Confident | 130 Ų | 130 | 54 Ų | 54 | 64% | 0.64 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.3 | -47.8 | 178.2 | -71.2 | -178.3 | 80.3 | 0 | 0 | 112 | V93 G94 N99 A100 A101 | V93-M97 HydrophobicContact CG1-CG 4.31Å; V93-M97 HydrophobicContact CG1-SD 3.92Å; V93-M97 WeakPolarHBondContact O-CB 3.02Å; V93-M97 VanDerWaalsContact O-CG 3.25Å; V93-M97 WeakPolarHBondContact O-CG 3.09Å; V93-M97 PolarHBondContact O-N 2.95Å; G94-M97 PolarHBondContact O-N 2.92Å; M97-N99 PolarHBondContact O-N 3.46Å; M97-A100 PolarHBondContact O-N 2.94Å; M97-A101 WeakPolarHBondContact O-CB 3.48Å; M97-A101 PolarHBondContact O-N 3.49Å |
| 98 | F | 85.8 | Confident | 78.9 | Confident | 70 Ų | 70 | 56.6 Ų | 56.6 | 31% | 0.307 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.9 | -36.1 | 177.7 | -73.8 | -57.4 | 0 | 0 | 0 | 112.2 | A71 L72 A75 G94 A101 R102 | A71-F98 HydrophobicContact CB-CD1 3.63Å; A71-F98 HydrophobicContact CB-CE1 3.93Å; A71-F98 HydrophobicContact CB-CG 4Å; L72-F98 HydrophobicContact CB-CD2 4.17Å; L72-F98 HydrophobicContact CD1-CD2 4.15Å; L72-F98 HydrophobicContact CD1-CE2 4.46Å; A75-F98 HydrophobicContact CB-CE2 3.59Å; A75-F98 HydrophobicContact CB-CZ 3.8Å; G94-F98 WeakPolarHBondContact O-CB 3.02Å; G94-F98 WeakPolarHBondContact O-CD2 3.43Å; G94-F98 PolarHBondContact O-N 3.02Å; F98-A101 PolarHBondContact O-N 3.43Å; F98-R102 WeakPolarHBondContact O-CB 3.3Å; F98-R102 PolarHBondContact O-N 3.41Å |
| 99 | N | 76.4 | Confident | 79.9 | Confident | 31 Ų | 31 | 59.6 Ų | 59.6 | 17% | 0.166 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 174.6 | -174.8 | 46.8 | 0 | 0 | 0 | 112.2 | A95 A96 M97 R102 F587 | A95-N99 WeakPolarHBondContact O-CB 3.28Å; A95-N99 PolarHBondContact O-N 3.45Å; A96-N99 PolarHBondContact O-N 3.46Å; M97-N99 PolarHBondContact O-N 3.46Å; N99-R102 PolarHBondContact OD1-NE 3.16Å; N99-R102 VanDerWaalsContact OD1-NE 3.15Å; N99-R102 PolarHBondContact OD1-NH2 2.96Å; N99-F587 HydrophobicContact CB-CE2 3.96Å; N99-F587 HydrophobicContact CB-CZ 4.04Å; N99-F587 VanDerWaalsContact ND2-CE2 3.33Å; N99-F587 WeakPolarHBondContact ND2-CE2 3.32Å; N99-F587 WeakPolarHBondContact ND2-CZ 3.49Å |
| 100 | A | 78.3 | Confident | 80.5 | Confident | 66 Ų | 66 | 55 Ų | 55 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.5 | -47.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A96 M97 R102 | A96-A100 WeakPolarHBondContact O-CB 3.31Å; A96-A100 PolarHBondContact O-N 3.1Å; M97-A100 PolarHBondContact O-N 2.94Å; A100-R102 VanDerWaalsContact C-N 3.34Å; A100-R102 PolarHBondContact O-N 3.31Å |
| 101 | A | 85 | Confident | 80.6 | Confident | 39 Ų | 39 | 54.4 Ų | 54.4 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.4 | -34.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | M97 F98 L103 T104 L105 | M97-A101 WeakPolarHBondContact O-CB 3.48Å; M97-A101 PolarHBondContact O-N 3.49Å; F98-A101 PolarHBondContact O-N 3.43Å; A101-L103 VanDerWaalsContact C-N 3.28Å; A101-L103 PolarHBondContact O-N 3.26Å; A101-T104 PolarHBondContact O-N 3.26Å; A101-L105 HydrophobicContact CB-CD1 4.34Å; A101-L105 WeakPolarHBondContact O-CB 3.46Å; A101-L105 WeakPolarHBondContact O-CG 3.38Å; A101-L105 PolarHBondContact O-N 3.42Å |
| 102 | R | 83.5 | Confident | 81.2 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 5% | 0.053 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.5 | -39.4 | -178.9 | 177.1 | -176.2 | 69.5 | 106.5 | -0.4 | 112.7 | Y64 F98 N99 A100 S106 | Y64-R102 HydrophobicContact CD2-CG 4.45Å; Y64-R102 HydrophobicContact CE2-CG 4.11Å; Y64-R102 WeakPolarHBondContact O-CD 3.34Å; Y64-R102 PolarHBondContact O-NH1 3.46Å; Y64-R102 PolarHBondContact OH-NH1 3.42Å; Y64-R102 PolarHBondContact OH-NH2 3.35Å; F98-R102 WeakPolarHBondContact O-CB 3.3Å; F98-R102 PolarHBondContact O-N 3.41Å; N99-R102 PolarHBondContact OD1-NE 3.16Å; N99-R102 VanDerWaalsContact OD1-NE 3.15Å; N99-R102 PolarHBondContact OD1-NH2 2.96Å; A100-R102 VanDerWaalsContact C-N 3.34Å; A100-R102 PolarHBondContact O-N 3.31Å; R102-S106 WeakPolarHBondContact O-CA 3.22Å; R102-S106 WeakPolarHBondContact O-CB 3.48Å; R102-S106 PolarHBondContact O-N 3.15Å; R102-S106 PolarHBondContact O-OG 3.21Å |
| 103 | L | 76.2 | Confident | 82 | Confident | 62 Ų | 62 | 58 Ų | 58 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | -178.8 | -176.2 | 141.8 | 0 | 0 | 0 | 111.1 | A101 L107 Y108 | A101-L103 VanDerWaalsContact C-N 3.28Å; A101-L103 PolarHBondContact O-N 3.26Å; L103-L107 VanDerWaalsContact O-CB 3.27Å; L103-L107 WeakPolarHBondContact O-CB 3.48Å; L103-L107 PolarHBondContact O-N 3.25Å; L103-Y108 HydrophobicContact CD2-CD2 3.72Å; L103-Y108 HydrophobicContact CD2-CE1 4.42Å; L103-Y108 HydrophobicContact CD2-CE2 3.05Å; L103-Y108 VanDerWaalsContact CD2-CZ 3.46Å; L103-Y108 HydrophobicContact CG-CE2 4.19Å; L103-Y108 PolarHBondContact O-N 2.97Å |
| 104 | T | 85.2 | Confident | 82.1 | Confident | 81 Ų | 81 | 56.1 Ų | 56.1 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | I | π-helix | trans | -68.1 | -48.6 | 175.5 | -51.2 | 0 | 0 | 0 | 0 | 112.1 | A101 Y108 L109 | A101-T104 PolarHBondContact O-N 3.26Å; T104-Y108 PolarHBondContact O-N 3.42Å; T104-L109 PolarHBondContact O-N 2.95Å |
| 105 | L | 86.3 | Confident | 82.2 | Confident | 108 Ų | 108 | 59.8 Ų | 59.8 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | I | π-helix | trans | -80.2 | -39.5 | -171.8 | -66.9 | 174.9 | 0 | 0 | 0 | 114 | A101 L109 P110 | A101-L105 HydrophobicContact CB-CD1 4.34Å; A101-L105 WeakPolarHBondContact O-CB 3.46Å; A101-L105 WeakPolarHBondContact O-CG 3.38Å; A101-L105 PolarHBondContact O-N 3.42Å; L105-L109 HydrophobicContact CD2-CD2 4.5Å; L105-P110 VanDerWaalsContact O-CD 3.29Å; L105-P110 WeakPolarHBondContact O-CD 3.39Å |
| 106 | S | 81.4 | Confident | 82.8 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 12% | 0.119 | 36% | 0.362 | C | S | . | . | I | π-helix | trans | -95.3 | -17.1 | -173.4 | -53.9 | 0 | 0 | 0 | 0 | 113.6 | T67 R102 | T67-S106 WeakPolarHBondContact CB-OG 3.14Å; T67-S106 WeakPolarHBondContact CG2-OG 3.49Å; R102-S106 WeakPolarHBondContact O-CA 3.22Å; R102-S106 WeakPolarHBondContact O-CB 3.48Å; R102-S106 PolarHBondContact O-N 3.15Å; R102-S106 PolarHBondContact O-OG 3.21Å |
| 107 | L | 76 | Confident | 83.3 | Confident | 6 Ų | 6 | 68.6 Ų | 68.6 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | I | π-helix | trans | -113.4 | -68.9 | 177.5 | -164.4 | 68.6 | 0 | 0 | 0 | 110.5 | Y64 L103 L109 P110 F111 Y524 R527 | Y64-L107 HydrophobicContact CD2-CB 4.3Å; Y64-L107 HydrophobicContact CE2-CB 4.05Å; L103-L107 VanDerWaalsContact O-CB 3.27Å; L103-L107 WeakPolarHBondContact O-CB 3.48Å; L103-L107 PolarHBondContact O-N 3.25Å; L107-L109 PolarHBondContact O-N 2.66Å; L107-P110 WeakPolarHBondContact O-CD 3.47Å; L107-F111 HydrophobicContact CD1-CD2 4.03Å; L107-F111 HydrophobicContact CD1-CE2 3.92Å; L107-F111 HydrophobicContact CG-CD2 4.19Å; L107-F111 WeakPolarHBondContact O-CD2 3.19Å; L107-F111 PolarHBondContact O-N 3.36Å; L107-F111 VanDerWaalsContact O-N 3.15Å; L107-Y524 HydrophobicContact CD1-CE1 4.17Å; L107-R527 VanDerWaalsContact CD1-NH1 3.34Å |
| 108 | Y | 83.4 | Confident | 83.1 | Confident | 117 Ų | 117 | 64.9 Ų | 64.9 | 46% | 0.459 | 35% | 0.349 | S | S | . | . | I | π-helix | trans | -65.5 | -37.7 | -168.8 | -63.1 | -28.7 | 0 | 0 | 0 | 113.8 | L103 T104 F111 A112 | L103-Y108 HydrophobicContact CD2-CD2 3.72Å; L103-Y108 HydrophobicContact CD2-CE1 4.42Å; L103-Y108 HydrophobicContact CD2-CE2 3.05Å; L103-Y108 VanDerWaalsContact CD2-CZ 3.46Å; L103-Y108 HydrophobicContact CG-CE2 4.19Å; L103-Y108 PolarHBondContact O-N 2.97Å; T104-Y108 PolarHBondContact O-N 3.42Å; Y108-F111 PolarHBondContact O-N 3.48Å; Y108-A112 VanDerWaalsContact O-CB 3.3Å; Y108-A112 WeakPolarHBondContact O-CB 3Å; Y108-A112 PolarHBondContact O-N 3.36Å |
| 109 | L | 86.8 | Confident | 83.3 | Confident | 96 Ų | 96 | 66 Ų | 66 | 50% | 0.503 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.2 | -51.9 | 178.6 | -180 | 69.1 | 0 | 0 | 0 | 112.7 | T104 L105 L107 F111 A112 V113 | T104-L109 PolarHBondContact O-N 2.95Å; L105-L109 HydrophobicContact CD2-CD2 4.5Å; L107-L109 PolarHBondContact O-N 2.66Å; L109-F111 VanDerWaalsContact C-N 3.27Å; L109-F111 PolarHBondContact O-N 3.49Å; L109-A112 PolarHBondContact O-N 3.03Å; L109-A112 VanDerWaalsContact O-N 3.17Å; L109-V113 WeakPolarHBondContact O-CG2 3.02Å; L109-V113 PolarHBondContact O-N 3.07Å |
| 110 | P | 83.4 | Confident | 83.9 | Confident | 47 Ų | 47 | 66.1 Ų | 66.1 | 31% | 0.305 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55 | -40 | 171.8 | -28.7 | 33.5 | 0 | 0 | 0 | 113.8 | V60 L105 L107 V113 Q114 | V60-P110 HydrophobicContact CG1-CB 4.43Å; L105-P110 VanDerWaalsContact O-CD 3.29Å; L105-P110 WeakPolarHBondContact O-CD 3.39Å; L107-P110 WeakPolarHBondContact O-CD 3.47Å; P110-V113 PolarHBondContact O-N 3.22Å; P110-Q114 WeakPolarHBondContact O-CB 3.47Å; P110-Q114 PolarHBondContact O-N 3.19Å |
| 111 | F | 78.5 | Confident | 84.1 | Confident | 42 Ų | 42 | 65.1 Ų | 65.1 | 18% | 0.184 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 176.3 | -87.7 | -71.2 | 0 | 0 | 0 | 112.9 | L107 Y108 L109 Q114 N115 Y524 | L107-F111 HydrophobicContact CD1-CD2 4.03Å; L107-F111 HydrophobicContact CD1-CE2 3.92Å; L107-F111 HydrophobicContact CG-CD2 4.19Å; L107-F111 WeakPolarHBondContact O-CD2 3.19Å; L107-F111 PolarHBondContact O-N 3.36Å; L107-F111 VanDerWaalsContact O-N 3.15Å; Y108-F111 PolarHBondContact O-N 3.48Å; L109-F111 VanDerWaalsContact C-N 3.27Å; L109-F111 PolarHBondContact O-N 3.49Å; F111-Q114 PolarHBondContact O-N 2.82Å; F111-N115 WeakPolarHBondContact O-CB 3.26Å; F111-N115 VanDerWaalsContact O-CG 3.22Å; F111-N115 PolarHBondContact O-N 3.23Å; F111-Y524 HydrophobicContact CE2-CE1 4.41Å; F111-Y524 AromaticContact CE2-CZ 3.83Å; F111-Y524 WeakPolarHBondContact CE2-OH 3.43Å; F111-Y524 HydrophobicContact CZ-CE2 4.25Å; F111-Y524 AromaticContact CZ-CZ 3.64Å; F111-Y524 WeakPolarHBondContact CZ-OH 3.2Å |
| 112 | A | 87.8 | Confident | 84.2 | Confident | 56 Ų | 56 | 66.7 Ų | 66.7 | 46% | 0.463 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y108 L109 N115 Y116 | Y108-A112 VanDerWaalsContact O-CB 3.3Å; Y108-A112 WeakPolarHBondContact O-CB 3Å; Y108-A112 PolarHBondContact O-N 3.36Å; L109-A112 PolarHBondContact O-N 3.03Å; L109-A112 VanDerWaalsContact O-N 3.17Å; A112-N115 PolarHBondContact O-N 3.38Å; A112-Y116 WeakPolarHBondContact O-CB 3.45Å; A112-Y116 PolarHBondContact O-N 3.09Å |
| 113 | V | 88 | Confident | 84.5 | Confident | 77 Ų | 77 | 70.3 Ų | 70.3 | 47% | 0.467 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 174.6 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | L109 P110 Y116 L117 | L109-V113 WeakPolarHBondContact O-CG2 3.02Å; L109-V113 PolarHBondContact O-N 3.07Å; P110-V113 PolarHBondContact O-N 3.22Å; V113-Y116 PolarHBondContact O-N 3.05Å; V113-L117 HydrophobicContact CG1-CD1 4.17Å; V113-L117 VanDerWaalsContact O-CG 3.3Å; V113-L117 WeakPolarHBondContact O-CG 3.34Å; V113-L117 PolarHBondContact O-N 3.46Å |
| 114 | Q | 81.9 | Confident | 85 | Confident | 37 Ų | 37 | 72 Ų | 72 | 17% | 0.173 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.7 | -51.1 | 176.2 | -176.7 | -175.3 | -38.7 | 0 | 0 | 111.2 | P110 F111 Y116 L117 E118 | P110-Q114 WeakPolarHBondContact O-CB 3.47Å; P110-Q114 PolarHBondContact O-N 3.19Å; F111-Q114 PolarHBondContact O-N 2.82Å; Q114-Y116 VanDerWaalsContact C-N 3.32Å; Q114-Y116 PolarHBondContact O-N 2.81Å; Q114-L117 PolarHBondContact O-N 3.42Å; Q114-E118 VanDerWaalsContact CG-OE1 3.3Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.49Å; Q114-E118 PolarHBondContact NE2-OE1 2.65Å; Q114-E118 WeakPolarHBondContact O-CG 3.46Å; Q114-E118 PolarHBondContact O-N 3.13Å |
| 115 | N | 83.3 | Confident | 84.9 | Confident | 90 Ų | 90 | 72.7 Ų | 72.7 | 48% | 0.481 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.1 | -36.2 | -179.4 | -70.5 | -8.3 | 0 | 0 | 0 | 112 | F111 A112 E118 L119 | F111-N115 WeakPolarHBondContact O-CB 3.26Å; F111-N115 VanDerWaalsContact O-CG 3.22Å; F111-N115 PolarHBondContact O-N 3.23Å; A112-N115 PolarHBondContact O-N 3.38Å; N115-E118 PolarHBondContact O-N 3.37Å; N115-L119 WeakPolarHBondContact O-CB 3.35Å; N115-L119 PolarHBondContact O-N 3.09Å |
| 116 | Y | 90.6 | Very high | 84.9 | Confident | 155 Ų | 155 | 71.3 Ų | 71.3 | 61% | 0.608 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.5 | -42.8 | 174.3 | 176.5 | -99.1 | 0 | 0 | 0 | 112 | A112 V113 Q114 L119 S120 | A112-Y116 WeakPolarHBondContact O-CB 3.45Å; A112-Y116 PolarHBondContact O-N 3.09Å; V113-Y116 PolarHBondContact O-N 3.05Å; Q114-Y116 VanDerWaalsContact C-N 3.32Å; Q114-Y116 PolarHBondContact O-N 2.81Å; Y116-L119 PolarHBondContact O-N 2.91Å; Y116-S120 WeakPolarHBondContact O-CB 3.43Å; Y116-S120 PolarHBondContact O-N 3.37Å; Y116-S120 PolarHBondContact O-OG 3.35Å |
| 117 | L | 86.6 | Confident | 85.3 | Confident | 99 Ų | 99 | 75.8 Ų | 75.8 | 52% | 0.518 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 176.2 | -69.2 | 173.5 | 0 | 0 | 0 | 111.6 | V113 Q114 S120 V121 | V113-L117 HydrophobicContact CG1-CD1 4.17Å; V113-L117 VanDerWaalsContact O-CG 3.3Å; V113-L117 WeakPolarHBondContact O-CG 3.34Å; V113-L117 PolarHBondContact O-N 3.46Å; Q114-L117 PolarHBondContact O-N 3.42Å; L117-S120 PolarHBondContact O-N 2.95Å; L117-V121 WeakPolarHBondContact O-CG2 3.44Å; L117-V121 PolarHBondContact O-N 3.09Å |
| 118 | E | 80.8 | Confident | 85.6 | Confident | 52 Ų | 52 | 79.7 Ų | 79.7 | 24% | 0.243 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 175.2 | -74 | 175.1 | -156.9 | 0 | 0 | 112.1 | W2 Q114 N115 V121 T122 | W2-E118 HydrophobicContact CD2-CG 4.39Å; W2-E118 HydrophobicContact CG-CG 4.26Å; W2-E118 WeakPolarHBondContact CZ2-OE1 3.27Å; W2-E118 PolarHBondContact NE1-OE1 3.36Å; W2-E118 VanDerWaalsContact NE1-OE1 3.12Å; Q114-E118 VanDerWaalsContact CG-OE1 3.3Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.49Å; Q114-E118 PolarHBondContact NE2-OE1 2.65Å; Q114-E118 WeakPolarHBondContact O-CG 3.46Å; Q114-E118 PolarHBondContact O-N 3.13Å; N115-E118 PolarHBondContact O-N 3.37Å; E118-V121 PolarHBondContact O-N 3.46Å; E118-T122 WeakPolarHBondContact O-CB 3.36Å; E118-T122 PolarHBondContact O-N 2.99Å; E118-T122 PolarHBondContact O-OG1 2.66Å |
| 119 | L | 89.7 | Confident | 85.2 | Confident | 93 Ų | 93 | 77.7 Ų | 77.7 | 49% | 0.487 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 174.9 | 178.8 | 63.2 | 0 | 0 | 0 | 111.2 | N115 Y116 V121 T122 L123 | N115-L119 WeakPolarHBondContact O-CB 3.35Å; N115-L119 PolarHBondContact O-N 3.09Å; Y116-L119 PolarHBondContact O-N 2.91Å; L119-V121 VanDerWaalsContact C-N 3.31Å; L119-V121 PolarHBondContact O-N 3.33Å; L119-T122 PolarHBondContact O-N 3.26Å; L119-T122 VanDerWaalsContact O-N 3.15Å; L119-L123 HydrophobicContact CD1-CD1 4.05Å; L119-L123 HydrophobicContact CD1-CD2 4.43Å; L119-L123 HydrophobicContact CD1-CG 3.92Å; L119-L123 HydrophobicContact CD2-CD1 4.41Å; L119-L123 HydrophobicContact CG-CD1 3.84Å; L119-L123 HydrophobicContact CG-CG 4.16Å; L119-L123 WeakPolarHBondContact O-CB 3.34Å; L119-L123 WeakPolarHBondContact O-CG 3.43Å; L119-L123 PolarHBondContact O-N 2.83Å |
| 120 | S | 89.1 | Confident | 84.7 | Confident | 35 Ų | 35 | 79.9 Ų | 79.9 | 25% | 0.245 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 179.5 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | Y116 L117 N124 | Y116-S120 WeakPolarHBondContact O-CB 3.43Å; Y116-S120 PolarHBondContact O-N 3.37Å; Y116-S120 PolarHBondContact O-OG 3.35Å; L117-S120 PolarHBondContact O-N 2.95Å; S120-N124 WeakPolarHBondContact O-CB 3.48Å; S120-N124 VanDerWaalsContact O-CG 3.26Å; S120-N124 PolarHBondContact O-N 3.36Å; S120-N124 PolarHBondContact O-ND2 3.36Å |
| 121 | V | 83.6 | Confident | 84.3 | Confident | 44 Ų | 44 | 82.6 Ų | 82.6 | 27% | 0.267 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 175.4 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | F3 L117 E118 L119 N124 R125 | F3-V121 HydrophobicContact CD2-CG1 4.06Å; L117-V121 WeakPolarHBondContact O-CG2 3.44Å; L117-V121 PolarHBondContact O-N 3.09Å; E118-V121 PolarHBondContact O-N 3.46Å; L119-V121 VanDerWaalsContact C-N 3.31Å; L119-V121 PolarHBondContact O-N 3.33Å; V121-N124 PolarHBondContact O-N 3.29Å; V121-R125 WeakPolarHBondContact O-CG 3.18Å; V121-R125 PolarHBondContact O-N 2.86Å |
| 122 | T | 86.6 | Confident | 83.7 | Confident | 72 Ų | 72 | 87.3 Ų | 87.3 | 44% | 0.442 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 178.6 | -57 | 0 | 0 | 0 | 0 | 111.6 | E118 L119 R125 I126 | E118-T122 WeakPolarHBondContact O-CB 3.36Å; E118-T122 PolarHBondContact O-N 2.99Å; E118-T122 PolarHBondContact O-OG1 2.66Å; L119-T122 PolarHBondContact O-N 3.26Å; L119-T122 VanDerWaalsContact O-N 3.15Å; T122-R125 WeakPolarHBondContact O-CB 3.47Å; T122-R125 PolarHBondContact O-N 3.1Å; T122-I126 HydrophobicContact CG2-CD1 3.9Å; T122-I126 HydrophobicContact CG2-CG1 4.49Å; T122-I126 WeakPolarHBondContact O-CG1 3.36Å; T122-I126 PolarHBondContact O-N 2.89Å |
| 123 | L | 90.1 | Very high | 82.3 | Confident | 90 Ų | 90 | 87.8 Ų | 87.8 | 47% | 0.471 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 175.8 | -73.2 | 175.1 | 0 | 0 | 0 | 111.6 | L119 R125 I126 Q127 | L119-L123 HydrophobicContact CD1-CD1 4.05Å; L119-L123 HydrophobicContact CD1-CD2 4.43Å; L119-L123 HydrophobicContact CD1-CG 3.92Å; L119-L123 HydrophobicContact CD2-CD1 4.41Å; L119-L123 HydrophobicContact CG-CD1 3.84Å; L119-L123 HydrophobicContact CG-CG 4.16Å; L119-L123 WeakPolarHBondContact O-CB 3.34Å; L119-L123 WeakPolarHBondContact O-CG 3.43Å; L119-L123 PolarHBondContact O-N 2.83Å; L123-R125 VanDerWaalsContact C-N 3.31Å; L123-R125 PolarHBondContact O-N 2.91Å; L123-I126 PolarHBondContact O-N 3.16Å; L123-Q127 VanDerWaalsContact O-CB 3.32Å; L123-Q127 WeakPolarHBondContact O-CB 3.4Å; L123-Q127 PolarHBondContact O-N 3.29Å |
| 124 | N | 87 | Confident | 80.8 | Confident | 99 Ų | 99 | 86.8 Ų | 86.8 | 53% | 0.529 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 174.4 | -75.8 | -17.5 | 0 | 0 | 0 | 111.8 | S120 V121 Q127 V128 | S120-N124 WeakPolarHBondContact O-CB 3.48Å; S120-N124 VanDerWaalsContact O-CG 3.26Å; S120-N124 PolarHBondContact O-N 3.36Å; S120-N124 PolarHBondContact O-ND2 3.36Å; V121-N124 PolarHBondContact O-N 3.29Å; N124-Q127 PolarHBondContact O-N 2.92Å; N124-V128 VanDerWaalsContact O-CG2 3.31Å; N124-V128 WeakPolarHBondContact O-CG2 3.42Å; N124-V128 PolarHBondContact O-N 3.4Å |
| 125 | R | 81.8 | Confident | 79.2 | Confident | 94 Ų | 94 | 92.9 Ų | 92.9 | 36% | 0.355 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 175.5 | -73.8 | 176.9 | 172.2 | -147.2 | -9.2 | 111.7 | A6 D10 V121 T122 L123 V128 S129 | A6-R125 VanDerWaalsContact CB-NH2 3.34Å; D10-R125 IonicContact OD2-CZ 3.55Å; D10-R125 IonicContact OD2-NH1 2.94Å; D10-R125 PolarHBondContact OD2-NH1 3.36Å; D10-R125 VanDerWaalsContact OD2-NH1 3.09Å; D10-R125 IonicContact OD2-NH2 3.87Å; D10-R125 PolarHBondContact OD2-NH2 3.25Å; V121-R125 WeakPolarHBondContact O-CG 3.18Å; V121-R125 PolarHBondContact O-N 2.86Å; T122-R125 WeakPolarHBondContact O-CB 3.47Å; T122-R125 PolarHBondContact O-N 3.1Å; L123-R125 VanDerWaalsContact C-N 3.31Å; L123-R125 PolarHBondContact O-N 2.91Å; R125-V128 PolarHBondContact O-N 3.08Å; R125-S129 PolarHBondContact O-N 3.48Å; R125-S129 VanDerWaalsContact O-N 3.1Å |
| 126 | I | 87.4 | Confident | 77.7 | Confident | 79 Ų | 79 | 92.7 Ų | 92.7 | 41% | 0.405 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 177.7 | -71.5 | 170.6 | 0 | 0 | 0 | 110.6 | T122 L123 S129 F130 | T122-I126 HydrophobicContact CG2-CD1 3.9Å; T122-I126 HydrophobicContact CG2-CG1 4.49Å; T122-I126 WeakPolarHBondContact O-CG1 3.36Å; T122-I126 PolarHBondContact O-N 2.89Å; L123-I126 PolarHBondContact O-N 3.16Å; I126-S129 WeakPolarHBondContact O-CB 3.44Å; I126-S129 PolarHBondContact O-N 3.14Å; I126-F130 HydrophobicContact CG2-CD2 3.45Å; I126-F130 VanDerWaalsContact CG2-CD2 3.45Å; I126-F130 HydrophobicContact CG2-CE2 3.37Å; I126-F130 VanDerWaalsContact O-CD2 3.28Å; I126-F130 WeakPolarHBondContact O-CD2 3.38Å; I126-F130 PolarHBondContact O-N 3.3Å |
| 127 | Q | 88.2 | Confident | 75.5 | Confident | 112 Ų | 112 | 91.9 Ų | 91.9 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 178.4 | -176.1 | 179.1 | -4.3 | 0 | 0 | 112.3 | L123 N124 S129 F130 N131 | L123-Q127 VanDerWaalsContact O-CB 3.32Å; L123-Q127 WeakPolarHBondContact O-CB 3.4Å; L123-Q127 PolarHBondContact O-N 3.29Å; N124-Q127 PolarHBondContact O-N 2.92Å; Q127-S129 VanDerWaalsContact C-N 3.29Å; Q127-S129 PolarHBondContact O-N 2.72Å; Q127-F130 PolarHBondContact O-N 2.81Å; Q127-N131 WeakPolarHBondContact O-CB 3.37Å; Q127-N131 VanDerWaalsContact O-CG 3.28Å; Q127-N131 PolarHBondContact O-N 3Å |
| 128 | V | 82.1 | Confident | 73.3 | Confident | 87 Ų | 87 | 96.1 Ų | 96.1 | 53% | 0.527 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 174.6 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | N124 R125 N131 H132 | N124-V128 VanDerWaalsContact O-CG2 3.31Å; N124-V128 WeakPolarHBondContact O-CG2 3.42Å; N124-V128 PolarHBondContact O-N 3.4Å; R125-V128 PolarHBondContact O-N 3.08Å; V128-N131 PolarHBondContact O-N 2.88Å; V128-H132 PolarHBondContact O-CD2 2.95Å; V128-H132 PolarHBondContact O-N 3.31Å |
| 129 | S | 75.5 | Confident | 71.3 | Confident | 76 Ų | 76 | 98.8 Ų | 98.8 | 53% | 0.531 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 176.5 | -162.9 | 0 | 0 | 0 | 0 | 112.2 | R125 I126 Q127 N131 H132 S133 | R125-S129 PolarHBondContact O-N 3.48Å; R125-S129 VanDerWaalsContact O-N 3.1Å; I126-S129 WeakPolarHBondContact O-CB 3.44Å; I126-S129 PolarHBondContact O-N 3.14Å; Q127-S129 VanDerWaalsContact C-N 3.29Å; Q127-S129 PolarHBondContact O-N 2.72Å; S129-N131 PolarHBondContact O-N 2.85Å; S129-H132 PolarHBondContact O-N 3.44Å; S129-S133 PolarHBondContact O-N 3.31Å; S129-S133 PolarHBondContact O-OG 3.35Å |
| 130 | F | 77.3 | Confident | 68.9 | Low | 142 Ų | 142 | 100.4 Ų | 100.4 | 62% | 0.623 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.7 | -38.9 | 177.5 | -85.8 | -68.2 | 0 | 0 | 0 | 113 | I126 Q127 H132 S133 A134 | I126-F130 HydrophobicContact CG2-CD2 3.45Å; I126-F130 VanDerWaalsContact CG2-CD2 3.45Å; I126-F130 HydrophobicContact CG2-CE2 3.37Å; I126-F130 VanDerWaalsContact O-CD2 3.28Å; I126-F130 WeakPolarHBondContact O-CD2 3.38Å; I126-F130 PolarHBondContact O-N 3.3Å; Q127-F130 PolarHBondContact O-N 2.81Å; F130-H132 VanDerWaalsContact C-N 3.29Å; F130-H132 PolarHBondContact O-N 3.14Å; F130-S133 PolarHBondContact O-N 3.49Å; F130-A134 WeakPolarHBondContact O-CB 3.46Å; F130-A134 PolarHBondContact O-N 3.16Å |
| 131 | N | 73.6 | Confident | 66.4 | Low | 104 Ų | 104 | 103.3 Ų | 103.3 | 56% | 0.556 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.8 | -36 | 177.5 | -74.9 | -10.5 | 0 | 0 | 0 | 112.1 | Q127 V128 S129 | Q127-N131 WeakPolarHBondContact O-CB 3.37Å; Q127-N131 VanDerWaalsContact O-CG 3.28Å; Q127-N131 PolarHBondContact O-N 3Å; V128-N131 PolarHBondContact O-N 2.88Å; S129-N131 PolarHBondContact O-N 2.85Å |
| 132 | H | 66.4 | Low | 64 | Low | 141 Ų | 141 | 110 Ų | 110 | 65% | 0.653 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68 | -41.8 | 174.3 | -89.9 | -72.9 | 0 | 0 | 0 | 112.5 | V128 S129 F130 | V128-H132 PolarHBondContact O-CD2 2.95Å; V128-H132 PolarHBondContact O-N 3.31Å; S129-H132 PolarHBondContact O-N 3.44Å; F130-H132 VanDerWaalsContact C-N 3.29Å; F130-H132 PolarHBondContact O-N 3.14Å |
| 133 | S | 59.6 | Low | 61.7 | Low | 65 Ų | 65 | 114 Ų | 114 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.6 | -32.7 | 179.1 | -58.8 | 0 | 0 | 0 | 0 | 113.7 | S129 F130 M135 I136 | S129-S133 PolarHBondContact O-N 3.31Å; S129-S133 PolarHBondContact O-OG 3.35Å; F130-S133 PolarHBondContact O-N 3.49Å; S133-M135 PolarHBondContact O-N 2.92Å; S133-I136 PolarHBondContact O-N 2.87Å; S133-I136 VanDerWaalsContact O-N 3.16Å |
| 134 | A | 55.2 | Low | 59 | Low | 56 Ų | 56 | 119 Ų | 119 | 46% | 0.463 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.9 | -26 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F130 I136 | F130-A134 WeakPolarHBondContact O-CB 3.46Å; F130-A134 PolarHBondContact O-N 3.16Å; A134-I136 PolarHBondContact O-N 3.39Å |
| 135 | M | 48.9 | Very low | 56.3 | Low | 165 Ų | 165 | 121.9 Ų | 121.9 | 81% | 0.813 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -21.4 | 177.4 | -110.7 | -173 | 153.1 | 0 | 0 | 113.6 | S133 | S133-M135 PolarHBondContact O-N 2.92Š|
| 136 | I | 51.4 | Low | 54.1 | Low | 87 Ų | 87 | 124.9 Ų | 124.9 | 45% | 0.446 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.2 | -22.3 | -173.3 | -60 | 173.8 | 0 | 0 | 0 | 111.9 | S133 A134 | S133-I136 PolarHBondContact O-N 2.87Å; S133-I136 VanDerWaalsContact O-N 3.16Å; A134-I136 PolarHBondContact O-N 3.39Å |
| 137 | N | 44.2 | Very low | 51.6 | Low | 138 Ų | 138 | 131.2 Ų | 131.2 | 74% | 0.738 | 65% | 0.647 | S | S | * | * | trans | -105.2 | 13 | -161.6 | -86.7 | -19.1 | 0 | 0 | 0 | 118.2 | ||||
| 138 | F | 40 | Very low | 49.1 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 82% | 0.82 | 64% | 0.636 | S | S | * | * | trans | -105.2 | 69.2 | 179 | -90.4 | -83.5 | 0 | 0 | 0 | 113.8 | ||||
| 139 | L | 40 | Very low | 47.2 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 57% | 0.565 | 62% | 0.618 | S | S | * | * | trans | -129.2 | 89.4 | 158.1 | -87 | 164.5 | 0 | 0 | 0 | 109.4 | L141 | L139-L141 PolarHBondContact O-N 3.45Š| ||
| 140 | T | 38.3 | Very low | 45.3 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 78% | 0.779 | 62% | 0.623 | S | S | * | * | trans | -54.4 | 119.1 | 175.4 | 42.6 | 0 | 0 | 0 | 0 | 111.9 | K142 | T140-K142 PolarHBondContact O-N 3.04Š| ||
| 141 | L | 36.3 | Very low | 43.3 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | trans | -65 | 111.6 | 166 | -89.1 | 152 | 0 | 0 | 0 | 109.8 | L139 F143 | L139-L141 PolarHBondContact O-N 3.45Å; L141-F143 HydrophobicContact CB-CD2 4.01Å; L141-F143 HydrophobicContact CB-CE2 3.82Å; L141-F143 HydrophobicContact CD1-CE2 3.87Å; L141-F143 HydrophobicContact CD1-CZ 3.93Å; L141-F143 HydrophobicContact CD2-CE1 4.34Å; L141-F143 HydrophobicContact CD2-CE2 4.16Å; L141-F143 HydrophobicContact CD2-CZ 4.06Å; L141-F143 HydrophobicContact CG-CE2 4.17Å; L141-F143 HydrophobicContact CG-CZ 4.4Å | ||
| 142 | K | 35 | Very low | 42.1 | Very low | 185 Ų | 185 | 124.3 Ų | 124.3 | 80% | 0.804 | 60% | 0.597 | S | S | * | * | trans | -86.7 | 98.2 | 150.9 | -81.6 | -174.4 | 179 | 175.3 | 0 | 107.2 | T140 R144 | T140-K142 PolarHBondContact O-N 3.04Å; K142-R144 PolarHBondContact O-N 3.27Å; K142-R144 VanDerWaalsContact O-N 3.15Å | ||
| 143 | F | 36.7 | Very low | 40.5 | Very low | 157 Ų | 157 | 120.3 Ų | 120.3 | 69% | 0.689 | 58% | 0.583 | S | S | * | * | trans | -63.6 | 113.3 | 165.8 | -76.4 | -84 | 0 | 0 | 0 | 108.6 | L141 | L141-F143 HydrophobicContact CB-CD2 4.01Å; L141-F143 HydrophobicContact CB-CE2 3.82Å; L141-F143 HydrophobicContact CD1-CE2 3.87Å; L141-F143 HydrophobicContact CD1-CZ 3.93Å; L141-F143 HydrophobicContact CD2-CE1 4.34Å; L141-F143 HydrophobicContact CD2-CE2 4.16Å; L141-F143 HydrophobicContact CD2-CZ 4.06Å; L141-F143 HydrophobicContact CG-CE2 4.17Å; L141-F143 HydrophobicContact CG-CZ 4.4Å | ||
| 144 | R | 34 | Very low | 39.7 | Very low | 194 Ų | 194 | 117.3 Ų | 117.3 | 73% | 0.732 | 56% | 0.561 | S | S | * | * | trans | -118.2 | 134.2 | 162.3 | -86.2 | -174 | 166.8 | 179.4 | -4 | 107.7 | K142 F146 | K142-R144 PolarHBondContact O-N 3.27Å; K142-R144 VanDerWaalsContact O-N 3.15Å; R144-F146 VanDerWaalsContact C-N 3.29Å; R144-F146 PolarHBondContact O-N 2.79Å | ||
| 145 | N | 30 | Very low | 38.8 | Very low | 159 Ų | 159 | 118.5 Ų | 118.5 | 85% | 0.85 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -66.2 | 82.9 | 177.6 | -67.6 | -14.3 | 0 | 0 | 0 | 110.7 | ||
| 146 | F | 36 | Very low | 38.3 | Very low | 157 Ų | 157 | 112.1 Ų | 112.1 | 69% | 0.689 | 52% | 0.524 | S | S | * | . | trans | -146.3 | 121.2 | 166.2 | -79.2 | -78.9 | 0 | 0 | 0 | 109.3 | R144 C148 N208 | R144-F146 VanDerWaalsContact C-N 3.29Å; R144-F146 PolarHBondContact O-N 2.79Å; F146-C148 PolarHBondContact O-N 3.11Å; F146-C148 VanDerWaalsContact O-N 3.16Å; F146-N208 PolarHBondContact O-ND2 3.02Å | ||
| 147 | Y | 35.6 | Very low | 37.6 | Very low | 212 Ų | 212 | 110.7 Ų | 110.7 | 83% | 0.831 | 53% | 0.525 | S | S | * | . | trans | -80.2 | 82.1 | 173.6 | -60.4 | -88.5 | 0 | 0 | 0 | 109.1 | ||||
| 148 | C | 35.7 | Very low | 37.2 | Very low | 42 Ų | 42 | 111.3 Ų | 111.3 | 28% | 0.284 | 52% | 0.521 | S | S | . | . | trans | -164.9 | 122 | 173.6 | -163.5 | 0 | 0 | 0 | 0 | 110.5 | F146 R150 | F146-C148 PolarHBondContact O-N 3.11Å; F146-C148 VanDerWaalsContact O-N 3.16Å; C148-R150 PolarHBondContact O-N 3.4Å | ||
| 149 | C | 41.9 | Very low | 37.2 | Very low | 24 Ų | 24 | 110.4 Ų | 110.4 | 16% | 0.162 | 53% | 0.525 | C | S | . | . | B | Isolated β-bridge | trans | -77.4 | 105.1 | 162.8 | -86.6 | 0 | 0 | 0 | 0 | 108 | S170 V206 | C149-S170 WeakPolarHBondContact O-CA 3.24Å; C149-S170 WeakPolarHBondContact O-CB 3.38Å; C149-V206 PolarHBondContact SG-O 3.49Å |
| 150 | R | 35.3 | Very low | 37.2 | Very low | 169 Ų | 169 | 111.7 Ų | 111.7 | 64% | 0.638 | 54% | 0.537 | S | S | * | . | trans | -109.7 | 126.8 | -179.9 | -102.2 | 177.4 | -177.4 | 173 | 1.4 | 111.7 | C148 | C148-R150 PolarHBondContact O-N 3.4Š| ||
| 151 | F | 36 | Very low | 37.1 | Very low | 141 Ų | 141 | 114 Ų | 114 | 62% | 0.618 | 54% | 0.536 | S | S | * | . | trans | 47.5 | 112.5 | 162.6 | -54.5 | -72.6 | 0 | 0 | 0 | 118 | T168 | F151-T168 HydrophobicContact CD1-CG2 4.43Š| ||
| 152 | F | 47.2 | Very low | 37 | Very low | 1 Ų | 1 | 114.6 Ų | 114.6 | 0% | 0.004 | 54% | 0.54 | C | S | . | . | trans | -109 | 145.7 | 168.3 | -52.9 | -76.3 | 0 | 0 | 0 | 111.1 | I154 V167 T168 F169 L194 E204 V205 | F152-I154 HydrophobicContact CB-CD1 4.46Å; F152-I154 HydrophobicContact CB-CG1 4.39Å; F152-V167 CarbonylContact C-O 3.57Å; F152-T168 WeakPolarHBondContact O-CA 3.42Å; F152-T168 WeakPolarHBondContact O-CB 3.48Å; F152-T168 VanDerWaalsContact O-CG2 3.24Å; F152-T168 WeakPolarHBondContact O-CG2 3.39Å; F152-T168 PolarHBondContact O-OG1 3.22Å; F152-F169 HydrophobicContact CD2-CD1 4.12Å; F152-F169 AromaticContact CD2-CE1 3.97Å; F152-F169 HydrophobicContact CD2-CE1 3.97Å; F152-F169 HydrophobicContact CD2-CE2 4.44Å; F152-F169 HydrophobicContact CD2-CG 4.42Å; F152-F169 HydrophobicContact CD2-CZ 4.14Å; F152-F169 VanDerWaalsContact CD2-O 3.22Å; F152-F169 WeakPolarHBondContact CD2-O 3.25Å; F152-F169 HydrophobicContact CE2-CD2 4.49Å; F152-F169 HydrophobicContact CE2-CE1 4.39Å; F152-F169 HydrophobicContact CE2-CE2 4.14Å; F152-F169 HydrophobicContact CE2-CZ 4.09Å; F152-L194 HydrophobicContact CE1-CD2 4.18Å; F152-L194 HydrophobicContact CE2-CD2 4.35Å; F152-L194 HydrophobicContact CZ-CD2 3.88Å; F152-E204 VanDerWaalsContact CD1-O 3.31Å; F152-E204 WeakPolarHBondContact CD1-O 3.34Å; F152-V205 HydrophobicContact CD1-CB 4.08Å; F152-V205 HydrophobicContact CD1-CG1 4.23Å; F152-V205 HydrophobicContact CD1-CG2 3.77Å; F152-V205 VanDerWaalsContact CE1-CA 3.48Å; F152-V205 HydrophobicContact CE1-CB 3.88Å; F152-V205 HydrophobicContact CE1-CG1 3.64Å; F152-V205 HydrophobicContact CE1-CG2 4.05Å | ||
| 153 | T | 33.7 | Very low | 37.6 | Very low | 57 Ų | 57 | 112 Ų | 112 | 35% | 0.35 | 53% | 0.53 | S | S | . | . | trans | -140.6 | 92.3 | 155 | -54.7 | 0 | 0 | 0 | 0 | 105.3 | F155 V167 K202 G203 | T153-F155 HydrophobicContact CG2-CD2 4.05Å; T153-F155 HydrophobicContact CG2-CE2 3.37Å; T153-F155 HydrophobicContact CG2-CZ 3.82Å; T153-V167 WeakPolarHBondContact CA-O 3.29Å; T153-K202 CarbonylContact O-C 3.53Å; T153-G203 WeakPolarHBondContact O-CA 3.3Å; T153-G203 PolarHBondContact O-N 2.72Å | ||
| 154 | I | 42 | Very low | 37.9 | Very low | 2 Ų | 2 | 110.2 Ų | 110.2 | 1% | 0.01 | 53% | 0.527 | C | S | . | . | trans | -83.5 | 126.2 | -176.9 | -62.3 | 159.5 | 0 | 0 | 0 | 108.2 | F152 F156 T193 H200 V205 | F152-I154 HydrophobicContact CB-CD1 4.46Å; F152-I154 HydrophobicContact CB-CG1 4.39Å; I154-F156 HydrophobicContact CB-CE2 4.36Å; I154-F156 HydrophobicContact CB-CZ 4.4Å; I154-F156 HydrophobicContact CG2-CD1 4.3Å; I154-F156 HydrophobicContact CG2-CD2 4.12Å; I154-F156 HydrophobicContact CG2-CE1 3.77Å; I154-F156 HydrophobicContact CG2-CE2 3.57Å; I154-F156 HydrophobicContact CG2-CG 4.46Å; I154-F156 HydrophobicContact CG2-CZ 3.37Å; I154-T193 HydrophobicContact CD1-CG2 3.64Å; I154-T193 HydrophobicContact CG1-CG2 4.09Å; I154-T193 HydrophobicContact CG2-CG2 4.22Å; I154-H200 HydrophobicContact CG2-CB 3.75Å; I154-V205 HydrophobicContact CG1-CG2 4.5Å | ||
| 155 | F | 37.3 | Very low | 38.8 | Very low | 81 Ų | 81 | 103.7 Ų | 103.7 | 36% | 0.355 | 51% | 0.508 | S | S | . | . | B | Isolated β-bridge | trans | -111.3 | 114 | 166.9 | -64.8 | -97.1 | 0 | 0 | 0 | 109.3 | T153 N201 K202 | T153-F155 HydrophobicContact CG2-CD2 4.05Å; T153-F155 HydrophobicContact CG2-CE2 3.37Å; T153-F155 HydrophobicContact CG2-CZ 3.82Å; F155-N201 PolarHBondContact O-N 2.84Å; F155-K202 HydrophobicContact CB-CB 3.99Å; F155-K202 HydrophobicContact CD2-CB 3.41Å; F155-K202 VanDerWaalsContact CD2-CB 3.41Å; F155-K202 HydrophobicContact CD2-CD 4.19Å; F155-K202 HydrophobicContact CD2-CG 4.4Å; F155-K202 HydrophobicContact CE2-CB 4.14Å; F155-K202 HydrophobicContact CE2-CD 4.48Å; F155-K202 HydrophobicContact CG-CB 3.99Å; F155-K202 HydrophobicContact CG-CD 4.41Å; F155-K202 PolarHBondContact N-O 2.98Å |
| 156 | F | 38.3 | Very low | 40.1 | Very low | 31 Ų | 31 | 100 Ų | 100 | 14% | 0.136 | 50% | 0.495 | C | S | . | . | trans | -77.5 | 134.1 | 170.3 | -59.2 | -78.1 | 0 | 0 | 0 | 109.7 | I154 M189 V198 | I154-F156 HydrophobicContact CB-CE2 4.36Å; I154-F156 HydrophobicContact CB-CZ 4.4Å; I154-F156 HydrophobicContact CG2-CD1 4.3Å; I154-F156 HydrophobicContact CG2-CD2 4.12Å; I154-F156 HydrophobicContact CG2-CE1 3.77Å; I154-F156 HydrophobicContact CG2-CE2 3.57Å; I154-F156 HydrophobicContact CG2-CG 4.46Å; I154-F156 HydrophobicContact CG2-CZ 3.37Å; F156-M189 HydrophobicContact CD1-CE 3.53Å; F156-M189 HydrophobicContact CD1-CG 4.36Å; F156-M189 HydrophobicContact CD1-SD 3.65Å; F156-M189 HydrophobicContact CD2-CE 3.43Å; F156-M189 VanDerWaalsContact CD2-CE 3.43Å; F156-M189 HydrophobicContact CE1-CE 3.37Å; F156-M189 HydrophobicContact CE1-CG 3.61Å; F156-M189 HydrophobicContact CE1-SD 3.5Å; F156-M189 WeakPolarHBondContact CE1-SD 3.46Å; F156-M189 HydrophobicContact CE2-CE 3.26Å; F156-M189 HydrophobicContact CE2-SD 4.48Å; F156-M189 HydrophobicContact CG-CE 3.57Å; F156-M189 HydrophobicContact CG-SD 4.23Å; F156-M189 HydrophobicContact CZ-CE 3.23Å; F156-M189 HydrophobicContact CZ-CG 3.88Å; F156-M189 HydrophobicContact CZ-SD 3.95Å; F156-V198 HydrophobicContact CD1-CG1 4.05Å; F156-V198 HydrophobicContact CE1-CG1 3.77Å | ||
| 157 | A | 37.2 | Very low | 41.3 | Very low | 57 Ų | 57 | 93.7 Ų | 93.7 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | trans | -105.7 | 138.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N201 | A157-N201 HydrophobicContact CB-CB 4.05Å; A157-N201 WeakPolarHBondContact CB-ND2 3.5Å | ||
| 158 | K | 34.1 | Very low | 42.7 | Very low | 150 Ų | 150 | 87.6 Ų | 87.6 | 65% | 0.652 | 45% | 0.454 | S | S | * | . | trans | -54 | 127.6 | -175.8 | -82.5 | 171.1 | 164.3 | 176.1 | 0 | 113.9 | ||||
| 159 | D | 41.4 | Very low | 44.3 | Very low | 168 Ų | 168 | 87.7 Ų | 87.7 | 90% | 0.898 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -135.9 | -5.1 | 131.2 | -96.1 | -29.2 | 0 | 0 | 0 | 114 | ||
| 160 | V | 39.9 | Very low | 45.5 | Very low | 135 Ų | 135 | 89.7 Ų | 89.7 | 82% | 0.818 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -141.7 | 119.8 | 171.1 | -168.9 | 0 | 0 | 0 | 0 | 108.7 | ||
| 161 | K | 35.3 | Very low | 47.2 | Very low | 176 Ų | 176 | 83.3 Ų | 83.3 | 77% | 0.765 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 0.2 | 113.1 | 177.4 | -71.4 | 177.4 | 174 | 179.2 | 0 | 118.6 | ||
| 162 | D | 35.2 | Very low | 49 | Very low | 108 Ų | 108 | 82.3 Ų | 82.3 | 58% | 0.578 | 44% | 0.441 | S | S | * | . | trans | 57 | 60 | 137.7 | -58.2 | -24.6 | 0 | 0 | 0 | 122.1 | ||||
| 163 | H | 46.6 | Very low | 50.2 | Low | 130 Ų | 130 | 86.9 Ų | 86.9 | 60% | 0.602 | 47% | 0.471 | S | S | * | . | trans | -128.4 | 75.4 | 155.4 | -62 | -51.2 | 0 | 0 | 0 | 111.8 | V165 | H163-V165 PolarHBondContact O-N 3.11Š| ||
| 164 | I | 44 | Very low | 52 | Low | 121 Ų | 121 | 87.2 Ų | 87.2 | 62% | 0.621 | 49% | 0.486 | S | S | * | . | trans | -80.6 | 101.9 | 165.9 | -59.2 | 172.2 | 0 | 0 | 0 | 106.8 | ||||
| 165 | V | 52.2 | Low | 53.5 | Low | 56 Ų | 56 | 92 Ų | 92 | 34% | 0.339 | 51% | 0.508 | S | S | . | . | trans | -115.7 | 105.3 | 173.2 | -167.8 | 0 | 0 | 0 | 0 | 108.5 | H163 V167 | H163-V165 PolarHBondContact O-N 3.11Å; V165-V167 HydrophobicContact CB-CG2 4.18Å; V165-V167 HydrophobicContact CG1-CG2 3.42Å; V165-V167 VanDerWaalsContact CG1-CG2 3.42Å; V165-V167 PolarHBondContact O-N 3.48Å | ||
| 166 | S | 56.5 | Low | 55.4 | Low | 81 Ų | 81 | 92.8 Ų | 92.8 | 57% | 0.566 | 52% | 0.515 | S | S | * | . | trans | -76 | 105.2 | 166.9 | 57.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 167 | V | 62.6 | Low | 57.3 | Low | 25 Ų | 25 | 95.5 Ų | 95.5 | 15% | 0.152 | 53% | 0.531 | C | S | . | . | trans | -107.1 | 128.6 | 178.3 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | F152 T153 V165 F169 I190 | F152-V167 CarbonylContact C-O 3.57Å; T153-V167 WeakPolarHBondContact CA-O 3.29Å; V165-V167 HydrophobicContact CB-CG2 4.18Å; V165-V167 HydrophobicContact CG1-CG2 3.42Å; V165-V167 VanDerWaalsContact CG1-CG2 3.42Å; V165-V167 PolarHBondContact O-N 3.48Å; V167-F169 HydrophobicContact CG1-CD1 3.8Å; V167-F169 HydrophobicContact CG1-CE1 4.05Å; V167-I190 HydrophobicContact CG1-CD1 4.27Å; V167-I190 HydrophobicContact CG2-CD1 4.05Å; V167-I190 HydrophobicContact CG2-CG1 4.36Å | ||
| 168 | T | 64.2 | Low | 59.3 | Low | 85 Ų | 85 | 95.4 Ų | 95.4 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | trans | -132.6 | 118.6 | 176.2 | -54.2 | 0 | 0 | 0 | 0 | 110 | F151 F152 | F151-T168 HydrophobicContact CD1-CG2 4.43Å; F152-T168 WeakPolarHBondContact O-CA 3.42Å; F152-T168 WeakPolarHBondContact O-CB 3.48Å; F152-T168 VanDerWaalsContact O-CG2 3.24Å; F152-T168 WeakPolarHBondContact O-CG2 3.39Å; F152-T168 PolarHBondContact O-OG1 3.22Å | ||
| 169 | F | 70.1 | Confident | 61.1 | Low | 43 Ų | 43 | 91.3 Ų | 91.3 | 19% | 0.189 | 52% | 0.515 | C | S | . | . | trans | -151 | 164 | 171.1 | 66.3 | -81.9 | 0 | 0 | 0 | 110.2 | F152 V167 V171 L177 I190 L194 | F152-F169 HydrophobicContact CD2-CD1 4.12Å; F152-F169 AromaticContact CD2-CE1 3.97Å; F152-F169 HydrophobicContact CD2-CE1 3.97Å; F152-F169 HydrophobicContact CD2-CE2 4.44Å; F152-F169 HydrophobicContact CD2-CG 4.42Å; F152-F169 HydrophobicContact CD2-CZ 4.14Å; F152-F169 VanDerWaalsContact CD2-O 3.22Å; F152-F169 WeakPolarHBondContact CD2-O 3.25Å; F152-F169 HydrophobicContact CE2-CD2 4.49Å; F152-F169 HydrophobicContact CE2-CE1 4.39Å; F152-F169 HydrophobicContact CE2-CE2 4.14Å; F152-F169 HydrophobicContact CE2-CZ 4.09Å; V167-F169 HydrophobicContact CG1-CD1 3.8Å; V167-F169 HydrophobicContact CG1-CE1 4.05Å; F169-V171 HydrophobicContact CD2-CG2 3.68Å; F169-V171 HydrophobicContact CE2-CG2 3.82Å; F169-L177 HydrophobicContact CD2-CD2 3.58Å; F169-L177 HydrophobicContact CE2-CD2 3.6Å; F169-L177 HydrophobicContact CG-CD2 4.42Å; F169-L177 HydrophobicContact CZ-CD2 4.46Å; F169-I190 HydrophobicContact CE1-CG2 4.09Å; F169-I190 HydrophobicContact CZ-CG2 4.33Å; F169-L194 HydrophobicContact CZ-CD1 4.31Å; F169-L194 HydrophobicContact CZ-CD2 4.46Å | ||
| 170 | S | 67.1 | Low | 62.5 | Low | 67 Ų | 67 | 87.9 Ų | 87.9 | 47% | 0.469 | 50% | 0.5 | S | S | . | . | trans | -135.5 | 144.3 | 171.9 | 52.7 | 0 | 0 | 0 | 0 | 108.4 | C149 | C149-S170 WeakPolarHBondContact O-CA 3.24Å; C149-S170 WeakPolarHBondContact O-CB 3.38Å | ||
| 171 | V | 71.5 | Confident | 63.5 | Low | 35 Ų | 35 | 82.7 Ų | 82.7 | 21% | 0.212 | 47% | 0.473 | C | S | . | . | B | Isolated β-bridge | trans | -127.9 | 127.9 | -179.1 | -171.3 | 0 | 0 | 0 | 0 | 108.4 | F169 Q175 L177 | F169-V171 HydrophobicContact CD2-CG2 3.68Å; F169-V171 HydrophobicContact CE2-CG2 3.82Å; V171-Q175 HydrophobicContact CG1-CB 4.04Å; V171-L177 HydrophobicContact CG2-CB 4.37Å; V171-L177 HydrophobicContact CG2-CD2 3.71Å |
| 172 | E | 73.8 | Confident | 64.4 | Low | 120 Ų | 120 | 79.1 Ų | 79.1 | 56% | 0.561 | 47% | 0.468 | S | S | * | . | trans | -87.5 | 152.1 | 173.7 | -56.4 | -171.1 | 153.2 | 0 | 0 | 110.9 | G174 Q175 | E172-G174 PolarHBondContact O-N 3.28Å; E172-Q175 HydrophobicContact CB-CG 4.18Å; E172-Q175 WeakPolarHBondContact O-CB 3.4Å; E172-Q175 PolarHBondContact O-N 3.39Å | ||
| 173 | P | 72.2 | Confident | 65.6 | Low | 97 Ų | 97 | 79.3 Ų | 79.3 | 63% | 0.63 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 133 | 177.3 | -24.1 | 34 | 0 | 0 | 0 | 112.2 | ||
| 174 | G | 70.8 | Confident | 66.1 | Low | 64 Ų | 64 | 76.3 Ų | 76.3 | 66% | 0.66 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | 2.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | E172 | E172-G174 PolarHBondContact O-N 3.28Š|
| 175 | Q | 74.1 | Confident | 67.2 | Low | 103 Ų | 103 | 72.7 Ų | 72.7 | 48% | 0.481 | 46% | 0.458 | S | S | . | . | trans | -88.8 | 137.8 | 174.3 | -66.6 | -178.9 | -19.2 | 0 | 0 | 112 | V171 E172 | V171-Q175 HydrophobicContact CG1-CB 4.04Å; E172-Q175 HydrophobicContact CB-CG 4.18Å; E172-Q175 WeakPolarHBondContact O-CB 3.4Å; E172-Q175 PolarHBondContact O-N 3.39Å | ||
| 176 | L | 76.1 | Confident | 67.9 | Low | 96 Ų | 96 | 71 Ų | 71 | 50% | 0.503 | 45% | 0.452 | S | S | . | . | trans | -89.5 | 115.9 | 166.9 | 177.4 | 65.4 | 0 | 0 | 0 | 109.3 | F310 Y315 | L176-F310 HydrophobicContact CD2-CE2 4.15Å; L176-F310 HydrophobicContact CD2-CZ 3.94Å; L176-Y315 HydrophobicContact CB-CD1 4.34Å; L176-Y315 HydrophobicContact CB-CG 4.27Å; L176-Y315 HydrophobicContact CD2-CG 4.47Å | ||
| 177 | L | 78.5 | Confident | 68.7 | Low | 88 Ų | 88 | 70.4 Ų | 70.4 | 46% | 0.461 | 44% | 0.439 | S | S | . | . | trans | -103.3 | 123.1 | 174.1 | -179.2 | 70.6 | 0 | 0 | 0 | 110.2 | F169 V171 I179 | F169-L177 HydrophobicContact CD2-CD2 3.58Å; F169-L177 HydrophobicContact CE2-CD2 3.6Å; F169-L177 HydrophobicContact CG-CD2 4.42Å; F169-L177 HydrophobicContact CZ-CD2 4.46Å; V171-L177 HydrophobicContact CG2-CB 4.37Å; V171-L177 HydrophobicContact CG2-CD2 3.71Å; L177-I179 HydrophobicContact CD2-CG1 4.41Å | ||
| 178 | A | 78.9 | Confident | 69.4 | Low | 55 Ų | 55 | 70.6 Ų | 70.6 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | trans | -99.6 | 125 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V180 | A178-V180 HydrophobicContact CB-CG2 4.49Š| ||
| 179 | I | 72.7 | Confident | 69.9 | Low | 64 Ų | 64 | 69 Ų | 69 | 33% | 0.328 | 43% | 0.429 | S | S | . | . | trans | -99.2 | 109 | 174.2 | -56.7 | 177.1 | 0 | 0 | 0 | 108.7 | L177 K187 I190 L191 | L177-I179 HydrophobicContact CD2-CG1 4.41Å; I179-K187 HydrophobicContact CG2-CB 4.36Å; I179-K187 HydrophobicContact CG2-CG 4.04Å; I179-I190 HydrophobicContact CD1-CG2 4.1Å; I179-I190 HydrophobicContact CG2-CD1 4.37Å; I179-L191 HydrophobicContact CD1-CD2 4.25Å | ||
| 180 | V | 69.6 | Low | 70.2 | Confident | 97 Ų | 97 | 67.9 Ų | 67.9 | 59% | 0.588 | 43% | 0.425 | S | S | * | . | trans | -110.6 | 144.9 | -177.7 | -169.8 | 0 | 0 | 0 | 0 | 110.2 | A178 | A178-V180 HydrophobicContact CB-CG2 4.49Š| ||
| 181 | G | 62.2 | Low | 70.9 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 26% | 0.258 | 41% | 0.406 | S | S | . | . | trans | 171.8 | 162.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K187 | G181-K187 WeakPolarHBondContact O-CE 3.29Å; G181-K187 PolarHBondContact O-NZ 3.37Å | ||
| 182 | P | 54.3 | Low | 71.4 | Confident | 101 Ų | 101 | 67.4 Ų | 67.4 | 66% | 0.656 | 41% | 0.413 | S | S | * | . | trans | -62.6 | 161.7 | 180 | 24.8 | -31.6 | 0 | 0 | 0 | 112 | G184 S185 | P182-G184 PolarHBondContact O-N 2.94Å; P182-S185 WeakPolarHBondContact O-CB 3.39Å; P182-S185 PolarHBondContact O-N 3.2Å; P182-S185 VanDerWaalsContact O-N 3.09Å; P182-S185 PolarHBondContact O-OG 2.88Å | ||
| 183 | L | 59.2 | Low | 71.5 | Confident | 113 Ų | 113 | 61.7 Ų | 61.7 | 59% | 0.592 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 133.1 | 173.5 | -78.9 | 130.9 | 0 | 0 | 0 | 110.1 | S185 D811 | L183-S185 VanDerWaalsContact C-N 3.33Å; L183-S185 PolarHBondContact O-N 2.74Å; L183-D811 HydrophobicContact CB-CB 4.4Å; L183-D811 HydrophobicContact CD1-CB 3.7Å |
| 184 | G | 57.9 | Low | 71.7 | Confident | 67 Ų | 67 | 58 Ų | 58 | 69% | 0.691 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 3.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | P182 G186 | P182-G184 PolarHBondContact O-N 2.94Å; G184-G186 PolarHBondContact O-N 3.37Å; G184-G186 VanDerWaalsContact O-N 3.12Å |
| 185 | S | 66.2 | Low | 72.2 | Confident | 45 Ų | 45 | 57.4 Ų | 57.4 | 32% | 0.315 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -68.1 | -4.3 | 175.5 | 53.5 | 0 | 0 | 0 | 0 | 115.2 | P182 L183 | P182-S185 WeakPolarHBondContact O-CB 3.39Å; P182-S185 PolarHBondContact O-N 3.2Å; P182-S185 VanDerWaalsContact O-N 3.09Å; P182-S185 PolarHBondContact O-OG 2.88Å; L183-S185 VanDerWaalsContact C-N 3.33Å; L183-S185 PolarHBondContact O-N 2.74Å |
| 186 | G | 66.6 | Low | 72.2 | Confident | 20 Ų | 20 | 55.7 Ų | 55.7 | 21% | 0.206 | 33% | 0.334 | C | S | . | . | S | Bend | trans | 90.7 | 17 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G184 S188 M189 I190 | G184-G186 PolarHBondContact O-N 3.37Å; G184-G186 VanDerWaalsContact O-N 3.12Å; G186-S188 PolarHBondContact O-N 3.3Å; G186-M189 CarbonylContact O-C 3.51Å; G186-M189 WeakPolarHBondContact O-CA 3.2Å; G186-M189 VanDerWaalsContact O-CB 3.31Å; G186-M189 WeakPolarHBondContact O-CB 3.46Å; G186-M189 PolarHBondContact O-N 3Å; G186-I190 PolarHBondContact O-N 3.45Å |
| 187 | K | 74.8 | Confident | 72 | Confident | 68 Ų | 68 | 57.4 Ų | 57.4 | 30% | 0.296 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -51.7 | -54.6 | 178.1 | -61 | 179.5 | -68.9 | -165.5 | 0 | 112.7 | I179 G181 M189 I190 L191 | I179-K187 HydrophobicContact CG2-CB 4.36Å; I179-K187 HydrophobicContact CG2-CG 4.04Å; G181-K187 WeakPolarHBondContact O-CE 3.29Å; G181-K187 PolarHBondContact O-NZ 3.37Å; K187-M189 VanDerWaalsContact C-N 3.26Å; K187-M189 PolarHBondContact O-N 3.18Å; K187-I190 WeakPolarHBondContact O-CB 3.48Å; K187-I190 PolarHBondContact O-N 2.98Å; K187-I190 VanDerWaalsContact O-N 3.14Å; K187-L191 PolarHBondContact O-N 2.85Å |
| 188 | S | 76.2 | Confident | 71.5 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 20% | 0.203 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.5 | -32.3 | 176 | -46.8 | 0 | 0 | 0 | 0 | 112.2 | G186 I190 L191 Q192 D295 | G186-S188 PolarHBondContact O-N 3.3Å; S188-I190 VanDerWaalsContact C-N 3.33Å; S188-I190 PolarHBondContact O-N 3.21Å; S188-L191 PolarHBondContact O-N 2.94Å; S188-Q192 WeakPolarHBondContact O-CG 3.48Å; S188-Q192 PolarHBondContact O-N 3.39Å; S188-D295 WeakPolarHBondContact CB-OD2 3.49Å; S188-D295 PolarHBondContact OG-OD1 2.96Å; S188-D295 PolarHBondContact OG-OD2 3.43Å |
| 189 | M | 75.1 | Confident | 70.8 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 26% | 0.261 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.9 | -35.2 | 175.6 | -170.1 | 171.3 | 69.4 | 0 | 0 | 111.9 | F156 G186 K187 Q192 T193 V198 | F156-M189 HydrophobicContact CD1-CE 3.53Å; F156-M189 HydrophobicContact CD1-CG 4.36Å; F156-M189 HydrophobicContact CD1-SD 3.65Å; F156-M189 HydrophobicContact CD2-CE 3.43Å; F156-M189 VanDerWaalsContact CD2-CE 3.43Å; F156-M189 HydrophobicContact CE1-CE 3.37Å; F156-M189 HydrophobicContact CE1-CG 3.61Å; F156-M189 HydrophobicContact CE1-SD 3.5Å; F156-M189 WeakPolarHBondContact CE1-SD 3.46Å; F156-M189 HydrophobicContact CE2-CE 3.26Å; F156-M189 HydrophobicContact CE2-SD 4.48Å; F156-M189 HydrophobicContact CG-CE 3.57Å; F156-M189 HydrophobicContact CG-SD 4.23Å; F156-M189 HydrophobicContact CZ-CE 3.23Å; F156-M189 HydrophobicContact CZ-CG 3.88Å; F156-M189 HydrophobicContact CZ-SD 3.95Å; G186-M189 CarbonylContact O-C 3.51Å; G186-M189 WeakPolarHBondContact O-CA 3.2Å; G186-M189 VanDerWaalsContact O-CB 3.31Å; G186-M189 WeakPolarHBondContact O-CB 3.46Å; G186-M189 PolarHBondContact O-N 3Å; K187-M189 VanDerWaalsContact C-N 3.26Å; K187-M189 PolarHBondContact O-N 3.18Å; M189-Q192 PolarHBondContact O-N 3.27Å; M189-T193 WeakPolarHBondContact O-CB 3.05Å; M189-T193 PolarHBondContact O-N 2.79Å; M189-T193 PolarHBondContact O-OG1 3.28Å; M189-V198 HydrophobicContact CG-CG1 4.33Å; M189-V198 HydrophobicContact CG-CG2 4.3Å |
| 190 | I | 76.4 | Confident | 70.4 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.092 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 172.4 | -64.3 | 166.3 | 0 | 0 | 0 | 109.8 | V167 F169 I179 G186 K187 S188 T193 L194 | V167-I190 HydrophobicContact CG1-CD1 4.27Å; V167-I190 HydrophobicContact CG2-CD1 4.05Å; V167-I190 HydrophobicContact CG2-CG1 4.36Å; F169-I190 HydrophobicContact CE1-CG2 4.09Å; F169-I190 HydrophobicContact CZ-CG2 4.33Å; I179-I190 HydrophobicContact CD1-CG2 4.1Å; I179-I190 HydrophobicContact CG2-CD1 4.37Å; G186-I190 PolarHBondContact O-N 3.45Å; K187-I190 WeakPolarHBondContact O-CB 3.48Å; K187-I190 PolarHBondContact O-N 2.98Å; K187-I190 VanDerWaalsContact O-N 3.14Å; S188-I190 VanDerWaalsContact C-N 3.33Å; S188-I190 PolarHBondContact O-N 3.21Å; I190-T193 WeakPolarHBondContact O-CB 3.49Å; I190-T193 PolarHBondContact O-N 3.43Å; I190-T193 VanDerWaalsContact O-N 3.15Å; I190-L194 PolarHBondContact O-N 3.03Å |
| 191 | L | 82.6 | Confident | 69.9 | Low | 16 Ų | 16 | 55 Ų | 55 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 177.6 | -60.3 | -179.4 | 0 | 0 | 0 | 112 | I179 K187 S188 T193 L194 L195 L293 D295 | I179-L191 HydrophobicContact CD1-CD2 4.25Å; K187-L191 PolarHBondContact O-N 2.85Å; S188-L191 PolarHBondContact O-N 2.94Å; L191-T193 PolarHBondContact O-N 2.93Å; L191-L194 HydrophobicContact CD2-CD1 4.42Å; L191-L194 WeakPolarHBondContact O-CB 3.34Å; L191-L194 PolarHBondContact O-N 3.14Å; L191-L194 VanDerWaalsContact O-N 3.12Å; L191-L195 WeakPolarHBondContact O-CG 3.48Å; L191-L195 PolarHBondContact O-N 3.48Å; L191-L293 HydrophobicContact CD2-CB 4.44Å; L191-L293 HydrophobicContact CD2-CD2 4.18Å; L191-D295 HydrophobicContact CD1-CB 3.56Å |
| 192 | Q | 80.6 | Confident | 69.7 | Low | 77 Ų | 77 | 60.5 Ų | 60.5 | 36% | 0.36 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.1 | -31 | 174.6 | -70.4 | 175.9 | -9.3 | 0 | 0 | 112.5 | S188 M189 L195 K196 E197 V198 | S188-Q192 WeakPolarHBondContact O-CG 3.48Å; S188-Q192 PolarHBondContact O-N 3.39Å; M189-Q192 PolarHBondContact O-N 3.27Å; Q192-L195 CarbonylContact O-C 3.2Å; Q192-L195 PolarHBondContact O-N 3.02Å; Q192-K196 PolarHBondContact O-N 3.41Å; Q192-K196 VanDerWaalsContact O-N 3.1Å; Q192-E197 HydrophobicContact CB-CB 4.3Å; Q192-E197 PolarHBondContact O-N 2.89Å; Q192-V198 HydrophobicContact CB-CG2 3.7Å; Q192-V198 PolarHBondContact O-N 2.88Å |
| 193 | T | 75.4 | Confident | 70.1 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.1 | -37.6 | 173.7 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | I154 M189 I190 L191 L195 K196 V205 | I154-T193 HydrophobicContact CD1-CG2 3.64Å; I154-T193 HydrophobicContact CG1-CG2 4.09Å; I154-T193 HydrophobicContact CG2-CG2 4.22Å; M189-T193 WeakPolarHBondContact O-CB 3.05Å; M189-T193 PolarHBondContact O-N 2.79Å; M189-T193 PolarHBondContact O-OG1 3.28Å; I190-T193 WeakPolarHBondContact O-CB 3.49Å; I190-T193 PolarHBondContact O-N 3.43Å; I190-T193 VanDerWaalsContact O-N 3.15Å; L191-T193 PolarHBondContact O-N 2.93Å; T193-L195 VanDerWaalsContact C-N 3.33Å; T193-K196 WeakPolarHBondContact O-CA 3.44Å; T193-K196 PolarHBondContact O-N 2.92Å; T193-V205 HydrophobicContact CG2-CG2 4.16Å |
| 194 | L | 78.1 | Confident | 70.4 | Confident | 20 Ų | 20 | 59 Ų | 59 | 11% | 0.105 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.4 | -35.9 | 172.7 | -67.3 | 174.2 | 0 | 0 | 0 | 112.2 | F152 F169 I190 L191 K196 V205 V207 L293 | F152-L194 HydrophobicContact CE1-CD2 4.18Å; F152-L194 HydrophobicContact CE2-CD2 4.35Å; F152-L194 HydrophobicContact CZ-CD2 3.88Å; F169-L194 HydrophobicContact CZ-CD1 4.31Å; F169-L194 HydrophobicContact CZ-CD2 4.46Å; I190-L194 PolarHBondContact O-N 3.03Å; L191-L194 HydrophobicContact CD2-CD1 4.42Å; L191-L194 WeakPolarHBondContact O-CB 3.34Å; L191-L194 PolarHBondContact O-N 3.14Å; L191-L194 VanDerWaalsContact O-N 3.12Å; L194-K196 PolarHBondContact O-N 3.32Å; L194-V205 HydrophobicContact CD2-CG1 4.27Å; L194-V207 HydrophobicContact CD2-CG2 4.09Å; L194-L293 HydrophobicContact CB-CD1 4.06Å; L194-L293 HydrophobicContact CD1-CD1 4.46Å; L194-L293 HydrophobicContact CD1-CD2 3.98Å |
| 195 | L | 81.6 | Confident | 70.8 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -9.1 | 171.5 | -66.9 | 171.3 | 0 | 0 | 0 | 113.3 | L191 Q192 T193 E197 I211 Y213 L293 | L191-L195 WeakPolarHBondContact O-CG 3.48Å; L191-L195 PolarHBondContact O-N 3.48Å; Q192-L195 CarbonylContact O-C 3.2Å; Q192-L195 PolarHBondContact O-N 3.02Å; T193-L195 VanDerWaalsContact C-N 3.33Å; L195-E197 HydrophobicContact CB-CG 4.17Å; L195-E197 PolarHBondContact O-N 3.24Å; L195-I211 HydrophobicContact CD2-CD1 4.44Å; L195-I211 HydrophobicContact CD2-CG2 3.93Å; L195-Y213 HydrophobicContact CD1-CD1 3.78Å; L195-Y213 HydrophobicContact CD1-CD2 3.81Å; L195-Y213 HydrophobicContact CD1-CE1 3.93Å; L195-Y213 HydrophobicContact CD1-CE2 3.96Å; L195-Y213 HydrophobicContact CD1-CG 3.71Å; L195-L293 HydrophobicContact CD2-CD1 3.94Å; L195-L293 HydrophobicContact CG-CD1 3.98Å |
| 196 | K | 73 | Confident | 71 | Confident | 67 Ų | 67 | 56.5 Ų | 56.5 | 29% | 0.291 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 22.5 | -174.3 | -55 | 179.9 | 176 | 178.8 | 0 | 114.8 | Q192 T193 L194 | Q192-K196 PolarHBondContact O-N 3.41Å; Q192-K196 VanDerWaalsContact O-N 3.1Å; T193-K196 WeakPolarHBondContact O-CA 3.44Å; T193-K196 PolarHBondContact O-N 2.92Å; L194-K196 PolarHBondContact O-N 3.32Å |
| 197 | E | 72.6 | Confident | 71.1 | Confident | 133 Ų | 133 | 56.4 Ų | 56.4 | 62% | 0.621 | 29% | 0.294 | S | S | * | . | trans | -76.5 | -29.2 | 172.5 | -71.6 | -69 | 155.9 | 0 | 0 | 111.9 | Q192 L195 | Q192-E197 HydrophobicContact CB-CB 4.3Å; Q192-E197 PolarHBondContact O-N 2.89Å; L195-E197 HydrophobicContact CB-CG 4.17Å; L195-E197 PolarHBondContact O-N 3.24Å | ||
| 198 | V | 67.8 | Low | 70.9 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 20% | 0.2 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -102.2 | 120.9 | 176.4 | 177.3 | 0 | 0 | 0 | 0 | 110 | F156 M189 Q192 H200 | F156-V198 HydrophobicContact CD1-CG1 4.05Å; F156-V198 HydrophobicContact CE1-CG1 3.77Å; M189-V198 HydrophobicContact CG-CG1 4.33Å; M189-V198 HydrophobicContact CG-CG2 4.3Å; Q192-V198 HydrophobicContact CB-CG2 3.7Å; Q192-V198 PolarHBondContact O-N 2.88Å; V198-H200 PolarHBondContact O-N 3.02Å |
| 199 | V | 64.2 | Low | 70.7 | Confident | 84 Ų | 84 | 55.9 Ų | 55.9 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 125.7 | 174.7 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | ||
| 200 | H | 63.6 | Low | 70.9 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 11% | 0.106 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -103.8 | 138.9 | 171.8 | 55.6 | -81.4 | 0 | 0 | 0 | 109.5 | I154 V198 G203 | I154-H200 HydrophobicContact CG2-CB 3.75Å; V198-H200 PolarHBondContact O-N 3.02Å; H200-G203 PolarHBondContact NE2-O 2.74Å |
| 201 | N | 60.1 | Low | 71.3 | Confident | 114 Ų | 114 | 61.5 Ų | 61.5 | 61% | 0.61 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -80.6 | -28.7 | -177.1 | -84.3 | 25.2 | 0 | 0 | 0 | 112.8 | F155 A157 | F155-N201 PolarHBondContact O-N 2.84Å; A157-N201 HydrophobicContact CB-CB 4.05Å; A157-N201 WeakPolarHBondContact CB-ND2 3.5Å |
| 202 | K | 58.1 | Low | 71.5 | Confident | 140 Ų | 140 | 60.7 Ų | 60.7 | 61% | 0.609 | 32% | 0.317 | S | S | * | . | B | Isolated β-bridge | trans | -142.9 | 148.3 | 178.2 | -63.8 | 179 | -179.9 | -178.6 | 0 | 108.9 | T153 F155 | T153-K202 CarbonylContact O-C 3.53Å; F155-K202 HydrophobicContact CB-CB 3.99Å; F155-K202 HydrophobicContact CD2-CB 3.41Å; F155-K202 VanDerWaalsContact CD2-CB 3.41Å; F155-K202 HydrophobicContact CD2-CD 4.19Å; F155-K202 HydrophobicContact CD2-CG 4.4Å; F155-K202 HydrophobicContact CE2-CB 4.14Å; F155-K202 HydrophobicContact CE2-CD 4.48Å; F155-K202 HydrophobicContact CG-CB 3.99Å; F155-K202 HydrophobicContact CG-CD 4.41Å; F155-K202 PolarHBondContact N-O 2.98Å |
| 203 | G | 62.9 | Low | 72 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | trans | 119.5 | 162.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T153 H200 | T153-G203 WeakPolarHBondContact O-CA 3.3Å; T153-G203 PolarHBondContact O-N 2.72Å; H200-G203 PolarHBondContact NE2-O 2.74Å | ||
| 204 | E | 65.3 | Low | 72.6 | Confident | 141 Ų | 141 | 60.4 Ų | 60.4 | 66% | 0.659 | 31% | 0.313 | S | S | * | . | trans | -120 | 136.4 | 166.4 | -173.4 | 176.4 | -179.5 | 0 | 0 | 107.3 | F152 V206 | F152-E204 VanDerWaalsContact CD1-O 3.31Å; F152-E204 WeakPolarHBondContact CD1-O 3.34Å; E204-V206 HydrophobicContact CG-CG2 3.89Å | ||
| 205 | V | 66.6 | Low | 73.1 | Confident | 15 Ų | 15 | 61.1 Ų | 61.1 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | trans | -116.5 | 104 | 174.9 | 175.4 | 0 | 0 | 0 | 0 | 109.1 | F152 I154 T193 L194 V207 | F152-V205 HydrophobicContact CD1-CB 4.08Å; F152-V205 HydrophobicContact CD1-CG1 4.23Å; F152-V205 HydrophobicContact CD1-CG2 3.77Å; F152-V205 VanDerWaalsContact CE1-CA 3.48Å; F152-V205 HydrophobicContact CE1-CB 3.88Å; F152-V205 HydrophobicContact CE1-CG1 3.64Å; F152-V205 HydrophobicContact CE1-CG2 4.05Å; I154-V205 HydrophobicContact CG1-CG2 4.5Å; T193-V205 HydrophobicContact CG2-CG2 4.16Å; L194-V205 HydrophobicContact CD2-CG1 4.27Å; V205-V207 HydrophobicContact CG1-CG2 3.98Å | ||
| 206 | V | 68.8 | Low | 73 | Confident | 44 Ų | 44 | 63.5 Ų | 63.5 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | trans | -102.8 | 110.8 | 176.6 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | C149 E204 | C149-V206 PolarHBondContact SG-O 3.49Å; E204-V206 HydrophobicContact CG-CG2 3.89Å | ||
| 207 | V | 70.3 | Confident | 73.3 | Confident | 18 Ų | 18 | 68.5 Ų | 68.5 | 11% | 0.109 | 35% | 0.353 | C | S | . | . | trans | -123.7 | 121.7 | 173.2 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | L194 V205 I211 I291 | L194-V207 HydrophobicContact CD2-CG2 4.09Å; V205-V207 HydrophobicContact CG1-CG2 3.98Å; V207-I211 HydrophobicContact CG1-CD1 3.71Å; V207-I211 HydrophobicContact CG1-CG1 4.16Å; V207-I291 HydrophobicContact CG1-CD1 3.43Å; V207-I291 VanDerWaalsContact CG1-CD1 3.43Å | ||
| 208 | N | 69.8 | Low | 73.8 | Confident | 45 Ų | 45 | 63.6 Ų | 63.6 | 24% | 0.241 | 34% | 0.335 | C | S | . | . | trans | -119.9 | 114.9 | 180 | -74.4 | -23.1 | 0 | 0 | 0 | 109.1 | F146 | F146-N208 PolarHBondContact O-ND2 3.02Š| ||
| 209 | G | 73 | Confident | 74.7 | Confident | 40 Ų | 40 | 68.5 Ų | 68.5 | 41% | 0.412 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 136.7 | 166.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | D290 | G209-D290 WeakPolarHBondContact CA-OD2 3.5Š|
| 210 | R | 79.3 | Confident | 75.8 | Confident | 145 Ų | 145 | 64.6 Ų | 64.6 | 55% | 0.547 | 33% | 0.326 | S | S | . | . | trans | -73.1 | 137.1 | 168.1 | -66.2 | 180 | -66.2 | 165.9 | 6.9 | 108.7 | D288 A289 D290 I291 | R210-D288 PolarHBondContact NH2-O 2.83Å; R210-A289 HydrophobicContact CB-CB 4.38Å; R210-A289 WeakPolarHBondContact O-CB 3.2Å; R210-D290 PolarHBondContact N-OD2 2.77Å; R210-D290 PolarHBondContact O-N 3.1Å; R210-I291 PolarHBondContact O-N 2.78Å | ||
| 211 | I | 83.5 | Confident | 76.8 | Confident | 44 Ų | 44 | 65.8 Ų | 65.8 | 23% | 0.226 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 131.1 | 179.7 | -54.1 | 172.7 | 0 | 0 | 0 | 108.8 | L195 V207 Q287 I291 L293 | L195-I211 HydrophobicContact CD2-CD1 4.44Å; L195-I211 HydrophobicContact CD2-CG2 3.93Å; V207-I211 HydrophobicContact CG1-CD1 3.71Å; V207-I211 HydrophobicContact CG1-CG1 4.16Å; I211-Q287 PolarHBondContact O-NE2 3.27Å; I211-I291 CarbonylContact C-O 3.58Å; I211-I291 WeakPolarHBondContact CA-O 3.02Å; I211-I291 HydrophobicContact CG1-CB 4.32Å; I211-I291 HydrophobicContact CG1-CD1 4.48Å; I211-L293 HydrophobicContact CG2-CD1 3.73Å; I211-L293 HydrophobicContact CG2-CG 3.81Å |
| 212 | A | 87.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 134.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | A284 Q287 A289 I291 Y292 L293 | A212-A284 HydrophobicContact CB-CB 4.15Å; A212-Q287 HydrophobicContact CB-CB 4.49Å; A212-A289 HydrophobicContact CB-CB 3.46Å; A212-A289 VanDerWaalsContact CB-CB 3.46Å; A212-A289 VanDerWaalsContact N-CB 3.25Å; A212-I291 PolarHBondContact N-O 3.09Å; A212-Y292 HydrophobicContact CB-CD1 3.74Å; A212-Y292 HydrophobicContact CB-CE1 3.81Å; A212-Y292 HydrophobicContact CB-CG 4.44Å; A212-Y292 WeakPolarHBondContact O-CA 3.31Å; A212-L293 PolarHBondContact O-N 3.41Å |
| 213 | Y | 90 | Very high | 79.1 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 27% | 0.271 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 129.1 | -177.4 | 176 | -121.5 | 0 | 0 | 0 | 110.8 | L195 P215 L293 D295 | L195-Y213 HydrophobicContact CD1-CD1 3.78Å; L195-Y213 HydrophobicContact CD1-CD2 3.81Å; L195-Y213 HydrophobicContact CD1-CE1 3.93Å; L195-Y213 HydrophobicContact CD1-CE2 3.96Å; L195-Y213 HydrophobicContact CD1-CG 3.71Å; Y213-P215 HydrophobicContact CD1-CB 4.39Å; Y213-P215 HydrophobicContact CE1-CB 3.64Å; Y213-P215 HydrophobicContact CE1-CG 4.41Å; Y213-L293 WeakPolarHBondContact CA-O 3.47Å; Y213-L293 HydrophobicContact CD2-CB 3.84Å; Y213-L293 WeakPolarHBondContact CD2-O 3.37Å; Y213-D295 HydrophobicContact CE2-CB 4.08Å |
| 214 | V | 89.7 | Confident | 80.3 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 109.4 | 168.7 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | N280 L281 A284 L293 L294 D295 P297 | V214-N280 HydrophobicContact CG1-CB 4.41Å; V214-L281 HydrophobicContact CG2-CD1 4.13Å; V214-A284 HydrophobicContact CG2-CB 3.34Å; V214-L293 PolarHBondContact N-O 3.43Å; V214-L294 HydrophobicContact CB-CD2 3.82Å; V214-L294 HydrophobicContact CG2-CD2 3.46Å; V214-L294 VanDerWaalsContact CG2-CD2 3.46Å; V214-D295 WeakPolarHBondContact O-CB 3.3Å; V214-D295 PolarHBondContact O-N 2.96Å; V214-P297 HydrophobicContact CG1-CB 4.16Å |
| 215 | P | 86.9 | Confident | 81.5 | Confident | 34 Ų | 34 | 49.6 Ų | 49.6 | 22% | 0.221 | 25% | 0.251 | C | S | . | . | trans | -72.5 | 153.7 | 178.3 | 29 | -34.1 | 0 | 0 | 0 | 112.1 | Y213 E217 | Y213-P215 HydrophobicContact CD1-CB 4.39Å; Y213-P215 HydrophobicContact CE1-CB 3.64Å; Y213-P215 HydrophobicContact CE1-CG 4.41Å; P215-E217 WeakPolarHBondContact CG-O 3.41Å; P215-E217 PolarHBondContact O-N 3.15Å | ||
| 216 | Q | 81 | Confident | 82.7 | Confident | 101 Ų | 101 | 52.5 Ų | 52.5 | 47% | 0.472 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -57.2 | -47.1 | 173.9 | -174.3 | -179.5 | 10.2 | 0 | 0 | 111.9 | D295 D296 | Q216-D295 WeakPolarHBondContact CA-O 3.38Å; Q216-D295 HydrophobicContact CB-CB 4.31Å; Q216-D295 PolarHBondContact N-O 2.99Å; Q216-D296 HydrophobicContact CG-CB 4.41Å |
| 217 | E | 78.3 | Confident | 83.8 | Confident | 171 Ų | 171 | 55.2 Ų | 55.2 | 80% | 0.799 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -88.3 | 112.1 | 171.3 | -71.5 | -172.3 | -179 | 0 | 0 | 110.2 | P215 W219 | P215-E217 WeakPolarHBondContact CG-O 3.41Å; P215-E217 PolarHBondContact O-N 3.15Å; E217-W219 PolarHBondContact O-N 3.23Å |
| 218 | A | 83.5 | Confident | 84.9 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 25% | 0.248 | 27% | 0.265 | C | S | . | . | trans | -67.2 | 108.5 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | K276 N280 | A218-K276 HydrophobicContact CB-CB 3.59Å; A218-N280 WeakPolarHBondContact CA-ND2 3.41Å | ||
| 219 | W | 87.2 | Confident | 86 | Confident | 137 Ų | 137 | 52.3 Ų | 52.3 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | trans | -93.7 | 122.4 | 176.3 | -179.6 | 81.5 | 0 | 0 | 0 | 114.1 | E217 F221 F231 N280 R283 | E217-W219 PolarHBondContact O-N 3.23Å; W219-F221 HydrophobicContact CH2-CB 3.83Å; W219-F221 HydrophobicContact CH2-CD1 4.29Å; W219-F221 HydrophobicContact CH2-CG 4.5Å; W219-F221 HydrophobicContact CZ2-CB 3.92Å; W219-F221 HydrophobicContact CZ3-CD1 4.36Å; W219-F231 HydrophobicContact CH2-CE2 4.45Å; W219-F231 AromaticContact CZ3-CE2 3.84Å; W219-F231 HydrophobicContact CZ3-CE2 3.84Å; W219-F231 HydrophobicContact CZ3-CZ 4.25Å; W219-N280 PolarHBondContact N-ND2 2.88Å; W219-N280 PolarHBondContact O-ND2 2.77Å; W219-N280 PolarHBondContact O-OD1 2.83Å; W219-R283 PolarHBondContact O-NH1 2.86Å; W219-R283 PolarHBondContact O-NH2 2.92Å | ||
| 220 | L | 87.2 | Confident | 87 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | trans | -119.5 | 144.2 | 173.5 | -58.3 | 179.1 | 0 | 0 | 0 | 109.8 | N228 I264 L271 K276 I279 N280 | L220-N228 WeakPolarHBondContact CA-OD1 3.03Å; L220-N228 HydrophobicContact CD2-CB 4.38Å; L220-I264 HydrophobicContact CD1-CD1 4.07Å; L220-I264 HydrophobicContact CD1-CG2 4.25Å; L220-L271 HydrophobicContact CD1-CD1 3.78Å; L220-K276 HydrophobicContact CD1-CB 4.24Å; L220-K276 HydrophobicContact CD1-CG 3.95Å; L220-I279 HydrophobicContact CD1-CD1 4.12Å; L220-I279 HydrophobicContact CD2-CB 4.02Å; L220-I279 HydrophobicContact CD2-CG2 3.47Å; L220-I279 VanDerWaalsContact CD2-CG2 3.47Å; L220-N280 WeakPolarHBondContact CD2-OD1 3.43Å | ||
| 221 | F | 84.4 | Confident | 87.6 | Confident | 49 Ų | 49 | 49.7 Ų | 49.7 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | trans | -99.9 | 156.5 | 175.9 | 66.7 | -93 | 0 | 0 | 0 | 111.2 | W219 G223 Q227 N228 F231 | W219-F221 HydrophobicContact CH2-CB 3.83Å; W219-F221 HydrophobicContact CH2-CD1 4.29Å; W219-F221 HydrophobicContact CH2-CG 4.5Å; W219-F221 HydrophobicContact CZ2-CB 3.92Å; W219-F221 HydrophobicContact CZ3-CD1 4.36Å; F221-G223 PolarHBondContact O-N 2.98Å; F221-Q227 HydrophobicContact CE2-CB 4.22Å; F221-Q227 HydrophobicContact CZ-CB 4.09Å; F221-Q227 VanDerWaalsContact CZ-O 3.31Å; F221-Q227 WeakPolarHBondContact CZ-O 3.4Å; F221-N228 VanDerWaalsContact CD1-OD1 3.26Å; F221-N228 WeakPolarHBondContact CD1-OD1 3.16Å; F221-N228 HydrophobicContact CE1-CB 4.29Å; F221-N228 PolarHBondContact N-OD1 2.93Å; F221-N228 PolarHBondContact O-ND2 3.26Å; F221-N228 PolarHBondContact O-OD1 3.46Å; F221-F231 HydrophobicContact CD1-CD2 4.23Å; F221-F231 HydrophobicContact CD1-CE2 4.05Å; F221-F231 AromaticContact CE1-CD2 3.69Å; F221-F231 HydrophobicContact CE1-CD2 3.69Å; F221-F231 AromaticContact CE1-CE2 3.96Å; F221-F231 HydrophobicContact CE1-CE2 3.96Å | ||
| 222 | P | 81.7 | Confident | 87.8 | Confident | 70 Ų | 70 | 51.6 Ų | 51.6 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -59 | 120.9 | 176.5 | -21.6 | 31.6 | 0 | 0 | 0 | 111.8 | I264 D266 | P222-I264 WeakPolarHBondContact CA-O 3.5Å; P222-D266 HydrophobicContact CG-CB 4.45Å |
| 223 | G | 83.6 | Confident | 87.9 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.5 | -173.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F221 I264 | F221-G223 PolarHBondContact O-N 2.98Å; G223-I264 PolarHBondContact N-O 2.94Å; G223-I264 VanDerWaalsContact N-O 3.14Å; G223-I264 WeakPolarHBondContact O-CB 3.43Å; G223-I264 PolarHBondContact O-N 3.3Å |
| 224 | T | 88.8 | Confident | 87.8 | Confident | 22 Ų | 22 | 59.3 Ų | 59.3 | 14% | 0.135 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 161.8 | 176.2 | 64.9 | 0 | 0 | 0 | 0 | 111.9 | R226 Q227 N228 T262 V263 | T224-R226 PolarHBondContact O-N 3.21Å; T224-Q227 PolarHBondContact O-N 3.46Å; T224-Q227 VanDerWaalsContact OG1-CG 3.32Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.37Å; T224-Q227 PolarHBondContact OG1-N 3.38Å; T224-N228 PolarHBondContact O-N 2.79Å; T224-N228 PolarHBondContact O-ND2 3.03Å; T224-T262 WeakPolarHBondContact CA-O 3.13Å; T224-V263 HydrophobicContact CG2-CG2 4.3Å |
| 225 | I | 90.1 | Very high | 87.8 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.8 | -43.1 | 170.7 | -65 | 169.4 | 0 | 0 | 0 | 109.9 | Q227 N228 V229 L249 L253 L256 D260 T262 I264 I279 | I225-Q227 PolarHBondContact O-N 3.41Å; I225-N228 WeakPolarHBondContact O-CB 3.48Å; I225-N228 PolarHBondContact O-N 2.96Å; I225-N228 VanDerWaalsContact O-N 3.11Å; I225-V229 HydrophobicContact CG2-CG2 4.36Å; I225-V229 WeakPolarHBondContact O-CG2 3.23Å; I225-V229 PolarHBondContact O-N 3.5Å; I225-L249 HydrophobicContact CG2-CD2 4.06Å; I225-L253 HydrophobicContact CD1-CD2 3.91Å; I225-L253 HydrophobicContact CG2-CD2 4.09Å; I225-L256 HydrophobicContact CD1-CD1 3.2Å; I225-D260 WeakPolarHBondContact CB-O 3.39Å; I225-D260 PolarHBondContact N-O 3.27Å; I225-T262 PolarHBondContact N-O 2.95Å; I225-I264 HydrophobicContact CB-CD1 4.25Å; I225-I264 HydrophobicContact CG1-CD1 3.45Å; I225-I264 VanDerWaalsContact CG1-CD1 3.45Å; I225-I264 HydrophobicContact CG1-CG1 3.81Å; I225-I279 HydrophobicContact CD1-CD1 4.49Å; I225-I279 HydrophobicContact CG1-CD1 4.22Å; I225-I279 HydrophobicContact CG2-CD1 4.19Å; I225-I279 HydrophobicContact CG2-CG1 4.12Å |
| 226 | R | 92.2 | Very high | 87.9 | Confident | 77 Ų | 77 | 65.2 Ų | 65.2 | 29% | 0.291 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -54.4 | -51.9 | 174.6 | -174.8 | -177 | -60.6 | 177.5 | 3.9 | 112.3 | T224 N228 V229 L230 Y240 D260 | T224-R226 PolarHBondContact O-N 3.21Å; R226-N228 VanDerWaalsContact C-N 3.26Å; R226-N228 PolarHBondContact O-N 3.43Å; R226-V229 PolarHBondContact O-N 3.25Å; R226-L230 HydrophobicContact CG-CD1 3.75Å; R226-L230 HydrophobicContact CG-CG 4.18Å; R226-L230 WeakPolarHBondContact O-CB 3.2Å; R226-L230 VanDerWaalsContact O-CG 3.3Å; R226-L230 WeakPolarHBondContact O-CG 3.49Å; R226-L230 PolarHBondContact O-N 3.48Å; R226-Y240 WeakPolarHBondContact CA-OH 3.36Å; R226-Y240 HydrophobicContact CG-CE2 4.22Å; R226-D260 HydrophobicContact CB-CB 4.48Å; R226-D260 IonicContact CZ-OD1 3.42Å; R226-D260 IonicContact CZ-OD2 3.14Å; R226-D260 VanDerWaalsContact CZ-OD2 3.28Å; R226-D260 PolarHBondContact N-O 2.9Å; R226-D260 IonicContact NE-OD2 3.53Å; R226-D260 PolarHBondContact NE-OD2 3.23Å; R226-D260 IonicContact NH2-OD1 2.96Å; R226-D260 PolarHBondContact NH2-OD1 3.22Å; R226-D260 IonicContact NH2-OD2 3.46Å; R226-D260 PolarHBondContact NH2-OD2 3.05Å |
| 227 | Q | 92.3 | Very high | 88.2 | Confident | 101 Ų | 101 | 64.7 Ų | 64.7 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.3 | -40 | 177.4 | -76.1 | 170.1 | -20.8 | 0 | 0 | 111.7 | F221 T224 I225 V229 F231 | F221-Q227 HydrophobicContact CE2-CB 4.22Å; F221-Q227 HydrophobicContact CZ-CB 4.09Å; F221-Q227 VanDerWaalsContact CZ-O 3.31Å; F221-Q227 WeakPolarHBondContact CZ-O 3.4Å; T224-Q227 PolarHBondContact O-N 3.46Å; T224-Q227 VanDerWaalsContact OG1-CG 3.32Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.37Å; T224-Q227 PolarHBondContact OG1-N 3.38Å; I225-Q227 PolarHBondContact O-N 3.41Å; Q227-V229 VanDerWaalsContact C-N 3.34Å; Q227-V229 PolarHBondContact O-N 3.05Å; Q227-F231 PolarHBondContact O-N 2.81Å |
| 228 | N | 92.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 177.6 | -89.3 | -87.8 | 0 | 0 | 0 | 113.2 | L220 F221 T224 I225 R226 I264 I279 R283 | L220-N228 WeakPolarHBondContact CA-OD1 3.03Å; L220-N228 HydrophobicContact CD2-CB 4.38Å; F221-N228 VanDerWaalsContact CD1-OD1 3.26Å; F221-N228 WeakPolarHBondContact CD1-OD1 3.16Å; F221-N228 HydrophobicContact CE1-CB 4.29Å; F221-N228 PolarHBondContact N-OD1 2.93Å; F221-N228 PolarHBondContact O-ND2 3.26Å; F221-N228 PolarHBondContact O-OD1 3.46Å; T224-N228 PolarHBondContact O-N 2.79Å; T224-N228 PolarHBondContact O-ND2 3.03Å; I225-N228 WeakPolarHBondContact O-CB 3.48Å; I225-N228 PolarHBondContact O-N 2.96Å; I225-N228 VanDerWaalsContact O-N 3.11Å; R226-N228 VanDerWaalsContact C-N 3.26Å; R226-N228 PolarHBondContact O-N 3.43Å; N228-I264 HydrophobicContact CB-CD1 4.47Å; N228-I279 HydrophobicContact CB-CG2 4.05Å; N228-R283 PolarHBondContact O-NE 3.01Å; N228-R283 PolarHBondContact O-NH2 2.88Å; N228-R283 PolarHBondContact OD1-NH2 3.44Å; N228-R283 VanDerWaalsContact OD1-NH2 3.09Å |
| 229 | V | 93 | Very high | 88.8 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -76.1 | -45.8 | 176.9 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | I225 R226 Q227 F231 Y240 I279 A282 Y286 | I225-V229 HydrophobicContact CG2-CG2 4.36Å; I225-V229 WeakPolarHBondContact O-CG2 3.23Å; I225-V229 PolarHBondContact O-N 3.5Å; R226-V229 PolarHBondContact O-N 3.25Å; Q227-V229 VanDerWaalsContact C-N 3.34Å; Q227-V229 PolarHBondContact O-N 3.05Å; V229-F231 VanDerWaalsContact C-N 3.32Å; V229-F231 PolarHBondContact O-N 3.44Å; V229-Y240 HydrophobicContact CB-CE2 3.86Å; V229-Y240 HydrophobicContact CG1-CD2 3.87Å; V229-Y240 HydrophobicContact CG1-CE2 3.65Å; V229-I279 HydrophobicContact CG2-CG2 4.08Å; V229-A282 HydrophobicContact CG1-CB 4.08Å; V229-A282 HydrophobicContact CG2-CB 3.92Å; V229-Y286 HydrophobicContact CG1-CG 4.36Å |
| 230 | L | 93.5 | Very high | 88.9 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 11% | 0.105 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.3 | -32.6 | -179.6 | -65.9 | 179.1 | 0 | 0 | 0 | 112.9 | R226 G232 Q233 M235 Y240 Y286 | R226-L230 HydrophobicContact CG-CD1 3.75Å; R226-L230 HydrophobicContact CG-CG 4.18Å; R226-L230 WeakPolarHBondContact O-CB 3.2Å; R226-L230 VanDerWaalsContact O-CG 3.3Å; R226-L230 WeakPolarHBondContact O-CG 3.49Å; R226-L230 PolarHBondContact O-N 3.48Å; L230-G232 VanDerWaalsContact C-N 3.26Å; L230-G232 PolarHBondContact O-N 3.45Å; L230-Q233 WeakPolarHBondContact O-CB 3.32Å; L230-Q233 PolarHBondContact O-N 3.01Å; L230-M235 HydrophobicContact CD1-CB 3.92Å; L230-M235 HydrophobicContact CD1-CG 4.32Å; L230-M235 HydrophobicContact CD2-CB 4.09Å; L230-M235 HydrophobicContact CD2-CG 4.13Å; L230-Y240 HydrophobicContact CD2-CD2 3.86Å; L230-Y240 HydrophobicContact CD2-CE2 4.32Å; L230-Y240 HydrophobicContact CG-CD2 4.48Å; L230-Y240 HydrophobicContact CG-CE2 4.46Å; L230-Y286 HydrophobicContact CD2-CD1 4.09Å; L230-Y286 HydrophobicContact CD2-CE1 3.36Å; L230-Y286 HydrophobicContact CD2-CE2 4.07Å; L230-Y286 WeakPolarHBondContact CD2-OH 3.48Å |
| 231 | F | 92.2 | Very high | 89 | Confident | 110 Ų | 110 | 67.4 Ų | 67.4 | 48% | 0.482 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 42.1 | 177 | -155.5 | -105.6 | 0 | 0 | 0 | 114.2 | W219 F221 Q227 V229 R283 | W219-F231 HydrophobicContact CH2-CE2 4.45Å; W219-F231 AromaticContact CZ3-CE2 3.84Å; W219-F231 HydrophobicContact CZ3-CE2 3.84Å; W219-F231 HydrophobicContact CZ3-CZ 4.25Å; F221-F231 HydrophobicContact CD1-CD2 4.23Å; F221-F231 HydrophobicContact CD1-CE2 4.05Å; F221-F231 AromaticContact CE1-CD2 3.69Å; F221-F231 HydrophobicContact CE1-CD2 3.69Å; F221-F231 AromaticContact CE1-CE2 3.96Å; F221-F231 HydrophobicContact CE1-CE2 3.96Å; Q227-F231 PolarHBondContact O-N 2.81Å; V229-F231 VanDerWaalsContact C-N 3.32Å; V229-F231 PolarHBondContact O-N 3.44Å; F231-R283 HydrophobicContact CB-CG 3.97Å; F231-R283 HydrophobicContact CD2-CG 4.46Å; F231-R283 HydrophobicContact CG-CG 4.3Å |
| 232 | G | 88.1 | Confident | 89.1 | Confident | 84 Ų | 84 | 68.7 Ų | 68.7 | 87% | 0.866 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 3.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L230 | L230-G232 VanDerWaalsContact C-N 3.26Å; L230-G232 PolarHBondContact O-N 3.45Å |
| 233 | Q | 89 | Confident | 89.5 | Confident | 77 Ų | 77 | 65.4 Ų | 65.4 | 36% | 0.36 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -84.1 | 154.6 | 168.8 | -59.6 | -175 | -0.4 | 0 | 0 | 111.2 | L230 Y286 | L230-Q233 WeakPolarHBondContact O-CB 3.32Å; L230-Q233 PolarHBondContact O-N 3.01Å; Q233-Y286 HydrophobicContact CB-CE1 4.07Å |
| 234 | D | 89.3 | Confident | 89.8 | Confident | 155 Ų | 155 | 65.7 Ų | 65.7 | 83% | 0.829 | 33% | 0.333 | S | S | * | . | trans | -67.9 | 145.1 | 173.1 | -64.7 | -44.8 | 0 | 0 | 0 | 110.8 | D236 Y286 | D234-D236 PolarHBondContact O-N 2.98Å; D234-D236 VanDerWaalsContact O-N 3.13Å; D234-Y286 PolarHBondContact O-OH 3.35Å | ||
| 235 | M | 88.8 | Confident | 89.7 | Confident | 78 Ų | 78 | 70.8 Ų | 70.8 | 38% | 0.384 | 36% | 0.356 | S | S | . | . | trans | -78.2 | 98.7 | -175.6 | -172.9 | 175.8 | -173.9 | 0 | 0 | 112.1 | L230 Y240 Y286 | L230-M235 HydrophobicContact CD1-CB 3.92Å; L230-M235 HydrophobicContact CD1-CG 4.32Å; L230-M235 HydrophobicContact CD2-CB 4.09Å; L230-M235 HydrophobicContact CD2-CG 4.13Å; M235-Y240 HydrophobicContact CE-CD1 3.45Å; M235-Y240 VanDerWaalsContact CE-CD1 3.45Å; M235-Y240 HydrophobicContact CE-CE1 3.72Å; M235-Y240 HydrophobicContact CE-CG 3.89Å; M235-Y286 WeakPolarHBondContact CA-OH 3.27Å | ||
| 236 | D | 88.9 | Confident | 89.5 | Confident | 82 Ų | 82 | 72 Ų | 72 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | trans | -76.7 | 116.1 | 155.9 | -175.2 | -30.6 | 0 | 0 | 0 | 110.1 | D234 E238 R239 Y240 Y286 | D234-D236 PolarHBondContact O-N 2.98Å; D234-D236 VanDerWaalsContact O-N 3.13Å; D236-E238 PolarHBondContact OD1-N 2.86Å; D236-R239 HydrophobicContact CB-CB 3.96Å; D236-R239 PolarHBondContact OD1-N 3.14Å; D236-Y240 WeakPolarHBondContact O-CB 3.3Å; D236-Y240 PolarHBondContact O-N 3.33Å; D236-Y286 PolarHBondContact N-OH 2.95Å | ||
| 237 | V | 88 | Confident | 89.3 | Confident | 89 Ų | 89 | 68.3 Ų | 68.3 | 54% | 0.539 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | -174.1 | 180 | 0 | 0 | 0 | 0 | 112.2 | R241 | V237-R241 WeakPolarHBondContact O-CB 3.37Å; V237-R241 PolarHBondContact O-N 3.01Å |
| 238 | E | 87.2 | Confident | 89 | Confident | 153 Ų | 153 | 64.5 Ų | 64.5 | 72% | 0.715 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -69.6 | -50.8 | -177.6 | -66.5 | -170.1 | 164.3 | 0 | 0 | 109.6 | D236 Y240 R241 D242 | D236-E238 PolarHBondContact OD1-N 2.86Å; E238-Y240 VanDerWaalsContact C-N 3.27Å; E238-Y240 PolarHBondContact O-N 3.49Å; E238-R241 WeakPolarHBondContact O-CB 3.4Å; E238-R241 PolarHBondContact O-N 2.92Å; E238-R241 VanDerWaalsContact O-N 3.16Å; E238-D242 PolarHBondContact O-N 3.46Å |
| 239 | R | 86.3 | Confident | 88.7 | Confident | 69 Ų | 69 | 64.6 Ų | 64.6 | 26% | 0.26 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.2 | -35 | 178.6 | -176 | 172.1 | 163 | 153.9 | -17.7 | 112.8 | D236 A243 Y286 Q287 D288 | D236-R239 HydrophobicContact CB-CB 3.96Å; D236-R239 PolarHBondContact OD1-N 3.14Å; R239-A243 WeakPolarHBondContact O-CB 3.42Å; R239-A243 PolarHBondContact O-N 3.32Å; R239-Y286 HydrophobicContact CB-CD2 4.45Å; R239-Y286 HydrophobicContact CB-CE2 4.02Å; R239-Y286 HydrophobicContact CG-CD2 3.85Å; R239-Y286 HydrophobicContact CG-CE2 3.8Å; R239-Y286 PolarHBondContact NE-O 3.35Å; R239-Y286 PolarHBondContact NH2-O 2.95Å; R239-Q287 PolarHBondContact NH2-O 3.03Å; R239-D288 IonicContact CZ-OD2 3.42Å; R239-D288 IonicContact NH1-OD2 3.23Å; R239-D288 PolarHBondContact NH1-OD2 2.94Å |
| 240 | Y | 90.8 | Very high | 88.2 | Confident | 11 Ų | 11 | 68.8 Ų | 68.8 | 4% | 0.043 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.3 | -45.5 | 177.1 | -179.1 | -103.1 | 0 | 0 | 0 | 110.5 | R226 V229 L230 M235 D236 E238 D242 A243 L244 D260 Y286 | R226-Y240 WeakPolarHBondContact CA-OH 3.36Å; R226-Y240 HydrophobicContact CG-CE2 4.22Å; V229-Y240 HydrophobicContact CB-CE2 3.86Å; V229-Y240 HydrophobicContact CG1-CD2 3.87Å; V229-Y240 HydrophobicContact CG1-CE2 3.65Å; L230-Y240 HydrophobicContact CD2-CD2 3.86Å; L230-Y240 HydrophobicContact CD2-CE2 4.32Å; L230-Y240 HydrophobicContact CG-CD2 4.48Å; L230-Y240 HydrophobicContact CG-CE2 4.46Å; M235-Y240 HydrophobicContact CE-CD1 3.45Å; M235-Y240 VanDerWaalsContact CE-CD1 3.45Å; M235-Y240 HydrophobicContact CE-CE1 3.72Å; M235-Y240 HydrophobicContact CE-CG 3.89Å; D236-Y240 WeakPolarHBondContact O-CB 3.3Å; D236-Y240 PolarHBondContact O-N 3.33Å; E238-Y240 VanDerWaalsContact C-N 3.27Å; E238-Y240 PolarHBondContact O-N 3.49Å; Y240-D242 VanDerWaalsContact C-N 3.31Å; Y240-D242 PolarHBondContact O-N 3.04Å; Y240-A243 PolarHBondContact O-N 2.72Å; Y240-L244 HydrophobicContact CD1-CD1 3.79Å; Y240-L244 HydrophobicContact CD1-CG 4.31Å; Y240-L244 HydrophobicContact CE1-CD1 3.38Å; Y240-L244 HydrophobicContact CE1-CG 4.11Å; Y240-L244 VanDerWaalsContact O-CG 3.3Å; Y240-L244 WeakPolarHBondContact O-CG 3.17Å; Y240-L244 PolarHBondContact O-N 3.44Å; Y240-D260 WeakPolarHBondContact OH-CB 3.13Å; Y240-D260 PolarHBondContact OH-OD2 3.26Å; Y240-Y286 HydrophobicContact CD2-CD2 4.38Å; Y240-Y286 HydrophobicContact CD2-CE2 4.3Å |
| 241 | R | 88.8 | Confident | 87.6 | Confident | 164 Ų | 164 | 76.9 Ų | 76.9 | 62% | 0.619 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.9 | -42.7 | 175.2 | -177.7 | -178.9 | -76.3 | 167.9 | -4.6 | 111.3 | V237 E238 L244 H245 | V237-R241 WeakPolarHBondContact O-CB 3.37Å; V237-R241 PolarHBondContact O-N 3.01Å; E238-R241 WeakPolarHBondContact O-CB 3.4Å; E238-R241 PolarHBondContact O-N 2.92Å; E238-R241 VanDerWaalsContact O-N 3.16Å; R241-L244 PolarHBondContact O-N 3.13Å; R241-H245 WeakPolarHBondContact O-CB 3.37Å; R241-H245 PolarHBondContact O-N 2.92Å |
| 242 | D | 86.8 | Confident | 87.1 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 41% | 0.406 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 177 | -70.8 | -13.3 | 0 | 0 | 0 | 111.4 | E238 Y240 L244 H245 V246 | E238-D242 PolarHBondContact O-N 3.46Å; Y240-D242 VanDerWaalsContact C-N 3.31Å; Y240-D242 PolarHBondContact O-N 3.04Å; D242-L244 VanDerWaalsContact C-N 3.31Å; D242-L244 PolarHBondContact O-N 3.34Å; D242-H245 PolarHBondContact O-N 2.95Å; D242-H245 VanDerWaalsContact O-N 3.1Å; D242-V246 WeakPolarHBondContact O-CG2 3.46Å; D242-V246 PolarHBondContact O-N 2.84Å |
| 243 | A | 89.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60 | -40.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R239 Y240 S247 V285 Y286 | R239-A243 WeakPolarHBondContact O-CB 3.42Å; R239-A243 PolarHBondContact O-N 3.32Å; Y240-A243 PolarHBondContact O-N 2.72Å; A243-S247 VanDerWaalsContact O-CB 3.27Å; A243-S247 WeakPolarHBondContact O-CB 3.46Å; A243-S247 PolarHBondContact O-N 3.03Å; A243-S247 VanDerWaalsContact O-N 3.09Å; A243-S247 PolarHBondContact O-OG 2.75Å; A243-V285 HydrophobicContact CB-CB 4.28Å; A243-V285 HydrophobicContact CB-CG1 4.01Å; A243-Y286 HydrophobicContact CB-CD2 4.21Å |
| 244 | L | 89.9 | Confident | 86.5 | Confident | 8 Ų | 8 | 71.3 Ų | 71.3 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.6 | -33.9 | 174.7 | -68.6 | -177.5 | 0 | 0 | 0 | 113 | Y240 R241 D242 S247 A248 L249 M250 L253 | Y240-L244 HydrophobicContact CD1-CD1 3.79Å; Y240-L244 HydrophobicContact CD1-CG 4.31Å; Y240-L244 HydrophobicContact CE1-CD1 3.38Å; Y240-L244 HydrophobicContact CE1-CG 4.11Å; Y240-L244 VanDerWaalsContact O-CG 3.3Å; Y240-L244 WeakPolarHBondContact O-CG 3.17Å; Y240-L244 PolarHBondContact O-N 3.44Å; R241-L244 PolarHBondContact O-N 3.13Å; D242-L244 VanDerWaalsContact C-N 3.31Å; D242-L244 PolarHBondContact O-N 3.34Å; L244-S247 PolarHBondContact O-OG 3.35Å; L244-A248 PolarHBondContact O-N 3.42Å; L244-L249 HydrophobicContact CD2-CB 4.1Å; L244-L249 HydrophobicContact CD2-CD2 3.63Å; L244-L249 HydrophobicContact CD2-CG 4.35Å; L244-L249 PolarHBondContact O-N 2.98Å; L244-M250 HydrophobicContact CB-CG 4.14Å; L244-M250 HydrophobicContact CB-SD 4Å; L244-M250 HydrophobicContact CD1-SD 4.02Å; L244-L253 HydrophobicContact CD1-CD1 3.71Å; L244-L253 HydrophobicContact CD2-CD1 3.91Å; L244-L253 HydrophobicContact CG-CD1 4.41Å |
| 245 | H | 87.1 | Confident | 85.7 | Confident | 129 Ų | 129 | 72.1 Ų | 72.1 | 60% | 0.597 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -71.9 | -51.7 | 177.9 | -170.6 | 71.7 | 0 | 0 | 0 | 111.3 | R241 D242 S247 A248 | R241-H245 WeakPolarHBondContact O-CB 3.37Å; R241-H245 PolarHBondContact O-N 2.92Å; D242-H245 PolarHBondContact O-N 2.95Å; D242-H245 VanDerWaalsContact O-N 3.1Å; H245-S247 VanDerWaalsContact C-N 3.29Å; H245-S247 PolarHBondContact O-N 2.84Å; H245-A248 WeakPolarHBondContact O-CA 3.4Å; H245-A248 PolarHBondContact O-N 3.32Å |
| 246 | V | 85.9 | Confident | 85 | Confident | 27 Ų | 27 | 70.1 Ų | 70.1 | 16% | 0.164 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 179.3 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | D242 A248 V285 F313 | D242-V246 WeakPolarHBondContact O-CG2 3.46Å; D242-V246 PolarHBondContact O-N 2.84Å; V246-A248 PolarHBondContact O-N 3.16Å; V246-V285 HydrophobicContact CG1-CG2 4.23Å; V246-F313 HydrophobicContact CG1-CD1 4.41Å; V246-F313 HydrophobicContact CG1-CE1 3.95Å; V246-F313 HydrophobicContact CG1-CE2 4.28Å; V246-F313 HydrophobicContact CG1-CZ 3.87Å |
| 247 | S | 86.6 | Confident | 84 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -1 | 176.6 | 61.5 | 0 | 0 | 0 | 0 | 114 | A243 L244 H245 L249 R278 A282 | A243-S247 VanDerWaalsContact O-CB 3.27Å; A243-S247 WeakPolarHBondContact O-CB 3.46Å; A243-S247 PolarHBondContact O-N 3.03Å; A243-S247 VanDerWaalsContact O-N 3.09Å; A243-S247 PolarHBondContact O-OG 2.75Å; L244-S247 PolarHBondContact O-OG 3.35Å; H245-S247 VanDerWaalsContact C-N 3.29Å; H245-S247 PolarHBondContact O-N 2.84Å; S247-L249 PolarHBondContact O-N 3.14Å; S247-L249 VanDerWaalsContact O-N 3.16Å; S247-R278 WeakPolarHBondContact CB-O 3.48Å; S247-R278 WeakPolarHBondContact O-CD 3.38Å; S247-R278 VanDerWaalsContact O-CG 3.23Å; S247-R278 WeakPolarHBondContact O-CG 3.45Å; S247-A282 WeakPolarHBondContact OG-CB 3.45Å |
| 248 | A | 86 | Confident | 83.4 | Confident | 21 Ų | 21 | 71.2 Ų | 71.2 | 17% | 0.174 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 25.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L244 H245 V246 V305 I309 | L244-A248 PolarHBondContact O-N 3.42Å; H245-A248 WeakPolarHBondContact O-CA 3.4Å; H245-A248 PolarHBondContact O-N 3.32Å; V246-A248 PolarHBondContact O-N 3.16Å; A248-V305 HydrophobicContact CB-CG1 3.73Å; A248-I309 HydrophobicContact CB-CD1 4.44Å; A248-I309 HydrophobicContact CB-CG1 4.07Å |
| 249 | L | 86.9 | Confident | 83.2 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -19.7 | -175.1 | -163 | 70.9 | 0 | 0 | 0 | 113 | I225 L244 S247 R251 D252 L253 R278 I279 | I225-L249 HydrophobicContact CG2-CD2 4.06Å; L244-L249 HydrophobicContact CD2-CB 4.1Å; L244-L249 HydrophobicContact CD2-CD2 3.63Å; L244-L249 HydrophobicContact CD2-CG 4.35Å; L244-L249 PolarHBondContact O-N 2.98Å; S247-L249 PolarHBondContact O-N 3.14Å; S247-L249 VanDerWaalsContact O-N 3.16Å; L249-R251 PolarHBondContact O-N 3.17Å; L249-R251 VanDerWaalsContact O-N 3.14Å; L249-D252 HydrophobicContact CD1-CB 4.23Å; L249-D252 WeakPolarHBondContact O-CB 3.48Å; L249-D252 PolarHBondContact O-N 2.97Å; L249-L253 HydrophobicContact CD2-CD2 4.39Å; L249-L253 HydrophobicContact CD2-CG 4.48Å; L249-L253 HydrophobicContact CG-CG 4.25Å; L249-L253 PolarHBondContact O-N 3.31Å; L249-L253 VanDerWaalsContact O-N 3.08Å; L249-R278 HydrophobicContact CD1-CB 3.72Å; L249-I279 HydrophobicContact CD1-CG1 3.78Å; L249-I279 HydrophobicContact CD2-CG1 3.7Å; L249-I279 HydrophobicContact CG-CG1 4.43Å |
| 250 | M | 83.1 | Confident | 83.2 | Confident | 90 Ų | 90 | 62.9 Ų | 62.9 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -52.3 | -39.5 | -178.5 | -73.4 | -65.1 | -73.9 | 0 | 0 | 113.5 | L244 D252 L253 V254 | L244-M250 HydrophobicContact CB-CG 4.14Å; L244-M250 HydrophobicContact CB-SD 4Å; L244-M250 HydrophobicContact CD1-SD 4.02Å; M250-D252 VanDerWaalsContact C-N 3.31Å; M250-D252 PolarHBondContact O-N 2.96Å; M250-L253 PolarHBondContact O-N 3.44Å; M250-V254 WeakPolarHBondContact O-CG2 3.47Å; M250-V254 PolarHBondContact O-N 2.88Å |
| 251 | R | 80.3 | Confident | 82.9 | Confident | 189 Ų | 189 | 66 Ų | 66 | 71% | 0.713 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.5 | -31.9 | 179 | -65.4 | -179 | -178.7 | 175.7 | 0.9 | 112.8 | L249 | L249-R251 PolarHBondContact O-N 3.17Å; L249-R251 VanDerWaalsContact O-N 3.14Å |
| 252 | D | 82.2 | Confident | 82.5 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -73.9 | -43.3 | 176.6 | -66.4 | -64.9 | 0 | 0 | 0 | 111.1 | L249 M250 V254 R255 L256 Q275 R278 | L249-D252 HydrophobicContact CD1-CB 4.23Å; L249-D252 WeakPolarHBondContact O-CB 3.48Å; L249-D252 PolarHBondContact O-N 2.97Å; M250-D252 VanDerWaalsContact C-N 3.31Å; M250-D252 PolarHBondContact O-N 2.96Å; D252-V254 VanDerWaalsContact C-N 3.31Å; D252-V254 PolarHBondContact O-N 3.13Å; D252-R255 WeakPolarHBondContact O-CB 3.43Å; D252-R255 PolarHBondContact O-N 2.84Å; D252-L256 PolarHBondContact O-N 3.05Å; D252-Q275 HydrophobicContact CB-CG 4.39Å; D252-Q275 WeakPolarHBondContact OD1-CG 3.12Å; D252-Q275 PolarHBondContact OD1-NE2 3.43Å; D252-R278 VanDerWaalsContact CG-NH2 3.25Å; D252-R278 IonicContact OD1-NH2 3.16Å; D252-R278 PolarHBondContact OD1-NH2 2.8Å; D252-R278 IonicContact OD2-CZ 3.36Å; D252-R278 IonicContact OD2-NE 3.47Å; D252-R278 PolarHBondContact OD2-NE 2.82Å; D252-R278 IonicContact OD2-NH2 2.74Å; D252-R278 PolarHBondContact OD2-NH2 3.37Å |
| 253 | L | 83.4 | Confident | 82 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.1 | -42.2 | -178.5 | -66.1 | 179.5 | 0 | 0 | 0 | 111.8 | I225 L244 L249 M250 R255 L256 G259 D260 | I225-L253 HydrophobicContact CD1-CD2 3.91Å; I225-L253 HydrophobicContact CG2-CD2 4.09Å; L244-L253 HydrophobicContact CD1-CD1 3.71Å; L244-L253 HydrophobicContact CD2-CD1 3.91Å; L244-L253 HydrophobicContact CG-CD1 4.41Å; L249-L253 HydrophobicContact CD2-CD2 4.39Å; L249-L253 HydrophobicContact CD2-CG 4.48Å; L249-L253 HydrophobicContact CG-CG 4.25Å; L249-L253 PolarHBondContact O-N 3.31Å; L249-L253 VanDerWaalsContact O-N 3.08Å; M250-L253 PolarHBondContact O-N 3.44Å; L253-R255 PolarHBondContact O-N 2.94Å; L253-R255 VanDerWaalsContact O-N 3.14Å; L253-L256 HydrophobicContact CD2-CD1 4.34Å; L253-L256 PolarHBondContact O-N 3.03Å; L253-L256 VanDerWaalsContact O-N 3.07Å; L253-G259 WeakPolarHBondContact O-CA 3.45Å; L253-D260 HydrophobicContact CD1-CB 4.13Å; L253-D260 HydrophobicContact CD2-CB 3.97Å |
| 254 | V | 80.6 | Confident | 81.4 | Confident | 125 Ų | 125 | 58 Ų | 58 | 76% | 0.758 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -27.5 | 177.5 | 174.2 | 0 | 0 | 0 | 0 | 112.8 | M250 D252 | M250-V254 WeakPolarHBondContact O-CG2 3.47Å; M250-V254 PolarHBondContact O-N 2.88Å; D252-V254 VanDerWaalsContact C-N 3.31Å; D252-V254 PolarHBondContact O-N 3.13Å |
| 255 | R | 73.3 | Confident | 80.3 | Confident | 172 Ų | 172 | 59.2 Ų | 59.2 | 65% | 0.649 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -17.6 | -179.8 | -66.9 | 176.1 | 171.2 | -174.1 | -7 | 113.4 | D252 L253 | D252-R255 WeakPolarHBondContact O-CB 3.43Å; D252-R255 PolarHBondContact O-N 2.84Å; L253-R255 PolarHBondContact O-N 2.94Å; L253-R255 VanDerWaalsContact O-N 3.14Å |
| 256 | L | 73.1 | Confident | 79.2 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 18% | 0.183 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -82.3 | 139 | -179.5 | -66.1 | 173.5 | 0 | 0 | 0 | 109.9 | I225 D252 L253 K258 G259 T262 | I225-L256 HydrophobicContact CD1-CD1 3.2Å; D252-L256 PolarHBondContact O-N 3.05Å; L253-L256 HydrophobicContact CD2-CD1 4.34Å; L253-L256 PolarHBondContact O-N 3.03Å; L253-L256 VanDerWaalsContact O-N 3.07Å; L256-K258 PolarHBondContact O-N 3Å; L256-G259 PolarHBondContact O-N 3.33Å; L256-T262 WeakPolarHBondContact CB-OG1 3.4Å; L256-T262 HydrophobicContact CD1-CG2 4.43Å; L256-T262 HydrophobicContact CD2-CG2 4.46Å |
| 257 | P | 67.5 | Low | 78.1 | Confident | 126 Ų | 126 | 62.3 Ų | 62.3 | 82% | 0.818 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.9 | -172.6 | 23.1 | -33.6 | 0 | 0 | 0 | 113.9 | ||
| 258 | K | 75.5 | Confident | 77 | Confident | 69 Ų | 69 | 62.3 Ų | 62.3 | 30% | 0.3 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | 19.8 | 177.6 | -63.7 | -166.9 | 169.2 | -155.7 | 0 | 113.2 | L256 D260 L261 F363 | L256-K258 PolarHBondContact O-N 3Å; K258-D260 PolarHBondContact O-N 2.91Å; K258-L261 HydrophobicContact CB-CB 4.38Å; K258-L261 WeakPolarHBondContact O-CB 3.47Å; K258-L261 PolarHBondContact O-N 3.41Å; K258-F363 VanDerWaalsContact NZ-CG 3.33Å |
| 259 | G | 83.1 | Confident | 75.9 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | 55.8 | -129.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | L253 L256 L261 T262 | L253-G259 WeakPolarHBondContact O-CA 3.45Å; L256-G259 PolarHBondContact O-N 3.33Å; G259-L261 VanDerWaalsContact C-N 3.32Å; G259-T262 WeakPolarHBondContact O-CB 3.48Å; G259-T262 PolarHBondContact O-N 3.46Å; G259-T262 PolarHBondContact O-OG1 3.41Å |
| 260 | D | 85.5 | Confident | 75 | Confident | 28 Ų | 28 | 69.7 Ų | 69.7 | 15% | 0.15 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -78.7 | -13.6 | -179 | 70.8 | -27.5 | 0 | 0 | 0 | 114.3 | I225 R226 Y240 L253 K258 T262 | I225-D260 WeakPolarHBondContact CB-O 3.39Å; I225-D260 PolarHBondContact N-O 3.27Å; R226-D260 HydrophobicContact CB-CB 4.48Å; R226-D260 IonicContact CZ-OD1 3.42Å; R226-D260 IonicContact CZ-OD2 3.14Å; R226-D260 VanDerWaalsContact CZ-OD2 3.28Å; R226-D260 PolarHBondContact N-O 2.9Å; R226-D260 IonicContact NE-OD2 3.53Å; R226-D260 PolarHBondContact NE-OD2 3.23Å; R226-D260 IonicContact NH2-OD1 2.96Å; R226-D260 PolarHBondContact NH2-OD1 3.22Å; R226-D260 IonicContact NH2-OD2 3.46Å; R226-D260 PolarHBondContact NH2-OD2 3.05Å; Y240-D260 WeakPolarHBondContact OH-CB 3.13Å; Y240-D260 PolarHBondContact OH-OD2 3.26Å; L253-D260 HydrophobicContact CD1-CB 4.13Å; L253-D260 HydrophobicContact CD2-CB 3.97Å; K258-D260 PolarHBondContact O-N 2.91Å; D260-T262 PolarHBondContact O-N 3.35Å |
| 261 | L | 85 | Confident | 74.4 | Confident | 77 Ų | 77 | 66.1 Ų | 66.1 | 40% | 0.403 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -81.9 | 2.7 | 172.3 | -62 | 178.2 | 0 | 0 | 0 | 112.7 | K258 G259 V263 | K258-L261 HydrophobicContact CB-CB 4.38Å; K258-L261 WeakPolarHBondContact O-CB 3.47Å; K258-L261 PolarHBondContact O-N 3.41Å; G259-L261 VanDerWaalsContact C-N 3.32Å; L261-V263 PolarHBondContact O-N 3.31Å |
| 262 | T | 80.8 | Confident | 74.1 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 13% | 0.129 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 123.4 | 174.4 | -57 | 0 | 0 | 0 | 0 | 109.9 | T224 I225 L256 G259 D260 | T224-T262 WeakPolarHBondContact CA-O 3.13Å; I225-T262 PolarHBondContact N-O 2.95Å; L256-T262 WeakPolarHBondContact CB-OG1 3.4Å; L256-T262 HydrophobicContact CD1-CG2 4.43Å; L256-T262 HydrophobicContact CD2-CG2 4.46Å; G259-T262 WeakPolarHBondContact O-CB 3.48Å; G259-T262 PolarHBondContact O-N 3.46Å; G259-T262 PolarHBondContact O-OG1 3.41Å; D260-T262 PolarHBondContact O-N 3.35Å |
| 263 | V | 76.1 | Confident | 73.6 | Confident | 48 Ų | 48 | 59.9 Ų | 59.9 | 29% | 0.291 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 124.9 | -179.9 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | T224 L261 F363 I365 | T224-V263 HydrophobicContact CG2-CG2 4.3Å; L261-V263 PolarHBondContact O-N 3.31Å; V263-F363 HydrophobicContact CG2-CB 4.4Å; V263-I365 HydrophobicContact CG1-CG1 3.82Å |
| 264 | I | 77.6 | Confident | 73.4 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 126.3 | 175.9 | -54.5 | 167.9 | 0 | 0 | 0 | 107.8 | L220 P222 G223 I225 N228 L271 I279 | L220-I264 HydrophobicContact CD1-CD1 4.07Å; L220-I264 HydrophobicContact CD1-CG2 4.25Å; P222-I264 WeakPolarHBondContact CA-O 3.5Å; G223-I264 PolarHBondContact N-O 2.94Å; G223-I264 VanDerWaalsContact N-O 3.14Å; G223-I264 WeakPolarHBondContact O-CB 3.43Å; G223-I264 PolarHBondContact O-N 3.3Å; I225-I264 HydrophobicContact CB-CD1 4.25Å; I225-I264 HydrophobicContact CG1-CD1 3.45Å; I225-I264 VanDerWaalsContact CG1-CD1 3.45Å; I225-I264 HydrophobicContact CG1-CG1 3.81Å; N228-I264 HydrophobicContact CB-CD1 4.47Å; I264-L271 HydrophobicContact CD1-CD1 3.84Å; I264-L271 HydrophobicContact CG1-CD1 3.93Å; I264-L271 HydrophobicContact CG2-CD1 4.18Å; I264-I279 HydrophobicContact CD1-CD1 4.34Å |
| 265 | G | 67.4 | Low | 73.6 | Confident | 33 Ų | 33 | 55 Ų | 55 | 34% | 0.34 | 31% | 0.311 | S | S | . | . | trans | -73.5 | -175.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | K267 G268 | G265-K267 PolarHBondContact O-N 2.91Å; G265-G268 PolarHBondContact O-N 2.92Å | ||
| 266 | D | 62.4 | Low | 74.3 | Confident | 94 Ų | 94 | 48.7 Ų | 48.7 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -56.4 | 127.9 | 178.6 | -160.8 | 3.1 | 0 | 0 | 0 | 111.4 | P222 G268 | P222-D266 HydrophobicContact CG-CB 4.45Å; D266-G268 PolarHBondContact O-N 3.01Å |
| 267 | K | 63.8 | Low | 74.9 | Confident | 127 Ų | 127 | 47.6 Ų | 47.6 | 55% | 0.552 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | 55.8 | 10.7 | -172.9 | -53.2 | -178.7 | -179.9 | -180 | 0 | 116.2 | G265 T269 K276 | G265-K267 PolarHBondContact O-N 2.91Å; K267-T269 PolarHBondContact O-N 3.49Å; K267-K276 PolarHBondContact O-NZ 3.25Å |
| 268 | G | 62.5 | Low | 76 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | 56.6 | 42.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | G265 D266 T270 L271 K276 | G265-G268 PolarHBondContact O-N 2.92Å; D266-G268 PolarHBondContact O-N 3.01Å; G268-T270 PolarHBondContact O-N 3.11Å; G268-L271 PolarHBondContact O-N 3.44Å; G268-K276 WeakPolarHBondContact O-CE 3.4Å; G268-K276 PolarHBondContact O-NZ 2.81Å |
| 269 | T | 63.7 | Low | 76.8 | Confident | 74 Ų | 74 | 39.6 Ų | 39.6 | 45% | 0.454 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -22.7 | 178.7 | 52.3 | 0 | 0 | 0 | 0 | 114.7 | K267 L271 | K267-T269 PolarHBondContact O-N 3.49Å; T269-L271 VanDerWaalsContact C-N 3.32Å |
| 270 | T | 67.4 | Low | 77.2 | Confident | 104 Ų | 104 | 38.9 Ų | 38.9 | 64% | 0.638 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -16 | 176.7 | 52.8 | 0 | 0 | 0 | 0 | 114.2 | G268 | G268-T270 PolarHBondContact O-N 3.11Š|
| 271 | L | 71.9 | Confident | 77.4 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -102.4 | 147.2 | -177.6 | -62.8 | 175.8 | 0 | 0 | 0 | 111.7 | L220 I264 G268 T269 Q275 K276 I279 | L220-L271 HydrophobicContact CD1-CD1 3.78Å; I264-L271 HydrophobicContact CD1-CD1 3.84Å; I264-L271 HydrophobicContact CG1-CD1 3.93Å; I264-L271 HydrophobicContact CG2-CD1 4.18Å; G268-L271 PolarHBondContact O-N 3.44Å; T269-L271 VanDerWaalsContact C-N 3.32Å; L271-Q275 HydrophobicContact CB-CB 4.29Å; L271-K276 HydrophobicContact CB-CG 4.01Å; L271-K276 WeakPolarHBondContact O-CE 3.32Å; L271-I279 HydrophobicContact CD1-CD1 3.47Å; L271-I279 VanDerWaalsContact CD1-CD1 3.47Å |
| 272 | S | 73.6 | Confident | 77.8 | Confident | 27 Ų | 27 | 34 Ų | 34 | 19% | 0.189 | 20% | 0.203 | C | C | . | . | trans | -70.7 | 156 | 172.8 | 65.6 | 0 | 0 | 0 | 0 | 112.3 | G274 Q275 K276 | S272-G274 VanDerWaalsContact C-N 3.29Å; S272-G274 PolarHBondContact O-N 3.48Å; S272-Q275 WeakPolarHBondContact O-CB 3.4Å; S272-Q275 PolarHBondContact O-N 3.14Å; S272-Q275 VanDerWaalsContact OG-CD 3.24Å; S272-Q275 VanDerWaalsContact OG-CG 3.24Å; S272-Q275 WeakPolarHBondContact OG-CG 3.47Å; S272-Q275 PolarHBondContact OG-N 3.02Å; S272-Q275 PolarHBondContact OG-OE1 3.15Å; S272-K276 WeakPolarHBondContact O-CG 3.36Å; S272-K276 PolarHBondContact O-N 3.31Å | ||
| 273 | G | 71.2 | Confident | 78.3 | Confident | 44 Ų | 44 | 34.4 Ų | 34.4 | 45% | 0.454 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -52.5 | -44.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q275 K276 A277 | G273-Q275 PolarHBondContact O-N 3.13Å; G273-K276 PolarHBondContact O-N 2.95Å; G273-A277 WeakPolarHBondContact O-CB 3.4Å; G273-A277 PolarHBondContact O-N 2.99Å |
| 274 | G | 79.2 | Confident | 79 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.2 | -36 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S272 A277 R278 A300 | S272-G274 VanDerWaalsContact C-N 3.29Å; S272-G274 PolarHBondContact O-N 3.48Å; G274-A277 PolarHBondContact O-N 3.32Å; G274-R278 WeakPolarHBondContact O-CG 3.36Å; G274-R278 PolarHBondContact O-N 3.28Å; G274-R278 PolarHBondContact O-NH1 2.91Å; G274-A300 WeakPolarHBondContact CA-O 3.41Å; G274-A300 PolarHBondContact N-O 3.33Å |
| 275 | Q | 85.7 | Confident | 79.6 | Confident | 35 Ų | 35 | 33.6 Ų | 33.6 | 16% | 0.164 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.8 | -42.5 | 173.7 | -75.1 | 167.5 | -30.1 | 0 | 0 | 111.6 | D252 L271 S272 G273 A277 R278 I279 | D252-Q275 HydrophobicContact CB-CG 4.39Å; D252-Q275 WeakPolarHBondContact OD1-CG 3.12Å; D252-Q275 PolarHBondContact OD1-NE2 3.43Å; L271-Q275 HydrophobicContact CB-CB 4.29Å; S272-Q275 WeakPolarHBondContact O-CB 3.4Å; S272-Q275 PolarHBondContact O-N 3.14Å; S272-Q275 VanDerWaalsContact OG-CD 3.24Å; S272-Q275 VanDerWaalsContact OG-CG 3.24Å; S272-Q275 WeakPolarHBondContact OG-CG 3.47Å; S272-Q275 PolarHBondContact OG-N 3.02Å; S272-Q275 PolarHBondContact OG-OE1 3.15Å; G273-Q275 PolarHBondContact O-N 3.13Å; Q275-A277 VanDerWaalsContact C-N 3.32Å; Q275-A277 PolarHBondContact O-N 2.88Å; Q275-R278 PolarHBondContact O-N 3.1Å; Q275-I279 VanDerWaalsContact O-CG1 3.27Å; Q275-I279 WeakPolarHBondContact O-CG1 3.21Å; Q275-I279 PolarHBondContact O-N 2.6Å |
| 276 | K | 86.9 | Confident | 80.8 | Confident | 40 Ų | 40 | 32.1 Ų | 32.1 | 17% | 0.174 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 175.3 | -61.7 | -178.9 | -170.8 | -164 | 0 | 111.3 | A218 L220 K267 G268 L271 S272 G273 I279 N280 | A218-K276 HydrophobicContact CB-CB 3.59Å; L220-K276 HydrophobicContact CD1-CB 4.24Å; L220-K276 HydrophobicContact CD1-CG 3.95Å; K267-K276 PolarHBondContact O-NZ 3.25Å; G268-K276 WeakPolarHBondContact O-CE 3.4Å; G268-K276 PolarHBondContact O-NZ 2.81Å; L271-K276 HydrophobicContact CB-CG 4.01Å; L271-K276 WeakPolarHBondContact O-CE 3.32Å; S272-K276 WeakPolarHBondContact O-CG 3.36Å; S272-K276 PolarHBondContact O-N 3.31Å; G273-K276 PolarHBondContact O-N 2.95Å; K276-I279 PolarHBondContact O-N 2.89Å; K276-N280 PolarHBondContact O-N 3.07Å |
| 277 | A | 86.3 | Confident | 82 | Confident | 12 Ų | 12 | 30.9 Ų | 30.9 | 10% | 0.099 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G273 G274 Q275 I279 N280 L281 A300 V301 | G273-A277 WeakPolarHBondContact O-CB 3.4Å; G273-A277 PolarHBondContact O-N 2.99Å; G274-A277 PolarHBondContact O-N 3.32Å; Q275-A277 VanDerWaalsContact C-N 3.32Å; Q275-A277 PolarHBondContact O-N 2.88Å; A277-I279 PolarHBondContact O-N 3.43Å; A277-N280 PolarHBondContact O-N 2.86Å; A277-L281 WeakPolarHBondContact O-CB 3.24Å; A277-L281 PolarHBondContact O-N 3.44Å; A277-A300 HydrophobicContact CB-CB 4.4Å; A277-V301 HydrophobicContact CB-CG2 4.39Å |
| 278 | R | 90 | Very high | 82.9 | Confident | 25 Ų | 25 | 28.6 Ų | 28.6 | 9% | 0.094 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 177.1 | -73.5 | -171 | -69.1 | -86.3 | 9.6 | 113.3 | S247 L249 D252 G274 Q275 L281 A282 V301 I309 | S247-R278 WeakPolarHBondContact CB-O 3.48Å; S247-R278 WeakPolarHBondContact O-CD 3.38Å; S247-R278 VanDerWaalsContact O-CG 3.23Å; S247-R278 WeakPolarHBondContact O-CG 3.45Å; L249-R278 HydrophobicContact CD1-CB 3.72Å; D252-R278 VanDerWaalsContact CG-NH2 3.25Å; D252-R278 IonicContact OD1-NH2 3.16Å; D252-R278 PolarHBondContact OD1-NH2 2.8Å; D252-R278 IonicContact OD2-CZ 3.36Å; D252-R278 IonicContact OD2-NE 3.47Å; D252-R278 PolarHBondContact OD2-NE 2.82Å; D252-R278 IonicContact OD2-NH2 2.74Å; D252-R278 PolarHBondContact OD2-NH2 3.37Å; G274-R278 WeakPolarHBondContact O-CG 3.36Å; G274-R278 PolarHBondContact O-N 3.28Å; G274-R278 PolarHBondContact O-NH1 2.91Å; Q275-R278 PolarHBondContact O-N 3.1Å; R278-L281 PolarHBondContact O-N 3.36Å; R278-A282 WeakPolarHBondContact O-CB 3.48Å; R278-A282 PolarHBondContact O-N 3.47Å; R278-V301 HydrophobicContact CG-CG2 4.39Å; R278-I309 HydrophobicContact CG-CD1 4.15Å |
| 279 | I | 92.1 | Very high | 83.9 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.8 | -41.8 | 175.9 | -66.8 | 163.4 | 0 | 0 | 0 | 110.9 | L220 I225 N228 V229 L249 I264 L271 Q275 K276 A277 A282 R283 | L220-I279 HydrophobicContact CD1-CD1 4.12Å; L220-I279 HydrophobicContact CD2-CB 4.02Å; L220-I279 HydrophobicContact CD2-CG2 3.47Å; L220-I279 VanDerWaalsContact CD2-CG2 3.47Å; I225-I279 HydrophobicContact CD1-CD1 4.49Å; I225-I279 HydrophobicContact CG1-CD1 4.22Å; I225-I279 HydrophobicContact CG2-CD1 4.19Å; I225-I279 HydrophobicContact CG2-CG1 4.12Å; N228-I279 HydrophobicContact CB-CG2 4.05Å; V229-I279 HydrophobicContact CG2-CG2 4.08Å; L249-I279 HydrophobicContact CD1-CG1 3.78Å; L249-I279 HydrophobicContact CD2-CG1 3.7Å; L249-I279 HydrophobicContact CG-CG1 4.43Å; I264-I279 HydrophobicContact CD1-CD1 4.34Å; L271-I279 HydrophobicContact CD1-CD1 3.47Å; L271-I279 VanDerWaalsContact CD1-CD1 3.47Å; Q275-I279 VanDerWaalsContact O-CG1 3.27Å; Q275-I279 WeakPolarHBondContact O-CG1 3.21Å; Q275-I279 PolarHBondContact O-N 2.6Å; K276-I279 PolarHBondContact O-N 2.89Å; A277-I279 PolarHBondContact O-N 3.43Å; I279-A282 WeakPolarHBondContact O-CB 3.33Å; I279-A282 PolarHBondContact O-N 2.98Å; I279-R283 PolarHBondContact O-N 3.41Å |
| 280 | N | 91.2 | Very high | 84.6 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.9 | -37.6 | 175.5 | -89.6 | 5.1 | 0 | 0 | 0 | 112.9 | V214 A218 W219 L220 K276 A277 R283 A284 | V214-N280 HydrophobicContact CG1-CB 4.41Å; A218-N280 WeakPolarHBondContact CA-ND2 3.41Å; W219-N280 PolarHBondContact N-ND2 2.88Å; W219-N280 PolarHBondContact O-ND2 2.77Å; W219-N280 PolarHBondContact O-OD1 2.83Å; L220-N280 WeakPolarHBondContact CD2-OD1 3.43Å; K276-N280 PolarHBondContact O-N 3.07Å; A277-N280 PolarHBondContact O-N 2.86Å; N280-R283 WeakPolarHBondContact O-CB 3.4Å; N280-R283 PolarHBondContact O-N 2.81Å; N280-R283 PolarHBondContact OD1-NH1 3.22Å; N280-R283 VanDerWaalsContact OD1-NH1 3.14Å; N280-R283 PolarHBondContact OD1-NH2 2.97Å; N280-A284 PolarHBondContact O-N 2.77Å |
| 281 | L | 91.1 | Very high | 85.3 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.8 | -44.9 | 173.3 | -173 | 63.9 | 0 | 0 | 0 | 110.7 | V214 A277 R278 R283 A284 V285 L294 I309 F313 | V214-L281 HydrophobicContact CG2-CD1 4.13Å; A277-L281 WeakPolarHBondContact O-CB 3.24Å; A277-L281 PolarHBondContact O-N 3.44Å; R278-L281 PolarHBondContact O-N 3.36Å; L281-R283 VanDerWaalsContact C-N 3.29Å; L281-R283 PolarHBondContact O-N 3.46Å; L281-A284 PolarHBondContact O-N 2.91Å; L281-A284 VanDerWaalsContact O-N 3.13Å; L281-V285 WeakPolarHBondContact O-CG2 3.44Å; L281-V285 PolarHBondContact O-N 2.75Å; L281-L294 HydrophobicContact CD1-CD2 4.16Å; L281-I309 HydrophobicContact CD2-CD1 4.31Å; L281-I309 HydrophobicContact CD2-CG2 3.44Å; L281-I309 VanDerWaalsContact CD2-CG2 3.44Å; L281-F313 HydrophobicContact CD1-CZ 4.06Å; L281-F313 HydrophobicContact CD2-CE2 4.36Å; L281-F313 HydrophobicContact CD2-CZ 4.37Å; L281-F313 HydrophobicContact CG-CZ 4.44Å |
| 282 | A | 92.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.7 | -41.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V229 S247 R278 I279 V285 Y286 | V229-A282 HydrophobicContact CG1-CB 4.08Å; V229-A282 HydrophobicContact CG2-CB 3.92Å; S247-A282 WeakPolarHBondContact OG-CB 3.45Å; R278-A282 WeakPolarHBondContact O-CB 3.48Å; R278-A282 PolarHBondContact O-N 3.47Å; I279-A282 WeakPolarHBondContact O-CB 3.33Å; I279-A282 PolarHBondContact O-N 2.98Å; A282-V285 PolarHBondContact O-N 3.11Å; A282-Y286 WeakPolarHBondContact O-CB 3.26Å; A282-Y286 PolarHBondContact O-N 3.26Å |
| 283 | R | 93 | Very high | 86.6 | Confident | 29 Ų | 29 | 30.5 Ų | 30.5 | 11% | 0.109 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58 | -47.6 | 173.7 | -177.8 | -168.6 | -63.3 | 153.3 | 3.1 | 111.8 | W219 N228 F231 I279 N280 L281 Y286 Q287 | W219-R283 PolarHBondContact O-NH1 2.86Å; W219-R283 PolarHBondContact O-NH2 2.92Å; N228-R283 PolarHBondContact O-NE 3.01Å; N228-R283 PolarHBondContact O-NH2 2.88Å; N228-R283 PolarHBondContact OD1-NH2 3.44Å; N228-R283 VanDerWaalsContact OD1-NH2 3.09Å; F231-R283 HydrophobicContact CB-CG 3.97Å; F231-R283 HydrophobicContact CD2-CG 4.46Å; F231-R283 HydrophobicContact CG-CG 4.3Å; I279-R283 PolarHBondContact O-N 3.41Å; N280-R283 WeakPolarHBondContact O-CB 3.4Å; N280-R283 PolarHBondContact O-N 2.81Å; N280-R283 PolarHBondContact OD1-NH1 3.22Å; N280-R283 VanDerWaalsContact OD1-NH1 3.14Å; N280-R283 PolarHBondContact OD1-NH2 2.97Å; L281-R283 VanDerWaalsContact C-N 3.29Å; L281-R283 PolarHBondContact O-N 3.46Å; R283-Y286 PolarHBondContact O-N 3.26Å; R283-Q287 PolarHBondContact O-N 3.45Å; R283-Q287 VanDerWaalsContact O-N 3.13Å |
| 284 | A | 90.1 | Very high | 87.4 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.2 | -47.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A212 V214 N280 L281 Y286 Q287 Y292 | A212-A284 HydrophobicContact CB-CB 4.15Å; V214-A284 HydrophobicContact CG2-CB 3.34Å; N280-A284 PolarHBondContact O-N 2.77Å; L281-A284 PolarHBondContact O-N 2.91Å; L281-A284 VanDerWaalsContact O-N 3.13Å; A284-Y286 VanDerWaalsContact C-N 3.31Å; A284-Y286 PolarHBondContact O-N 3.48Å; A284-Q287 WeakPolarHBondContact O-CB 3.41Å; A284-Q287 PolarHBondContact O-N 3.08Å; A284-Q287 VanDerWaalsContact O-N 3.09Å; A284-Y292 VanDerWaalsContact O-CE1 3.3Å; A284-Y292 WeakPolarHBondContact O-CE1 3.45Å |
| 285 | V | 90.3 | Very high | 87.7 | Confident | 29 Ų | 29 | 31.8 Ų | 31.8 | 18% | 0.176 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.8 | -42.8 | 177.3 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | A243 V246 L281 A282 Q287 D288 F313 | A243-V285 HydrophobicContact CB-CB 4.28Å; A243-V285 HydrophobicContact CB-CG1 4.01Å; V246-V285 HydrophobicContact CG1-CG2 4.23Å; L281-V285 WeakPolarHBondContact O-CG2 3.44Å; L281-V285 PolarHBondContact O-N 2.75Å; A282-V285 PolarHBondContact O-N 3.11Å; V285-Q287 PolarHBondContact O-N 3.41Å; V285-D288 PolarHBondContact O-N 2.97Å; V285-F313 HydrophobicContact CG2-CE1 4.01Å; V285-F313 HydrophobicContact CG2-CZ 4.04Å |
| 286 | Y | 91.9 | Very high | 87.3 | Confident | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.5 | -24.6 | 177.9 | -167.9 | -100.7 | 0 | 0 | 0 | 113.1 | V229 L230 Q233 D234 M235 D236 R239 Y240 A243 A282 R283 A284 D288 | V229-Y286 HydrophobicContact CG1-CG 4.36Å; L230-Y286 HydrophobicContact CD2-CD1 4.09Å; L230-Y286 HydrophobicContact CD2-CE1 3.36Å; L230-Y286 HydrophobicContact CD2-CE2 4.07Å; L230-Y286 WeakPolarHBondContact CD2-OH 3.48Å; Q233-Y286 HydrophobicContact CB-CE1 4.07Å; D234-Y286 PolarHBondContact O-OH 3.35Å; M235-Y286 WeakPolarHBondContact CA-OH 3.27Å; D236-Y286 PolarHBondContact N-OH 2.95Å; R239-Y286 HydrophobicContact CB-CD2 4.45Å; R239-Y286 HydrophobicContact CB-CE2 4.02Å; R239-Y286 HydrophobicContact CG-CD2 3.85Å; R239-Y286 HydrophobicContact CG-CE2 3.8Å; R239-Y286 PolarHBondContact NE-O 3.35Å; R239-Y286 PolarHBondContact NH2-O 2.95Å; Y240-Y286 HydrophobicContact CD2-CD2 4.38Å; Y240-Y286 HydrophobicContact CD2-CE2 4.3Å; A243-Y286 HydrophobicContact CB-CD2 4.21Å; A282-Y286 WeakPolarHBondContact O-CB 3.26Å; A282-Y286 PolarHBondContact O-N 3.26Å; R283-Y286 PolarHBondContact O-N 3.26Å; A284-Y286 VanDerWaalsContact C-N 3.31Å; A284-Y286 PolarHBondContact O-N 3.48Å; Y286-D288 VanDerWaalsContact C-N 3.33Å; Y286-D288 PolarHBondContact O-N 3.48Å |
| 287 | Q | 87.3 | Confident | 86.7 | Confident | 67 Ų | 67 | 33.3 Ų | 33.3 | 31% | 0.313 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -71.7 | -23.6 | -179.3 | -167.8 | -179.4 | -14.9 | 0 | 0 | 113.5 | I211 A212 R239 R283 A284 V285 | I211-Q287 PolarHBondContact O-NE2 3.27Å; A212-Q287 HydrophobicContact CB-CB 4.49Å; R239-Q287 PolarHBondContact NH2-O 3.03Å; R283-Q287 PolarHBondContact O-N 3.45Å; R283-Q287 VanDerWaalsContact O-N 3.13Å; A284-Q287 WeakPolarHBondContact O-CB 3.41Å; A284-Q287 PolarHBondContact O-N 3.08Å; A284-Q287 VanDerWaalsContact O-N 3.09Å; V285-Q287 PolarHBondContact O-N 3.41Å |
| 288 | D | 83.8 | Confident | 86.3 | Confident | 79 Ų | 79 | 34.1 Ų | 34.1 | 42% | 0.422 | 17% | 0.173 | S | C | . | . | trans | 48.9 | 66.2 | -177.8 | -170.6 | 31.4 | 0 | 0 | 0 | 112.8 | R210 R239 V285 Y286 Y292 | R210-D288 PolarHBondContact NH2-O 2.83Å; R239-D288 IonicContact CZ-OD2 3.42Å; R239-D288 IonicContact NH1-OD2 3.23Å; R239-D288 PolarHBondContact NH1-OD2 2.94Å; V285-D288 PolarHBondContact O-N 2.97Å; Y286-D288 VanDerWaalsContact C-N 3.33Å; Y286-D288 PolarHBondContact O-N 3.48Å; D288-Y292 VanDerWaalsContact CA-OH 3.27Å; D288-Y292 WeakPolarHBondContact CA-OH 3.4Å | ||
| 289 | A | 82.9 | Confident | 85.4 | Confident | 7 Ų | 7 | 36 Ų | 36 | 6% | 0.058 | 19% | 0.19 | C | C | . | . | trans | -89.9 | 160.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R210 A212 I291 Y292 | R210-A289 HydrophobicContact CB-CB 4.38Å; R210-A289 WeakPolarHBondContact O-CB 3.2Å; A212-A289 HydrophobicContact CB-CB 3.46Å; A212-A289 VanDerWaalsContact CB-CB 3.46Å; A212-A289 VanDerWaalsContact N-CB 3.25Å; A289-I291 VanDerWaalsContact C-N 3.34Å; A289-Y292 HydrophobicContact CB-CE2 4.4Å; A289-Y292 PolarHBondContact N-OH 3.3Å; A289-Y292 WeakPolarHBondContact O-CE2 3.42Å | ||
| 290 | D | 77.5 | Confident | 84.2 | Confident | 107 Ų | 107 | 37.5 Ų | 37.5 | 57% | 0.572 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -76.9 | -26.8 | 174.9 | -52.4 | -58.5 | 0 | 0 | 0 | 111.4 | G209 R210 | G209-D290 WeakPolarHBondContact CA-OD2 3.5Å; R210-D290 PolarHBondContact N-OD2 2.77Å; R210-D290 PolarHBondContact O-N 3.1Å |
| 291 | I | 82.1 | Confident | 83.2 | Confident | 41 Ų | 41 | 37.8 Ų | 37.8 | 21% | 0.21 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 126.6 | -176.7 | -56.6 | 172.6 | 0 | 0 | 0 | 109 | V207 R210 I211 A212 A289 L293 | V207-I291 HydrophobicContact CG1-CD1 3.43Å; V207-I291 VanDerWaalsContact CG1-CD1 3.43Å; R210-I291 PolarHBondContact O-N 2.78Å; I211-I291 CarbonylContact C-O 3.58Å; I211-I291 WeakPolarHBondContact CA-O 3.02Å; I211-I291 HydrophobicContact CG1-CB 4.32Å; I211-I291 HydrophobicContact CG1-CD1 4.48Å; A212-I291 PolarHBondContact N-O 3.09Å; A289-I291 VanDerWaalsContact C-N 3.34Å; I291-L293 HydrophobicContact CG2-CD2 3.99Å; I291-L293 HydrophobicContact CG2-CG 4.32Å |
| 292 | Y | 86 | Confident | 82 | Confident | 88 Ų | 88 | 39 Ų | 39 | 35% | 0.345 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 117.8 | 174.7 | -70.7 | -98 | 0 | 0 | 0 | 109.9 | A212 A284 D288 A289 | A212-Y292 HydrophobicContact CB-CD1 3.74Å; A212-Y292 HydrophobicContact CB-CE1 3.81Å; A212-Y292 HydrophobicContact CB-CG 4.44Å; A212-Y292 WeakPolarHBondContact O-CA 3.31Å; A284-Y292 VanDerWaalsContact O-CE1 3.3Å; A284-Y292 WeakPolarHBondContact O-CE1 3.45Å; D288-Y292 VanDerWaalsContact CA-OH 3.27Å; D288-Y292 WeakPolarHBondContact CA-OH 3.4Å; A289-Y292 HydrophobicContact CB-CE2 4.4Å; A289-Y292 PolarHBondContact N-OH 3.3Å; A289-Y292 WeakPolarHBondContact O-CE2 3.42Å |
| 293 | L | 88.3 | Confident | 80.8 | Confident | 18 Ų | 18 | 41.8 Ų | 41.8 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 109.8 | 173.3 | -60.4 | -175.6 | 0 | 0 | 0 | 108.1 | L191 L194 L195 I211 A212 Y213 V214 I291 | L191-L293 HydrophobicContact CD2-CB 4.44Å; L191-L293 HydrophobicContact CD2-CD2 4.18Å; L194-L293 HydrophobicContact CB-CD1 4.06Å; L194-L293 HydrophobicContact CD1-CD1 4.46Å; L194-L293 HydrophobicContact CD1-CD2 3.98Å; L195-L293 HydrophobicContact CD2-CD1 3.94Å; L195-L293 HydrophobicContact CG-CD1 3.98Å; I211-L293 HydrophobicContact CG2-CD1 3.73Å; I211-L293 HydrophobicContact CG2-CG 3.81Å; A212-L293 PolarHBondContact O-N 3.41Å; Y213-L293 WeakPolarHBondContact CA-O 3.47Å; Y213-L293 HydrophobicContact CD2-CB 3.84Å; Y213-L293 WeakPolarHBondContact CD2-O 3.37Å; V214-L293 PolarHBondContact N-O 3.43Å; I291-L293 HydrophobicContact CG2-CD2 3.99Å; I291-L293 HydrophobicContact CG2-CG 4.32Å |
| 294 | L | 87.8 | Confident | 79.8 | Confident | 60 Ų | 60 | 42.7 Ų | 42.7 | 31% | 0.314 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 105.1 | -176.1 | -51.1 | 178.3 | 0 | 0 | 0 | 109.6 | V214 L281 D296 P297 | V214-L294 HydrophobicContact CB-CD2 3.82Å; V214-L294 HydrophobicContact CG2-CD2 3.46Å; V214-L294 VanDerWaalsContact CG2-CD2 3.46Å; L281-L294 HydrophobicContact CD1-CD2 4.16Å; L294-D296 PolarHBondContact O-N 2.91Å; L294-P297 HydrophobicContact CB-CB 4.38Å; L294-P297 HydrophobicContact CB-CG 3.77Å; L294-P297 HydrophobicContact CD1-CG 4.33Å |
| 295 | D | 84.7 | Confident | 79.1 | Confident | 14 Ų | 14 | 43.3 Ų | 43.3 | 8% | 0.075 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -90 | 92.9 | 179.1 | -163 | 7.8 | 0 | 0 | 0 | 109.6 | S188 L191 Y213 V214 Q216 | S188-D295 WeakPolarHBondContact CB-OD2 3.49Å; S188-D295 PolarHBondContact OG-OD1 2.96Å; S188-D295 PolarHBondContact OG-OD2 3.43Å; L191-D295 HydrophobicContact CD1-CB 3.56Å; Y213-D295 HydrophobicContact CE2-CB 4.08Å; V214-D295 WeakPolarHBondContact O-CB 3.3Å; V214-D295 PolarHBondContact O-N 2.96Å; Q216-D295 WeakPolarHBondContact CA-O 3.38Å; Q216-D295 HydrophobicContact CB-CB 4.31Å; Q216-D295 PolarHBondContact N-O 2.99Å |
| 296 | D | 77.7 | Confident | 78.4 | Confident | 82 Ų | 82 | 42 Ų | 42 | 44% | 0.439 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 50.2 | 52.8 | 179.5 | -156.7 | 4 | 0 | 0 | 0 | 115.5 | Q216 L294 L298 S299 | Q216-D296 HydrophobicContact CG-CB 4.41Å; L294-D296 PolarHBondContact O-N 2.91Å; D296-L298 PolarHBondContact O-N 3.46Å; D296-L298 VanDerWaalsContact O-N 3.15Å; D296-S299 PolarHBondContact O-N 3.17Å; D296-S299 PolarHBondContact O-OG 3.11Å |
| 297 | P | 75.4 | Confident | 77.5 | Confident | 26 Ų | 26 | 45.1 Ų | 45.1 | 17% | 0.169 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.4 | -171 | 31.9 | -40.8 | 0 | 0 | 0 | 114.4 | V214 L294 | V214-P297 HydrophobicContact CG1-CB 4.16Å; L294-P297 HydrophobicContact CB-CB 4.38Å; L294-P297 HydrophobicContact CB-CG 3.77Å; L294-P297 HydrophobicContact CD1-CG 4.33Å |
| 298 | L | 77.1 | Confident | 77 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -5.9 | -173.7 | -57.7 | -177.2 | 0 | 0 | 0 | 113.4 | D296 A300 V301 I309 Y318 | D296-L298 PolarHBondContact O-N 3.46Å; D296-L298 VanDerWaalsContact O-N 3.15Å; L298-A300 VanDerWaalsContact C-N 3.29Å; L298-A300 PolarHBondContact O-N 2.98Å; L298-V301 PolarHBondContact O-N 2.95Å; L298-I309 HydrophobicContact CD2-CB 4.21Å; L298-I309 HydrophobicContact CD2-CD1 4.32Å; L298-I309 HydrophobicContact CD2-CG2 3.88Å; L298-Y318 HydrophobicContact CD1-CD2 4.36Å; L298-Y318 HydrophobicContact CD1-CE2 3.71Å |
| 299 | S | 71.5 | Confident | 76.8 | Confident | 64 Ų | 64 | 41 Ų | 41 | 45% | 0.448 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -38.6 | -175.2 | 52.6 | 0 | 0 | 0 | 0 | 114.8 | D296 | D296-S299 PolarHBondContact O-N 3.17Å; D296-S299 PolarHBondContact O-OG 3.11Å |
| 300 | A | 66.5 | Low | 76.5 | Confident | 34 Ų | 34 | 41.9 Ų | 41.9 | 28% | 0.281 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 2.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G274 A277 L298 | G274-A300 WeakPolarHBondContact CA-O 3.41Å; G274-A300 PolarHBondContact N-O 3.33Å; A277-A300 HydrophobicContact CB-CB 4.4Å; L298-A300 VanDerWaalsContact C-N 3.29Å; L298-A300 PolarHBondContact O-N 2.98Å |
| 301 | V | 70.4 | Confident | 76.4 | Confident | 11 Ų | 11 | 40.9 Ų | 40.9 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -105 | 143.1 | -173.9 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | A277 R278 L298 V305 I309 | A277-V301 HydrophobicContact CB-CG2 4.39Å; R278-V301 HydrophobicContact CG-CG2 4.39Å; L298-V301 PolarHBondContact O-N 2.95Å; V301-V305 HydrophobicContact CG1-CB 3.47Å; V301-V305 VanDerWaalsContact CG1-CB 3.47Å; V301-V305 HydrophobicContact CG1-CG1 3.4Å; V301-I309 HydrophobicContact CG1-CD1 4.29Å |
| 302 | D | 66 | Low | 76.1 | Confident | 30 Ų | 30 | 41.5 Ų | 41.5 | 16% | 0.16 | 24% | 0.238 | C | C | . | . | trans | -64.9 | 154.9 | 176.3 | 64.9 | 23.1 | 0 | 0 | 0 | 110.8 | A304 V305 G306 R679 | D302-A304 PolarHBondContact O-N 3.44Å; D302-V305 PolarHBondContact O-N 3.45Å; D302-V305 WeakPolarHBondContact OD1-CA 3.41Å; D302-V305 WeakPolarHBondContact OD1-CB 3.45Å; D302-V305 WeakPolarHBondContact OD1-CG2 3.29Å; D302-V305 PolarHBondContact OD1-N 3.41Å; D302-G306 PolarHBondContact O-N 3.08Å; D302-R679 IonicContact OD2-CZ 3.9Å; D302-R679 IonicContact OD2-NE 2.72Å; D302-R679 IonicContact OD2-NH2 3.58Å; D302-R679 PolarHBondContact OD2-NH2 2.94Å | ||
| 303 | T | 67.1 | Low | 75.3 | Confident | 57 Ų | 57 | 40.3 Ų | 40.3 | 35% | 0.35 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.2 | -37 | -174 | -44.8 | 0 | 0 | 0 | 0 | 112.3 | G306 K307 Y318 E878 | T303-G306 PolarHBondContact O-N 3.36Å; T303-K307 WeakPolarHBondContact O-CB 3.4Å; T303-K307 PolarHBondContact O-N 3.3Å; T303-Y318 HydrophobicContact CG2-CE1 3.86Å; T303-E878 WeakPolarHBondContact CB-O 3.47Å; T303-E878 WeakPolarHBondContact CG2-O 3.35Å |
| 304 | A | 70.5 | Confident | 74 | Confident | 48 Ų | 48 | 42.6 Ų | 42.6 | 40% | 0.397 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68 | -45.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D302 S308 | D302-A304 PolarHBondContact O-N 3.44Å; A304-S308 PolarHBondContact O-N 2.99Å |
| 305 | V | 76.9 | Confident | 72.6 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.2 | -36.9 | 175.7 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | A248 V301 D302 K307 S308 I309 | A248-V305 HydrophobicContact CB-CG1 3.73Å; V301-V305 HydrophobicContact CG1-CB 3.47Å; V301-V305 VanDerWaalsContact CG1-CB 3.47Å; V301-V305 HydrophobicContact CG1-CG1 3.4Å; D302-V305 PolarHBondContact O-N 3.45Å; D302-V305 WeakPolarHBondContact OD1-CA 3.41Å; D302-V305 WeakPolarHBondContact OD1-CB 3.45Å; D302-V305 WeakPolarHBondContact OD1-CG2 3.29Å; D302-V305 PolarHBondContact OD1-N 3.41Å; V305-K307 VanDerWaalsContact C-N 3.34Å; V305-K307 PolarHBondContact O-N 2.89Å; V305-S308 PolarHBondContact O-N 3.12Å; V305-I309 HydrophobicContact CG1-CD1 3.73Å; V305-I309 HydrophobicContact CG1-CG1 4.15Å; V305-I309 WeakPolarHBondContact O-CB 3.44Å; V305-I309 VanDerWaalsContact O-CG1 3.26Å; V305-I309 WeakPolarHBondContact O-CG1 3.39Å; V305-I309 PolarHBondContact O-N 3.39Å |
| 306 | G | 74.8 | Confident | 71.1 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D302 T303 I309 F310 | D302-G306 PolarHBondContact O-N 3.08Å; T303-G306 PolarHBondContact O-N 3.36Å; G306-I309 PolarHBondContact O-N 2.92Å; G306-F310 WeakPolarHBondContact O-CB 3.43Å; G306-F310 PolarHBondContact O-N 3.44Å |
| 307 | K | 72.5 | Confident | 69.8 | Low | 70 Ų | 70 | 45.8 Ų | 45.8 | 30% | 0.304 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.9 | -49.9 | 173.2 | -178.9 | 167.6 | -178.7 | 171.6 | 0 | 111.8 | T303 V305 I309 F310 E311 Y318 E319 | T303-K307 WeakPolarHBondContact O-CB 3.4Å; T303-K307 PolarHBondContact O-N 3.3Å; V305-K307 VanDerWaalsContact C-N 3.34Å; V305-K307 PolarHBondContact O-N 2.89Å; K307-I309 PolarHBondContact O-N 2.97Å; K307-F310 PolarHBondContact O-N 3.5Å; K307-E311 WeakPolarHBondContact CE-OE1 3.3Å; K307-E311 HydrophobicContact CG-CG 4.37Å; K307-E311 WeakPolarHBondContact CG-OE1 3.32Å; K307-E311 IonicContact NZ-OE1 2.7Å; K307-E311 WeakPolarHBondContact O-CB 3.49Å; K307-E311 WeakPolarHBondContact O-CG 3.49Å; K307-E311 PolarHBondContact O-N 2.95Å; K307-Y318 HydrophobicContact CB-CD1 3.75Å; K307-Y318 HydrophobicContact CB-CE1 4.4Å; K307-Y318 HydrophobicContact CB-CG 4.04Å; K307-Y318 HydrophobicContact CG-CD1 4.27Å; K307-Y318 HydrophobicContact CG-CG 4.37Å; K307-E319 IonicContact NZ-OE1 3.71Å; K307-E319 PolarHBondContact NZ-OE1 3.26Å |
| 308 | S | 77 | Confident | 68.8 | Low | 56 Ų | 56 | 46.2 Ų | 46.2 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 178 | -176 | 0 | 0 | 0 | 0 | 112.2 | A304 V305 S312 | A304-S308 PolarHBondContact O-N 2.99Å; V305-S308 PolarHBondContact O-N 3.12Å; S308-S312 WeakPolarHBondContact O-CB 3.45Å; S308-S312 PolarHBondContact O-N 3.35Å; S308-S312 PolarHBondContact O-OG 3.04Å |
| 309 | I | 80.7 | Confident | 67.6 | Low | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63 | -46.9 | 179.2 | -71 | 171.8 | 0 | 0 | 0 | 110.2 | A248 R278 L281 L298 V301 V305 G306 K307 S312 F313 | A248-I309 HydrophobicContact CB-CD1 4.44Å; A248-I309 HydrophobicContact CB-CG1 4.07Å; R278-I309 HydrophobicContact CG-CD1 4.15Å; L281-I309 HydrophobicContact CD2-CD1 4.31Å; L281-I309 HydrophobicContact CD2-CG2 3.44Å; L281-I309 VanDerWaalsContact CD2-CG2 3.44Å; L298-I309 HydrophobicContact CD2-CB 4.21Å; L298-I309 HydrophobicContact CD2-CD1 4.32Å; L298-I309 HydrophobicContact CD2-CG2 3.88Å; V301-I309 HydrophobicContact CG1-CD1 4.29Å; V305-I309 HydrophobicContact CG1-CD1 3.73Å; V305-I309 HydrophobicContact CG1-CG1 4.15Å; V305-I309 WeakPolarHBondContact O-CB 3.44Å; V305-I309 VanDerWaalsContact O-CG1 3.26Å; V305-I309 WeakPolarHBondContact O-CG1 3.39Å; V305-I309 PolarHBondContact O-N 3.39Å; G306-I309 PolarHBondContact O-N 2.92Å; K307-I309 PolarHBondContact O-N 2.97Å; I309-S312 PolarHBondContact O-N 3.22Å; I309-F313 HydrophobicContact CG2-CD2 4.32Å; I309-F313 HydrophobicContact CG2-CE2 3.69Å; I309-F313 WeakPolarHBondContact O-CD2 3.44Å; I309-F313 PolarHBondContact O-N 3.09Å |
| 310 | F | 76.6 | Confident | 66.7 | Low | 26 Ų | 26 | 53.1 Ų | 53.1 | 11% | 0.114 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | -178.9 | -170.9 | -95 | 0 | 0 | 0 | 112.1 | L176 G306 K307 S312 F313 G316 Y318 L321 | L176-F310 HydrophobicContact CD2-CE2 4.15Å; L176-F310 HydrophobicContact CD2-CZ 3.94Å; G306-F310 WeakPolarHBondContact O-CB 3.43Å; G306-F310 PolarHBondContact O-N 3.44Å; K307-F310 PolarHBondContact O-N 3.5Å; F310-S312 VanDerWaalsContact C-N 3.32Å; F310-S312 PolarHBondContact O-N 3.1Å; F310-F313 PolarHBondContact O-N 2.97Å; F310-F313 VanDerWaalsContact O-N 3.15Å; F310-G316 WeakPolarHBondContact CE1-O 3.43Å; F310-Y318 HydrophobicContact CB-CD2 3.76Å; F310-Y318 HydrophobicContact CB-CG 4.43Å; F310-Y318 HydrophobicContact CD1-CD2 4.36Å; F310-Y318 AromaticContact CG-CD2 3.96Å; F310-Y318 HydrophobicContact CG-CD2 3.96Å; F310-L321 HydrophobicContact CD2-CD2 4.14Å; F310-L321 HydrophobicContact CE1-CB 4.33Å; F310-L321 HydrophobicContact CE2-CB 4.29Å; F310-L321 HydrophobicContact CE2-CD1 3.76Å; F310-L321 HydrophobicContact CE2-CD2 3.9Å; F310-L321 HydrophobicContact CE2-CG 4.2Å; F310-L321 HydrophobicContact CZ-CB 3.97Å; F310-L321 HydrophobicContact CZ-CD1 3.88Å; F310-L321 HydrophobicContact CZ-CD2 4.42Å; F310-L321 HydrophobicContact CZ-CG 4.31Å |
| 311 | E | 75.7 | Confident | 66.1 | Low | 87 Ų | 87 | 54.2 Ų | 54.2 | 41% | 0.407 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.2 | -34.3 | 177.4 | -72 | 175.2 | 174.6 | 0 | 0 | 112 | K307 F313 G314 | K307-E311 WeakPolarHBondContact CE-OE1 3.3Å; K307-E311 HydrophobicContact CG-CG 4.37Å; K307-E311 WeakPolarHBondContact CG-OE1 3.32Å; K307-E311 IonicContact NZ-OE1 2.7Å; K307-E311 WeakPolarHBondContact O-CB 3.49Å; K307-E311 WeakPolarHBondContact O-CG 3.49Å; K307-E311 PolarHBondContact O-N 2.95Å; E311-F313 PolarHBondContact O-N 3.38Å; E311-G314 PolarHBondContact O-N 2.99Å |
| 312 | S | 74.6 | Confident | 65.2 | Low | 53 Ų | 53 | 57.1 Ų | 57.1 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62 | -21.9 | 173.8 | -66.6 | 0 | 0 | 0 | 0 | 113.8 | S308 I309 F310 | S308-S312 WeakPolarHBondContact O-CB 3.45Å; S308-S312 PolarHBondContact O-N 3.35Å; S308-S312 PolarHBondContact O-OG 3.04Å; I309-S312 PolarHBondContact O-N 3.22Å; F310-S312 VanDerWaalsContact C-N 3.32Å; F310-S312 PolarHBondContact O-N 3.1Å |
| 313 | F | 70 | Confident | 64.2 | Low | 63 Ų | 63 | 59 Ų | 59 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -16.7 | 173.5 | -71.2 | -73.1 | 0 | 0 | 0 | 113.6 | V246 L281 V285 I309 F310 E311 Y315 | V246-F313 HydrophobicContact CG1-CD1 4.41Å; V246-F313 HydrophobicContact CG1-CE1 3.95Å; V246-F313 HydrophobicContact CG1-CE2 4.28Å; V246-F313 HydrophobicContact CG1-CZ 3.87Å; L281-F313 HydrophobicContact CD1-CZ 4.06Å; L281-F313 HydrophobicContact CD2-CE2 4.36Å; L281-F313 HydrophobicContact CD2-CZ 4.37Å; L281-F313 HydrophobicContact CG-CZ 4.44Å; V285-F313 HydrophobicContact CG2-CE1 4.01Å; V285-F313 HydrophobicContact CG2-CZ 4.04Å; I309-F313 HydrophobicContact CG2-CD2 4.32Å; I309-F313 HydrophobicContact CG2-CE2 3.69Å; I309-F313 WeakPolarHBondContact O-CD2 3.44Å; I309-F313 PolarHBondContact O-N 3.09Å; F310-F313 PolarHBondContact O-N 2.97Å; F310-F313 VanDerWaalsContact O-N 3.15Å; E311-F313 PolarHBondContact O-N 3.38Å; F313-Y315 HydrophobicContact CB-CD2 3.86Å; F313-Y315 HydrophobicContact CB-CE2 4.24Å; F313-Y315 WeakPolarHBondContact O-CD2 3.38Å; F313-Y315 VanDerWaalsContact O-CE2 3.26Å; F313-Y315 WeakPolarHBondContact O-CE2 3.47Å; F313-Y315 PolarHBondContact O-N 3.15Å |
| 314 | G | 59.8 | Low | 63.4 | Low | 66 Ų | 66 | 58.8 Ų | 58.8 | 68% | 0.68 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 11.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | E311 | E311-G314 PolarHBondContact O-N 2.99Š|
| 315 | Y | 59.1 | Low | 62.1 | Low | 139 Ų | 139 | 58.7 Ų | 58.7 | 55% | 0.545 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -95.2 | 1.5 | -175.6 | -67.1 | -76.7 | 0 | 0 | 0 | 115.6 | L176 F313 | L176-Y315 HydrophobicContact CB-CD1 4.34Å; L176-Y315 HydrophobicContact CB-CG 4.27Å; L176-Y315 HydrophobicContact CD2-CG 4.47Å; F313-Y315 HydrophobicContact CB-CD2 3.86Å; F313-Y315 HydrophobicContact CB-CE2 4.24Å; F313-Y315 WeakPolarHBondContact O-CD2 3.38Å; F313-Y315 VanDerWaalsContact O-CE2 3.26Å; F313-Y315 WeakPolarHBondContact O-CE2 3.47Å; F313-Y315 PolarHBondContact O-N 3.15Å |
| 316 | G | 54.2 | Low | 60.2 | Low | 29 Ų | 29 | 64.2 Ų | 64.2 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 151.9 | -177.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F310 | F310-G316 WeakPolarHBondContact CE1-O 3.43Š|
| 317 | T | 50.2 | Low | 58 | Low | 55 Ų | 55 | 72.6 Ų | 72.6 | 34% | 0.337 | 41% | 0.407 | S | S | . | . | trans | -87.7 | 143.7 | 173.5 | 63 | 0 | 0 | 0 | 0 | 110.5 | E319 Q320 L321 | T317-E319 PolarHBondContact O-N 3.14Å; T317-E319 VanDerWaalsContact O-N 3.15Å; T317-Q320 WeakPolarHBondContact O-CB 3.46Å; T317-Q320 PolarHBondContact O-N 3.02Å; T317-Q320 VanDerWaalsContact OG1-CG 3.31Å; T317-Q320 WeakPolarHBondContact OG1-CG 3.27Å; T317-Q320 PolarHBondContact OG1-N 3.4Å; T317-L321 PolarHBondContact O-N 3.05Å | ||
| 318 | Y | 52.8 | Low | 56.1 | Low | 35 Ų | 35 | 75 Ų | 75 | 14% | 0.137 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -57.9 | -28.5 | 175.1 | -174.4 | -115.2 | 0 | 0 | 0 | 112.1 | L298 T303 K307 F310 L321 I322 | L298-Y318 HydrophobicContact CD1-CD2 4.36Å; L298-Y318 HydrophobicContact CD1-CE2 3.71Å; T303-Y318 HydrophobicContact CG2-CE1 3.86Å; K307-Y318 HydrophobicContact CB-CD1 3.75Å; K307-Y318 HydrophobicContact CB-CE1 4.4Å; K307-Y318 HydrophobicContact CB-CG 4.04Å; K307-Y318 HydrophobicContact CG-CD1 4.27Å; K307-Y318 HydrophobicContact CG-CG 4.37Å; F310-Y318 HydrophobicContact CB-CD2 3.76Å; F310-Y318 HydrophobicContact CB-CG 4.43Å; F310-Y318 HydrophobicContact CD1-CD2 4.36Å; F310-Y318 AromaticContact CG-CD2 3.96Å; F310-Y318 HydrophobicContact CG-CD2 3.96Å; Y318-L321 HydrophobicContact CD2-CD2 4.32Å; Y318-L321 HydrophobicContact CE2-CD2 4.28Å; Y318-L321 WeakPolarHBondContact O-CB 3.4Å; Y318-L321 PolarHBondContact O-N 3.29Å; Y318-I322 HydrophobicContact CD1-CD1 3.48Å; Y318-I322 VanDerWaalsContact CD1-CD1 3.48Å; Y318-I322 HydrophobicContact CD1-CG1 4.23Å; Y318-I322 HydrophobicContact CE1-CD1 3.1Å; Y318-I322 HydrophobicContact CE1-CG1 3.95Å; Y318-I322 HydrophobicContact CE2-CD1 4.48Å; Y318-I322 HydrophobicContact CG-CD1 4.34Å; Y318-I322 WeakPolarHBondContact O-CG1 3.15Å; Y318-I322 PolarHBondContact O-N 3.24Å |
| 319 | E | 53.1 | Low | 53.6 | Low | 116 Ų | 116 | 78.4 Ų | 78.4 | 54% | 0.542 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.1 | -37.2 | 173.6 | -71.6 | 157.1 | -155.6 | 0 | 0 | 112.6 | K307 T317 A323 | K307-E319 IonicContact NZ-OE1 3.71Å; K307-E319 PolarHBondContact NZ-OE1 3.26Å; T317-E319 PolarHBondContact O-N 3.14Å; T317-E319 VanDerWaalsContact O-N 3.15Å; E319-A323 WeakPolarHBondContact O-CB 3.36Å; E319-A323 PolarHBondContact O-N 3.19Å |
| 320 | Q | 53.3 | Low | 51 | Low | 122 Ų | 122 | 86.5 Ų | 86.5 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.1 | -39.9 | 173.1 | -73.6 | 166.3 | -16 | 0 | 0 | 111.3 | T317 T324 | T317-Q320 WeakPolarHBondContact O-CB 3.46Å; T317-Q320 PolarHBondContact O-N 3.02Å; T317-Q320 VanDerWaalsContact OG1-CG 3.31Å; T317-Q320 WeakPolarHBondContact OG1-CG 3.27Å; T317-Q320 PolarHBondContact OG1-N 3.4Å; Q320-T324 WeakPolarHBondContact O-CG2 3.26Å; Q320-T324 PolarHBondContact O-N 3.22Å |
| 321 | L | 53.4 | Low | 48.6 | Very low | 57 Ų | 57 | 91.6 Ų | 91.6 | 30% | 0.298 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -47.9 | 175.6 | -169 | 90.9 | 0 | 0 | 0 | 111.1 | F310 T317 Y318 A323 T324 | F310-L321 HydrophobicContact CD2-CD2 4.14Å; F310-L321 HydrophobicContact CE1-CB 4.33Å; F310-L321 HydrophobicContact CE2-CB 4.29Å; F310-L321 HydrophobicContact CE2-CD1 3.76Å; F310-L321 HydrophobicContact CE2-CD2 3.9Å; F310-L321 HydrophobicContact CE2-CG 4.2Å; F310-L321 HydrophobicContact CZ-CB 3.97Å; F310-L321 HydrophobicContact CZ-CD1 3.88Å; F310-L321 HydrophobicContact CZ-CD2 4.42Å; F310-L321 HydrophobicContact CZ-CG 4.31Å; T317-L321 PolarHBondContact O-N 3.05Å; Y318-L321 HydrophobicContact CD2-CD2 4.32Å; Y318-L321 HydrophobicContact CE2-CD2 4.28Å; Y318-L321 WeakPolarHBondContact O-CB 3.4Å; Y318-L321 PolarHBondContact O-N 3.29Å; L321-A323 PolarHBondContact O-N 3.48Å; L321-T324 PolarHBondContact O-N 3.5Å; L321-T324 PolarHBondContact O-OG1 3.02Å |
| 322 | I | 51.9 | Low | 46.3 | Very low | 72 Ų | 72 | 95.9 Ų | 95.9 | 37% | 0.369 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 177.7 | -70.6 | 174.5 | 0 | 0 | 0 | 111.2 | Y318 T324 G325 | Y318-I322 HydrophobicContact CD1-CD1 3.48Å; Y318-I322 VanDerWaalsContact CD1-CD1 3.48Å; Y318-I322 HydrophobicContact CD1-CG1 4.23Å; Y318-I322 HydrophobicContact CE1-CD1 3.1Å; Y318-I322 HydrophobicContact CE1-CG1 3.95Å; Y318-I322 HydrophobicContact CE2-CD1 4.48Å; Y318-I322 HydrophobicContact CG-CD1 4.34Å; Y318-I322 WeakPolarHBondContact O-CG1 3.15Å; Y318-I322 PolarHBondContact O-N 3.24Å; I322-T324 PolarHBondContact O-N 2.85Å; I322-T324 VanDerWaalsContact O-N 3.14Å; I322-G325 WeakPolarHBondContact O-CA 3.23Å; I322-G325 PolarHBondContact O-N 3.1Å |
| 323 | A | 44.8 | Very low | 44.1 | Very low | 68 Ų | 68 | 101.1 Ų | 101.1 | 56% | 0.562 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.6 | -28.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E319 L321 G325 F328 | E319-A323 WeakPolarHBondContact O-CB 3.36Å; E319-A323 PolarHBondContact O-N 3.19Å; L321-A323 PolarHBondContact O-N 3.48Å; A323-G325 VanDerWaalsContact C-N 3.28Å; A323-G325 PolarHBondContact O-N 3.23Å; A323-F328 WeakPolarHBondContact O-CE2 3.3Å |
| 324 | T | 50 | Low | 42 | Very low | 54 Ų | 54 | 107 Ų | 107 | 33% | 0.331 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.2 | -14.4 | 173.6 | 64.4 | 0 | 0 | 0 | 0 | 114.6 | Q320 L321 I322 F328 | Q320-T324 WeakPolarHBondContact O-CG2 3.26Å; Q320-T324 PolarHBondContact O-N 3.22Å; L321-T324 PolarHBondContact O-N 3.5Å; L321-T324 PolarHBondContact O-OG1 3.02Å; I322-T324 PolarHBondContact O-N 2.85Å; I322-T324 VanDerWaalsContact O-N 3.14Å; T324-F328 HydrophobicContact CG2-CE2 4.41Å; T324-F328 WeakPolarHBondContact O-CD2 3.5Å |
| 325 | G | 42.1 | Very low | 40.5 | Very low | 46 Ų | 46 | 110.3 Ų | 110.3 | 47% | 0.474 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.3 | -21.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | I322 A323 | I322-G325 WeakPolarHBondContact O-CA 3.23Å; I322-G325 PolarHBondContact O-N 3.1Å; A323-G325 VanDerWaalsContact C-N 3.28Å; A323-G325 PolarHBondContact O-N 3.23Å |
| 326 | D | 37.8 | Very low | 38.8 | Very low | 132 Ų | 132 | 113 Ų | 113 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -102.2 | -24.6 | -169 | -82.1 | -18.7 | 0 | 0 | 0 | 115.4 | ||
| 327 | Q | 27.8 | Very low | 37.5 | Very low | 177 Ų | 177 | 118.5 Ų | 118.5 | 83% | 0.827 | 62% | 0.619 | S | S | * | * | trans | -157.9 | 84.9 | 176.9 | -66.1 | -175.2 | -2.9 | 0 | 0 | 112.9 | ||||
| 328 | F | 32.7 | Very low | 36.2 | Very low | 119 Ų | 119 | 120.9 Ų | 120.9 | 52% | 0.522 | 64% | 0.638 | S | S | . | * | trans | -126 | 84.5 | 172.1 | -90.9 | -92.9 | 0 | 0 | 0 | 112.9 | A323 T324 I331 | A323-F328 WeakPolarHBondContact O-CE2 3.3Å; T324-F328 HydrophobicContact CG2-CE2 4.41Å; T324-F328 WeakPolarHBondContact O-CD2 3.5Å; F328-I331 HydrophobicContact CD1-CB 4.44Å; F328-I331 HydrophobicContact CD1-CD1 4.48Å; F328-I331 HydrophobicContact CE1-CB 4.14Å; F328-I331 HydrophobicContact CE1-CD1 3.66Å; F328-I331 HydrophobicContact CE1-CG1 4.46Å; F328-I331 HydrophobicContact CZ-CD1 4.4Å | ||
| 329 | T | 25 | Very low | 34.9 | Very low | 128 Ų | 128 | 129 Ų | 129 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -110.6 | 123.1 | 148.1 | 44.3 | 0 | 0 | 0 | 0 | 105.5 | ||
| 330 | H | 25.9 | Very low | 33.5 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 80% | 0.801 | 69% | 0.686 | S | S | * | * | trans | 80.2 | 97.5 | -166.8 | -60.6 | -88.1 | 0 | 0 | 0 | 115.2 | ||||
| 331 | I | 27.1 | Very low | 32.2 | Very low | 133 Ų | 133 | 130 Ų | 130 | 68% | 0.682 | 69% | 0.693 | S | S | * | * | -171.7 | 83.5 | 125.7 | -83.9 | 145.3 | 0 | 0 | 0 | 105.1 | F328 | F328-I331 HydrophobicContact CD1-CB 4.44Å; F328-I331 HydrophobicContact CD1-CD1 4.48Å; F328-I331 HydrophobicContact CE1-CB 4.14Å; F328-I331 HydrophobicContact CE1-CD1 3.66Å; F328-I331 HydrophobicContact CE1-CG1 4.46Å; F328-I331 HydrophobicContact CZ-CD1 4.4Å | |||
| 332 | L | 26.3 | Very low | 30.8 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 92% | 0.921 | 72% | 0.723 | S | S | * | * | trans | -105 | 81.9 | 153.6 | -93.2 | 168.3 | 0 | 0 | 0 | 104.5 | ||||
| 333 | Q | 28.8 | Very low | 29.5 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -166.1 | 106.8 | 163.6 | -110.5 | 164 | 1.5 | 0 | 0 | 108.7 | ||
| 334 | E | 26.1 | Very low | 28.5 | Very low | 186 Ų | 186 | 145.8 Ų | 145.8 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | trans | 42.2 | 96.8 | 144.6 | -63.2 | 177.2 | 169.8 | 0 | 0 | 117.6 | ||||
| 335 | T | 27.2 | Very low | 27.3 | Very low | 137 Ų | 137 | 150 Ų | 150 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -146.6 | 108.7 | 137.3 | 39.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 336 | E | 23.9 | Very low | 26.5 | Very low | 195 Ų | 195 | 154.1 Ų | 154.1 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -60 | 129.8 | 162.4 | -64.4 | 175.3 | 147.8 | 0 | 0 | 109.7 | ||||
| 337 | L | 27.3 | Very low | 25.8 | Very low | 145 Ų | 145 | 153.1 Ų | 153.1 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -143.5 | 92.2 | 159.8 | -104.7 | 152.4 | 0 | 0 | 0 | 108.6 | Y339 | L337-Y339 HydrophobicContact CD2-CD2 3.91Å; L337-Y339 HydrophobicContact CD2-CE2 3.65Å | ||
| 338 | S | 22.4 | Very low | 25.8 | Very low | 104 Ų | 104 | 153.2 Ų | 153.2 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -74.3 | 120.2 | 167.4 | 157.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 339 | Y | 27.1 | Very low | 25.4 | Very low | 205 Ų | 205 | 152.7 Ų | 152.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -130.3 | 115.5 | 160.4 | -94.5 | -85.8 | 0 | 0 | 0 | 111 | L337 | L337-Y339 HydrophobicContact CD2-CD2 3.91Å; L337-Y339 HydrophobicContact CD2-CE2 3.65Å | ||
| 340 | H | 23.2 | Very low | 25.5 | Very low | 189 Ų | 189 | 155 Ų | 155 | 88% | 0.875 | 82% | 0.815 | S | S | * | * | trans | -77.8 | 125.6 | 162.1 | -82 | -24.2 | 0 | 0 | 0 | 109.3 | ||||
| 341 | G | 25.8 | Very low | 25.7 | Very low | 71 Ų | 71 | 151.3 Ų | 151.3 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -153.6 | 96.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V343 | G341-V343 PolarHBondContact O-N 3.07Š| ||
| 342 | K | 22.7 | Very low | 25.6 | Very low | 210 Ų | 210 | 151.7 Ų | 151.7 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | trans | -60.3 | 127.4 | 161 | -86.7 | 176.3 | 169.5 | 178.5 | 0 | 108.4 | Q344 | K342-Q344 PolarHBondContact O-N 2.61Š| ||
| 343 | V | 25.7 | Very low | 25.6 | Very low | 138 Ų | 138 | 150.3 Ų | 150.3 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -66.9 | 114.9 | 168.4 | 178.8 | 0 | 0 | 0 | 0 | 108 | G341 | G341-V343 PolarHBondContact O-N 3.07Š| ||
| 344 | Q | 23.5 | Very low | 25.7 | Very low | 180 Ų | 180 | 150.4 Ų | 150.4 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | -101.2 | 107.3 | 175.9 | -156.8 | 170.5 | 6.4 | 0 | 0 | 107 | K342 V346 | K342-Q344 PolarHBondContact O-N 2.61Å; Q344-V346 PolarHBondContact O-N 2.85Å | ||
| 345 | L | 24.9 | Very low | 25.7 | Very low | 144 Ų | 144 | 150.7 Ų | 150.7 | 75% | 0.754 | 81% | 0.813 | S | S | * | * | trans | -68.9 | 118.2 | 176.7 | -82.3 | 153 | 0 | 0 | 0 | 109.7 | ||||
| 346 | V | 25.4 | Very low | 25.7 | Very low | 131 Ų | 131 | 152.6 Ų | 152.6 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -97.9 | 104.5 | 166.7 | 177.9 | 0 | 0 | 0 | 0 | 107.1 | Q344 | Q344-V346 PolarHBondContact O-N 2.85Š| ||
| 347 | S | 23.8 | Very low | 25.9 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -85.3 | 121.3 | 168.5 | 55.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 348 | E | 27.5 | Very low | 25.8 | Very low | 178 Ų | 178 | 152.7 Ų | 152.7 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -131 | 102.9 | 158.1 | -102.4 | -179.5 | 174.7 | 0 | 0 | 110 | ||||
| 349 | S | 24.5 | Very low | 26.1 | Very low | 108 Ų | 108 | 153.7 Ų | 153.7 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | 6.3 | 118.8 | 149.7 | 52.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 350 | L | 27.2 | Very low | 26.1 | Very low | 178 Ų | 178 | 151.5 Ų | 151.5 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | trans | -131.5 | 120.1 | 139.1 | -86.8 | 167.9 | 0 | 0 | 0 | 109.7 | ||||
| 351 | S | 28.3 | Very low | 26.3 | Very low | 94 Ų | 94 | 150 Ų | 150 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | trans | -47.5 | 139.1 | -178.4 | 48.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 352 | D | 26.3 | Very low | 26.2 | Very low | 142 Ų | 142 | 152.9 Ų | 152.9 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | 32.5 | 105.9 | 124.6 | -55.8 | -18.4 | 0 | 0 | 0 | 118.2 | |||||
| 353 | N | 26.8 | Very low | 26.6 | Very low | 147 Ų | 147 | 149.8 Ų | 149.8 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | 167 | 122.9 | 115 | -81.4 | -38.7 | 0 | 0 | 0 | 107.8 | |||||
| 354 | D | 29.8 | Very low | 26.6 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | 157.6 | 71.2 | 144.4 | -74.1 | -13.8 | 0 | 0 | 0 | 108.2 | E356 | D354-E356 PolarHBondContact O-N 3.46Š| ||
| 355 | E | 26.8 | Very low | 26.9 | Very low | 193 Ų | 193 | 146.5 Ų | 146.5 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | -68.6 | 112 | 149.8 | -73.6 | -179 | 159.9 | 0 | 0 | 106.5 | ||||
| 356 | E | 27.5 | Very low | 27.2 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | 171.5 | 132.3 | 142.2 | -94.9 | 168.8 | -170.1 | 0 | 0 | 110.6 | D354 | D354-E356 PolarHBondContact O-N 3.46Š| ||
| 357 | N | 27.1 | Very low | 27.4 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | 99 | 61.4 | 169.3 | -48.8 | -44.9 | 0 | 0 | 0 | 117.9 | E359 | N357-E359 PolarHBondContact O-N 3.25Å; N357-E359 VanDerWaalsContact O-N 3.08Å | ||
| 358 | E | 26.6 | Very low | 28.3 | Very low | 203 Ų | 203 | 140.2 Ų | 140.2 | 95% | 0.949 | 72% | 0.722 | S | S | * | * | trans | -71.2 | 76.7 | 144.3 | -80.3 | -170.5 | 151.9 | 0 | 0 | 109.8 | ||||
| 359 | E | 26.8 | Very low | 28.8 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 58% | 0.584 | 71% | 0.714 | S | S | * | * | trans | -88.2 | 104.8 | 156.6 | -80.4 | -171.5 | 156 | 0 | 0 | 108.2 | N357 Y361 | N357-E359 PolarHBondContact O-N 3.25Å; N357-E359 VanDerWaalsContact O-N 3.08Å; E359-Y361 HydrophobicContact CB-CD2 3.97Å; E359-Y361 HydrophobicContact CB-CE2 3.49Å; E359-Y361 VanDerWaalsContact CB-CE2 3.49Å; E359-Y361 VanDerWaalsContact O-CD2 3.23Å; E359-Y361 WeakPolarHBondContact O-CD2 3.39Å; E359-Y361 PolarHBondContact O-N 2.92Å; E359-Y361 WeakPolarHBondContact OE2-CE2 3.46Å; E359-Y361 VanDerWaalsContact OE2-CZ 3.23Å; E359-Y361 PolarHBondContact OE2-OH 3.5Å | ||
| 360 | L | 27.2 | Very low | 29.8 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | trans | -60 | 81.8 | 171.2 | -168.1 | 82.8 | 0 | 0 | 0 | 109.8 | D362 | L360-D362 VanDerWaalsContact C-N 3.27Å; L360-D362 PolarHBondContact O-N 2.78Å | ||
| 361 | Y | 28.3 | Very low | 30.8 | Very low | 157 Ų | 157 | 138 Ų | 138 | 62% | 0.616 | 69% | 0.692 | S | S | * | * | trans | -77.9 | 82.2 | 169.9 | -73.3 | -78.1 | 0 | 0 | 0 | 109.5 | E359 F363 | E359-Y361 HydrophobicContact CB-CD2 3.97Å; E359-Y361 HydrophobicContact CB-CE2 3.49Å; E359-Y361 VanDerWaalsContact CB-CE2 3.49Å; E359-Y361 VanDerWaalsContact O-CD2 3.23Å; E359-Y361 WeakPolarHBondContact O-CD2 3.39Å; E359-Y361 PolarHBondContact O-N 2.92Å; E359-Y361 WeakPolarHBondContact OE2-CE2 3.46Å; E359-Y361 VanDerWaalsContact OE2-CZ 3.23Å; E359-Y361 PolarHBondContact OE2-OH 3.5Å; Y361-F363 VanDerWaalsContact C-N 3.29Å; Y361-F363 PolarHBondContact O-N 2.77Å | ||
| 362 | D | 24.3 | Very low | 31.8 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | trans | -55.4 | 96.5 | 158.7 | -106.2 | -17.2 | 0 | 0 | 0 | 107.8 | L360 E364 | L360-D362 VanDerWaalsContact C-N 3.27Å; L360-D362 PolarHBondContact O-N 2.78Å; D362-E364 VanDerWaalsContact C-N 3.26Å; D362-E364 PolarHBondContact O-N 3.09Å | ||
| 363 | F | 30.6 | Very low | 33.5 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 64% | 0.64 | 69% | 0.69 | S | S | * | * | trans | -83.3 | 89 | 157 | -125.7 | -111.8 | 0 | 0 | 0 | 105.6 | K258 V263 Y361 I365 | K258-F363 VanDerWaalsContact NZ-CG 3.33Å; V263-F363 HydrophobicContact CG2-CB 4.4Å; Y361-F363 VanDerWaalsContact C-N 3.29Å; Y361-F363 PolarHBondContact O-N 2.77Å; F363-I365 PolarHBondContact O-N 2.92Å; F363-I365 VanDerWaalsContact O-N 3.14Å | ||
| 364 | E | 25.8 | Very low | 35.7 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 65% | 0.645 | 66% | 0.658 | S | S | * | * | trans | -48.3 | 123 | 161.7 | -71.4 | -177.3 | 140.6 | 0 | 0 | 107.3 | D362 S366 P367 | D362-E364 VanDerWaalsContact C-N 3.26Å; D362-E364 PolarHBondContact O-N 3.09Å; E364-S366 VanDerWaalsContact C-N 3.28Å; E364-S366 PolarHBondContact O-N 2.84Å; E364-P367 HydrophobicContact CB-CG 4.38Å | ||
| 365 | I | 30.2 | Very low | 38.1 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 56% | 0.564 | 63% | 0.632 | S | S | * | * | trans | -48.3 | 107.7 | 155.3 | -65.6 | 163.3 | 0 | 0 | 0 | 103.5 | V263 F363 P367 | V263-I365 HydrophobicContact CG1-CG1 3.82Å; F363-I365 PolarHBondContact O-N 2.92Å; F363-I365 VanDerWaalsContact O-N 3.14Å; I365-P367 VanDerWaalsContact C-N 3.32Å; I365-P367 WeakPolarHBondContact O-CA 3.35Å; I365-P367 WeakPolarHBondContact O-CD 3.31Å | ||
| 366 | S | 30 | Very low | 40.8 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 72% | 0.72 | 62% | 0.622 | S | S | * | * | trans | -38.2 | 100 | -169.2 | 54.7 | 0 | 0 | 0 | 0 | 108.1 | E364 E368 | E364-S366 VanDerWaalsContact C-N 3.28Å; E364-S366 PolarHBondContact O-N 2.84Å; S366-E368 PolarHBondContact O-N 2.83Å | ||
| 367 | P | 30.4 | Very low | 43.6 | Very low | 70 Ų | 70 | 122.5 Ų | 122.5 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | trans | -70.1 | 113.9 | -171.9 | 23.2 | -23.8 | 0 | 0 | 0 | 100.5 | E364 I365 E369 | E364-P367 HydrophobicContact CB-CG 4.38Å; I365-P367 VanDerWaalsContact C-N 3.32Å; I365-P367 WeakPolarHBondContact O-CA 3.35Å; I365-P367 WeakPolarHBondContact O-CD 3.31Å; P367-E369 WeakPolarHBondContact O-CA 3.32Å; P367-E369 PolarHBondContact O-N 3.24Å | ||
| 368 | E | 42.3 | Very low | 46.5 | Very low | 82 Ų | 82 | 116.3 Ų | 116.3 | 38% | 0.383 | 58% | 0.576 | S | S | . | * | trans | -31.5 | 106.4 | -175.8 | -83 | -172.9 | 170.8 | 0 | 0 | 107.4 | S366 K370 N507 Y511 | S366-E368 PolarHBondContact O-N 2.83Å; E368-K370 VanDerWaalsContact C-N 3.26Å; E368-K370 PolarHBondContact O-N 2.97Å; E368-N507 PolarHBondContact OE1-ND2 3.38Å; E368-Y511 VanDerWaalsContact CD-OH 3.25Å; E368-Y511 PolarHBondContact OE1-OH 2.71Å; E368-Y511 PolarHBondContact OE2-OH 3.1Å; E368-Y511 VanDerWaalsContact OE2-OH 3.14Å | ||
| 369 | E | 38.3 | Very low | 49.2 | Very low | 141 Ų | 141 | 109.2 Ų | 109.2 | 66% | 0.659 | 54% | 0.541 | S | S | * | . | trans | -55.3 | 104.7 | -168.9 | -88.9 | -172.7 | 173 | 0 | 0 | 104.6 | P367 H371 R615 | P367-E369 WeakPolarHBondContact O-CA 3.32Å; P367-E369 PolarHBondContact O-N 3.24Å; E369-H371 PolarHBondContact O-N 3.27Å; E369-H371 IonicContact OE2-CE1 2.8Å; E369-H371 PolarHBondContact OE2-CE1 3.31Å; E369-H371 VanDerWaalsContact OE2-CE1 3.3Å; E369-R615 PolarHBondContact O-NH2 2.92Å | ||
| 370 | K | 44.4 | Very low | 52 | Low | 176 Ų | 176 | 108.3 Ų | 108.3 | 77% | 0.765 | 54% | 0.54 | S | S | * | . | trans | -74 | 86.1 | 179.1 | -83.2 | -177 | -179.7 | 172.3 | 0 | 102 | E368 L372 | E368-K370 VanDerWaalsContact C-N 3.26Å; E368-K370 PolarHBondContact O-N 2.97Å; K370-L372 PolarHBondContact O-N 3.24Å | ||
| 371 | H | 49.1 | Very low | 54.9 | Low | 102 Ų | 102 | 102.8 Ų | 102.8 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | trans | -51.4 | 110.6 | 168.1 | -69.6 | -47.2 | 0 | 0 | 0 | 105.6 | E369 G373 | E369-H371 PolarHBondContact O-N 3.27Å; E369-H371 IonicContact OE2-CE1 2.8Å; E369-H371 PolarHBondContact OE2-CE1 3.31Å; E369-H371 VanDerWaalsContact OE2-CE1 3.3Å; H371-G373 PolarHBondContact O-N 3.14Å | ||
| 372 | L | 49.3 | Very low | 57.6 | Low | 181 Ų | 181 | 95.3 Ų | 95.3 | 95% | 0.948 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -67.2 | 99.7 | 179.1 | -100.4 | 95 | 0 | 0 | 0 | 106.9 | K370 | K370-L372 PolarHBondContact O-N 3.24Š|
| 373 | G | 62.2 | Low | 60.4 | Low | 41 Ų | 41 | 90.7 Ų | 90.7 | 42% | 0.423 | 46% | 0.459 | S | S | . | . | S | Bend | trans | 100.1 | 140.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | H371 | H371-G373 PolarHBondContact O-N 3.14Š|
| 374 | V | 73.3 | Confident | 63.2 | Low | 18 Ų | 18 | 93.1 Ų | 93.1 | 11% | 0.109 | 46% | 0.463 | C | S | . | . | trans | -83.9 | 133.8 | 178.7 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | T378 Y379 M610 V611 | V374-T378 HydrophobicContact CG1-CG2 3.69Å; V374-Y379 HydrophobicContact CB-CE2 3.99Å; V374-Y379 HydrophobicContact CG1-CD2 4.22Å; V374-Y379 HydrophobicContact CG1-CE2 3.71Å; V374-M610 HydrophobicContact CB-CB 4.38Å; V374-M610 HydrophobicContact CG1-CB 4.07Å; V374-M610 HydrophobicContact CG2-CB 3.9Å; V374-V611 HydrophobicContact CG2-CB 4.4Å; V374-V611 HydrophobicContact CG2-CG2 3.66Å | ||
| 375 | S | 80.3 | Confident | 66.1 | Low | 49 Ų | 49 | 88.1 Ų | 88.1 | 34% | 0.343 | 44% | 0.44 | S | S | . | . | trans | -62.5 | 138.7 | 176.1 | -170.9 | 0 | 0 | 0 | 0 | 112.3 | K377 T378 E614 | S375-K377 PolarHBondContact O-N 3.43Å; S375-T378 WeakPolarHBondContact O-CB 3.27Å; S375-T378 PolarHBondContact O-N 3.11Å; S375-T378 PolarHBondContact O-OG1 2.93Å; S375-E614 PolarHBondContact N-OE1 3.48Å | ||
| 376 | Y | 82.4 | Confident | 68.7 | Low | 172 Ų | 172 | 83.2 Ų | 83.2 | 68% | 0.675 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -56.9 | -26 | 174.3 | 77.8 | -94.1 | 0 | 0 | 0 | 112.7 | T378 Y379 L380 | Y376-T378 PolarHBondContact O-N 2.87Å; Y376-Y379 PolarHBondContact O-N 2.89Å; Y376-L380 PolarHBondContact O-N 2.84Å |
| 377 | K | 87.3 | Confident | 71.3 | Confident | 129 Ų | 129 | 79.4 Ų | 79.4 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.2 | -32.3 | 175.4 | -69.3 | 177.7 | 178.2 | 173.7 | 0 | 112 | S375 L380 T381 | S375-K377 PolarHBondContact O-N 3.43Å; K377-L380 PolarHBondContact O-N 2.86Å; K377-T381 WeakPolarHBondContact O-CB 3.36Å; K377-T381 PolarHBondContact O-N 2.7Å; K377-T381 PolarHBondContact O-OG1 3.05Å |
| 378 | T | 86.7 | Confident | 73.8 | Confident | 9 Ų | 9 | 82.2 Ų | 82.2 | 6% | 0.055 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 178.3 | -59.2 | 0 | 0 | 0 | 0 | 110.4 | V374 S375 Y376 L380 T381 Y382 V613 E614 I617 | V374-T378 HydrophobicContact CG1-CG2 3.69Å; S375-T378 WeakPolarHBondContact O-CB 3.27Å; S375-T378 PolarHBondContact O-N 3.11Å; S375-T378 PolarHBondContact O-OG1 2.93Å; Y376-T378 PolarHBondContact O-N 2.87Å; T378-L380 PolarHBondContact O-N 3.04Å; T378-T381 PolarHBondContact O-N 3.06Å; T378-Y382 PolarHBondContact O-N 2.94Å; T378-V613 HydrophobicContact CG2-CB 4.46Å; T378-V613 HydrophobicContact CG2-CG1 4.25Å; T378-E614 HydrophobicContact CG2-CB 3.83Å; T378-E614 HydrophobicContact CG2-CG 4.34Å; T378-E614 PolarHBondContact OG1-OE1 2.99Å; T378-I617 HydrophobicContact CG2-CD1 4.06Å |
| 379 | Y | 84.1 | Confident | 75.8 | Confident | 53 Ų | 53 | 82.1 Ų | 82.1 | 21% | 0.208 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 175.1 | -66.5 | -91.9 | 0 | 0 | 0 | 112.5 | V374 Y376 T381 Y382 L383 W522 V606 M610 | V374-Y379 HydrophobicContact CB-CE2 3.99Å; V374-Y379 HydrophobicContact CG1-CD2 4.22Å; V374-Y379 HydrophobicContact CG1-CE2 3.71Å; Y376-Y379 PolarHBondContact O-N 2.89Å; Y379-T381 VanDerWaalsContact C-N 3.33Å; Y379-T381 PolarHBondContact O-N 2.84Å; Y379-Y382 PolarHBondContact O-N 2.99Å; Y379-L383 WeakPolarHBondContact O-CG 3.28Å; Y379-L383 PolarHBondContact O-N 2.78Å; Y379-W522 AromaticContact CD1-CH2 3.81Å; Y379-W522 HydrophobicContact CD1-CH2 3.81Å; Y379-W522 AromaticContact CD1-CZ3 3.96Å; Y379-W522 HydrophobicContact CD1-CZ3 3.96Å; Y379-W522 HydrophobicContact CE1-CH2 4.29Å; Y379-W522 HydrophobicContact CE1-CZ3 4.08Å; Y379-V606 HydrophobicContact CE1-CG1 4.22Å; Y379-M610 HydrophobicContact CD1-CG 4.09Å; Y379-M610 HydrophobicContact CD1-SD 3.85Å; Y379-M610 HydrophobicContact CE1-CB 4.35Å; Y379-M610 HydrophobicContact CE1-CG 3.49Å; Y379-M610 VanDerWaalsContact CE1-CG 3.49Å; Y379-M610 HydrophobicContact CE1-SD 3.91Å; Y379-M610 HydrophobicContact CG-SD 4.39Å |
| 380 | L | 85.7 | Confident | 78.1 | Confident | 106 Ų | 106 | 79.2 Ų | 79.2 | 56% | 0.555 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.9 | -39.9 | 179.3 | -174.3 | 65.4 | 0 | 0 | 0 | 111.7 | Y376 K377 T378 L383 R384 | Y376-L380 PolarHBondContact O-N 2.84Å; K377-L380 PolarHBondContact O-N 2.86Å; T378-L380 PolarHBondContact O-N 3.04Å; L380-L383 PolarHBondContact O-N 2.7Å; L380-R384 WeakPolarHBondContact O-CB 3.37Å; L380-R384 PolarHBondContact O-N 2.64Å |
| 381 | T | 86.9 | Confident | 80 | Confident | 44 Ų | 44 | 73.6 Ų | 73.6 | 27% | 0.27 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 177.2 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | K377 T378 Y379 L383 R384 E385 I617 | K377-T381 WeakPolarHBondContact O-CB 3.36Å; K377-T381 PolarHBondContact O-N 2.7Å; K377-T381 PolarHBondContact O-OG1 3.05Å; T378-T381 PolarHBondContact O-N 3.06Å; Y379-T381 VanDerWaalsContact C-N 3.33Å; Y379-T381 PolarHBondContact O-N 2.84Å; T381-L383 VanDerWaalsContact C-N 3.31Å; T381-L383 PolarHBondContact O-N 2.9Å; T381-R384 PolarHBondContact O-N 3.05Å; T381-R384 VanDerWaalsContact O-N 3.15Å; T381-E385 WeakPolarHBondContact O-CG 3.5Å; T381-E385 PolarHBondContact O-N 3.4Å; T381-E385 VanDerWaalsContact O-N 3.13Å; T381-I617 HydrophobicContact CG2-CD1 3.76Å; T381-I617 HydrophobicContact CG2-CG1 4.26Å; T381-I617 HydrophobicContact CG2-CG2 4.49Å |
| 382 | Y | 86.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.8 | -41.7 | 175.8 | -178.9 | -101.5 | 0 | 0 | 0 | 112.7 | T378 Y379 L477 S480 L484 L515 L518 W522 M610 V613 | T378-Y382 PolarHBondContact O-N 2.94Å; Y379-Y382 PolarHBondContact O-N 2.99Å; Y382-L477 HydrophobicContact CE1-CD2 3.78Å; Y382-S480 PolarHBondContact O-OG 2.97Å; Y382-L484 HydrophobicContact CD2-CD1 3.41Å; Y382-L484 VanDerWaalsContact CD2-CD1 3.41Å; Y382-L484 HydrophobicContact CE2-CD1 3.89Å; Y382-L484 HydrophobicContact CG-CD1 4.46Å; Y382-L515 HydrophobicContact CE2-CD1 4.09Å; Y382-L518 HydrophobicContact CD2-CD2 4.34Å; Y382-L518 HydrophobicContact CE1-CD2 4.39Å; Y382-L518 HydrophobicContact CE2-CD2 3.72Å; Y382-W522 HydrophobicContact CE1-CD2 4.49Å; Y382-M610 HydrophobicContact CD1-CE 4.2Å; Y382-M610 HydrophobicContact CD2-CE 4.49Å; Y382-M610 HydrophobicContact CE1-CE 4.44Å; Y382-M610 HydrophobicContact CG-CE 4.24Å; Y382-V613 HydrophobicContact CD2-CG1 3.92Å; Y382-V613 HydrophobicContact CD2-CG2 4.41Å; Y382-V613 HydrophobicContact CG-CG1 4.45Å |
| 383 | L | 83.9 | Confident | 83.3 | Confident | 35 Ų | 35 | 66.5 Ų | 66.5 | 18% | 0.183 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.6 | -34.4 | 176.4 | -68.5 | 175.8 | 0 | 0 | 0 | 112.8 | Y379 L380 T381 E385 I386 L392 W522 | Y379-L383 WeakPolarHBondContact O-CG 3.28Å; Y379-L383 PolarHBondContact O-N 2.78Å; L380-L383 PolarHBondContact O-N 2.7Å; T381-L383 VanDerWaalsContact C-N 3.31Å; T381-L383 PolarHBondContact O-N 2.9Å; L383-E385 VanDerWaalsContact C-N 3.28Å; L383-E385 PolarHBondContact O-N 2.91Å; L383-I386 HydrophobicContact CD2-CD1 3.92Å; L383-I386 VanDerWaalsContact O-CB 3.26Å; L383-I386 WeakPolarHBondContact O-CB 3.37Å; L383-I386 WeakPolarHBondContact O-CG1 3.2Å; L383-I386 PolarHBondContact O-N 3.1Å; L383-L392 HydrophobicContact CB-CD1 4.4Å; L383-L392 HydrophobicContact CB-CD2 4.24Å; L383-L392 HydrophobicContact CD1-CD1 4.32Å; L383-L392 HydrophobicContact CD1-CD2 4.4Å; L383-L392 HydrophobicContact CD2-CD1 4.12Å; L383-W522 HydrophobicContact CD2-CZ2 4.25Å |
| 384 | R | 87.8 | Confident | 84.4 | Confident | 196 Ų | 196 | 68.1 Ų | 68.1 | 74% | 0.74 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.3 | -29.9 | 177.4 | -168.7 | 174.3 | -177.1 | 168.5 | 0.7 | 112.4 | L380 T381 I386 G387 | L380-R384 WeakPolarHBondContact O-CB 3.37Å; L380-R384 PolarHBondContact O-N 2.64Å; T381-R384 PolarHBondContact O-N 3.05Å; T381-R384 VanDerWaalsContact O-N 3.15Å; R384-I386 PolarHBondContact O-N 3.19Å; R384-G387 PolarHBondContact O-N 3.21Å; R384-G387 VanDerWaalsContact O-O 3.12Å |
| 385 | E | 87.3 | Confident | 84.9 | Confident | 33 Ų | 33 | 67.8 Ų | 67.8 | 15% | 0.154 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -15.2 | 176.9 | -69.4 | -70.4 | 170.1 | 0 | 0 | 113.3 | T381 L383 G387 S480 R483 L484 R487 | T381-E385 WeakPolarHBondContact O-CG 3.5Å; T381-E385 PolarHBondContact O-N 3.4Å; T381-E385 VanDerWaalsContact O-N 3.13Å; L383-E385 VanDerWaalsContact C-N 3.28Å; L383-E385 PolarHBondContact O-N 2.91Å; E385-G387 PolarHBondContact O-N 3.26Å; E385-S480 WeakPolarHBondContact CB-OG 3.25Å; E385-R483 WeakPolarHBondContact O-CD 3.2Å; E385-R483 PolarHBondContact O-NH1 3.29Å; E385-L484 HydrophobicContact CB-CG 4.27Å; E385-L484 HydrophobicContact CG-CD1 4.49Å; E385-L484 HydrophobicContact CG-CD2 3.83Å; E385-L484 HydrophobicContact CG-CG 3.91Å; E385-R487 IonicContact OE1-NH1 2.77Å; E385-R487 PolarHBondContact OE1-NH1 3.47Å; E385-R487 VanDerWaalsContact OE1-NH1 3.13Å |
| 386 | I | 84.8 | Confident | 84.9 | Confident | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.036 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -39 | 171.8 | -64.8 | 174.1 | 0 | 0 | 0 | 110.7 | L383 R384 V391 R483 | L383-I386 HydrophobicContact CD2-CD1 3.92Å; L383-I386 VanDerWaalsContact O-CB 3.26Å; L383-I386 WeakPolarHBondContact O-CB 3.37Å; L383-I386 WeakPolarHBondContact O-CG1 3.2Å; L383-I386 PolarHBondContact O-N 3.1Å; R384-I386 PolarHBondContact O-N 3.19Å; I386-V391 HydrophobicContact CG2-CG1 3.99Å; I386-R483 PolarHBondContact O-NH1 3.03Å |
| 387 | G | 83.8 | Confident | 84.9 | Confident | 23 Ų | 23 | 63.2 Ų | 63.2 | 24% | 0.237 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 148.6 | -146.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R384 E385 | R384-G387 PolarHBondContact O-N 3.21Å; R384-G387 VanDerWaalsContact O-O 3.12Å; E385-G387 PolarHBondContact O-N 3.26Å |
| 388 | H | 84.7 | Confident | 84.7 | Confident | 129 Ų | 129 | 58.2 Ų | 58.2 | 60% | 0.597 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -62.1 | 141 | -179.8 | -163.2 | -94.2 | 0 | 0 | 0 | 110.8 | C390 V391 | H388-C390 PolarHBondContact CE1-SG 2.94Å; H388-C390 PolarHBondContact ND1-N 3.06Å; H388-C390 PolarHBondContact ND1-SG 3.19Å; H388-C390 PolarHBondContact O-N 2.82Å; H388-V391 WeakPolarHBondContact O-CB 2.94Å; H388-V391 PolarHBondContact O-N 3Å |
| 389 | P | 84 | Confident | 84.4 | Confident | 81 Ų | 81 | 58.2 Ų | 58.2 | 53% | 0.526 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -51 | -30.3 | 178.6 | -29.6 | 35.3 | 0 | 0 | 0 | 114.6 | V391 L392 V393 | P389-V391 PolarHBondContact O-N 2.95Å; P389-L392 WeakPolarHBondContact O-CB 3.45Å; P389-L392 PolarHBondContact O-N 3.4Å; P389-V393 PolarHBondContact O-N 3.2Å |
| 390 | C | 85.1 | Confident | 84.1 | Confident | 80 Ų | 80 | 59.9 Ų | 59.9 | 54% | 0.541 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.5 | -33.4 | 174.1 | -62.8 | 0 | 0 | 0 | 0 | 113.4 | H388 V393 C394 | H388-C390 PolarHBondContact CE1-SG 2.94Å; H388-C390 PolarHBondContact ND1-N 3.06Å; H388-C390 PolarHBondContact ND1-SG 3.19Å; H388-C390 PolarHBondContact O-N 2.82Å; C390-V393 PolarHBondContact O-N 2.93Å; C390-C394 VanDerWaalsContact O-CB 3.24Å; C390-C394 WeakPolarHBondContact O-CB 3.35Å; C390-C394 PolarHBondContact O-N 2.99Å |
| 391 | V | 85.2 | Confident | 83.9 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 35% | 0.345 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 176.8 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | I386 H388 P389 C394 L395 | I386-V391 HydrophobicContact CG2-CG1 3.99Å; H388-V391 WeakPolarHBondContact O-CB 2.94Å; H388-V391 PolarHBondContact O-N 3Å; P389-V391 PolarHBondContact O-N 2.95Å; V391-C394 PolarHBondContact O-N 2.83Å; V391-L395 HydrophobicContact CG1-CD1 4.25Å; V391-L395 WeakPolarHBondContact O-CB 3.39Å; V391-L395 VanDerWaalsContact O-CG 3.3Å; V391-L395 WeakPolarHBondContact O-CG 3.36Å; V391-L395 PolarHBondContact O-N 2.9Å |
| 392 | L | 82 | Confident | 83.7 | Confident | 40 Ų | 40 | 58.8 Ų | 58.8 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 176.5 | -177.1 | 65.2 | 0 | 0 | 0 | 111.2 | L383 P389 C394 L395 L396 | L383-L392 HydrophobicContact CB-CD1 4.4Å; L383-L392 HydrophobicContact CB-CD2 4.24Å; L383-L392 HydrophobicContact CD1-CD1 4.32Å; L383-L392 HydrophobicContact CD1-CD2 4.4Å; L383-L392 HydrophobicContact CD2-CD1 4.12Å; P389-L392 WeakPolarHBondContact O-CB 3.45Å; P389-L392 PolarHBondContact O-N 3.4Å; L392-C394 VanDerWaalsContact C-N 3.31Å; L392-C394 PolarHBondContact O-N 3.28Å; L392-L395 PolarHBondContact O-N 3.46Å; L392-L396 HydrophobicContact CG-CD1 4.23Å; L392-L396 WeakPolarHBondContact O-CB 3.43Å; L392-L396 VanDerWaalsContact O-CG 3.31Å; L392-L396 WeakPolarHBondContact O-CG 3.43Å; L392-L396 PolarHBondContact O-N 3.22Å |
| 393 | V | 85.3 | Confident | 83.4 | Confident | 95 Ų | 95 | 60.2 Ų | 60.2 | 58% | 0.576 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.6 | -42.5 | 175.3 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | P389 C390 L396 S397 | P389-V393 PolarHBondContact O-N 3.2Å; C390-V393 PolarHBondContact O-N 2.93Å; V393-L396 PolarHBondContact O-N 2.93Å; V393-S397 WeakPolarHBondContact O-CB 3.32Å; V393-S397 PolarHBondContact O-N 3.28Å; V393-S397 PolarHBondContact O-OG 2.72Å |
| 394 | C | 85.8 | Confident | 83.1 | Confident | 75 Ų | 75 | 60.5 Ų | 60.5 | 51% | 0.507 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 176.3 | -177.3 | 0 | 0 | 0 | 0 | 112.4 | C390 V391 L392 L396 S397 M398 | C390-C394 VanDerWaalsContact O-CB 3.24Å; C390-C394 WeakPolarHBondContact O-CB 3.35Å; C390-C394 PolarHBondContact O-N 2.99Å; V391-C394 PolarHBondContact O-N 2.83Å; L392-C394 VanDerWaalsContact C-N 3.31Å; L392-C394 PolarHBondContact O-N 3.28Å; C394-L396 VanDerWaalsContact C-N 3.33Å; C394-L396 PolarHBondContact O-N 3.01Å; C394-S397 WeakPolarHBondContact CA-OG 3.13Å; C394-S397 PolarHBondContact O-N 3.43Å; C394-S397 PolarHBondContact O-OG 3.37Å; C394-M398 VanDerWaalsContact O-CB 3.26Å; C394-M398 WeakPolarHBondContact O-CB 3.23Å; C394-M398 PolarHBondContact O-N 3.07Å |
| 395 | L | 82.7 | Confident | 82.9 | Confident | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 175.2 | -77 | 171.9 | 0 | 0 | 0 | 111.9 | V391 L392 A399 I472 L473 | V391-L395 HydrophobicContact CG1-CD1 4.25Å; V391-L395 WeakPolarHBondContact O-CB 3.39Å; V391-L395 VanDerWaalsContact O-CG 3.3Å; V391-L395 WeakPolarHBondContact O-CG 3.36Å; V391-L395 PolarHBondContact O-N 2.9Å; L392-L395 PolarHBondContact O-N 3.46Å; L395-A399 WeakPolarHBondContact O-CB 3.47Å; L395-A399 PolarHBondContact O-N 3.04Å; L395-A399 VanDerWaalsContact O-N 3.07Å; L395-I472 HydrophobicContact CD2-CB 4.21Å; L395-I472 HydrophobicContact CD2-CG2 3.61Å; L395-L473 HydrophobicContact CD1-CD1 4.42Å; L395-L473 HydrophobicContact CD2-CB 4.26Å; L395-L473 HydrophobicContact CD2-CD1 4.5Å |
| 396 | L | 80.6 | Confident | 82.6 | Confident | 74 Ų | 74 | 53.4 Ų | 53.4 | 39% | 0.387 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70 | -39.7 | 177.1 | -70.9 | 172.8 | 0 | 0 | 0 | 112.1 | L392 V393 C394 A399 L400 | L392-L396 HydrophobicContact CG-CD1 4.23Å; L392-L396 WeakPolarHBondContact O-CB 3.43Å; L392-L396 VanDerWaalsContact O-CG 3.31Å; L392-L396 WeakPolarHBondContact O-CG 3.43Å; L392-L396 PolarHBondContact O-N 3.22Å; V393-L396 PolarHBondContact O-N 2.93Å; C394-L396 VanDerWaalsContact C-N 3.33Å; C394-L396 PolarHBondContact O-N 3.01Å; L396-A399 WeakPolarHBondContact O-CB 3.46Å; L396-A399 PolarHBondContact O-N 3.14Å; L396-L400 WeakPolarHBondContact O-CG 3.39Å; L396-L400 PolarHBondContact O-N 3.07Å |
| 397 | S | 82.2 | Confident | 82.3 | Confident | 52 Ų | 52 | 55.7 Ų | 55.7 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.7 | -43.6 | 177.4 | 68.5 | 0 | 0 | 0 | 0 | 111.4 | V393 C394 A399 L400 L401 | V393-S397 WeakPolarHBondContact O-CB 3.32Å; V393-S397 PolarHBondContact O-N 3.28Å; V393-S397 PolarHBondContact O-OG 2.72Å; C394-S397 WeakPolarHBondContact CA-OG 3.13Å; C394-S397 PolarHBondContact O-N 3.43Å; C394-S397 PolarHBondContact O-OG 3.37Å; S397-A399 PolarHBondContact O-N 3.03Å; S397-L400 PolarHBondContact O-N 3.2Å; S397-L400 VanDerWaalsContact O-N 3.13Å; S397-L401 WeakPolarHBondContact O-CG 3.34Å; S397-L401 PolarHBondContact O-N 3.21Å |
| 398 | M | 84 | Confident | 82.2 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 11% | 0.113 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.3 | -37.1 | 174.3 | -166.5 | -176.6 | -172.6 | 0 | 0 | 111.5 | C394 L401 V402 V465 L468 Q469 I472 | C394-M398 VanDerWaalsContact O-CB 3.26Å; C394-M398 WeakPolarHBondContact O-CB 3.23Å; C394-M398 PolarHBondContact O-N 3.07Å; M398-L401 PolarHBondContact O-N 3.36Å; M398-V402 WeakPolarHBondContact O-CG2 3.37Å; M398-V402 PolarHBondContact O-N 2.8Å; M398-V465 HydrophobicContact CE-CG1 3.98Å; M398-V465 WeakPolarHBondContact CE-O 3.43Å; M398-L468 HydrophobicContact CE-CB 3.91Å; M398-L468 HydrophobicContact CE-CD2 3.88Å; M398-L468 HydrophobicContact CE-CG 3.79Å; M398-Q469 HydrophobicContact CB-CG 4.38Å; M398-Q469 VanDerWaalsContact CE-CA 3.5Å; M398-Q469 HydrophobicContact CE-CB 3.65Å; M398-Q469 HydrophobicContact CE-CG 4.4Å; M398-Q469 VanDerWaalsContact CE-N 3.29Å; M398-Q469 HydrophobicContact CG-CB 4.1Å; M398-Q469 HydrophobicContact CG-CG 3.9Å; M398-Q469 VanDerWaalsContact SD-CA 3.57Å; M398-Q469 HydrophobicContact SD-CB 3.69Å; M398-Q469 HydrophobicContact SD-CG 3.79Å; M398-I472 HydrophobicContact CE-CD1 4.32Å; M398-I472 HydrophobicContact SD-CD1 3.98Å |
| 399 | A | 79.6 | Confident | 82.1 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L395 L396 S397 Q403 R530 | L395-A399 WeakPolarHBondContact O-CB 3.47Å; L395-A399 PolarHBondContact O-N 3.04Å; L395-A399 VanDerWaalsContact O-N 3.07Å; L396-A399 WeakPolarHBondContact O-CB 3.46Å; L396-A399 PolarHBondContact O-N 3.14Å; S397-A399 PolarHBondContact O-N 3.03Å; A399-Q403 WeakPolarHBondContact O-CB 3.47Å; A399-Q403 PolarHBondContact O-N 3.07Å; A399-Q403 VanDerWaalsContact O-N 3.12Å; A399-R530 HydrophobicContact CB-CG 4.17Å |
| 400 | L | 78.1 | Confident | 81.7 | Confident | 89 Ų | 89 | 49.7 Ų | 49.7 | 47% | 0.466 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 175.9 | -72.2 | 172.1 | 0 | 0 | 0 | 111.3 | L396 S397 Q403 G404 K533 | L396-L400 WeakPolarHBondContact O-CG 3.39Å; L396-L400 PolarHBondContact O-N 3.07Å; S397-L400 PolarHBondContact O-N 3.2Å; S397-L400 VanDerWaalsContact O-N 3.13Å; L400-Q403 PolarHBondContact O-N 3.24Å; L400-G404 PolarHBondContact O-N 3.17Å; L400-K533 HydrophobicContact CD2-CD 3.68Å |
| 401 | L | 82.8 | Confident | 81.4 | Confident | 122 Ų | 122 | 50.6 Ų | 50.6 | 64% | 0.639 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.6 | -47.8 | 177.7 | -72.1 | 171.4 | 0 | 0 | 0 | 112 | S397 M398 Q403 G404 F405 | S397-L401 WeakPolarHBondContact O-CG 3.34Å; S397-L401 PolarHBondContact O-N 3.21Å; M398-L401 PolarHBondContact O-N 3.36Å; L401-Q403 VanDerWaalsContact C-N 3.3Å; L401-Q403 PolarHBondContact O-N 3.04Å; L401-G404 PolarHBondContact O-N 3.06Å; L401-F405 WeakPolarHBondContact O-CB 3.3Å; L401-F405 PolarHBondContact O-N 2.9Å |
| 402 | V | 82.6 | Confident | 81.2 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.03 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.2 | -42 | 176.5 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | M398 Y406 L462 V465 Q469 | M398-V402 WeakPolarHBondContact O-CG2 3.37Å; M398-V402 PolarHBondContact O-N 2.8Å; V402-Y406 VanDerWaalsContact O-CB 3.31Å; V402-Y406 WeakPolarHBondContact O-CB 3.38Å; V402-Y406 PolarHBondContact O-N 3.38Å; V402-L462 HydrophobicContact CG1-CD1 4.07Å; V402-V465 HydrophobicContact CG2-CB 4.14Å; V402-V465 HydrophobicContact CG2-CG1 3.39Å; V402-Q469 HydrophobicContact CG2-CB 4.37Å |
| 403 | Q | 79.2 | Confident | 80.9 | Confident | 29 Ų | 29 | 47.6 Ų | 47.6 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.1 | -42.2 | 178.7 | -175.8 | 56.2 | 49.2 | 0 | 0 | 112.2 | A399 L400 L401 F405 Y406 T407 R534 | A399-Q403 WeakPolarHBondContact O-CB 3.47Å; A399-Q403 PolarHBondContact O-N 3.07Å; A399-Q403 VanDerWaalsContact O-N 3.12Å; L400-Q403 PolarHBondContact O-N 3.24Å; L401-Q403 VanDerWaalsContact C-N 3.3Å; L401-Q403 PolarHBondContact O-N 3.04Å; Q403-F405 VanDerWaalsContact C-N 3.35Å; Q403-Y406 WeakPolarHBondContact O-CB 3.33Å; Q403-Y406 PolarHBondContact O-N 3.35Å; Q403-T407 PolarHBondContact NE2-OG1 3.42Å; Q403-T407 PolarHBondContact O-N 3.09Å; Q403-T407 PolarHBondContact O-OG1 3.47Å; Q403-T407 VanDerWaalsContact O-OG1 3.1Å; Q403-R534 VanDerWaalsContact NE2-NH2 3.1Å |
| 404 | G | 77 | Confident | 80.3 | Confident | 42 Ų | 42 | 43.1 Ų | 43.1 | 43% | 0.433 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.3 | -45 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L400 L401 Y406 T407 F408 | L400-G404 PolarHBondContact O-N 3.17Å; L401-G404 PolarHBondContact O-N 3.06Å; G404-Y406 PolarHBondContact O-N 2.83Å; G404-T407 PolarHBondContact O-N 3.2Å; G404-F408 WeakPolarHBondContact O-CB 3.38Å; G404-F408 PolarHBondContact O-N 2.92Å |
| 405 | F | 83.6 | Confident | 79.5 | Confident | 58 Ų | 58 | 40.6 Ų | 40.6 | 25% | 0.254 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.5 | -37.9 | 178 | -162.2 | -120 | 0 | 0 | 0 | 112.6 | L401 Q403 F408 C409 M458 T461 L462 | L401-F405 WeakPolarHBondContact O-CB 3.3Å; L401-F405 PolarHBondContact O-N 2.9Å; Q403-F405 VanDerWaalsContact C-N 3.35Å; F405-F408 PolarHBondContact O-N 2.75Å; F405-C409 PolarHBondContact O-N 2.99Å; F405-C409 PolarHBondContact O-SG 3.42Å; F405-M458 HydrophobicContact CE1-CB 4.47Å; F405-M458 WeakPolarHBondContact CE1-O 3.4Å; F405-M458 HydrophobicContact CZ-CB 3.99Å; F405-M458 HydrophobicContact CZ-CG 4.16Å; F405-T461 HydrophobicContact CE1-CG2 3.85Å; F405-T461 HydrophobicContact CZ-CG2 3.99Å; F405-L462 HydrophobicContact CB-CD1 4.34Å; F405-L462 HydrophobicContact CD1-CB 3.69Å; F405-L462 HydrophobicContact CD1-CD1 3.8Å; F405-L462 HydrophobicContact CD1-CG 4.28Å; F405-L462 HydrophobicContact CE1-CB 3.82Å |
| 406 | Y | 81.1 | Confident | 78.8 | Confident | 22 Ų | 22 | 41.3 Ų | 41.3 | 9% | 0.086 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.4 | -50.2 | 171.4 | 178.7 | -75.1 | 0 | 0 | 0 | 111.6 | Y65 R69 V402 Q403 G404 F408 C409 D410 L462 | Y65-Y406 AromaticContact CD1-CD2 3.88Å; Y65-Y406 HydrophobicContact CD1-CD2 3.88Å; Y65-Y406 AromaticContact CD1-CE2 3.97Å; Y65-Y406 HydrophobicContact CD1-CE2 3.97Å; Y65-Y406 WeakPolarHBondContact O-CE2 3.28Å; R69-Y406 VanDerWaalsContact CZ-CE2 3.45Å; R69-Y406 VanDerWaalsContact NH2-CD2 3.27Å; R69-Y406 VanDerWaalsContact NH2-CG 3.26Å; R69-Y406 PolarHBondContact NH2-O 2.81Å; V402-Y406 VanDerWaalsContact O-CB 3.31Å; V402-Y406 WeakPolarHBondContact O-CB 3.38Å; V402-Y406 PolarHBondContact O-N 3.38Å; Q403-Y406 WeakPolarHBondContact O-CB 3.33Å; Q403-Y406 PolarHBondContact O-N 3.35Å; G404-Y406 PolarHBondContact O-N 2.83Å; Y406-F408 VanDerWaalsContact C-N 3.31Å; Y406-F408 PolarHBondContact O-N 3.45Å; Y406-C409 WeakPolarHBondContact O-CB 3.39Å; Y406-C409 PolarHBondContact O-N 3.18Å; Y406-D410 VanDerWaalsContact CE1-OD2 3.27Å; Y406-D410 WeakPolarHBondContact CE1-OD2 3.49Å; Y406-D410 PolarHBondContact O-N 3.47Å; Y406-L462 HydrophobicContact CD2-CD2 4.14Å |
| 407 | T | 78.3 | Confident | 78.1 | Confident | 55 Ų | 55 | 38.5 Ų | 38.5 | 34% | 0.337 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.5 | -38 | -179.9 | -56 | 0 | 0 | 0 | 0 | 111.1 | Q403 G404 C409 D410 W411 | Q403-T407 PolarHBondContact NE2-OG1 3.42Å; Q403-T407 PolarHBondContact O-N 3.09Å; Q403-T407 PolarHBondContact O-OG1 3.47Å; Q403-T407 VanDerWaalsContact O-OG1 3.1Å; G404-T407 PolarHBondContact O-N 3.2Å; T407-C409 VanDerWaalsContact C-N 3.3Å; T407-C409 PolarHBondContact O-N 3.19Å; T407-D410 PolarHBondContact O-N 3.48Å; T407-D410 VanDerWaalsContact O-N 3.12Å; T407-W411 PolarHBondContact O-N 3.39Å |
| 408 | F | 82.5 | Confident | 77.3 | Confident | 84 Ų | 84 | 36.9 Ų | 36.9 | 37% | 0.368 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.4 | -36.4 | 176.3 | -175.1 | -110.7 | 0 | 0 | 0 | 112.2 | G404 F405 Y406 D410 W411 W412 M458 | G404-F408 WeakPolarHBondContact O-CB 3.38Å; G404-F408 PolarHBondContact O-N 2.92Å; F405-F408 PolarHBondContact O-N 2.75Å; Y406-F408 VanDerWaalsContact C-N 3.31Å; Y406-F408 PolarHBondContact O-N 3.45Å; F408-D410 VanDerWaalsContact C-N 3.31Å; F408-D410 PolarHBondContact O-N 3.07Å; F408-W411 AromaticContact CD2-CE3 3.91Å; F408-W411 HydrophobicContact CD2-CE3 3.91Å; F408-W411 HydrophobicContact CD2-CZ3 4.3Å; F408-W411 AromaticContact CE2-CE3 3.68Å; F408-W411 HydrophobicContact CE2-CE3 3.68Å; F408-W411 AromaticContact CE2-CZ3 3.63Å; F408-W411 HydrophobicContact CE2-CZ3 3.63Å; F408-W411 HydrophobicContact CZ-CZ3 4.38Å; F408-W411 PolarHBondContact O-N 3.26Å; F408-W412 HydrophobicContact CE1-CE3 4.12Å; F408-W412 AromaticContact CZ-CE3 3.77Å; F408-W412 HydrophobicContact CZ-CE3 3.77Å; F408-W412 HydrophobicContact CZ-CZ3 4.13Å; F408-W412 WeakPolarHBondContact O-CB 3.47Å; F408-W412 PolarHBondContact O-N 2.91Å; F408-M458 HydrophobicContact CD1-CE 3.28Å; F408-M458 HydrophobicContact CE1-CE 3.46Å; F408-M458 VanDerWaalsContact CE1-CE 3.46Å; F408-M458 HydrophobicContact CE1-SD 4.24Å; F408-M458 HydrophobicContact CG-CE 4.33Å |
| 409 | C | 82.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -35.9 | 172.9 | -65.6 | 0 | 0 | 0 | 0 | 113.2 | F405 Y406 T407 L413 W455 M458 | F405-C409 PolarHBondContact O-N 2.99Å; F405-C409 PolarHBondContact O-SG 3.42Å; Y406-C409 WeakPolarHBondContact O-CB 3.39Å; Y406-C409 PolarHBondContact O-N 3.18Å; T407-C409 VanDerWaalsContact C-N 3.3Å; T407-C409 PolarHBondContact O-N 3.19Å; C409-L413 PolarHBondContact O-N 3.1Å; C409-W455 PolarHBondContact O-NE1 3.03Å; C409-M458 HydrophobicContact CB-CE 4.35Å |
| 410 | D | 75.7 | Confident | 75.5 | Confident | 22 Ų | 22 | 41 Ų | 41 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -77.2 | -39.2 | 179 | -63.3 | -19.1 | 0 | 0 | 0 | 111.2 | R69 Y406 T407 F408 L413 S414 L584 Y588 | R69-D410 IonicContact CZ-OD1 3.97Å; R69-D410 IonicContact NE-OD1 3.17Å; R69-D410 PolarHBondContact NE-OD1 3.32Å; R69-D410 VanDerWaalsContact NE-OD1 3.13Å; R69-D410 IonicContact NH2-OD1 3.34Å; R69-D410 PolarHBondContact NH2-OD1 3.4Å; R69-D410 IonicContact NH2-OD2 3.07Å; R69-D410 PolarHBondContact NH2-OD2 3.49Å; Y406-D410 VanDerWaalsContact CE1-OD2 3.27Å; Y406-D410 WeakPolarHBondContact CE1-OD2 3.49Å; Y406-D410 PolarHBondContact O-N 3.47Å; T407-D410 PolarHBondContact O-N 3.48Å; T407-D410 VanDerWaalsContact O-N 3.12Å; F408-D410 VanDerWaalsContact C-N 3.31Å; F408-D410 PolarHBondContact O-N 3.07Å; D410-L413 PolarHBondContact O-N 3.46Å; D410-S414 PolarHBondContact O-N 3.09Å; D410-S414 VanDerWaalsContact O-N 3.14Å; D410-L584 HydrophobicContact CB-CD1 3.77Å; D410-Y588 VanDerWaalsContact CB-OH 3.27Å; D410-Y588 WeakPolarHBondContact CB-OH 3.12Å; D410-Y588 PolarHBondContact OD2-OH 2.74Å |
| 411 | W | 78.1 | Confident | 74.8 | Confident | 99 Ų | 99 | 39.4 Ų | 39.4 | 38% | 0.375 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 174.7 | 178.4 | 82.2 | 0 | 0 | 0 | 112.3 | T407 F408 L413 S414 N415 F443 | T407-W411 PolarHBondContact O-N 3.39Å; F408-W411 AromaticContact CD2-CE3 3.91Å; F408-W411 HydrophobicContact CD2-CE3 3.91Å; F408-W411 HydrophobicContact CD2-CZ3 4.3Å; F408-W411 AromaticContact CE2-CE3 3.68Å; F408-W411 HydrophobicContact CE2-CE3 3.68Å; F408-W411 AromaticContact CE2-CZ3 3.63Å; F408-W411 HydrophobicContact CE2-CZ3 3.63Å; F408-W411 HydrophobicContact CZ-CZ3 4.38Å; F408-W411 PolarHBondContact O-N 3.26Å; W411-L413 VanDerWaalsContact C-N 3.33Å; W411-L413 PolarHBondContact O-N 3.15Å; W411-S414 WeakPolarHBondContact O-CB 3.45Å; W411-S414 PolarHBondContact O-N 2.82Å; W411-N415 WeakPolarHBondContact CH2-ND2 3.3Å; W411-N415 WeakPolarHBondContact CZ2-ND2 3.29Å; W411-N415 PolarHBondContact O-N 3.03Å; W411-F443 HydrophobicContact CH2-CZ 4.06Å; W411-F443 AromaticContact CZ3-CZ 3.96Å; W411-F443 HydrophobicContact CZ3-CZ 3.96Å |
| 412 | W | 82.4 | Confident | 73.8 | Confident | 13 Ų | 13 | 36.2 Ų | 36.2 | 5% | 0.049 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.9 | -47 | 175.9 | -171.4 | -82.2 | 0 | 0 | 0 | 111.6 | F408 S414 N415 E416 F442 F443 H451 I454 M458 | F408-W412 HydrophobicContact CE1-CE3 4.12Å; F408-W412 AromaticContact CZ-CE3 3.77Å; F408-W412 HydrophobicContact CZ-CE3 3.77Å; F408-W412 HydrophobicContact CZ-CZ3 4.13Å; F408-W412 WeakPolarHBondContact O-CB 3.47Å; F408-W412 PolarHBondContact O-N 2.91Å; W412-S414 PolarHBondContact O-N 2.84Å; W412-N415 PolarHBondContact O-N 2.96Å; W412-E416 PolarHBondContact O-N 2.99Å; W412-E416 VanDerWaalsContact O-N 3.14Å; W412-F442 HydrophobicContact CH2-CE1 4.34Å; W412-F443 HydrophobicContact CD2-CE1 4.09Å; W412-F443 AromaticContact CE3-CE1 3.61Å; W412-F443 HydrophobicContact CE3-CE1 3.61Å; W412-F443 HydrophobicContact CE3-CZ 4.16Å; W412-F443 AromaticContact CH2-CD1 3.87Å; W412-F443 HydrophobicContact CH2-CD1 3.87Å; W412-F443 AromaticContact CH2-CE1 3.32Å; W412-F443 HydrophobicContact CH2-CE1 3.32Å; W412-F443 HydrophobicContact CH2-CZ 4.12Å; W412-F443 HydrophobicContact CZ2-CD1 4.09Å; W412-F443 AromaticContact CZ2-CE1 3.82Å; W412-F443 HydrophobicContact CZ2-CE1 3.82Å; W412-F443 HydrophobicContact CZ3-CD1 4.21Å; W412-F443 AromaticContact CZ3-CE1 3.21Å; W412-F443 HydrophobicContact CZ3-CE1 3.21Å; W412-F443 AromaticContact CZ3-CZ 3.68Å; W412-F443 HydrophobicContact CZ3-CZ 3.68Å; W412-H451 AromaticContact CZ2-ND1 3.86Å; W412-H451 AromaticContact NE1-ND1 3.82Å; W412-I454 HydrophobicContact CH2-CG2 4.3Å; W412-I454 HydrophobicContact CZ2-CD1 4.3Å; W412-I454 HydrophobicContact CZ2-CG2 3.86Å; W412-M458 HydrophobicContact CB-CE 4.31Å; W412-M458 HydrophobicContact CD2-SD 4.29Å; W412-M458 HydrophobicContact CG-SD 4.36Å |
| 413 | L | 75.6 | Confident | 72.7 | Confident | 22 Ų | 22 | 40.3 Ų | 40.3 | 12% | 0.115 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -40.1 | 178.6 | -172 | 68.3 | 0 | 0 | 0 | 112.2 | L72 V91 C409 D410 W411 W455 | L72-L413 HydrophobicContact CD2-CD2 4.07Å; V91-L413 HydrophobicContact CG1-CD1 3.95Å; V91-L413 HydrophobicContact CG1-CD2 3.77Å; V91-L413 HydrophobicContact CG1-CG 3.95Å; C409-L413 PolarHBondContact O-N 3.1Å; D410-L413 PolarHBondContact O-N 3.46Å; W411-L413 VanDerWaalsContact C-N 3.33Å; W411-L413 PolarHBondContact O-N 3.15Å; L413-W455 HydrophobicContact CD2-CZ2 4.41Å |
| 414 | S | 71.9 | Confident | 71.9 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.4 | -46 | 177.3 | 178.5 | 0 | 0 | 0 | 0 | 112.6 | D410 W411 W412 E417 D418 G580 T581 | D410-S414 PolarHBondContact O-N 3.09Å; D410-S414 VanDerWaalsContact O-N 3.14Å; W411-S414 WeakPolarHBondContact O-CB 3.45Å; W411-S414 PolarHBondContact O-N 2.82Å; W412-S414 PolarHBondContact O-N 2.84Å; S414-E417 WeakPolarHBondContact O-CB 3.45Å; S414-E417 PolarHBondContact O-N 3.11Å; S414-D418 PolarHBondContact O-N 3.39Å; S414-G580 WeakPolarHBondContact OG-CA 3.42Å; S414-G580 PolarHBondContact OG-O 2.92Å; S414-G580 VanDerWaalsContact OG-O 3.12Å; S414-T581 PolarHBondContact OG-N 3.4Å; S414-T581 VanDerWaalsContact OG-N 3.08Å |
| 415 | N | 70.5 | Confident | 70.9 | Confident | 22 Ų | 22 | 47.6 Ų | 47.6 | 12% | 0.118 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.1 | -38 | -177.2 | -82 | -1.6 | 0 | 0 | 0 | 113.1 | W411 W412 E417 D418 I419 | W411-N415 WeakPolarHBondContact CH2-ND2 3.3Å; W411-N415 WeakPolarHBondContact CZ2-ND2 3.29Å; W411-N415 PolarHBondContact O-N 3.03Å; W412-N415 PolarHBondContact O-N 2.96Å; N415-E417 PolarHBondContact O-N 3.34Å; N415-D418 PolarHBondContact O-N 3.05Å; N415-I419 VanDerWaalsContact O-CG1 3.28Å; N415-I419 WeakPolarHBondContact O-CG1 3.33Å; N415-I419 PolarHBondContact O-N 3.27Å |
| 416 | E | 68 | Low | 69.7 | Low | 24 Ų | 24 | 50.2 Ų | 50.2 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.1 | -38.3 | 176 | -171 | -171.8 | 161.8 | 0 | 0 | 110.6 | W412 R420 H451 | W412-E416 PolarHBondContact O-N 2.99Å; W412-E416 VanDerWaalsContact O-N 3.14Å; E416-R420 WeakPolarHBondContact O-CG 3.41Å; E416-R420 PolarHBondContact O-N 2.8Å; E416-R420 IonicContact OE1-CZ 2.75Å; E416-R420 IonicContact OE1-NE 3.86Å; E416-R420 PolarHBondContact OE1-NE 2.94Å; E416-R420 VanDerWaalsContact OE1-NE 3.14Å; E416-R420 IonicContact OE1-NH2 3.38Å; E416-R420 PolarHBondContact OE1-NH2 3.07Å; E416-H451 HydrophobicContact CG-CB 4.4Å; E416-H451 WeakPolarHBondContact OE1-CB 3.27Å; E416-H451 IonicContact OE1-CG 3.9Å |
| 417 | E | 64.3 | Low | 68.5 | Low | 15 Ų | 15 | 53.8 Ų | 53.8 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71 | -44.5 | 178.7 | -165.3 | -174.2 | 121.4 | 0 | 0 | 113.3 | S88 F92 S414 N415 I419 R420 K421 | S88-E417 VanDerWaalsContact CA-CD 3.5Å; S88-E417 VanDerWaalsContact CA-OE2 3.3Å; S88-E417 WeakPolarHBondContact CA-OE2 3.5Å; S88-E417 WeakPolarHBondContact CB-OE1 3.41Å; S88-E417 WeakPolarHBondContact CB-OE2 3.21Å; F92-E417 VanDerWaalsContact CD2-OE2 3.27Å; F92-E417 WeakPolarHBondContact CD2-OE2 3.4Å; F92-E417 VanDerWaalsContact CE2-CD 3.44Å; F92-E417 WeakPolarHBondContact CE2-OE1 3.47Å; F92-E417 WeakPolarHBondContact CE2-OE2 3.45Å; S414-E417 WeakPolarHBondContact O-CB 3.45Å; S414-E417 PolarHBondContact O-N 3.11Å; N415-E417 PolarHBondContact O-N 3.34Å; E417-I419 PolarHBondContact O-N 2.97Å; E417-R420 PolarHBondContact O-N 3.43Å; E417-R420 VanDerWaalsContact O-N 3.11Å; E417-K421 PolarHBondContact O-N 3.46Å; E417-K421 IonicContact OE1-NZ 3.87Å; E417-K421 PolarHBondContact OE1-NZ 3.11Å |
| 418 | D | 65.3 | Low | 67.4 | Low | 19 Ų | 19 | 57.7 Ų | 57.7 | 10% | 0.102 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.5 | -36.5 | 177 | -73.3 | -34 | 0 | 0 | 0 | 110.8 | S414 N415 L422 S579 G580 T581 | S414-D418 PolarHBondContact O-N 3.39Å; N415-D418 PolarHBondContact O-N 3.05Å; D418-L422 WeakPolarHBondContact O-CB 3.4Å; D418-L422 WeakPolarHBondContact O-CD1 3.42Å; D418-L422 VanDerWaalsContact O-CG 3.24Å; D418-L422 WeakPolarHBondContact O-CG 2.95Å; D418-L422 PolarHBondContact O-N 3.47Å; D418-L422 VanDerWaalsContact O-N 3.08Å; D418-S579 PolarHBondContact OD1-N 3.3Å; D418-G580 WeakPolarHBondContact OD1-CA 3.47Å; D418-G580 PolarHBondContact OD1-N 2.99Å; D418-T581 PolarHBondContact OD2-N 3.07Å |
| 419 | I | 64 | Low | 65.9 | Low | 23 Ų | 23 | 58.1 Ų | 58.1 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.8 | -48 | 172.1 | -63.9 | 167.1 | 0 | 0 | 0 | 111.2 | N415 E417 K421 L422 V423 L440 F443 T444 | N415-I419 VanDerWaalsContact O-CG1 3.28Å; N415-I419 WeakPolarHBondContact O-CG1 3.33Å; N415-I419 PolarHBondContact O-N 3.27Å; E417-I419 PolarHBondContact O-N 2.97Å; I419-K421 VanDerWaalsContact C-N 3.35Å; I419-K421 PolarHBondContact O-N 2.98Å; I419-L422 PolarHBondContact O-N 3.39Å; I419-V423 WeakPolarHBondContact O-CG2 3.48Å; I419-V423 PolarHBondContact O-N 3.3Å; I419-L440 HydrophobicContact CD1-CD2 3.53Å; I419-L440 HydrophobicContact CG1-CD2 3.71Å; I419-F443 HydrophobicContact CD1-CB 3.51Å; I419-F443 HydrophobicContact CD1-CG 4.19Å; I419-T444 HydrophobicContact CG2-CG2 4.15Å |
| 420 | R | 63.4 | Low | 64.6 | Low | 94 Ų | 94 | 63.1 Ų | 63.1 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 179.6 | -77 | 175.3 | -174 | -118.8 | 10 | 111.6 | E416 E417 V423 T424 | E416-R420 WeakPolarHBondContact O-CG 3.41Å; E416-R420 PolarHBondContact O-N 2.8Å; E416-R420 IonicContact OE1-CZ 2.75Å; E416-R420 IonicContact OE1-NE 3.86Å; E416-R420 PolarHBondContact OE1-NE 2.94Å; E416-R420 VanDerWaalsContact OE1-NE 3.14Å; E416-R420 IonicContact OE1-NH2 3.38Å; E416-R420 PolarHBondContact OE1-NH2 3.07Å; E417-R420 PolarHBondContact O-N 3.43Å; E417-R420 VanDerWaalsContact O-N 3.11Å; R420-V423 PolarHBondContact O-N 3.14Å; R420-T424 WeakPolarHBondContact O-CG2 3.38Å; R420-T424 PolarHBondContact O-N 3.15Å; R420-T424 PolarHBondContact O-OG1 3.05Å |
| 421 | K | 62.7 | Low | 63.8 | Low | 57 Ų | 57 | 67.1 Ų | 67.1 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 177.4 | -82 | 175 | 172.5 | 158.2 | 0 | 112 | S88 E417 I419 V423 T424 M425 S579 | S88-K421 WeakPolarHBondContact OG-CE 3.47Å; S88-K421 PolarHBondContact OG-NZ 3.04Å; S88-K421 VanDerWaalsContact OG-NZ 3.09Å; E417-K421 PolarHBondContact O-N 3.46Å; E417-K421 IonicContact OE1-NZ 3.87Å; E417-K421 PolarHBondContact OE1-NZ 3.11Å; I419-K421 VanDerWaalsContact C-N 3.35Å; I419-K421 PolarHBondContact O-N 2.98Å; K421-V423 VanDerWaalsContact C-N 3.31Å; K421-V423 PolarHBondContact O-N 2.81Å; K421-T424 WeakPolarHBondContact CA-OG1 3.13Å; K421-T424 PolarHBondContact O-N 3.39Å; K421-T424 PolarHBondContact O-OG1 3.03Å; K421-M425 VanDerWaalsContact O-CB 3.22Å; K421-M425 WeakPolarHBondContact O-CB 3.33Å; K421-M425 PolarHBondContact O-N 3.22Å; K421-S579 WeakPolarHBondContact CD-OG 3.42Å; K421-S579 WeakPolarHBondContact CE-OG 3.43Å; K421-S579 PolarHBondContact NZ-OG 3.24Å |
| 422 | L | 60.7 | Low | 62.7 | Low | 54 Ų | 54 | 67.7 Ų | 67.7 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.3 | -41.9 | 176.1 | -76.9 | 165.7 | 0 | 0 | 0 | 112.2 | D418 I419 Y426 | D418-L422 WeakPolarHBondContact O-CB 3.4Å; D418-L422 WeakPolarHBondContact O-CD1 3.42Å; D418-L422 VanDerWaalsContact O-CG 3.24Å; D418-L422 WeakPolarHBondContact O-CG 2.95Å; D418-L422 PolarHBondContact O-N 3.47Å; D418-L422 VanDerWaalsContact O-N 3.08Å; I419-L422 PolarHBondContact O-N 3.39Å; L422-Y426 PolarHBondContact O-N 2.95Å |
| 423 | V | 61.2 | Low | 61.2 | Low | 91 Ų | 91 | 69 Ų | 69 | 55% | 0.552 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.8 | -39.4 | 177.6 | 174.2 | 0 | 0 | 0 | 0 | 111.9 | I419 R420 K421 | I419-V423 WeakPolarHBondContact O-CG2 3.48Å; I419-V423 PolarHBondContact O-N 3.3Å; R420-V423 PolarHBondContact O-N 3.14Å; K421-V423 VanDerWaalsContact C-N 3.31Å; K421-V423 PolarHBondContact O-N 2.81Å |
| 424 | T | 60.8 | Low | 60.2 | Low | 109 Ų | 109 | 73.4 Ų | 73.4 | 67% | 0.669 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -75.8 | -31.3 | 179.8 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | R420 K421 | R420-T424 WeakPolarHBondContact O-CG2 3.38Å; R420-T424 PolarHBondContact O-N 3.15Å; R420-T424 PolarHBondContact O-OG1 3.05Å; K421-T424 WeakPolarHBondContact CA-OG1 3.13Å; K421-T424 PolarHBondContact O-N 3.39Å; K421-T424 PolarHBondContact O-OG1 3.03Å |
| 425 | M | 56.8 | Low | 59.4 | Low | 115 Ų | 115 | 79.5 Ų | 79.5 | 57% | 0.567 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -85.5 | -21.5 | -172.8 | -163.5 | 177.8 | -88.2 | 0 | 0 | 112.4 | K421 | K421-M425 VanDerWaalsContact O-CB 3.22Å; K421-M425 WeakPolarHBondContact O-CB 3.33Å; K421-M425 PolarHBondContact O-N 3.22Å |
| 426 | Y | 58.6 | Low | 58.5 | Low | 114 Ų | 114 | 83.6 Ų | 83.6 | 45% | 0.447 | 43% | 0.429 | S | S | . | . | trans | -130.5 | 67.6 | 179.7 | -62.3 | -74.5 | 0 | 0 | 0 | 111.5 | L422 D428 N429 | L422-Y426 PolarHBondContact O-N 2.95Å; Y426-D428 PolarHBondContact O-N 3.4Å; Y426-N429 HydrophobicContact CD1-CB 4.26Å | ||
| 427 | P | 55.8 | Low | 57.8 | Low | 97 Ų | 97 | 87.9 Ų | 87.9 | 63% | 0.63 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -62.2 | -30.5 | 179.4 | 23.8 | -31.2 | 0 | 0 | 0 | 112.5 | ||
| 428 | D | 54.3 | Low | 57.2 | Low | 136 Ų | 136 | 95.3 Ų | 95.3 | 73% | 0.727 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -117.9 | 0.2 | -169.3 | -60 | -43.7 | 0 | 0 | 0 | 115.5 | Y426 I430 | Y426-D428 PolarHBondContact O-N 3.4Å; D428-I430 PolarHBondContact O-N 3.43Å |
| 429 | N | 51.1 | Low | 56.6 | Low | 93 Ų | 93 | 103.4 Ų | 103.4 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | trans | -96.4 | 74 | 178.6 | -80.9 | -16.7 | 0 | 0 | 0 | 111.8 | Y426 T431 A433 | Y426-N429 HydrophobicContact CD1-CB 4.26Å; N429-T431 VanDerWaalsContact C-N 3.3Å; N429-T431 PolarHBondContact O-N 2.98Å; N429-A433 WeakPolarHBondContact O-CB 3.3Å; N429-A433 PolarHBondContact O-N 2.83Å | ||
| 430 | I | 56.2 | Low | 56.2 | Low | 105 Ų | 105 | 104.8 Ų | 104.8 | 54% | 0.538 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.8 | -33.8 | -170.5 | -63.9 | 167.8 | 0 | 0 | 0 | 113.1 | D428 E434 | D428-I430 PolarHBondContact O-N 3.43Å; I430-E434 VanDerWaalsContact CG2-CD 3.42Å; I430-E434 HydrophobicContact CG2-CG 4.04Å; I430-E434 WeakPolarHBondContact CG2-OE1 3.3Å; I430-E434 WeakPolarHBondContact O-CB 3.34Å; I430-E434 WeakPolarHBondContact O-CG 3.35Å; I430-E434 PolarHBondContact O-N 3.01Å |
| 431 | T | 57.3 | Low | 55.4 | Low | 106 Ų | 106 | 104.2 Ų | 104.2 | 65% | 0.65 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -77 | -42.2 | -170.2 | 46.8 | 0 | 0 | 0 | 0 | 114.9 | N429 E435 | N429-T431 VanDerWaalsContact C-N 3.3Å; N429-T431 PolarHBondContact O-N 2.98Å; T431-E435 PolarHBondContact O-N 2.98Å |
| 432 | I | 55.6 | Low | 55 | Low | 111 Ų | 111 | 108.1 Ų | 108.1 | 57% | 0.569 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -77.7 | -35.8 | 177.8 | -56.9 | 176.9 | 0 | 0 | 0 | 110.1 | R436 | I432-R436 PolarHBondContact O-N 3.2Å; I432-R436 VanDerWaalsContact O-N 3.17Å |
| 433 | A | 51.6 | Low | 54.6 | Low | 42 Ų | 42 | 106.9 Ų | 106.9 | 35% | 0.347 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | N429 K437 | N429-A433 WeakPolarHBondContact O-CB 3.3Å; N429-A433 PolarHBondContact O-N 2.83Å; A433-K437 WeakPolarHBondContact O-CB 3.49Å; A433-K437 PolarHBondContact O-N 3.35Å |
| 434 | E | 54 | Low | 54.1 | Low | 114 Ų | 114 | 104.8 Ų | 104.8 | 53% | 0.533 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.1 | -38.9 | 177.9 | -82.3 | 179.6 | 161.9 | 0 | 0 | 113.8 | I430 K437 K438 | I430-E434 VanDerWaalsContact CG2-CD 3.42Å; I430-E434 HydrophobicContact CG2-CG 4.04Å; I430-E434 WeakPolarHBondContact CG2-OE1 3.3Å; I430-E434 WeakPolarHBondContact O-CB 3.34Å; I430-E434 WeakPolarHBondContact O-CG 3.35Å; I430-E434 PolarHBondContact O-N 3.01Å; E434-K437 PolarHBondContact O-N 3.35Å; E434-K438 WeakPolarHBondContact O-CB 3.5Å; E434-K438 PolarHBondContact O-N 2.96Å |
| 435 | E | 54.4 | Low | 53.9 | Low | 128 Ų | 128 | 102.7 Ų | 102.7 | 60% | 0.598 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.7 | -36.9 | 176.5 | -105.2 | -172.2 | 172.7 | 0 | 0 | 112.6 | T431 R439 | T431-E435 PolarHBondContact O-N 2.98Å; E435-R439 PolarHBondContact O-N 3.43Å |
| 436 | R | 53.4 | Low | 54.2 | Low | 108 Ų | 108 | 100.8 Ų | 100.8 | 41% | 0.408 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -77.8 | -34.2 | 172.7 | -76.8 | -177.4 | 173.7 | -168.6 | -3.6 | 112.1 | I432 K438 R439 L440 | I432-R436 PolarHBondContact O-N 3.2Å; I432-R436 VanDerWaalsContact O-N 3.17Å; R436-K438 VanDerWaalsContact C-N 3.3Å; R436-K438 PolarHBondContact O-N 3.35Å; R436-R439 PolarHBondContact O-N 3.14Å; R436-R439 VanDerWaalsContact O-N 3.17Å; R436-L440 WeakPolarHBondContact O-CD1 3.44Å; R436-L440 PolarHBondContact O-N 3.12Å |
| 437 | K | 51.9 | Low | 54.5 | Low | 115 Ų | 115 | 101 Ų | 101 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.3 | -38.5 | 169.8 | -117.5 | 175.4 | 172.2 | 179.4 | 0 | 111.6 | A433 E434 L440 S441 T444 | A433-K437 WeakPolarHBondContact O-CB 3.49Å; A433-K437 PolarHBondContact O-N 3.35Å; E434-K437 PolarHBondContact O-N 3.35Å; K437-L440 CarbonylContact O-C 3.56Å; K437-L440 PolarHBondContact O-N 3.27Å; K437-S441 WeakPolarHBondContact O-CA 3.4Å; K437-S441 PolarHBondContact O-N 3.34Å; K437-T444 HydrophobicContact CG-CG2 3.79Å |
| 438 | K | 52.9 | Low | 55 | Low | 170 Ų | 170 | 99.2 Ų | 99.2 | 74% | 0.739 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.9 | -43.1 | 173.4 | -97.5 | 178.7 | 174.3 | 172.5 | 0 | 112.2 | E434 R436 L440 S441 | E434-K438 WeakPolarHBondContact O-CB 3.5Å; E434-K438 PolarHBondContact O-N 2.96Å; R436-K438 VanDerWaalsContact C-N 3.3Å; R436-K438 PolarHBondContact O-N 3.35Å; K438-L440 VanDerWaalsContact C-N 3.32Å; K438-L440 PolarHBondContact O-N 2.78Å; K438-S441 WeakPolarHBondContact O-CB 3.14Å; K438-S441 PolarHBondContact O-N 2.88Å; K438-S441 PolarHBondContact O-OG 3.24Å |
| 439 | R | 52.4 | Low | 55.9 | Low | 190 Ų | 190 | 96.4 Ų | 96.4 | 72% | 0.717 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.5 | -29.3 | 175.5 | -93.9 | -175 | -84.7 | -158.2 | -6.8 | 113.6 | E435 R436 | E435-R439 PolarHBondContact O-N 3.43Å; R436-R439 PolarHBondContact O-N 3.14Å; R436-R439 VanDerWaalsContact O-N 3.17Å |
| 440 | L | 54.6 | Low | 57.1 | Low | 52 Ų | 52 | 95.8 Ų | 95.8 | 27% | 0.272 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 28.2 | 175.1 | -76.1 | 109.2 | 0 | 0 | 0 | 112.6 | I419 R436 K437 K438 F442 F443 T444 | I419-L440 HydrophobicContact CD1-CD2 3.53Å; I419-L440 HydrophobicContact CG1-CD2 3.71Å; R436-L440 WeakPolarHBondContact O-CD1 3.44Å; R436-L440 PolarHBondContact O-N 3.12Å; K437-L440 CarbonylContact O-C 3.56Å; K437-L440 PolarHBondContact O-N 3.27Å; K438-L440 VanDerWaalsContact C-N 3.32Å; K438-L440 PolarHBondContact O-N 2.78Å; L440-F442 PolarHBondContact O-N 2.85Å; L440-F442 VanDerWaalsContact O-N 3.09Å; L440-F443 HydrophobicContact CD2-CD2 4.34Å; L440-F443 PolarHBondContact O-N 3.24Å; L440-T444 HydrophobicContact CB-CG2 4.18Å; L440-T444 WeakPolarHBondContact O-CG2 3.09Å; L440-T444 PolarHBondContact O-N 2.75Å; L440-T444 VanDerWaalsContact O-N 3.07Å; L440-T444 PolarHBondContact O-OG1 3.25Å; L440-T444 VanDerWaalsContact O-OG1 3.1Å |
| 441 | S | 46.8 | Very low | 58 | Low | 82 Ų | 82 | 91.3 Ų | 91.3 | 57% | 0.573 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.4 | -175.9 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | K437 K438 F443 | K437-S441 WeakPolarHBondContact O-CA 3.4Å; K437-S441 PolarHBondContact O-N 3.34Å; K438-S441 WeakPolarHBondContact O-CB 3.14Å; K438-S441 PolarHBondContact O-N 2.88Å; K438-S441 PolarHBondContact O-OG 3.24Å; S441-F443 VanDerWaalsContact C-N 3.32Å; S441-F443 PolarHBondContact O-N 3.14Å |
| 442 | F | 54.3 | Low | 59 | Low | 139 Ų | 139 | 88.4 Ų | 88.4 | 61% | 0.61 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -31.6 | 172.7 | -171.3 | -99.6 | 0 | 0 | 0 | 113.7 | W412 L440 F446 | W412-F442 HydrophobicContact CH2-CE1 4.34Å; L440-F442 PolarHBondContact O-N 2.85Å; L440-F442 VanDerWaalsContact O-N 3.09Å; F442-F446 WeakPolarHBondContact O-CE2 3.24Å |
| 443 | F | 51.8 | Low | 60.3 | Low | 27 Ų | 27 | 89.8 Ų | 89.8 | 12% | 0.118 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -24 | -173.8 | -71.8 | -88.8 | 0 | 0 | 0 | 113.9 | W411 W412 I419 L440 S441 G445 H451 | W411-F443 HydrophobicContact CH2-CZ 4.06Å; W411-F443 AromaticContact CZ3-CZ 3.96Å; W411-F443 HydrophobicContact CZ3-CZ 3.96Å; W412-F443 HydrophobicContact CD2-CE1 4.09Å; W412-F443 AromaticContact CE3-CE1 3.61Å; W412-F443 HydrophobicContact CE3-CE1 3.61Å; W412-F443 HydrophobicContact CE3-CZ 4.16Å; W412-F443 AromaticContact CH2-CD1 3.87Å; W412-F443 HydrophobicContact CH2-CD1 3.87Å; W412-F443 AromaticContact CH2-CE1 3.32Å; W412-F443 HydrophobicContact CH2-CE1 3.32Å; W412-F443 HydrophobicContact CH2-CZ 4.12Å; W412-F443 HydrophobicContact CZ2-CD1 4.09Å; W412-F443 AromaticContact CZ2-CE1 3.82Å; W412-F443 HydrophobicContact CZ2-CE1 3.82Å; W412-F443 HydrophobicContact CZ3-CD1 4.21Å; W412-F443 AromaticContact CZ3-CE1 3.21Å; W412-F443 HydrophobicContact CZ3-CE1 3.21Å; W412-F443 AromaticContact CZ3-CZ 3.68Å; W412-F443 HydrophobicContact CZ3-CZ 3.68Å; I419-F443 HydrophobicContact CD1-CB 3.51Å; I419-F443 HydrophobicContact CD1-CG 4.19Å; L440-F443 HydrophobicContact CD2-CD2 4.34Å; L440-F443 PolarHBondContact O-N 3.24Å; S441-F443 VanDerWaalsContact C-N 3.32Å; S441-F443 PolarHBondContact O-N 3.14Å; F443-G445 VanDerWaalsContact C-N 3.33Å; F443-G445 PolarHBondContact O-N 3.43Å; F443-H451 PolarHBondContact O-CE1 3.36Å; F443-H451 PolarHBondContact O-NE2 3.4Å; F443-H451 VanDerWaalsContact O-NE2 3.15Å |
| 444 | T | 52.1 | Low | 62 | Low | 48 Ų | 48 | 90.1 Ų | 90.1 | 29% | 0.294 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -4.9 | -170.7 | 50.7 | 0 | 0 | 0 | 0 | 114.2 | I419 K437 L440 | I419-T444 HydrophobicContact CG2-CG2 4.15Å; K437-T444 HydrophobicContact CG-CG2 3.79Å; L440-T444 HydrophobicContact CB-CG2 4.18Å; L440-T444 WeakPolarHBondContact O-CG2 3.09Å; L440-T444 PolarHBondContact O-N 2.75Å; L440-T444 VanDerWaalsContact O-N 3.07Å; L440-T444 PolarHBondContact O-OG1 3.25Å; L440-T444 VanDerWaalsContact O-OG1 3.1Å |
| 445 | G | 56 | Low | 63.5 | Low | 65 Ų | 65 | 85 Ų | 85 | 67% | 0.67 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -7.3 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | F443 | F443-G445 VanDerWaalsContact C-N 3.33Å; F443-G445 PolarHBondContact O-N 3.43Å |
| 446 | F | 63 | Low | 65.1 | Low | 74 Ų | 74 | 81.1 Ų | 81.1 | 33% | 0.325 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -97.6 | 133 | -175.2 | -65.3 | -65.7 | 0 | 0 | 0 | 112.2 | F442 E450 H451 I454 | F442-F446 WeakPolarHBondContact O-CE2 3.24Å; F446-E450 VanDerWaalsContact CA-OE2 3.24Å; F446-E450 WeakPolarHBondContact CA-OE2 3.31Å; F446-E450 HydrophobicContact CB-CB 4Å; F446-E450 HydrophobicContact CD1-CB 4.02Å; F446-E450 WeakPolarHBondContact CD1-OE2 3.41Å; F446-E450 HydrophobicContact CG-CB 4.43Å; F446-H451 WeakPolarHBondContact CB-NE2 3.46Å; F446-H451 PolarHBondContact O-CD2 2.99Å; F446-I454 HydrophobicContact CD1-CD1 4.26Å; F446-I454 HydrophobicContact CD2-CD1 4.36Å; F446-I454 HydrophobicContact CE1-CD1 4.19Å; F446-I454 HydrophobicContact CE2-CD1 4.28Å; F446-I454 HydrophobicContact CG-CD1 4.36Å; F446-I454 HydrophobicContact CZ-CD1 4.2Å |
| 447 | D | 65.8 | Low | 66.9 | Low | 118 Ų | 118 | 79.9 Ų | 79.9 | 63% | 0.631 | 42% | 0.415 | S | S | * | . | trans | -66.5 | 157.2 | 170.6 | -91.4 | -16.8 | 0 | 0 | 0 | 111.1 | V449 E450 H451 | D447-V449 PolarHBondContact O-N 3.08Å; D447-E450 HydrophobicContact CB-CG 4.22Å; D447-E450 PolarHBondContact N-OE2 3.31Å; D447-E450 WeakPolarHBondContact O-CA 3.5Å; D447-E450 WeakPolarHBondContact O-CB 3.48Å; D447-E450 PolarHBondContact O-N 3.39Å; D447-H451 PolarHBondContact O-N 2.69Å | ||
| 448 | S | 65.9 | Low | 68.7 | Low | 61 Ų | 61 | 75.1 Ų | 75.1 | 43% | 0.427 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -51.7 | -32.3 | 176.9 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | L452 | S448-L452 PolarHBondContact O-N 3.03Å |
| 449 | V | 72.5 | Confident | 70.5 | Confident | 77 Ų | 77 | 67.2 Ų | 67.2 | 47% | 0.467 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -73.1 | -35 | 176.1 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | D447 L452 K453 | D447-V449 PolarHBondContact O-N 3.08Å; V449-L452 PolarHBondContact O-N 2.91Å; V449-K453 HydrophobicContact CG1-CD 4.43Å; V449-K453 VanDerWaalsContact O-CG 3.32Å; V449-K453 WeakPolarHBondContact O-CG 3.22Å; V449-K453 PolarHBondContact O-N 3.26Å |
| 450 | E | 77.5 | Confident | 72.3 | Confident | 79 Ų | 79 | 61.8 Ų | 61.8 | 37% | 0.369 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.5 | -41.1 | 179.7 | -63.9 | -177.8 | 145.6 | 0 | 0 | 111.4 | F446 D447 L452 K453 I454 | F446-E450 VanDerWaalsContact CA-OE2 3.24Å; F446-E450 WeakPolarHBondContact CA-OE2 3.31Å; F446-E450 HydrophobicContact CB-CB 4Å; F446-E450 HydrophobicContact CD1-CB 4.02Å; F446-E450 WeakPolarHBondContact CD1-OE2 3.41Å; F446-E450 HydrophobicContact CG-CB 4.43Å; D447-E450 HydrophobicContact CB-CG 4.22Å; D447-E450 PolarHBondContact N-OE2 3.31Å; D447-E450 WeakPolarHBondContact O-CA 3.5Å; D447-E450 WeakPolarHBondContact O-CB 3.48Å; D447-E450 PolarHBondContact O-N 3.39Å; E450-L452 VanDerWaalsContact C-N 3.32Å; E450-L452 PolarHBondContact O-N 3.3Å; E450-K453 WeakPolarHBondContact O-CB 3.44Å; E450-K453 PolarHBondContact O-N 2.72Å; E450-I454 WeakPolarHBondContact O-CG1 3.41Å; E450-I454 PolarHBondContact O-N 3.3Å |
| 451 | H | 73.8 | Confident | 74.1 | Confident | 11 Ų | 11 | 62.1 Ų | 62.1 | 5% | 0.051 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.7 | -45.7 | 170.7 | -80.6 | -65 | 0 | 0 | 0 | 111.9 | W412 E416 F443 F446 D447 K453 I454 W455 | W412-H451 AromaticContact CZ2-ND1 3.86Å; W412-H451 AromaticContact NE1-ND1 3.82Å; E416-H451 HydrophobicContact CG-CB 4.4Å; E416-H451 WeakPolarHBondContact OE1-CB 3.27Å; E416-H451 IonicContact OE1-CG 3.9Å; F443-H451 PolarHBondContact O-CE1 3.36Å; F443-H451 PolarHBondContact O-NE2 3.4Å; F443-H451 VanDerWaalsContact O-NE2 3.15Å; F446-H451 WeakPolarHBondContact CB-NE2 3.46Å; F446-H451 PolarHBondContact O-CD2 2.99Å; D447-H451 PolarHBondContact O-N 2.69Å; H451-K453 VanDerWaalsContact C-N 3.34Å; H451-K453 PolarHBondContact O-N 3Å; H451-I454 PolarHBondContact O-N 3.49Å; H451-W455 WeakPolarHBondContact O-CB 3.2Å; H451-W455 PolarHBondContact O-N 2.7Å |
| 452 | L | 78.3 | Confident | 76.1 | Confident | 45 Ų | 45 | 58.2 Ų | 58.2 | 24% | 0.236 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 177.4 | -169.1 | 66.8 | 0 | 0 | 0 | 112.3 | L73 S448 V449 E450 W455 T456 | L73-L452 HydrophobicContact CD1-CD1 3.6Å; L73-L452 HydrophobicContact CD1-CG 4.18Å; S448-L452 PolarHBondContact O-N 3.03Å; V449-L452 PolarHBondContact O-N 2.91Å; E450-L452 VanDerWaalsContact C-N 3.32Å; E450-L452 PolarHBondContact O-N 3.3Å; L452-W455 HydrophobicContact CD1-CE3 4.16Å; L452-T456 WeakPolarHBondContact O-CB 3.3Å; L452-T456 PolarHBondContact O-N 2.72Å; L452-T456 PolarHBondContact O-OG1 3.29Å |
| 453 | K | 84.6 | Confident | 77.9 | Confident | 140 Ų | 140 | 54.1 Ų | 54.1 | 61% | 0.609 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.2 | -45.4 | 175.1 | -76.1 | 171.2 | -180 | 174 | 0 | 111.7 | V449 E450 H451 T456 C457 | V449-K453 HydrophobicContact CG1-CD 4.43Å; V449-K453 VanDerWaalsContact O-CG 3.32Å; V449-K453 WeakPolarHBondContact O-CG 3.22Å; V449-K453 PolarHBondContact O-N 3.26Å; E450-K453 WeakPolarHBondContact O-CB 3.44Å; E450-K453 PolarHBondContact O-N 2.72Å; H451-K453 VanDerWaalsContact C-N 3.34Å; H451-K453 PolarHBondContact O-N 3Å; K453-T456 WeakPolarHBondContact O-CB 3.11Å; K453-T456 PolarHBondContact O-N 2.98Å; K453-C457 PolarHBondContact O-N 3.12Å |
| 454 | I | 86 | Confident | 79.8 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 26% | 0.256 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.7 | -48.4 | 177.4 | -66.9 | 166.2 | 0 | 0 | 0 | 109.8 | W412 F446 E450 H451 T456 C457 M458 | W412-I454 HydrophobicContact CH2-CG2 4.3Å; W412-I454 HydrophobicContact CZ2-CD1 4.3Å; W412-I454 HydrophobicContact CZ2-CG2 3.86Å; F446-I454 HydrophobicContact CD1-CD1 4.26Å; F446-I454 HydrophobicContact CD2-CD1 4.36Å; F446-I454 HydrophobicContact CE1-CD1 4.19Å; F446-I454 HydrophobicContact CE2-CD1 4.28Å; F446-I454 HydrophobicContact CG-CD1 4.36Å; F446-I454 HydrophobicContact CZ-CD1 4.2Å; E450-I454 WeakPolarHBondContact O-CG1 3.41Å; E450-I454 PolarHBondContact O-N 3.3Å; H451-I454 PolarHBondContact O-N 3.49Å; I454-T456 VanDerWaalsContact C-N 3.3Å; I454-T456 PolarHBondContact O-N 2.96Å; I454-C457 WeakPolarHBondContact O-CB 3.29Å; I454-C457 PolarHBondContact O-N 3.23Å; I454-C457 VanDerWaalsContact O-N 3.12Å; I454-M458 HydrophobicContact CG2-SD 4.01Å; I454-M458 WeakPolarHBondContact O-CG 3.13Å; I454-M458 PolarHBondContact O-N 3.06Å |
| 455 | W | 85.2 | Confident | 81.6 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 2% | 0.023 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62 | -37.7 | 178.6 | -170.1 | 65.6 | 0 | 0 | 0 | 112.3 | R69 L72 L73 L76 C409 L413 H451 L452 M458 I459 | R69-W455 HydrophobicContact CB-CZ2 4.47Å; L72-W455 HydrophobicContact CB-CH2 4.22Å; L72-W455 HydrophobicContact CD2-CH2 3.85Å; L72-W455 HydrophobicContact CD2-CZ2 4.22Å; L72-W455 HydrophobicContact CG-CH2 3.97Å; L73-W455 HydrophobicContact CB-CE3 4.44Å; L73-W455 HydrophobicContact CB-CH2 4.3Å; L73-W455 HydrophobicContact CB-CZ3 3.68Å; L73-W455 HydrophobicContact CD1-CE3 3.63Å; L73-W455 HydrophobicContact CD1-CZ3 3.61Å; L73-W455 HydrophobicContact CG-CZ3 4.26Å; L76-W455 HydrophobicContact CD1-CZ3 4.27Å; C409-W455 PolarHBondContact O-NE1 3.03Å; L413-W455 HydrophobicContact CD2-CZ2 4.41Å; H451-W455 WeakPolarHBondContact O-CB 3.2Å; H451-W455 PolarHBondContact O-N 2.7Å; L452-W455 HydrophobicContact CD1-CE3 4.16Å; W455-M458 WeakPolarHBondContact O-CB 3.3Å; W455-M458 PolarHBondContact O-N 3.22Å; W455-I459 HydrophobicContact CD2-CD1 3.64Å; W455-I459 HydrophobicContact CD2-CG1 4.44Å; W455-I459 HydrophobicContact CE3-CD1 3.69Å; W455-I459 HydrophobicContact CG-CD1 4.36Å; W455-I459 HydrophobicContact CH2-CD1 3.78Å; W455-I459 HydrophobicContact CZ2-CD1 3.75Å; W455-I459 HydrophobicContact CZ3-CD1 3.77Å; W455-I459 VanDerWaalsContact O-CG1 3.29Å; W455-I459 WeakPolarHBondContact O-CG1 3.5Å; W455-I459 PolarHBondContact O-N 3.35Å |
| 456 | T | 87.7 | Confident | 83.1 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 29% | 0.288 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 172.6 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | L73 L452 K453 I454 M458 I459 V460 | L73-T456 WeakPolarHBondContact CD1-OG1 3.2Å; L73-T456 HydrophobicContact CD2-CG2 3.89Å; L452-T456 WeakPolarHBondContact O-CB 3.3Å; L452-T456 PolarHBondContact O-N 2.72Å; L452-T456 PolarHBondContact O-OG1 3.29Å; K453-T456 WeakPolarHBondContact O-CB 3.11Å; K453-T456 PolarHBondContact O-N 2.98Å; I454-T456 VanDerWaalsContact C-N 3.3Å; I454-T456 PolarHBondContact O-N 2.96Å; T456-M458 VanDerWaalsContact C-N 3.29Å; T456-M458 PolarHBondContact O-N 3.09Å; T456-I459 PolarHBondContact O-N 3.3Å; T456-V460 WeakPolarHBondContact O-CG2 3.39Å; T456-V460 PolarHBondContact O-N 3.1Å |
| 457 | C | 91.4 | Very high | 84.3 | Confident | 81 Ų | 81 | 53.2 Ų | 53.2 | 55% | 0.547 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 176.9 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | K453 I454 V460 T461 | K453-C457 PolarHBondContact O-N 3.12Å; I454-C457 WeakPolarHBondContact O-CB 3.29Å; I454-C457 PolarHBondContact O-N 3.23Å; I454-C457 VanDerWaalsContact O-N 3.12Å; C457-V460 PolarHBondContact O-N 3.48Å; C457-T461 WeakPolarHBondContact O-CB 3.29Å; C457-T461 PolarHBondContact O-N 2.92Å; C457-T461 PolarHBondContact O-OG1 3Å |
| 458 | M | 90.3 | Very high | 85.5 | Confident | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.5 | -45 | 175.4 | -66.6 | 171.1 | 59.7 | 0 | 0 | 111.8 | F405 F408 C409 W412 I454 W455 T456 V460 T461 L462 | F405-M458 HydrophobicContact CE1-CB 4.47Å; F405-M458 WeakPolarHBondContact CE1-O 3.4Å; F405-M458 HydrophobicContact CZ-CB 3.99Å; F405-M458 HydrophobicContact CZ-CG 4.16Å; F408-M458 HydrophobicContact CD1-CE 3.28Å; F408-M458 HydrophobicContact CE1-CE 3.46Å; F408-M458 VanDerWaalsContact CE1-CE 3.46Å; F408-M458 HydrophobicContact CE1-SD 4.24Å; F408-M458 HydrophobicContact CG-CE 4.33Å; C409-M458 HydrophobicContact CB-CE 4.35Å; W412-M458 HydrophobicContact CB-CE 4.31Å; W412-M458 HydrophobicContact CD2-SD 4.29Å; W412-M458 HydrophobicContact CG-SD 4.36Å; I454-M458 HydrophobicContact CG2-SD 4.01Å; I454-M458 WeakPolarHBondContact O-CG 3.13Å; I454-M458 PolarHBondContact O-N 3.06Å; W455-M458 WeakPolarHBondContact O-CB 3.3Å; W455-M458 PolarHBondContact O-N 3.22Å; T456-M458 VanDerWaalsContact C-N 3.29Å; T456-M458 PolarHBondContact O-N 3.09Å; M458-V460 PolarHBondContact O-N 3.1Å; M458-T461 PolarHBondContact O-N 3.15Å; M458-L462 WeakPolarHBondContact O-CB 3.47Å; M458-L462 PolarHBondContact O-N 3.29Å |
| 459 | I | 89.9 | Confident | 86.5 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 176.7 | -70.6 | 169.3 | 0 | 0 | 0 | 111.3 | V66 R69 I70 L73 W455 T456 L462 L463 | V66-I459 HydrophobicContact CG1-CB 4.46Å; V66-I459 HydrophobicContact CG1-CG2 3.35Å; R69-I459 HydrophobicContact CB-CD1 3.85Å; R69-I459 HydrophobicContact CB-CG1 4.02Å; R69-I459 HydrophobicContact CB-CG2 4.43Å; I70-I459 HydrophobicContact CG1-CG2 3.84Å; L73-I459 HydrophobicContact CB-CD1 4.27Å; L73-I459 HydrophobicContact CD2-CD1 4.32Å; W455-I459 HydrophobicContact CD2-CD1 3.64Å; W455-I459 HydrophobicContact CD2-CG1 4.44Å; W455-I459 HydrophobicContact CE3-CD1 3.69Å; W455-I459 HydrophobicContact CG-CD1 4.36Å; W455-I459 HydrophobicContact CH2-CD1 3.78Å; W455-I459 HydrophobicContact CZ2-CD1 3.75Å; W455-I459 HydrophobicContact CZ3-CD1 3.77Å; W455-I459 VanDerWaalsContact O-CG1 3.29Å; W455-I459 WeakPolarHBondContact O-CG1 3.5Å; W455-I459 PolarHBondContact O-N 3.35Å; T456-I459 PolarHBondContact O-N 3.3Å; I459-L462 PolarHBondContact O-N 3.03Å; I459-L463 PolarHBondContact O-N 2.88Å |
| 460 | V | 91.5 | Very high | 87.1 | Confident | 77 Ų | 77 | 45.9 Ų | 45.9 | 47% | 0.467 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.5 | -45.1 | 178.9 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | T456 C457 M458 L462 L463 L464 | T456-V460 WeakPolarHBondContact O-CG2 3.39Å; T456-V460 PolarHBondContact O-N 3.1Å; C457-V460 PolarHBondContact O-N 3.48Å; M458-V460 PolarHBondContact O-N 3.1Å; V460-L462 VanDerWaalsContact C-N 3.29Å; V460-L462 PolarHBondContact O-N 3.48Å; V460-L463 WeakPolarHBondContact O-CB 3.46Å; V460-L463 PolarHBondContact O-N 3.08Å; V460-L464 PolarHBondContact O-N 3.23Å; V460-L464 VanDerWaalsContact O-N 3.14Å |
| 461 | T | 91.5 | Very high | 87.7 | Confident | 58 Ų | 58 | 44 Ų | 44 | 36% | 0.356 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 176.2 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | F405 C457 M458 L463 L464 V465 | F405-T461 HydrophobicContact CE1-CG2 3.85Å; F405-T461 HydrophobicContact CZ-CG2 3.99Å; C457-T461 WeakPolarHBondContact O-CB 3.29Å; C457-T461 PolarHBondContact O-N 2.92Å; C457-T461 PolarHBondContact O-OG1 3Å; M458-T461 PolarHBondContact O-N 3.15Å; T461-L463 VanDerWaalsContact C-N 3.31Å; T461-L463 PolarHBondContact O-N 3.45Å; T461-L464 PolarHBondContact O-N 2.87Å; T461-V465 HydrophobicContact CG2-CG2 4.38Å; T461-V465 WeakPolarHBondContact O-CG2 3.13Å; T461-V465 PolarHBondContact O-N 3.42Å |
| 462 | L | 90.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 178.5 | -179.1 | 62.9 | 0 | 0 | 0 | 111.2 | V66 R69 V402 F405 Y406 M458 I459 V460 S466 | V66-L462 HydrophobicContact CG2-CB 4.34Å; V66-L462 HydrophobicContact CG2-CD2 4.12Å; V66-L462 HydrophobicContact CG2-CG 3.91Å; R69-L462 VanDerWaalsContact NH1-CD2 3.32Å; V402-L462 HydrophobicContact CG1-CD1 4.07Å; F405-L462 HydrophobicContact CB-CD1 4.34Å; F405-L462 HydrophobicContact CD1-CB 3.69Å; F405-L462 HydrophobicContact CD1-CD1 3.8Å; F405-L462 HydrophobicContact CD1-CG 4.28Å; F405-L462 HydrophobicContact CE1-CB 3.82Å; Y406-L462 HydrophobicContact CD2-CD2 4.14Å; M458-L462 WeakPolarHBondContact O-CB 3.47Å; M458-L462 PolarHBondContact O-N 3.29Å; I459-L462 PolarHBondContact O-N 3.03Å; V460-L462 VanDerWaalsContact C-N 3.29Å; V460-L462 PolarHBondContact O-N 3.48Å; L462-S466 WeakPolarHBondContact O-CB 3.39Å; L462-S466 PolarHBondContact O-N 2.83Å; L462-S466 PolarHBondContact O-OG 2.98Å |
| 463 | L | 91.1 | Very high | 88.6 | Confident | 53 Ų | 53 | 44.9 Ų | 44.9 | 28% | 0.277 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.2 | -46.8 | 177.5 | 179.6 | 64.8 | 0 | 0 | 0 | 111.8 | V66 I459 V460 T461 S466 V467 | V66-L463 HydrophobicContact CB-CB 4.31Å; V66-L463 HydrophobicContact CB-CD1 4.15Å; V66-L463 HydrophobicContact CG1-CB 4.17Å; V66-L463 HydrophobicContact CG2-CB 3.96Å; V66-L463 HydrophobicContact CG2-CD1 4.15Å; I459-L463 PolarHBondContact O-N 2.88Å; V460-L463 WeakPolarHBondContact O-CB 3.46Å; V460-L463 PolarHBondContact O-N 3.08Å; T461-L463 VanDerWaalsContact C-N 3.31Å; T461-L463 PolarHBondContact O-N 3.45Å; L463-S466 PolarHBondContact O-OG 2.89Å; L463-S466 VanDerWaalsContact O-OG 3.1Å; L463-V467 HydrophobicContact CD1-CG2 4Å; L463-V467 WeakPolarHBondContact O-CB 3.49Å; L463-V467 VanDerWaalsContact O-CG2 3.24Å; L463-V467 WeakPolarHBondContact O-CG2 3.44Å; L463-V467 PolarHBondContact O-N 2.84Å |
| 464 | L | 91.7 | Very high | 88.6 | Confident | 117 Ų | 117 | 38.2 Ų | 38.2 | 61% | 0.613 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63.7 | -47.1 | -179.2 | -66.7 | 176.3 | 0 | 0 | 0 | 111 | V460 T461 L468 | V460-L464 PolarHBondContact O-N 3.23Å; V460-L464 VanDerWaalsContact O-N 3.14Å; T461-L464 PolarHBondContact O-N 2.87Å; L464-L468 VanDerWaalsContact O-CB 3.23Å; L464-L468 WeakPolarHBondContact O-CB 3.42Å; L464-L468 PolarHBondContact O-N 3.12Å |
| 465 | V | 89.6 | Confident | 88.6 | Confident | 50 Ų | 50 | 39.3 Ų | 39.3 | 30% | 0.303 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.9 | -39.6 | -179.6 | -173.6 | 0 | 0 | 0 | 0 | 111 | M398 V402 T461 L468 Q469 | M398-V465 HydrophobicContact CE-CG1 3.98Å; M398-V465 WeakPolarHBondContact CE-O 3.43Å; V402-V465 HydrophobicContact CG2-CB 4.14Å; V402-V465 HydrophobicContact CG2-CG1 3.39Å; T461-V465 HydrophobicContact CG2-CG2 4.38Å; T461-V465 WeakPolarHBondContact O-CG2 3.13Å; T461-V465 PolarHBondContact O-N 3.42Å; V465-L468 PolarHBondContact O-N 2.9Å; V465-Q469 VanDerWaalsContact O-CB 3.24Å; V465-Q469 WeakPolarHBondContact O-CB 3.45Å; V465-Q469 PolarHBondContact O-N 2.95Å |
| 466 | S | 86.9 | Confident | 88.7 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.9 | -39.7 | 179.8 | 70.1 | 0 | 0 | 0 | 0 | 112.8 | G62 L462 L463 A470 | G62-S466 WeakPolarHBondContact O-CB 3.46Å; G62-S466 PolarHBondContact O-OG 2.93Å; L462-S466 WeakPolarHBondContact O-CB 3.39Å; L462-S466 PolarHBondContact O-N 2.83Å; L462-S466 PolarHBondContact O-OG 2.98Å; L463-S466 PolarHBondContact O-OG 2.89Å; L463-S466 VanDerWaalsContact O-OG 3.1Å; S466-A470 WeakPolarHBondContact O-CB 3.48Å; S466-A470 PolarHBondContact O-N 3.43Å |
| 467 | V | 89.8 | Confident | 88.5 | Confident | 26 Ų | 26 | 37.5 Ų | 37.5 | 16% | 0.158 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.4 | -46.4 | 175.1 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | V59 L463 Q469 A470 I471 | V59-V467 HydrophobicContact CG2-CG1 4.2Å; L463-V467 HydrophobicContact CD1-CG2 4Å; L463-V467 WeakPolarHBondContact O-CB 3.49Å; L463-V467 VanDerWaalsContact O-CG2 3.24Å; L463-V467 WeakPolarHBondContact O-CG2 3.44Å; L463-V467 PolarHBondContact O-N 2.84Å; V467-Q469 VanDerWaalsContact C-N 3.3Å; V467-Q469 PolarHBondContact O-N 3.09Å; V467-A470 PolarHBondContact O-N 2.79Å; V467-I471 HydrophobicContact CG1-CD1 3.84Å; V467-I471 HydrophobicContact CG1-CG1 4.45Å; V467-I471 VanDerWaalsContact O-CG1 3.29Å; V467-I471 WeakPolarHBondContact O-CG1 3.35Å; V467-I471 PolarHBondContact O-N 3.22Å |
| 468 | L | 90.6 | Very high | 88.3 | Confident | 92 Ų | 92 | 33.8 Ų | 33.8 | 48% | 0.482 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.7 | -44.1 | 176.5 | -177.5 | 64 | 0 | 0 | 0 | 111.1 | M398 L464 V465 A470 I471 I472 | M398-L468 HydrophobicContact CE-CB 3.91Å; M398-L468 HydrophobicContact CE-CD2 3.88Å; M398-L468 HydrophobicContact CE-CG 3.79Å; L464-L468 VanDerWaalsContact O-CB 3.23Å; L464-L468 WeakPolarHBondContact O-CB 3.42Å; L464-L468 PolarHBondContact O-N 3.12Å; V465-L468 PolarHBondContact O-N 2.9Å; L468-A470 PolarHBondContact O-N 3.41Å; L468-I471 PolarHBondContact O-N 2.94Å; L468-I472 HydrophobicContact CD1-CD1 4.09Å; L468-I472 HydrophobicContact CD1-CG1 4.33Å; L468-I472 HydrophobicContact CG-CD1 3.88Å; L468-I472 HydrophobicContact CG-CG1 4.48Å; L468-I472 VanDerWaalsContact O-CG1 3.3Å; L468-I472 WeakPolarHBondContact O-CG1 3.25Å; L468-I472 PolarHBondContact O-N 3.22Å |
| 469 | Q | 87.2 | Confident | 88.2 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 176.7 | -170.4 | -156.1 | -6.7 | 0 | 0 | 111.6 | M398 V402 V465 V467 I471 I472 L473 | M398-Q469 HydrophobicContact CB-CG 4.38Å; M398-Q469 VanDerWaalsContact CE-CA 3.5Å; M398-Q469 HydrophobicContact CE-CB 3.65Å; M398-Q469 HydrophobicContact CE-CG 4.4Å; M398-Q469 VanDerWaalsContact CE-N 3.29Å; M398-Q469 HydrophobicContact CG-CB 4.1Å; M398-Q469 HydrophobicContact CG-CG 3.9Å; M398-Q469 VanDerWaalsContact SD-CA 3.57Å; M398-Q469 HydrophobicContact SD-CB 3.69Å; M398-Q469 HydrophobicContact SD-CG 3.79Å; V402-Q469 HydrophobicContact CG2-CB 4.37Å; V465-Q469 VanDerWaalsContact O-CB 3.24Å; V465-Q469 WeakPolarHBondContact O-CB 3.45Å; V465-Q469 PolarHBondContact O-N 2.95Å; V467-Q469 VanDerWaalsContact C-N 3.3Å; V467-Q469 PolarHBondContact O-N 3.09Å; Q469-I471 VanDerWaalsContact C-N 3.27Å; Q469-I471 PolarHBondContact O-N 2.89Å; Q469-I472 PolarHBondContact O-N 2.99Å; Q469-L473 WeakPolarHBondContact O-CB 3.36Å; Q469-L473 PolarHBondContact O-N 3.29Å |
| 470 | A | 84.7 | Confident | 88 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -38.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A58 S466 V467 L468 R474 | A58-A470 HydrophobicContact CB-CB 4.17Å; A58-A470 WeakPolarHBondContact O-CB 3.48Å; S466-A470 WeakPolarHBondContact O-CB 3.48Å; S466-A470 PolarHBondContact O-N 3.43Å; V467-A470 PolarHBondContact O-N 2.79Å; L468-A470 PolarHBondContact O-N 3.41Å; A470-R474 WeakPolarHBondContact O-CB 3.44Å; A470-R474 PolarHBondContact O-N 2.97Å |
| 471 | I | 89.3 | Confident | 87.8 | Confident | 40 Ų | 40 | 36.1 Ų | 36.1 | 21% | 0.205 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.3 | -56.5 | 175 | -69.7 | 170.3 | 0 | 0 | 0 | 110 | L55 A58 V467 L468 Q469 L473 R474 F475 | L55-I471 HydrophobicContact CD1-CD1 3.89Å; L55-I471 HydrophobicContact CD1-CG1 4.02Å; A58-I471 HydrophobicContact CB-CB 4.46Å; A58-I471 HydrophobicContact CB-CG1 3.79Å; V467-I471 HydrophobicContact CG1-CD1 3.84Å; V467-I471 HydrophobicContact CG1-CG1 4.45Å; V467-I471 VanDerWaalsContact O-CG1 3.29Å; V467-I471 WeakPolarHBondContact O-CG1 3.35Å; V467-I471 PolarHBondContact O-N 3.22Å; L468-I471 PolarHBondContact O-N 2.94Å; Q469-I471 VanDerWaalsContact C-N 3.27Å; Q469-I471 PolarHBondContact O-N 2.89Å; I471-L473 VanDerWaalsContact C-N 3.32Å; I471-L473 PolarHBondContact O-N 3.5Å; I471-R474 PolarHBondContact O-N 3.28Å; I471-R474 VanDerWaalsContact O-N 3.08Å; I471-F475 HydrophobicContact CG2-CD2 3.69Å; I471-F475 HydrophobicContact CG2-CE2 3.79Å; I471-F475 VanDerWaalsContact O-CD2 3.31Å; I471-F475 WeakPolarHBondContact O-CD2 3.27Å; I471-F475 PolarHBondContact O-N 3.43Å |
| 472 | I | 88.1 | Confident | 87.7 | Confident | 67 Ų | 67 | 35.6 Ų | 35.6 | 34% | 0.344 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.9 | -44.2 | -176.4 | -61.1 | 168.4 | 0 | 0 | 0 | 110.9 | L395 M398 L468 Q469 R474 S476 | L395-I472 HydrophobicContact CD2-CB 4.21Å; L395-I472 HydrophobicContact CD2-CG2 3.61Å; M398-I472 HydrophobicContact CE-CD1 4.32Å; M398-I472 HydrophobicContact SD-CD1 3.98Å; L468-I472 HydrophobicContact CD1-CD1 4.09Å; L468-I472 HydrophobicContact CD1-CG1 4.33Å; L468-I472 HydrophobicContact CG-CD1 3.88Å; L468-I472 HydrophobicContact CG-CG1 4.48Å; L468-I472 VanDerWaalsContact O-CG1 3.3Å; L468-I472 WeakPolarHBondContact O-CG1 3.25Å; L468-I472 PolarHBondContact O-N 3.22Å; Q469-I472 PolarHBondContact O-N 2.99Å; I472-R474 VanDerWaalsContact C-N 3.35Å; I472-R474 PolarHBondContact O-N 2.94Å; I472-S476 VanDerWaalsContact O-CB 3.26Å; I472-S476 WeakPolarHBondContact O-CB 3.25Å; I472-S476 PolarHBondContact O-N 3.4Å; I472-S476 PolarHBondContact O-OG 3.02Å |
| 473 | L | 83.6 | Confident | 87.7 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -47.2 | 176.4 | 179.5 | 63.3 | 0 | 0 | 0 | 111.2 | L395 Q469 I471 S476 L477 M526 | L395-L473 HydrophobicContact CD1-CD1 4.42Å; L395-L473 HydrophobicContact CD2-CB 4.26Å; L395-L473 HydrophobicContact CD2-CD1 4.5Å; Q469-L473 WeakPolarHBondContact O-CB 3.36Å; Q469-L473 PolarHBondContact O-N 3.29Å; I471-L473 VanDerWaalsContact C-N 3.32Å; I471-L473 PolarHBondContact O-N 3.5Å; L473-S476 WeakPolarHBondContact O-CB 3.48Å; L473-S476 PolarHBondContact O-N 3.46Å; L473-L477 HydrophobicContact CD1-CD1 4.2Å; L473-L477 HydrophobicContact CD1-CG 4.44Å; L473-L477 HydrophobicContact CG-CD1 4.06Å; L473-L477 WeakPolarHBondContact O-CG 3.44Å; L473-L477 PolarHBondContact O-N 2.86Å; L473-M526 HydrophobicContact CD1-CE 4.2Å; L473-M526 HydrophobicContact CD2-CB 4.09Å; L473-M526 HydrophobicContact CD2-CG 4.46Å |
| 474 | R | 83.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.1 | -44.6 | -176.3 | -174.8 | 56.7 | 155.5 | -165.2 | 27.6 | 112.8 | A54 A58 A470 I471 I472 S476 L477 L478 T519 F520 N523 | A54-R474 HydrophobicContact CB-CG 3.41Å; A54-R474 VanDerWaalsContact CB-CG 3.41Å; A58-R474 HydrophobicContact CB-CB 4.28Å; A470-R474 WeakPolarHBondContact O-CB 3.44Å; A470-R474 PolarHBondContact O-N 2.97Å; I471-R474 PolarHBondContact O-N 3.28Å; I471-R474 VanDerWaalsContact O-N 3.08Å; I472-R474 VanDerWaalsContact C-N 3.35Å; I472-R474 PolarHBondContact O-N 2.94Å; R474-S476 VanDerWaalsContact C-N 3.31Å; R474-S476 PolarHBondContact O-N 2.91Å; R474-L477 PolarHBondContact O-N 2.75Å; R474-L478 WeakPolarHBondContact O-CG 3.2Å; R474-L478 PolarHBondContact O-N 3.48Å; R474-L478 VanDerWaalsContact O-N 3.12Å; R474-T519 VanDerWaalsContact NH1-C 3.32Å; R474-T519 PolarHBondContact NH1-O 3.12Å; R474-F520 VanDerWaalsContact NH2-CG 3.27Å; R474-N523 WeakPolarHBondContact CD-ND2 3.5Å; R474-N523 PolarHBondContact NH1-ND2 3.3Å |
| 475 | F | 87.6 | Confident | 87.6 | Confident | 74 Ų | 74 | 31.8 Ų | 31.8 | 33% | 0.325 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -66.6 | -34.4 | 176.7 | -82.8 | -84.5 | 0 | 0 | 0 | 112.1 | R51 I471 L478 R479 | R51-F475 HydrophobicContact CB-CE1 3.85Å; R51-F475 HydrophobicContact CB-CZ 4.35Å; R51-F475 HydrophobicContact CG-CD1 4.14Å; R51-F475 HydrophobicContact CG-CE1 3.63Å; I471-F475 HydrophobicContact CG2-CD2 3.69Å; I471-F475 HydrophobicContact CG2-CE2 3.79Å; I471-F475 VanDerWaalsContact O-CD2 3.31Å; I471-F475 WeakPolarHBondContact O-CD2 3.27Å; I471-F475 PolarHBondContact O-N 3.43Å; F475-L478 PolarHBondContact O-N 3.12Å; F475-R479 PolarHBondContact O-N 3.07Å |
| 476 | S | 86.6 | Confident | 87.6 | Confident | 14 Ų | 14 | 31.2 Ų | 31.2 | 10% | 0.098 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 175.9 | -65.4 | 0 | 0 | 0 | 0 | 112.4 | I472 L473 R474 R479 S480 | I472-S476 VanDerWaalsContact O-CB 3.26Å; I472-S476 WeakPolarHBondContact O-CB 3.25Å; I472-S476 PolarHBondContact O-N 3.4Å; I472-S476 PolarHBondContact O-OG 3.02Å; L473-S476 WeakPolarHBondContact O-CB 3.48Å; L473-S476 PolarHBondContact O-N 3.46Å; R474-S476 VanDerWaalsContact C-N 3.31Å; R474-S476 PolarHBondContact O-N 2.91Å; S476-R479 WeakPolarHBondContact O-CB 3.32Å; S476-R479 PolarHBondContact O-N 2.86Å; S476-S480 PolarHBondContact O-N 3.44Å; S476-S480 VanDerWaalsContact O-N 3.11Å |
| 477 | L | 84.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.1 | -41.8 | 176.8 | -65.4 | 164.7 | 0 | 0 | 0 | 112.3 | Y382 L473 R474 R479 S480 A481 W522 | Y382-L477 HydrophobicContact CE1-CD2 3.78Å; L473-L477 HydrophobicContact CD1-CD1 4.2Å; L473-L477 HydrophobicContact CD1-CG 4.44Å; L473-L477 HydrophobicContact CG-CD1 4.06Å; L473-L477 WeakPolarHBondContact O-CG 3.44Å; L473-L477 PolarHBondContact O-N 2.86Å; R474-L477 PolarHBondContact O-N 2.75Å; L477-R479 VanDerWaalsContact C-N 3.25Å; L477-R479 PolarHBondContact O-N 3.17Å; L477-S480 PolarHBondContact O-N 2.85Å; L477-A481 PolarHBondContact O-N 3.15Å; L477-W522 HydrophobicContact CD1-CB 4.21Å; L477-W522 HydrophobicContact CD1-CG 4.17Å; L477-W522 HydrophobicContact CD2-CG 3.96Å |
| 478 | L | 85.9 | Confident | 87.8 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.2 | -36.5 | 173.9 | -76 | 179 | 0 | 0 | 0 | 112.2 | M47 L50 R51 A54 R474 F475 A481 F482 T519 | M47-L478 HydrophobicContact CE-CD2 4.4Å; M47-L478 HydrophobicContact SD-CB 3.83Å; M47-L478 HydrophobicContact SD-CD1 4.23Å; M47-L478 HydrophobicContact SD-CD2 3.95Å; M47-L478 HydrophobicContact SD-CG 4.23Å; L50-L478 HydrophobicContact CB-CD2 4.23Å; R51-L478 HydrophobicContact CG-CD1 4.06Å; A54-L478 HydrophobicContact CB-CD1 3.59Å; R474-L478 WeakPolarHBondContact O-CG 3.2Å; R474-L478 PolarHBondContact O-N 3.48Å; R474-L478 VanDerWaalsContact O-N 3.12Å; F475-L478 PolarHBondContact O-N 3.12Å; L478-A481 PolarHBondContact O-N 3.42Å; L478-F482 PolarHBondContact O-N 2.83Å; L478-T519 HydrophobicContact CD2-CG2 4.23Å |
| 479 | R | 87.6 | Confident | 87.8 | Confident | 144 Ų | 144 | 31.2 Ų | 31.2 | 54% | 0.543 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -66.1 | -42.2 | 175.6 | -171.7 | 178.7 | -172.3 | 167.9 | 3.5 | 112.1 | F475 S476 L477 F482 R483 | F475-R479 PolarHBondContact O-N 3.07Å; S476-R479 WeakPolarHBondContact O-CB 3.32Å; S476-R479 PolarHBondContact O-N 2.86Å; L477-R479 VanDerWaalsContact C-N 3.25Å; L477-R479 PolarHBondContact O-N 3.17Å; R479-F482 PolarHBondContact O-N 2.88Å; R479-R483 VanDerWaalsContact NH2-NH2 3.13Å; R479-R483 PolarHBondContact O-N 3.1Å; R479-R483 VanDerWaalsContact O-N 3.1Å |
| 480 | S | 87.6 | Confident | 88 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.3 | -48 | 174.3 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | Y382 E385 S476 L477 F482 R483 L484 | Y382-S480 PolarHBondContact O-OG 2.97Å; E385-S480 WeakPolarHBondContact CB-OG 3.25Å; S476-S480 PolarHBondContact O-N 3.44Å; S476-S480 VanDerWaalsContact O-N 3.11Å; L477-S480 PolarHBondContact O-N 2.85Å; S480-F482 VanDerWaalsContact C-N 3.33Å; S480-F482 PolarHBondContact O-N 3.32Å; S480-R483 PolarHBondContact O-N 2.82Å; S480-R483 VanDerWaalsContact O-N 3.16Å; S480-L484 PolarHBondContact O-N 3.18Å |
| 481 | A | 87.1 | Confident | 88.3 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -37.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L477 L478 H485 L515 T519 | L477-A481 PolarHBondContact O-N 3.15Å; L478-A481 PolarHBondContact O-N 3.42Å; A481-H485 WeakPolarHBondContact O-CB 3.23Å; A481-H485 PolarHBondContact O-N 3.37Å; A481-L515 HydrophobicContact CB-CD1 4.24Å; A481-L515 HydrophobicContact CB-CD2 4.39Å; A481-L515 HydrophobicContact CB-CG 4.02Å; A481-L515 WeakPolarHBondContact O-CD2 3.49Å; A481-T519 HydrophobicContact CB-CG2 3.72Å |
| 482 | F | 89.2 | Confident | 88.4 | Confident | 47 Ų | 47 | 33.1 Ų | 33.1 | 21% | 0.206 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | 174.9 | -176.1 | -91.7 | 0 | 0 | 0 | 112.3 | R40 R43 M47 L478 R479 S480 S486 | R40-F482 HydrophobicContact CG-CZ 4.25Å; R43-F482 HydrophobicContact CB-CE2 4.27Å; R43-F482 HydrophobicContact CG-CD2 3.81Å; R43-F482 HydrophobicContact CG-CE2 3.84Å; M47-F482 HydrophobicContact CE-CB 4.11Å; M47-F482 HydrophobicContact CE-CD2 4.4Å; L478-F482 PolarHBondContact O-N 2.83Å; R479-F482 PolarHBondContact O-N 2.88Å; S480-F482 VanDerWaalsContact C-N 3.33Å; S480-F482 PolarHBondContact O-N 3.32Å; F482-S486 WeakPolarHBondContact O-CB 3.26Å; F482-S486 PolarHBondContact O-N 3.25Å; F482-S486 PolarHBondContact O-OG 3.28Å |
| 483 | R | 89.9 | Confident | 88.5 | Confident | 83 Ų | 83 | 30.4 Ų | 30.4 | 31% | 0.313 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -68.1 | -45.6 | -178.5 | -78.5 | 176.8 | 168.7 | 167.1 | -5.9 | 112.4 | E385 I386 R479 S480 H485 S486 R487 | E385-R483 WeakPolarHBondContact O-CD 3.2Å; E385-R483 PolarHBondContact O-NH1 3.29Å; I386-R483 PolarHBondContact O-NH1 3.03Å; R479-R483 VanDerWaalsContact NH2-NH2 3.13Å; R479-R483 PolarHBondContact O-N 3.1Å; R479-R483 VanDerWaalsContact O-N 3.1Å; S480-R483 PolarHBondContact O-N 2.82Å; S480-R483 VanDerWaalsContact O-N 3.16Å; R483-H485 PolarHBondContact O-N 3.1Å; R483-S486 PolarHBondContact O-N 3.5Å; R483-R487 VanDerWaalsContact O-CB 3.28Å; R483-R487 WeakPolarHBondContact O-CB 3.42Å; R483-R487 PolarHBondContact O-N 3.06Å |
| 484 | L | 90 | Very high | 88.9 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.3 | -46.6 | 176.6 | -79.6 | 168.1 | 0 | 0 | 0 | 111.5 | Y382 E385 S480 R487 M488 L515 V613 I616 I617 | Y382-L484 HydrophobicContact CD2-CD1 3.41Å; Y382-L484 VanDerWaalsContact CD2-CD1 3.41Å; Y382-L484 HydrophobicContact CE2-CD1 3.89Å; Y382-L484 HydrophobicContact CG-CD1 4.46Å; E385-L484 HydrophobicContact CB-CG 4.27Å; E385-L484 HydrophobicContact CG-CD1 4.49Å; E385-L484 HydrophobicContact CG-CD2 3.83Å; E385-L484 HydrophobicContact CG-CG 3.91Å; S480-L484 PolarHBondContact O-N 3.18Å; L484-R487 PolarHBondContact O-N 2.99Å; L484-M488 VanDerWaalsContact O-CB 3.24Å; L484-M488 WeakPolarHBondContact O-CB 3.36Å; L484-M488 PolarHBondContact O-N 3.4Å; L484-L515 HydrophobicContact CB-CD2 4.11Å; L484-L515 HydrophobicContact CD1-CD1 4.32Å; L484-V613 HydrophobicContact CD1-CG1 4.38Å; L484-I616 HydrophobicContact CB-CG2 4.26Å; L484-I617 HydrophobicContact CD2-CG1 3.99Å |
| 485 | H | 90.2 | Very high | 89.2 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 1% | 0.014 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.4 | -48.3 | 175.9 | 178.1 | -93.2 | 0 | 0 | 0 | 112 | R12 A481 R483 R487 M488 F489 C512 L515 | R12-H485 PolarHBondContact NH1-NE2 3.42Å; A481-H485 WeakPolarHBondContact O-CB 3.23Å; A481-H485 PolarHBondContact O-N 3.37Å; R483-H485 PolarHBondContact O-N 3.1Å; H485-R487 VanDerWaalsContact C-N 3.34Å; H485-R487 PolarHBondContact O-N 3.33Å; H485-M488 WeakPolarHBondContact O-CE 3.37Å; H485-M488 PolarHBondContact O-N 3.34Å; H485-F489 WeakPolarHBondContact O-CB 3.43Å; H485-F489 PolarHBondContact O-N 3.16Å; H485-C512 VanDerWaalsContact CD2-SG 3.55Å; H485-L515 HydrophobicContact CB-CD2 4.14Å |
| 486 | S | 89.8 | Confident | 89.2 | Confident | 37 Ų | 37 | 29 Ų | 29 | 26% | 0.259 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -62.1 | -41.8 | 179.8 | -57 | 0 | 0 | 0 | 0 | 112 | F482 R483 H490 | F482-S486 WeakPolarHBondContact O-CB 3.26Å; F482-S486 PolarHBondContact O-N 3.25Å; F482-S486 PolarHBondContact O-OG 3.28Å; R483-S486 PolarHBondContact O-N 3.5Å; S486-H490 WeakPolarHBondContact O-CB 3.47Å; S486-H490 PolarHBondContact O-N 3.06Å |
| 487 | R | 90.4 | Very high | 89.1 | Confident | 114 Ų | 114 | 28.7 Ų | 28.7 | 43% | 0.43 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -66.1 | -47.3 | 178.2 | -178.3 | 179.5 | 176.3 | 167.4 | 3.4 | 111.3 | E385 R483 L484 H485 H490 H491 | E385-R487 IonicContact OE1-NH1 2.77Å; E385-R487 PolarHBondContact OE1-NH1 3.47Å; E385-R487 VanDerWaalsContact OE1-NH1 3.13Å; R483-R487 VanDerWaalsContact O-CB 3.28Å; R483-R487 WeakPolarHBondContact O-CB 3.42Å; R483-R487 PolarHBondContact O-N 3.06Å; L484-R487 PolarHBondContact O-N 2.99Å; H485-R487 VanDerWaalsContact C-N 3.34Å; H485-R487 PolarHBondContact O-N 3.33Å; R487-H490 PolarHBondContact O-N 2.83Å; R487-H491 PolarHBondContact O-N 3.5Å; R487-H491 VanDerWaalsContact O-N 3.1Å; R487-H491 PolarHBondContact O-ND1 3.01Å |
| 488 | M | 90.5 | Very high | 89 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.1 | -48.9 | 177.9 | 172.5 | -84 | -41.4 | 0 | 0 | 110.7 | L484 H485 H490 H491 V492 I508 C512 I616 Y619 | L484-M488 VanDerWaalsContact O-CB 3.24Å; L484-M488 WeakPolarHBondContact O-CB 3.36Å; L484-M488 PolarHBondContact O-N 3.4Å; H485-M488 WeakPolarHBondContact O-CE 3.37Å; H485-M488 PolarHBondContact O-N 3.34Å; M488-H490 VanDerWaalsContact C-N 3.32Å; M488-H490 PolarHBondContact O-N 2.95Å; M488-H491 PolarHBondContact O-N 3.25Å; M488-H491 VanDerWaalsContact O-N 3.08Å; M488-V492 HydrophobicContact CG-CG2 4.41Å; M488-V492 WeakPolarHBondContact O-CG2 3.42Å; M488-V492 PolarHBondContact O-N 3.26Å; M488-V492 HydrophobicContact SD-CG2 3.94Å; M488-I508 HydrophobicContact SD-CG2 4.05Å; M488-C512 WeakPolarHBondContact CE-SG 3.45Å; M488-I616 HydrophobicContact CB-CG2 3.77Å; M488-I616 HydrophobicContact CG-CG2 4Å; M488-Y619 HydrophobicContact CG-CD2 4.39Å |
| 489 | F | 90.4 | Very high | 89 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 2% | 0.022 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 179.1 | -168.3 | -100.2 | 0 | 0 | 0 | 112.4 | M16 I19 M36 V39 H485 H491 V492 I493 | M16-F489 HydrophobicContact CE-CD2 3.85Å; M16-F489 HydrophobicContact CE-CE2 4.06Å; M16-F489 HydrophobicContact CG-CD2 4.48Å; M16-F489 HydrophobicContact CG-CE2 3.99Å; M16-F489 HydrophobicContact SD-CD2 4.35Å; M16-F489 HydrophobicContact SD-CE2 4.43Å; I19-F489 HydrophobicContact CD1-CZ 4.31Å; I19-F489 HydrophobicContact CG2-CZ 4.17Å; M36-F489 HydrophobicContact CB-CE1 4.46Å; M36-F489 HydrophobicContact CG-CD1 4.39Å; V39-F489 HydrophobicContact CB-CD1 4.25Å; V39-F489 HydrophobicContact CB-CE1 3.89Å; V39-F489 HydrophobicContact CB-CZ 4.08Å; V39-F489 HydrophobicContact CG1-CD1 4.13Å; V39-F489 HydrophobicContact CG1-CD2 4.27Å; V39-F489 HydrophobicContact CG1-CE1 4.16Å; V39-F489 HydrophobicContact CG1-CE2 4.28Å; V39-F489 HydrophobicContact CG1-CG 4.19Å; V39-F489 HydrophobicContact CG1-CZ 4.22Å; V39-F489 HydrophobicContact CG2-CE1 3.89Å; V39-F489 HydrophobicContact CG2-CE2 4.19Å; V39-F489 HydrophobicContact CG2-CZ 3.61Å; H485-F489 WeakPolarHBondContact O-CB 3.43Å; H485-F489 PolarHBondContact O-N 3.16Å; F489-H491 VanDerWaalsContact C-N 3.31Å; F489-H491 PolarHBondContact O-N 2.82Å; F489-V492 PolarHBondContact O-N 2.86Å; F489-I493 HydrophobicContact CE1-CD1 4.1Å; F489-I493 HydrophobicContact CZ-CD1 4.4Å; F489-I493 WeakPolarHBondContact O-CG2 3.49Å; F489-I493 PolarHBondContact O-N 2.82Å |
| 490 | H | 90.8 | Very high | 88.7 | Confident | 65 Ų | 65 | 25 Ų | 25 | 30% | 0.301 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -61.4 | -35.5 | 174.9 | 178.2 | 78.6 | 0 | 0 | 0 | 113.2 | M36 S486 R487 M488 I493 R494 | M36-H490 HydrophobicContact SD-CB 4.21Å; M36-H490 PolarHBondContact SD-ND1 3.33Å; S486-H490 WeakPolarHBondContact O-CB 3.47Å; S486-H490 PolarHBondContact O-N 3.06Å; R487-H490 PolarHBondContact O-N 2.83Å; M488-H490 VanDerWaalsContact C-N 3.32Å; M488-H490 PolarHBondContact O-N 2.95Å; H490-I493 WeakPolarHBondContact O-CG2 3.36Å; H490-R494 WeakPolarHBondContact O-CB 3.29Å; H490-R494 WeakPolarHBondContact O-CG 3.46Å; H490-R494 PolarHBondContact O-N 3.26Å |
| 491 | H | 91.4 | Very high | 87.8 | Confident | 24 Ų | 24 | 27.9 Ų | 27.9 | 11% | 0.111 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -78.4 | -38.7 | 176.7 | -71.1 | 69.6 | 0 | 0 | 0 | 111.6 | R487 M488 F489 R494 A495 Y619 G620 K624 | R487-H491 PolarHBondContact O-N 3.5Å; R487-H491 VanDerWaalsContact O-N 3.1Å; R487-H491 PolarHBondContact O-ND1 3.01Å; M488-H491 PolarHBondContact O-N 3.25Å; M488-H491 VanDerWaalsContact O-N 3.08Å; F489-H491 VanDerWaalsContact C-N 3.31Å; F489-H491 PolarHBondContact O-N 2.82Å; H491-R494 CarbonylContact O-C 3.57Å; H491-R494 PolarHBondContact O-N 2.87Å; H491-A495 PolarHBondContact O-N 2.92Å; H491-Y619 VanDerWaalsContact CB-O 3.27Å; H491-Y619 WeakPolarHBondContact CB-O 3.4Å; H491-G620 PolarHBondContact CD2-O 3.13Å; H491-G620 PolarHBondContact NE2-O 3.43Å; H491-K624 WeakPolarHBondContact CD2-CE 3.28Å; H491-K624 WeakPolarHBondContact NE2-CE 3.44Å; H491-K624 PolarHBondContact NE2-NZ 3.3Å |
| 492 | V | 91.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -48.7 | 176.2 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | L20 M488 F489 R494 A495 F499 F500 I508 L622 | L20-V492 HydrophobicContact CD2-CG1 3.73Å; M488-V492 HydrophobicContact CG-CG2 4.41Å; M488-V492 WeakPolarHBondContact O-CG2 3.42Å; M488-V492 PolarHBondContact O-N 3.26Å; M488-V492 HydrophobicContact SD-CG2 3.94Å; F489-V492 PolarHBondContact O-N 2.86Å; V492-R494 PolarHBondContact O-N 3Å; V492-A495 VanDerWaalsContact O-CB 3.3Å; V492-A495 WeakPolarHBondContact O-CB 3.46Å; V492-A495 PolarHBondContact O-N 3.14Å; V492-A495 VanDerWaalsContact O-N 3.07Å; V492-F499 HydrophobicContact CG1-CE1 4.08Å; V492-F499 HydrophobicContact CG2-CE1 4.44Å; V492-F500 HydrophobicContact CG1-CE1 4.1Å; V492-F500 HydrophobicContact CG1-CZ 4.29Å; V492-F500 WeakPolarHBondContact O-CZ 3.3Å; V492-I508 HydrophobicContact CG1-CD1 4.36Å; V492-L622 HydrophobicContact CG2-CD1 4.08Å |
| 493 | I | 90.9 | Very high | 86 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 6% | 0.056 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.2 | -26.2 | 179.5 | -157.6 | 164.3 | 0 | 0 | 0 | 112.7 | I19 K27 E32 F35 F489 H490 | I19-I493 HydrophobicContact CG2-CD1 4.47Å; K27-I493 PolarHBondContact NZ-O 3.24Å; E32-I493 HydrophobicContact CB-CD1 4.05Å; E32-I493 HydrophobicContact CB-CG1 4.06Å; E32-I493 HydrophobicContact CG-CG1 4.08Å; E32-I493 WeakPolarHBondContact O-CD1 3.5Å; F35-I493 HydrophobicContact CB-CD1 4.43Å; F489-I493 HydrophobicContact CE1-CD1 4.1Å; F489-I493 HydrophobicContact CZ-CD1 4.4Å; F489-I493 WeakPolarHBondContact O-CG2 3.49Å; F489-I493 PolarHBondContact O-N 2.82Å; H490-I493 WeakPolarHBondContact O-CG2 3.36Å |
| 494 | R | 91.5 | Very high | 84.9 | Confident | 11 Ų | 11 | 34.3 Ų | 34.3 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -89.5 | -5.4 | 176.1 | -71 | -76.3 | -73.4 | 135.9 | 1 | 113.8 | H490 H491 V492 K624 E625 A626 E627 L628 | H490-R494 WeakPolarHBondContact O-CB 3.29Å; H490-R494 WeakPolarHBondContact O-CG 3.46Å; H490-R494 PolarHBondContact O-N 3.26Å; H491-R494 CarbonylContact O-C 3.57Å; H491-R494 PolarHBondContact O-N 2.87Å; V492-R494 PolarHBondContact O-N 3Å; R494-K624 HydrophobicContact CB-CB 4.44Å; R494-K624 HydrophobicContact CB-CG 4.28Å; R494-E625 PolarHBondContact NH2-O 3.19Å; R494-E625 PolarHBondContact O-N 2.8Å; R494-A626 PolarHBondContact NH1-O 3.32Å; R494-A626 VanDerWaalsContact NH1-O 3.1Å; R494-A626 PolarHBondContact NH2-O 3.49Å; R494-E627 IonicContact NH2-OE2 3.14Å; R494-L628 VanDerWaalsContact CZ-CD2 3.48Å; R494-L628 VanDerWaalsContact CZ-CG 3.4Å |
| 495 | A | 90.7 | Very high | 84 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -70.4 | 153.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | K27 H491 V492 F499 L622 E625 | K27-A495 VanDerWaalsContact CE-O 3.28Å; K27-A495 WeakPolarHBondContact CE-O 3.34Å; K27-A495 PolarHBondContact NZ-O 2.78Å; H491-A495 PolarHBondContact O-N 2.92Å; V492-A495 VanDerWaalsContact O-CB 3.3Å; V492-A495 WeakPolarHBondContact O-CB 3.46Å; V492-A495 PolarHBondContact O-N 3.14Å; V492-A495 VanDerWaalsContact O-N 3.07Å; A495-F499 HydrophobicContact CB-CB 3.94Å; A495-F499 HydrophobicContact CB-CD1 3.98Å; A495-F499 HydrophobicContact CB-CG 3.98Å; A495-L622 HydrophobicContact CB-CD1 4.33Å; A495-E625 VanDerWaalsContact O-OE1 3.12Å |
| 496 | S | 87.1 | Confident | 83 | Confident | 38 Ų | 38 | 37.6 Ų | 37.6 | 27% | 0.266 | 20% | 0.197 | S | C | . | . | trans | -60 | 153.3 | 175.9 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | V498 F499 F500 E625 L694 | S496-V498 PolarHBondContact O-N 3.05Å; S496-V498 VanDerWaalsContact O-N 3.1Å; S496-F499 VanDerWaalsContact O-CB 3.27Å; S496-F499 WeakPolarHBondContact O-CB 3.34Å; S496-F499 PolarHBondContact O-N 3.47Å; S496-F500 WeakPolarHBondContact O-CD2 3.47Å; S496-E625 WeakPolarHBondContact CA-OE1 3.43Å; S496-L694 PolarHBondContact OG-O 3.28Å | ||
| 497 | I | 85.4 | Confident | 82.2 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.5 | -31.6 | 177 | -165.9 | 59.6 | 0 | 0 | 0 | 113.2 | A23 R24 F499 F500 D501 L694 V695 | A23-I497 HydrophobicContact CB-CD1 4.43Å; R24-I497 HydrophobicContact CB-CD1 3.82Å; R24-I497 HydrophobicContact CG-CD1 4.42Å; I497-F499 PolarHBondContact O-N 2.75Å; I497-F499 VanDerWaalsContact O-N 3.16Å; I497-F500 HydrophobicContact CD1-CD2 4.3Å; I497-F500 PolarHBondContact O-N 3.01Å; I497-D501 PolarHBondContact O-N 3.03Å; I497-L694 HydrophobicContact CG2-CB 4.26Å; I497-V695 HydrophobicContact CG2-CG2 3.91Å |
| 498 | V | 81.9 | Confident | 81.5 | Confident | 22 Ų | 22 | 33.4 Ų | 33.4 | 13% | 0.133 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.9 | -29.2 | 177.3 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | S496 R502 Y653 V695 | S496-V498 PolarHBondContact O-N 3.05Å; S496-V498 VanDerWaalsContact O-N 3.1Å; V498-R502 HydrophobicContact CG1-CG 4.46Å; V498-R502 VanDerWaalsContact O-CG 3.32Å; V498-R502 WeakPolarHBondContact O-CG 3.33Å; V498-R502 PolarHBondContact O-N 2.89Å; V498-Y653 HydrophobicContact CG2-CD1 3.96Å; V498-Y653 WeakPolarHBondContact CG2-O 3.28Å; V498-V695 HydrophobicContact CG2-CG2 3.99Å |
| 499 | F | 84.6 | Confident | 80.7 | Confident | 24 Ų | 24 | 34.3 Ų | 34.3 | 11% | 0.105 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | 175.7 | 171.4 | -97.8 | 0 | 0 | 0 | 111.8 | V492 A495 S496 I497 R502 N503 I508 Y619 L622 | V492-F499 HydrophobicContact CG1-CE1 4.08Å; V492-F499 HydrophobicContact CG2-CE1 4.44Å; A495-F499 HydrophobicContact CB-CB 3.94Å; A495-F499 HydrophobicContact CB-CD1 3.98Å; A495-F499 HydrophobicContact CB-CG 3.98Å; S496-F499 VanDerWaalsContact O-CB 3.27Å; S496-F499 WeakPolarHBondContact O-CB 3.34Å; S496-F499 PolarHBondContact O-N 3.47Å; I497-F499 PolarHBondContact O-N 2.75Å; I497-F499 VanDerWaalsContact O-N 3.16Å; F499-R502 PolarHBondContact O-N 3.42Å; F499-N503 VanDerWaalsContact CD2-ND2 3.27Å; F499-N503 WeakPolarHBondContact CD2-ND2 3.45Å; F499-N503 HydrophobicContact CE2-CB 4.22Å; F499-N503 VanDerWaalsContact CE2-ND2 3.33Å; F499-N503 WeakPolarHBondContact CE2-ND2 3.38Å; F499-N503 HydrophobicContact CZ-CB 4.19Å; F499-N503 WeakPolarHBondContact O-CB 3.46Å; F499-N503 PolarHBondContact O-N 3.29Å; F499-N503 PolarHBondContact O-ND2 3.48Å; F499-I508 HydrophobicContact CE1-CD1 3.87Å; F499-I508 HydrophobicContact CZ-CD1 3.97Å; F499-Y619 HydrophobicContact CE2-CD1 4.12Å; F499-Y619 AromaticContact CE2-CE1 3.94Å; F499-Y619 HydrophobicContact CE2-CE1 3.94Å; F499-Y619 AromaticContact CZ-CD1 3.98Å; F499-Y619 HydrophobicContact CZ-CD1 3.98Å; F499-Y619 AromaticContact CZ-CE1 3.85Å; F499-Y619 HydrophobicContact CZ-CE1 3.85Å; F499-L622 HydrophobicContact CD1-CD1 4.48Å; F499-L622 HydrophobicContact CD2-CD1 3.99Å; F499-L622 HydrophobicContact CD2-CD2 3.77Å; F499-L622 HydrophobicContact CE1-CD1 4.08Å; F499-L622 HydrophobicContact CE2-CD1 3.54Å; F499-L622 HydrophobicContact CE2-CD2 3.64Å; F499-L622 HydrophobicContact CE2-CG 4.25Å; F499-L622 HydrophobicContact CG-CD1 4.45Å; F499-L622 HydrophobicContact CZ-CD1 3.59Å |
| 500 | F | 81.4 | Confident | 80.1 | Confident | 23 Ų | 23 | 35.4 Ų | 35.4 | 10% | 0.101 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.2 | -33.3 | -178.1 | -61.2 | -92.3 | 0 | 0 | 0 | 111.9 | L20 A23 V492 S496 I497 R502 | L20-F500 HydrophobicContact CD2-CD1 4.26Å; L20-F500 HydrophobicContact CD2-CE1 3.59Å; A23-F500 HydrophobicContact CB-CD1 3.74Å; A23-F500 HydrophobicContact CB-CD2 4.15Å; A23-F500 HydrophobicContact CB-CE1 3.71Å; A23-F500 HydrophobicContact CB-CE2 4.13Å; A23-F500 HydrophobicContact CB-CG 3.95Å; A23-F500 HydrophobicContact CB-CZ 3.9Å; V492-F500 HydrophobicContact CG1-CE1 4.1Å; V492-F500 HydrophobicContact CG1-CZ 4.29Å; V492-F500 WeakPolarHBondContact O-CZ 3.3Å; S496-F500 WeakPolarHBondContact O-CD2 3.47Å; I497-F500 HydrophobicContact CD1-CD2 4.3Å; I497-F500 PolarHBondContact O-N 3.01Å; F500-R502 VanDerWaalsContact C-N 3.3Å; F500-R502 PolarHBondContact O-N 3.49Å |
| 501 | D | 69.4 | Low | 79.7 | Confident | 61 Ų | 61 | 33.3 Ų | 33.3 | 33% | 0.326 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -71.5 | -26.4 | 176.2 | -64.9 | -30.5 | 0 | 0 | 0 | 112.3 | I497 | I497-D501 PolarHBondContact O-N 3.03Å |
| 502 | R | 69.2 | Low | 79 | Confident | 156 Ų | 156 | 32.2 Ų | 32.2 | 59% | 0.589 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -93.4 | -30.7 | -178 | -71.4 | 179.6 | -179.7 | -161.2 | -4.4 | 114.7 | V498 F499 F500 S654 | V498-R502 HydrophobicContact CG1-CG 4.46Å; V498-R502 VanDerWaalsContact O-CG 3.32Å; V498-R502 WeakPolarHBondContact O-CG 3.33Å; V498-R502 PolarHBondContact O-N 2.89Å; F499-R502 PolarHBondContact O-N 3.42Å; F500-R502 VanDerWaalsContact C-N 3.3Å; F500-R502 PolarHBondContact O-N 3.49Å; R502-S654 PolarHBondContact NH2-OG 3.34Å |
| 503 | N | 70.4 | Confident | 78.3 | Confident | 50 Ų | 50 | 35.5 Ų | 35.5 | 27% | 0.267 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -108.6 | 117.8 | -172.9 | -67.9 | -94.4 | 0 | 0 | 0 | 110.3 | F499 I505 | F499-N503 VanDerWaalsContact CD2-ND2 3.27Å; F499-N503 WeakPolarHBondContact CD2-ND2 3.45Å; F499-N503 HydrophobicContact CE2-CB 4.22Å; F499-N503 VanDerWaalsContact CE2-ND2 3.33Å; F499-N503 WeakPolarHBondContact CE2-ND2 3.38Å; F499-N503 HydrophobicContact CZ-CB 4.19Å; F499-N503 WeakPolarHBondContact O-CB 3.46Å; F499-N503 PolarHBondContact O-N 3.29Å; F499-N503 PolarHBondContact O-ND2 3.48Å; N503-I505 PolarHBondContact O-N 3.31Å |
| 504 | P | 66.7 | Low | 77.6 | Confident | 61 Ų | 61 | 39.1 Ų | 39.1 | 40% | 0.396 | 22% | 0.216 | S | C | . | . | trans | -61.8 | 127.3 | 176.3 | 24.1 | -31.1 | 0 | 0 | 0 | 110.3 | G506 N507 | P504-G506 PolarHBondContact O-N 2.86Å; P504-G506 VanDerWaalsContact O-N 3.1Å; P504-N507 PolarHBondContact O-N 3.38Å | ||
| 505 | I | 70.8 | Confident | 77.1 | Confident | 25 Ų | 25 | 38.6 Ų | 38.6 | 13% | 0.128 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.1 | -30.2 | -175.3 | -68 | 165.5 | 0 | 0 | 0 | 112 | L20 N21 N503 N507 I508 V509 | L20-I505 HydrophobicContact CB-CB 4.47Å; L20-I505 HydrophobicContact CB-CD1 3.83Å; L20-I505 HydrophobicContact CB-CG1 3.92Å; L20-I505 HydrophobicContact CB-CG2 3.73Å; L20-I505 HydrophobicContact CD1-CG2 3.63Å; L20-I505 HydrophobicContact CG-CG2 4.31Å; N21-I505 WeakPolarHBondContact OD1-CD1 3.48Å; N503-I505 PolarHBondContact O-N 3.31Å; I505-N507 VanDerWaalsContact C-N 3.3Å; I505-N507 PolarHBondContact O-N 2.9Å; I505-I508 PolarHBondContact O-N 3.49Å; I505-V509 HydrophobicContact CG2-CG2 4.49Å; I505-V509 PolarHBondContact O-N 3.03Å |
| 506 | G | 68.9 | Low | 76.2 | Confident | 52 Ų | 52 | 39 Ų | 39 | 54% | 0.536 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.1 | -36 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P504 V509 G510 | P504-G506 PolarHBondContact O-N 2.86Å; P504-G506 VanDerWaalsContact O-N 3.1Å; G506-V509 PolarHBondContact O-N 3.45Å; G506-G510 PolarHBondContact O-N 3.14Å |
| 507 | N | 72.3 | Confident | 75.5 | Confident | 59 Ų | 59 | 41.8 Ų | 41.8 | 32% | 0.316 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.6 | -41.7 | -176.9 | -65.1 | 0.6 | 0 | 0 | 0 | 111.2 | E368 P504 I505 V509 G510 Y511 | E368-N507 PolarHBondContact OE1-ND2 3.38Å; P504-N507 PolarHBondContact O-N 3.38Å; I505-N507 VanDerWaalsContact C-N 3.3Å; I505-N507 PolarHBondContact O-N 2.9Å; N507-V509 VanDerWaalsContact C-N 3.29Å; N507-V509 PolarHBondContact O-N 2.98Å; N507-G510 PolarHBondContact O-N 3.5Å; N507-G510 VanDerWaalsContact O-N 3.16Å; N507-Y511 HydrophobicContact CB-CE2 4.23Å; N507-Y511 WeakPolarHBondContact O-CD2 3.4Å; N507-Y511 PolarHBondContact O-N 3.13Å |
| 508 | I | 75.2 | Confident | 75 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 176.8 | -55.8 | 177.7 | 0 | 0 | 0 | 110.4 | M488 V492 F499 I505 C512 Y619 | M488-I508 HydrophobicContact SD-CG2 4.05Å; V492-I508 HydrophobicContact CG1-CD1 4.36Å; F499-I508 HydrophobicContact CE1-CD1 3.87Å; F499-I508 HydrophobicContact CZ-CD1 3.97Å; I505-I508 PolarHBondContact O-N 3.49Å; I508-C512 PolarHBondContact O-N 3.25Å; I508-C512 PolarHBondContact O-SG 3.05Å; I508-Y619 HydrophobicContact CB-CE2 4.42Å; I508-Y619 HydrophobicContact CG1-CD2 4.43Å; I508-Y619 HydrophobicContact CG1-CE2 3.74Å |
| 509 | V | 74.3 | Confident | 74.4 | Confident | 22 Ų | 22 | 40.3 Ų | 40.3 | 13% | 0.133 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 177.1 | 172.9 | 0 | 0 | 0 | 0 | 111 | I13 I505 G506 N507 C512 L513 | I13-V509 HydrophobicContact CB-CG1 4.32Å; I13-V509 HydrophobicContact CD1-CG1 4.33Å; I13-V509 HydrophobicContact CG1-CG1 4.04Å; I13-V509 HydrophobicContact CG2-CG1 3.46Å; I13-V509 VanDerWaalsContact CG2-CG1 3.46Å; I505-V509 HydrophobicContact CG2-CG2 4.49Å; I505-V509 PolarHBondContact O-N 3.03Å; G506-V509 PolarHBondContact O-N 3.45Å; N507-V509 VanDerWaalsContact C-N 3.29Å; N507-V509 PolarHBondContact O-N 2.98Å; V509-C512 WeakPolarHBondContact O-CB 3.26Å; V509-C512 PolarHBondContact O-N 3.19Å; V509-L513 PolarHBondContact O-N 3.39Å |
| 510 | G | 77.9 | Confident | 73.6 | Confident | 27 Ų | 27 | 40.3 Ų | 40.3 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59 | -46.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G506 N507 C512 L513 H514 | G506-G510 PolarHBondContact O-N 3.14Å; N507-G510 PolarHBondContact O-N 3.5Å; N507-G510 VanDerWaalsContact O-N 3.16Å; G510-C512 VanDerWaalsContact C-N 3.3Å; G510-C512 PolarHBondContact O-N 3.08Å; G510-L513 WeakPolarHBondContact O-CB 3.47Å; G510-L513 PolarHBondContact O-N 3.14Å; G510-L513 VanDerWaalsContact O-N 3.1Å; G510-H514 PolarHBondContact O-N 3.06Å; G510-H514 VanDerWaalsContact O-N 3.15Å |
| 511 | Y | 82 | Confident | 72.8 | Confident | 22 Ų | 22 | 40 Ų | 40 | 9% | 0.086 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63 | -36.9 | 179.1 | -55.9 | -43.2 | 0 | 0 | 0 | 112.6 | E368 N507 L513 H514 L515 R615 Y619 | E368-Y511 VanDerWaalsContact CD-OH 3.25Å; E368-Y511 PolarHBondContact OE1-OH 2.71Å; E368-Y511 PolarHBondContact OE2-OH 3.1Å; E368-Y511 VanDerWaalsContact OE2-OH 3.14Å; N507-Y511 HydrophobicContact CB-CE2 4.23Å; N507-Y511 WeakPolarHBondContact O-CD2 3.4Å; N507-Y511 PolarHBondContact O-N 3.13Å; Y511-L513 PolarHBondContact O-N 3.35Å; Y511-H514 PolarHBondContact O-N 3.07Å; Y511-L515 PolarHBondContact O-N 3.42Å; Y511-R615 HydrophobicContact CD1-CB 4.23Å; Y511-R615 HydrophobicContact CD1-CG 4.47Å; Y511-R615 HydrophobicContact CD2-CB 3.74Å; Y511-R615 HydrophobicContact CE1-CB 4.07Å; Y511-R615 HydrophobicContact CE1-CG 3.88Å; Y511-R615 HydrophobicContact CE2-CB 3.53Å; Y511-R615 HydrophobicContact CE2-CG 3.9Å; Y511-R615 HydrophobicContact CG-CB 4.08Å; Y511-Y619 HydrophobicContact CD2-CD2 4.41Å; Y511-Y619 AromaticContact CD2-CE2 3.67Å; Y511-Y619 HydrophobicContact CD2-CE2 3.67Å; Y511-Y619 AromaticContact CE2-CE2 3.69Å; Y511-Y619 HydrophobicContact CE2-CE2 3.69Å |
| 512 | C | 77.1 | Confident | 72.6 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.2 | -34.4 | 176.3 | -66 | 0 | 0 | 0 | 0 | 112.6 | H485 M488 I508 V509 G510 S516 | H485-C512 VanDerWaalsContact CD2-SG 3.55Å; M488-C512 WeakPolarHBondContact CE-SG 3.45Å; I508-C512 PolarHBondContact O-N 3.25Å; I508-C512 PolarHBondContact O-SG 3.05Å; V509-C512 WeakPolarHBondContact O-CB 3.26Å; V509-C512 PolarHBondContact O-N 3.19Å; G510-C512 VanDerWaalsContact C-N 3.3Å; G510-C512 PolarHBondContact O-N 3.08Å; C512-S516 PolarHBondContact O-N 3.23Å; C512-S516 PolarHBondContact O-OG 3.44Å |
| 513 | L | 76 | Confident | 72.1 | Confident | 68 Ų | 68 | 30.2 Ų | 30.2 | 36% | 0.356 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.8 | -48.4 | 175.4 | -172 | 67.7 | 0 | 0 | 0 | 110.2 | V509 G510 Y511 L515 S516 F517 | V509-L513 PolarHBondContact O-N 3.39Å; G510-L513 WeakPolarHBondContact O-CB 3.47Å; G510-L513 PolarHBondContact O-N 3.14Å; G510-L513 VanDerWaalsContact O-N 3.1Å; Y511-L513 PolarHBondContact O-N 3.35Å; L513-L515 VanDerWaalsContact C-N 3.33Å; L513-L515 PolarHBondContact O-N 2.94Å; L513-S516 WeakPolarHBondContact O-CB 3.19Å; L513-S516 PolarHBondContact O-N 3.04Å; L513-F517 HydrophobicContact CD1-CD2 4.38Å; L513-F517 HydrophobicContact CD1-CE2 3.82Å; L513-F517 HydrophobicContact CD2-CE2 4.19Å; L513-F517 HydrophobicContact CG-CD2 3.98Å; L513-F517 HydrophobicContact CG-CE2 3.68Å; L513-F517 VanDerWaalsContact O-CD2 3.31Å; L513-F517 WeakPolarHBondContact O-CD2 3.28Å; L513-F517 PolarHBondContact O-N 2.7Å; L513-F517 VanDerWaalsContact O-N 3.13Å |
| 514 | H | 77.7 | Confident | 71.6 | Confident | 87 Ų | 87 | 29 Ų | 29 | 40% | 0.403 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.2 | -38.6 | 177.6 | -68.4 | -179.2 | 0 | 0 | 0 | 113.1 | G510 Y511 S516 F517 L518 S612 | G510-H514 PolarHBondContact O-N 3.06Å; G510-H514 VanDerWaalsContact O-N 3.15Å; Y511-H514 PolarHBondContact O-N 3.07Å; H514-S516 PolarHBondContact O-N 2.95Å; H514-F517 PolarHBondContact O-N 3.33Å; H514-F517 VanDerWaalsContact O-N 3.14Å; H514-L518 WeakPolarHBondContact O-CB 3.27Å; H514-L518 PolarHBondContact O-N 2.97Å; H514-S612 PolarHBondContact ND1-OG 3.03Å |
| 515 | L | 79.4 | Confident | 71.2 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.8 | -36.1 | 174.8 | -179.5 | 63.7 | 0 | 0 | 0 | 112.2 | Y382 A481 L484 H485 Y511 L513 L518 V613 I616 | Y382-L515 HydrophobicContact CE2-CD1 4.09Å; A481-L515 HydrophobicContact CB-CD1 4.24Å; A481-L515 HydrophobicContact CB-CD2 4.39Å; A481-L515 HydrophobicContact CB-CG 4.02Å; A481-L515 WeakPolarHBondContact O-CD2 3.49Å; L484-L515 HydrophobicContact CB-CD2 4.11Å; L484-L515 HydrophobicContact CD1-CD1 4.32Å; H485-L515 HydrophobicContact CB-CD2 4.14Å; Y511-L515 PolarHBondContact O-N 3.42Å; L513-L515 VanDerWaalsContact C-N 3.33Å; L513-L515 PolarHBondContact O-N 2.94Å; L515-L518 HydrophobicContact CD1-CD2 4.37Å; L515-V613 HydrophobicContact CD1-CG2 4.08Å; L515-I616 HydrophobicContact CB-CD1 3.66Å; L515-I616 HydrophobicContact CD1-CD1 4.46Å; L515-I616 HydrophobicContact CD2-CD1 3.8Å; L515-I616 HydrophobicContact CG-CD1 4.17Å |
| 516 | S | 73.3 | Confident | 70.6 | Confident | 10 Ų | 10 | 28.5 Ų | 28.5 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.2 | -42.5 | 177.2 | -54 | 0 | 0 | 0 | 0 | 110.5 | R43 C512 L513 H514 T519 F520 | R43-S516 PolarHBondContact NH1-OG 3.01Å; R43-S516 PolarHBondContact NH2-OG 3.34Å; R43-S516 VanDerWaalsContact NH2-OG 3.12Å; C512-S516 PolarHBondContact O-N 3.23Å; C512-S516 PolarHBondContact O-OG 3.44Å; L513-S516 WeakPolarHBondContact O-CB 3.19Å; L513-S516 PolarHBondContact O-N 3.04Å; H514-S516 PolarHBondContact O-N 2.95Å; S516-T519 PolarHBondContact O-N 3.3Å; S516-T519 PolarHBondContact O-OG1 3.38Å; S516-F520 VanDerWaalsContact O-CD2 3.27Å; S516-F520 WeakPolarHBondContact O-CD2 3.34Å; S516-F520 WeakPolarHBondContact O-CE2 3.47Å |
| 517 | F | 72.6 | Confident | 70 | Confident | 96 Ų | 96 | 26.8 Ų | 26.8 | 42% | 0.421 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -64.6 | -39.3 | 175.5 | -79.6 | -68.6 | 0 | 0 | 0 | 113.9 | L513 H514 T519 F520 S521 | L513-F517 HydrophobicContact CD1-CD2 4.38Å; L513-F517 HydrophobicContact CD1-CE2 3.82Å; L513-F517 HydrophobicContact CD2-CE2 4.19Å; L513-F517 HydrophobicContact CG-CD2 3.98Å; L513-F517 HydrophobicContact CG-CE2 3.68Å; L513-F517 VanDerWaalsContact O-CD2 3.31Å; L513-F517 WeakPolarHBondContact O-CD2 3.28Å; L513-F517 PolarHBondContact O-N 2.7Å; L513-F517 VanDerWaalsContact O-N 3.13Å; H514-F517 PolarHBondContact O-N 3.33Å; H514-F517 VanDerWaalsContact O-N 3.14Å; F517-T519 PolarHBondContact O-N 3.2Å; F517-T519 VanDerWaalsContact O-N 3.13Å; F517-F520 WeakPolarHBondContact O-CA 3.48Å; F517-F520 WeakPolarHBondContact O-CB 3.17Å; F517-F520 WeakPolarHBondContact O-CD2 3.45Å; F517-F520 PolarHBondContact O-N 2.71Å; F517-S521 PolarHBondContact O-N 2.88Å |
| 518 | L | 74.4 | Confident | 69 | Low | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -54.2 | -36.9 | 178.3 | 172 | 72.9 | 0 | 0 | 0 | 112.5 | Y382 H514 L515 F520 S521 W522 M609 M610 V613 | Y382-L518 HydrophobicContact CD2-CD2 4.34Å; Y382-L518 HydrophobicContact CE1-CD2 4.39Å; Y382-L518 HydrophobicContact CE2-CD2 3.72Å; H514-L518 WeakPolarHBondContact O-CB 3.27Å; H514-L518 PolarHBondContact O-N 2.97Å; L515-L518 HydrophobicContact CD1-CD2 4.37Å; L518-F520 PolarHBondContact O-N 3.04Å; L518-S521 PolarHBondContact O-N 2.88Å; L518-S521 VanDerWaalsContact O-N 3.15Å; L518-W522 HydrophobicContact CD1-CE3 4.39Å; L518-W522 WeakPolarHBondContact O-CB 3.39Å; L518-W522 PolarHBondContact O-N 3.28Å; L518-M609 HydrophobicContact CB-CB 4.41Å; L518-M609 HydrophobicContact CD1-CB 3.69Å; L518-M609 HydrophobicContact CD1-SD 4.48Å; L518-M610 HydrophobicContact CD1-CE 3.45Å; L518-M610 VanDerWaalsContact CD1-CE 3.45Å; L518-M610 HydrophobicContact CD2-CE 3.19Å; L518-M610 HydrophobicContact CG-CE 3.86Å; L518-V613 HydrophobicContact CD2-CG2 3.33Å |
| 519 | T | 69.5 | Low | 67.9 | Low | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.5 | -35.3 | 178.7 | 67.8 | 0 | 0 | 0 | 0 | 110.9 | R474 L478 A481 S516 F517 | R474-T519 VanDerWaalsContact NH1-C 3.32Å; R474-T519 PolarHBondContact NH1-O 3.12Å; L478-T519 HydrophobicContact CD2-CG2 4.23Å; A481-T519 HydrophobicContact CB-CG2 3.72Å; S516-T519 PolarHBondContact O-N 3.3Å; S516-T519 PolarHBondContact O-OG1 3.38Å; F517-T519 PolarHBondContact O-N 3.2Å; F517-T519 VanDerWaalsContact O-N 3.13Å |
| 520 | F | 68 | Low | 66.8 | Low | 24 Ų | 24 | 25.7 Ų | 25.7 | 11% | 0.105 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.7 | -53.9 | 172.9 | -60.5 | -84.4 | 0 | 0 | 0 | 112.5 | W2 L50 H53 Q57 R474 S516 F517 L518 N523 Y524 | W2-F520 HydrophobicContact CH2-CE1 4.24Å; W2-F520 HydrophobicContact CH2-CE2 4.5Å; W2-F520 HydrophobicContact CH2-CZ 4Å; L50-F520 HydrophobicContact CD2-CE2 4.11Å; L50-F520 HydrophobicContact CD2-CZ 3.84Å; H53-F520 AromaticContact CD2-CE1 3.2Å; H53-F520 WeakPolarHBondContact CD2-CE1 3.28Å; H53-F520 AromaticContact CD2-CZ 3.54Å; H53-F520 AromaticContact NE2-CD1 4Å; H53-F520 AromaticContact NE2-CE1 3.17Å; H53-F520 WeakPolarHBondContact NE2-CE1 3.42Å; H53-F520 AromaticContact NE2-CZ 3.88Å; Q57-F520 VanDerWaalsContact OE1-CE1 3.23Å; R474-F520 VanDerWaalsContact NH2-CG 3.27Å; S516-F520 VanDerWaalsContact O-CD2 3.27Å; S516-F520 WeakPolarHBondContact O-CD2 3.34Å; S516-F520 WeakPolarHBondContact O-CE2 3.47Å; F517-F520 WeakPolarHBondContact O-CA 3.48Å; F517-F520 WeakPolarHBondContact O-CB 3.17Å; F517-F520 WeakPolarHBondContact O-CD2 3.45Å; F517-F520 PolarHBondContact O-N 2.71Å; L518-F520 PolarHBondContact O-N 3.04Å; F520-N523 PolarHBondContact O-N 3.22Å; F520-Y524 WeakPolarHBondContact O-CD2 3.3Å |
| 521 | S | 64.6 | Low | 65.3 | Low | 15 Ų | 15 | 25.2 Ų | 25.2 | 11% | 0.105 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.6 | -33.5 | -174.9 | -53.4 | 0 | 0 | 0 | 0 | 113.5 | F517 L518 N523 Y524 Y525 M609 | F517-S521 PolarHBondContact O-N 2.88Å; L518-S521 PolarHBondContact O-N 2.88Å; L518-S521 VanDerWaalsContact O-N 3.15Å; S521-N523 PolarHBondContact O-N 3.03Å; S521-Y524 WeakPolarHBondContact O-CA 3.32Å; S521-Y524 VanDerWaalsContact O-CB 3.31Å; S521-Y524 WeakPolarHBondContact O-CB 3.37Å; S521-Y524 PolarHBondContact O-N 2.95Å; S521-Y525 PolarHBondContact O-N 2.89Å; S521-M609 WeakPolarHBondContact CB-SD 3.17Å; S521-M609 WeakPolarHBondContact OG-CE 3.3Å; S521-M609 PolarHBondContact OG-SD 2.95Å |
| 522 | W | 63.5 | Low | 63.5 | Low | 9 Ų | 9 | 27.2 Ų | 27.2 | 3% | 0.034 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.7 | -31.3 | -179.9 | -167.5 | -90.1 | 0 | 0 | 0 | 112.6 | Y379 Y382 L383 L477 L518 Y524 Y525 M526 V606 M610 | Y379-W522 AromaticContact CD1-CH2 3.81Å; Y379-W522 HydrophobicContact CD1-CH2 3.81Å; Y379-W522 AromaticContact CD1-CZ3 3.96Å; Y379-W522 HydrophobicContact CD1-CZ3 3.96Å; Y379-W522 HydrophobicContact CE1-CH2 4.29Å; Y379-W522 HydrophobicContact CE1-CZ3 4.08Å; Y382-W522 HydrophobicContact CE1-CD2 4.49Å; L383-W522 HydrophobicContact CD2-CZ2 4.25Å; L477-W522 HydrophobicContact CD1-CB 4.21Å; L477-W522 HydrophobicContact CD1-CG 4.17Å; L477-W522 HydrophobicContact CD2-CG 3.96Å; L518-W522 HydrophobicContact CD1-CE3 4.39Å; L518-W522 WeakPolarHBondContact O-CB 3.39Å; L518-W522 PolarHBondContact O-N 3.28Å; W522-Y524 VanDerWaalsContact C-N 3.27Å; W522-Y524 PolarHBondContact O-N 2.93Å; W522-Y525 HydrophobicContact CH2-CD1 4.19Å; W522-Y525 HydrophobicContact CH2-CE1 4.22Å; W522-Y525 HydrophobicContact CZ2-CD1 4.34Å; W522-Y525 HydrophobicContact CZ3-CD1 4.31Å; W522-Y525 PolarHBondContact O-N 2.98Å; W522-M526 VanDerWaalsContact CD1-CG 3.4Å; W522-M526 HydrophobicContact CG-CG 4.35Å; W522-M526 HydrophobicContact CZ2-SD 4.31Å; W522-M526 WeakPolarHBondContact O-CB 3.27Å; W522-M526 WeakPolarHBondContact O-CG 3.48Å; W522-M526 PolarHBondContact O-N 2.75Å; W522-V606 HydrophobicContact CE3-CG1 3.55Å; W522-V606 HydrophobicContact CE3-CG2 4.22Å; W522-V606 HydrophobicContact CH2-CG1 4.42Å; W522-V606 HydrophobicContact CZ3-CG1 3.32Å; W522-M610 HydrophobicContact CE3-CE 4.08Å; W522-M610 HydrophobicContact CZ3-CE 3.99Å; W522-M610 HydrophobicContact CZ3-SD 4.43Å |
| 523 | N | 60.5 | Low | 62.2 | Low | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.8 | -35.8 | 174 | -95.9 | -2.3 | 0 | 0 | 0 | 112.3 | I61 R474 F520 S521 R527 | I61-N523 HydrophobicContact CD1-CB 4.07Å; R474-N523 WeakPolarHBondContact CD-ND2 3.5Å; R474-N523 PolarHBondContact NH1-ND2 3.3Å; F520-N523 PolarHBondContact O-N 3.22Å; S521-N523 PolarHBondContact O-N 3.03Å; N523-R527 WeakPolarHBondContact O-CB 3.28Å; N523-R527 PolarHBondContact O-N 3.45Å |
| 524 | Y | 59.7 | Low | 60.8 | Low | 26 Ų | 26 | 35.2 Ų | 35.2 | 10% | 0.102 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.8 | -46.1 | 174.2 | -72.5 | -74.8 | 0 | 0 | 0 | 111.6 | L107 F111 F520 S521 W522 R527 S528 F598 | L107-Y524 HydrophobicContact CD1-CE1 4.17Å; F111-Y524 HydrophobicContact CE2-CE1 4.41Å; F111-Y524 AromaticContact CE2-CZ 3.83Å; F111-Y524 WeakPolarHBondContact CE2-OH 3.43Å; F111-Y524 HydrophobicContact CZ-CE2 4.25Å; F111-Y524 AromaticContact CZ-CZ 3.64Å; F111-Y524 WeakPolarHBondContact CZ-OH 3.2Å; F520-Y524 WeakPolarHBondContact O-CD2 3.3Å; S521-Y524 WeakPolarHBondContact O-CA 3.32Å; S521-Y524 VanDerWaalsContact O-CB 3.31Å; S521-Y524 WeakPolarHBondContact O-CB 3.37Å; S521-Y524 PolarHBondContact O-N 2.95Å; W522-Y524 VanDerWaalsContact C-N 3.27Å; W522-Y524 PolarHBondContact O-N 2.93Å; Y524-R527 WeakPolarHBondContact O-CB 3.18Å; Y524-R527 PolarHBondContact O-N 2.74Å; Y524-S528 WeakPolarHBondContact O-CB 3.18Å; Y524-S528 PolarHBondContact O-N 2.96Å; Y524-S528 PolarHBondContact O-OG 2.72Å; Y524-F598 HydrophobicContact CD1-CZ 4.06Å |
| 525 | Y | 58.2 | Low | 59.2 | Low | 45 Ų | 45 | 35.3 Ų | 35.3 | 18% | 0.176 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.4 | -46 | 177.1 | 179.7 | -97.6 | 0 | 0 | 0 | 112.3 | S521 W522 R527 S528 A529 M599 V606 | S521-Y525 PolarHBondContact O-N 2.89Å; W522-Y525 HydrophobicContact CH2-CD1 4.19Å; W522-Y525 HydrophobicContact CH2-CE1 4.22Å; W522-Y525 HydrophobicContact CZ2-CD1 4.34Å; W522-Y525 HydrophobicContact CZ3-CD1 4.31Å; W522-Y525 PolarHBondContact O-N 2.98Å; Y525-R527 VanDerWaalsContact C-N 3.27Å; Y525-R527 PolarHBondContact O-N 2.84Å; Y525-S528 CarbonylContact O-C 3.59Å; Y525-S528 WeakPolarHBondContact O-CA 3.46Å; Y525-S528 WeakPolarHBondContact O-CB 3.33Å; Y525-S528 PolarHBondContact O-N 3.39Å; Y525-A529 HydrophobicContact CE1-CB 4.24Å; Y525-A529 WeakPolarHBondContact O-CB 3.27Å; Y525-A529 PolarHBondContact O-N 3.14Å; Y525-M599 HydrophobicContact CE2-CE 4.39Å; Y525-V606 HydrophobicContact CD1-CG1 4.46Å; Y525-V606 HydrophobicContact CD2-CB 4.16Å; Y525-V606 HydrophobicContact CD2-CG1 4.47Å; Y525-V606 HydrophobicContact CD2-CG2 4.25Å; Y525-V606 HydrophobicContact CG-CB 4.15Å; Y525-V606 HydrophobicContact CG-CG1 4.26Å; Y525-V606 HydrophobicContact CG-CG2 3.87Å |
| 526 | M | 58.3 | Low | 57.6 | Low | 30 Ų | 30 | 43.5 Ų | 43.5 | 15% | 0.148 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.1 | -32.9 | 175.1 | -74.2 | -70.8 | -81.1 | 0 | 0 | 112 | L473 W522 S528 R530 | L473-M526 HydrophobicContact CD1-CE 4.2Å; L473-M526 HydrophobicContact CD2-CB 4.09Å; L473-M526 HydrophobicContact CD2-CG 4.46Å; W522-M526 VanDerWaalsContact CD1-CG 3.4Å; W522-M526 HydrophobicContact CG-CG 4.35Å; W522-M526 HydrophobicContact CZ2-SD 4.31Å; W522-M526 WeakPolarHBondContact O-CB 3.27Å; W522-M526 WeakPolarHBondContact O-CG 3.48Å; W522-M526 PolarHBondContact O-N 2.75Å; M526-S528 VanDerWaalsContact C-N 3.34Å; M526-R530 VanDerWaalsContact O-CB 3.3Å; M526-R530 WeakPolarHBondContact O-CB 3.47Å; M526-R530 WeakPolarHBondContact O-CG 3.39Å; M526-R530 PolarHBondContact O-N 3.02Å; M526-R530 VanDerWaalsContact O-N 3.11Å; M526-R530 PolarHBondContact O-NE 2.6Å |
| 527 | R | 55.4 | Low | 56 | Low | 16 Ų | 16 | 47 Ų | 47 | 6% | 0.06 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.8 | -41.3 | 171.5 | 165.2 | 176.5 | 160.1 | 165.1 | -8.4 | 111.4 | Y64 L107 N523 Y524 Y525 | Y64-R527 VanDerWaalsContact CD1-CZ 3.43Å; Y64-R527 PolarHBondContact OH-NH2 3.42Å; L107-R527 VanDerWaalsContact CD1-NH1 3.34Å; N523-R527 WeakPolarHBondContact O-CB 3.28Å; N523-R527 PolarHBondContact O-N 3.45Å; Y524-R527 WeakPolarHBondContact O-CB 3.18Å; Y524-R527 PolarHBondContact O-N 2.74Å; Y525-R527 VanDerWaalsContact C-N 3.27Å; Y525-R527 PolarHBondContact O-N 2.84Å |
| 528 | S | 51.9 | Low | 54.6 | Low | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.7 | -55.6 | 177.1 | -63.5 | 0 | 0 | 0 | 0 | 110.5 | Y524 Y525 M526 R530 A531 L532 F598 M599 | Y524-S528 WeakPolarHBondContact O-CB 3.18Å; Y524-S528 PolarHBondContact O-N 2.96Å; Y524-S528 PolarHBondContact O-OG 2.72Å; Y525-S528 CarbonylContact O-C 3.59Å; Y525-S528 WeakPolarHBondContact O-CA 3.46Å; Y525-S528 WeakPolarHBondContact O-CB 3.33Å; Y525-S528 PolarHBondContact O-N 3.39Å; M526-S528 VanDerWaalsContact C-N 3.34Å; S528-R530 PolarHBondContact O-N 3.06Å; S528-R530 VanDerWaalsContact O-N 3.13Å; S528-A531 WeakPolarHBondContact O-CA 3.38Å; S528-A531 VanDerWaalsContact O-CB 3.25Å; S528-A531 WeakPolarHBondContact O-CB 3.32Å; S528-A531 PolarHBondContact O-N 2.94Å; S528-L532 PolarHBondContact O-N 3.21Å; S528-F598 VanDerWaalsContact OG-CD1 3.24Å; S528-F598 WeakPolarHBondContact OG-CD1 3.29Å; S528-F598 WeakPolarHBondContact OG-CE1 3.32Å; S528-M599 VanDerWaalsContact CB-CE 3.41Å; S528-M599 WeakPolarHBondContact CB-SD 3.35Å |
| 529 | A | 51.4 | Low | 53.4 | Low | 27 Ų | 27 | 48.4 Ų | 48.4 | 22% | 0.223 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.1 | -29.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y525 A531 L532 M599 | Y525-A529 HydrophobicContact CE1-CB 4.24Å; Y525-A529 WeakPolarHBondContact O-CB 3.27Å; Y525-A529 PolarHBondContact O-N 3.14Å; A529-A531 PolarHBondContact O-N 3.45Å; A529-L532 WeakPolarHBondContact O-CB 3.34Å; A529-L532 PolarHBondContact O-N 3.01Å; A529-M599 HydrophobicContact CB-CE 4.47Å; A529-M599 PolarHBondContact N-SD 3.15Å; A529-M599 VanDerWaalsContact N-SD 3.4Å |
| 530 | R | 51.3 | Low | 52.1 | Low | 30 Ų | 30 | 53.7 Ų | 53.7 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.9 | -33.1 | 169.4 | -86.4 | 179.5 | -82.3 | 175.8 | -5.4 | 113.1 | A399 M526 S528 | A399-R530 HydrophobicContact CB-CG 4.17Å; M526-R530 VanDerWaalsContact O-CB 3.3Å; M526-R530 WeakPolarHBondContact O-CB 3.47Å; M526-R530 WeakPolarHBondContact O-CG 3.39Å; M526-R530 PolarHBondContact O-N 3.02Å; M526-R530 VanDerWaalsContact O-N 3.11Å; M526-R530 PolarHBondContact O-NE 2.6Å; S528-R530 PolarHBondContact O-N 3.06Å; S528-R530 VanDerWaalsContact O-N 3.13Å |
| 531 | A | 46.4 | Very low | 51 | Low | 17 Ų | 17 | 59.2 Ų | 59.2 | 14% | 0.14 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -79.3 | -19.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S528 A529 R534 | S528-A531 WeakPolarHBondContact O-CA 3.38Å; S528-A531 VanDerWaalsContact O-CB 3.25Å; S528-A531 WeakPolarHBondContact O-CB 3.32Å; S528-A531 PolarHBondContact O-N 2.94Å; A529-A531 PolarHBondContact O-N 3.45Å; A531-R534 WeakPolarHBondContact O-CB 3.36Å; A531-R534 VanDerWaalsContact O-CD 3.31Å; A531-R534 WeakPolarHBondContact O-CD 3.46Å; A531-R534 WeakPolarHBondContact O-CG 3.25Å; A531-R534 PolarHBondContact O-N 3.43Å |
| 532 | L | 43.6 | Very low | 50.2 | Low | 64 Ų | 64 | 65.1 Ų | 65.1 | 34% | 0.335 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -75.2 | -23.5 | -177.9 | -160.9 | 79 | 0 | 0 | 0 | 113.4 | S528 A529 R534 L535 Y540 M599 | S528-L532 PolarHBondContact O-N 3.21Å; A529-L532 WeakPolarHBondContact O-CB 3.34Å; A529-L532 PolarHBondContact O-N 3.01Å; L532-R534 PolarHBondContact O-N 3.42Å; L532-L535 PolarHBondContact O-N 2.85Å; L532-Y540 HydrophobicContact CD1-CD2 4.41Å; L532-Y540 HydrophobicContact CD2-CD2 3.83Å; L532-Y540 HydrophobicContact CD2-CE2 3.65Å; L532-M599 HydrophobicContact CB-SD 4.1Å; L532-M599 HydrophobicContact CD1-SD 4.26Å |
| 533 | K | 51.4 | Low | 49.4 | Very low | 148 Ų | 148 | 67 Ų | 67 | 64% | 0.643 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 3.4 | 170 | -76 | -168.2 | 175.6 | -172.1 | 0 | 114 | L400 | L400-K533 HydrophobicContact CD2-CD 3.68Š|
| 534 | R | 45.5 | Very low | 48.8 | Very low | 88 Ų | 88 | 74 Ų | 74 | 33% | 0.332 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -12.4 | 174.6 | -70.3 | 177.5 | 175.7 | 174.9 | -3 | 114.7 | Q403 A531 L532 | Q403-R534 VanDerWaalsContact NE2-NH2 3.1Å; A531-R534 WeakPolarHBondContact O-CB 3.36Å; A531-R534 VanDerWaalsContact O-CD 3.31Å; A531-R534 WeakPolarHBondContact O-CD 3.46Å; A531-R534 WeakPolarHBondContact O-CG 3.25Å; A531-R534 PolarHBondContact O-N 3.43Å; L532-R534 PolarHBondContact O-N 3.42Å |
| 535 | L | 45.3 | Very low | 48 | Very low | 90 Ų | 90 | 78.9 Ų | 78.9 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -145.5 | 133.4 | -173.9 | -92.7 | 142.8 | 0 | 0 | 0 | 112.1 | L532 V539 L592 | L532-L535 PolarHBondContact O-N 2.85Å; L535-V539 HydrophobicContact CD2-CG2 4.2Å; L535-L592 HydrophobicContact CD1-CD1 3.91Å; L535-L592 HydrophobicContact CD1-CD2 3.7Å; L535-L592 HydrophobicContact CD1-CG 4.45Å |
| 536 | E | 44.5 | Very low | 47.1 | Very low | 172 Ų | 172 | 79.6 Ų | 79.6 | 80% | 0.804 | 43% | 0.426 | S | S | * | . | trans | -51.6 | 152.2 | 174 | -70.6 | 179.4 | 142.8 | 0 | 0 | 112.7 | A538 V539 | E536-A538 PolarHBondContact O-N 3.38Å; E536-V539 PolarHBondContact O-N 2.77Å | ||
| 537 | A | 39.9 | Very low | 46.7 | Very low | 82 Ų | 82 | 85.5 Ų | 85.5 | 68% | 0.678 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -10 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | L541 | A537-L541 PolarHBondContact O-N 3.3Š|
| 538 | A | 42.5 | Very low | 46.3 | Very low | 68 Ų | 68 | 89.6 Ų | 89.6 | 56% | 0.562 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -70.5 | -32.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E536 | E536-A538 PolarHBondContact O-N 3.38Å |
| 539 | V | 49 | Very low | 46.2 | Very low | 58 Ų | 58 | 94 Ų | 94 | 35% | 0.352 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -79 | -30.1 | 178.5 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | L535 E536 L542 L543 | L535-V539 HydrophobicContact CD2-CG2 4.2Å; E536-V539 PolarHBondContact O-N 2.77Å; V539-L542 PolarHBondContact O-N 3.34Å; V539-L543 HydrophobicContact CG1-CD1 3.63Å; V539-L543 HydrophobicContact CG1-CG 4.5Å; V539-L543 WeakPolarHBondContact O-CD1 3.32Å; V539-L543 WeakPolarHBondContact O-CG 3.25Å; V539-L543 PolarHBondContact O-N 3.32Å |
| 540 | Y | 44.3 | Very low | 46.1 | Very low | 112 Ų | 112 | 95.1 Ų | 95.1 | 44% | 0.439 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.3 | -36.2 | 178.4 | -156.7 | -96.1 | 0 | 0 | 0 | 112 | L532 L543 | L532-Y540 HydrophobicContact CD1-CD2 4.41Å; L532-Y540 HydrophobicContact CD2-CD2 3.83Å; L532-Y540 HydrophobicContact CD2-CE2 3.65Å; Y540-L543 PolarHBondContact O-N 3.1Å |
| 541 | L | 44.2 | Very low | 46.1 | Very low | 139 Ų | 139 | 97 Ų | 97 | 73% | 0.728 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -73.2 | -28.4 | 177.9 | -131.6 | 143 | 0 | 0 | 0 | 112.8 | A537 | A537-L541 PolarHBondContact O-N 3.3Å |
| 542 | L | 47.3 | Very low | 46.3 | Very low | 140 Ų | 140 | 102.2 Ų | 102.2 | 73% | 0.733 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -79.9 | -22 | 175.1 | -92.6 | 154.3 | 0 | 0 | 0 | 113.8 | V539 | V539-L542 PolarHBondContact O-N 3.34Å |
| 543 | L | 46.9 | Very low | 46.5 | Very low | 49 Ų | 49 | 100.8 Ų | 100.8 | 26% | 0.257 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -92.9 | -21.2 | -174.8 | -84.2 | 162.2 | 0 | 0 | 0 | 114.7 | V539 Y540 V545 L553 | V539-L543 HydrophobicContact CG1-CD1 3.63Å; V539-L543 HydrophobicContact CG1-CG 4.5Å; V539-L543 WeakPolarHBondContact O-CD1 3.32Å; V539-L543 WeakPolarHBondContact O-CG 3.25Å; V539-L543 PolarHBondContact O-N 3.32Å; Y540-L543 PolarHBondContact O-N 3.1Å; L543-V545 PolarHBondContact O-N 3.22Å; L543-V545 VanDerWaalsContact O-N 3.08Å; L543-L553 HydrophobicContact CD2-CD1 4.36Å |
| 544 | Q | 47.1 | Very low | 46.5 | Very low | 150 Ų | 150 | 96 Ų | 96 | 70% | 0.701 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -2.4 | 178 | -75.9 | -161.6 | -34.3 | 0 | 0 | 114.3 | ||
| 545 | V | 44.4 | Very low | 46.9 | Very low | 127 Ų | 127 | 100.1 Ų | 100.1 | 77% | 0.77 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 3 | -177.1 | 179.4 | 0 | 0 | 0 | 0 | 114 | L543 | L543-V545 PolarHBondContact O-N 3.22Å; L543-V545 VanDerWaalsContact O-N 3.08Å |
| 546 | S | 39.1 | Very low | 47.4 | Very low | 60 Ų | 60 | 98.9 Ų | 98.9 | 42% | 0.42 | 56% | 0.559 | S | S | . | * | trans | -133.1 | 86.5 | -172.7 | 53.7 | 0 | 0 | 0 | 0 | 116.4 | L548 | S546-L548 PolarHBondContact O-N 3.37Š| ||
| 547 | V | 49.2 | Very low | 47.9 | Very low | 154 Ų | 154 | 92.8 Ų | 92.8 | 93% | 0.933 | 53% | 0.532 | S | S | * | . | trans | -72.8 | 63.3 | 157 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 548 | L | 47.8 | Very low | 48.6 | Very low | 102 Ų | 102 | 91.8 Ų | 91.8 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | trans | -131.8 | 144.7 | 178.5 | -81.4 | 167.8 | 0 | 0 | 0 | 112.2 | S546 Y552 | S546-L548 PolarHBondContact O-N 3.37Å; L548-Y552 HydrophobicContact CD1-CD1 4.06Å; L548-Y552 HydrophobicContact CD1-CE1 4.3Å | ||
| 549 | P | 49 | Very low | 49.2 | Very low | 96 Ų | 96 | 97.3 Ų | 97.3 | 62% | 0.623 | 53% | 0.53 | S | S | * | . | trans | -56.9 | 142.2 | -173.7 | -19.6 | 29.7 | 0 | 0 | 0 | 112 | A551 Y552 | P549-A551 PolarHBondContact O-N 3.1Å; P549-Y552 PolarHBondContact O-N 3.07Å | ||
| 550 | G | 48.7 | Very low | 49.6 | Very low | 52 Ų | 52 | 99.3 Ų | 99.3 | 54% | 0.536 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -51.6 | -17.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 117 | A554 | G550-A554 PolarHBondContact O-N 2.95Å |
| 551 | A | 51.1 | Low | 50.1 | Low | 69 Ų | 69 | 98.3 Ų | 98.3 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.1 | -34.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P549 R555 | P549-A551 PolarHBondContact O-N 3.1Å; A551-R555 PolarHBondContact O-N 3.48Å |
| 552 | Y | 51.9 | Low | 50.6 | Low | 127 Ų | 127 | 97.4 Ų | 97.4 | 50% | 0.498 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.9 | -40.9 | 176.3 | -152.9 | -96.5 | 0 | 0 | 0 | 110.7 | L548 P549 A554 R555 V556 | L548-Y552 HydrophobicContact CD1-CD1 4.06Å; L548-Y552 HydrophobicContact CD1-CE1 4.3Å; P549-Y552 PolarHBondContact O-N 3.07Å; Y552-A554 VanDerWaalsContact C-N 3.34Å; Y552-A554 PolarHBondContact O-N 3.15Å; Y552-R555 PolarHBondContact O-N 3.16Å; Y552-R555 VanDerWaalsContact O-N 3.16Å; Y552-V556 HydrophobicContact CD1-CG2 3.88Å; Y552-V556 HydrophobicContact CE1-CG2 3.94Å; Y552-V556 WeakPolarHBondContact O-CG2 3.17Å; Y552-V556 PolarHBondContact O-N 2.96Å |
| 553 | L | 48.2 | Very low | 51.1 | Low | 34 Ų | 34 | 95 Ų | 95 | 18% | 0.178 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -60.1 | -42 | 173.9 | -162.3 | 83.3 | 0 | 0 | 0 | 111.5 | L543 R555 V556 L557 Q597 L600 | L543-L553 HydrophobicContact CD2-CD1 4.36Å; L553-R555 PolarHBondContact O-N 2.82Å; L553-V556 PolarHBondContact O-N 2.89Å; L553-L557 HydrophobicContact CD2-CD1 4.07Å; L553-L557 HydrophobicContact CG-CD1 3.9Å; L553-L557 HydrophobicContact CG-CG 4.39Å; L553-L557 VanDerWaalsContact O-CB 3.27Å; L553-L557 WeakPolarHBondContact O-CB 3.31Å; L553-L557 WeakPolarHBondContact O-CD1 3.34Å; L553-L557 WeakPolarHBondContact O-CG 3.2Å; L553-L557 PolarHBondContact O-N 3.03Å; L553-Q597 HydrophobicContact CD2-CG 4.3Å; L553-L600 HydrophobicContact CD2-CD1 4.29Å |
| 554 | A | 50.5 | Low | 51.6 | Low | 47 Ų | 47 | 97.6 Ų | 97.6 | 39% | 0.388 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G550 Y552 A558 | G550-A554 PolarHBondContact O-N 2.95Å; Y552-A554 VanDerWaalsContact C-N 3.34Å; Y552-A554 PolarHBondContact O-N 3.15Å; A554-A558 VanDerWaalsContact O-CB 3.24Å; A554-A558 WeakPolarHBondContact O-CB 3.42Å; A554-A558 PolarHBondContact O-N 3.02Å |
| 555 | R | 53.4 | Low | 52 | Low | 175 Ų | 175 | 98.2 Ų | 98.2 | 66% | 0.66 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.6 | -38.4 | 175 | -75.3 | 178.9 | 179 | 160.5 | 0.5 | 112.8 | A551 Y552 L553 R559 | A551-R555 PolarHBondContact O-N 3.48Å; Y552-R555 PolarHBondContact O-N 3.16Å; Y552-R555 VanDerWaalsContact O-N 3.16Å; L553-R555 PolarHBondContact O-N 2.82Å; R555-R559 WeakPolarHBondContact O-CG 3.04Å; R555-R559 PolarHBondContact O-N 3.37Å; R555-R559 VanDerWaalsContact O-N 3.1Å |
| 556 | V | 57.1 | Low | 52.6 | Low | 63 Ų | 63 | 96.5 Ų | 96.5 | 38% | 0.382 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.9 | -44.1 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | Y552 L553 R559 L560 | Y552-V556 HydrophobicContact CD1-CG2 3.88Å; Y552-V556 HydrophobicContact CE1-CG2 3.94Å; Y552-V556 WeakPolarHBondContact O-CG2 3.17Å; Y552-V556 PolarHBondContact O-N 2.96Å; L553-V556 PolarHBondContact O-N 2.89Å; V556-R559 PolarHBondContact O-N 3.25Å; V556-L560 HydrophobicContact CG1-CD1 4.28Å; V556-L560 PolarHBondContact O-N 2.72Å |
| 557 | L | 53.9 | Low | 53.7 | Low | 44 Ų | 44 | 100.2 Ų | 100.2 | 23% | 0.23 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 174.9 | -70.8 | 167.8 | 0 | 0 | 0 | 111.7 | L553 R559 L560 V561 T593 | L553-L557 HydrophobicContact CD2-CD1 4.07Å; L553-L557 HydrophobicContact CG-CD1 3.9Å; L553-L557 HydrophobicContact CG-CG 4.39Å; L553-L557 VanDerWaalsContact O-CB 3.27Å; L553-L557 WeakPolarHBondContact O-CB 3.31Å; L553-L557 WeakPolarHBondContact O-CD1 3.34Å; L553-L557 WeakPolarHBondContact O-CG 3.2Å; L553-L557 PolarHBondContact O-N 3.03Å; L557-R559 VanDerWaalsContact C-N 3.3Å; L557-R559 PolarHBondContact O-N 3.37Å; L557-L560 HydrophobicContact CD2-CD1 4.34Å; L557-L560 WeakPolarHBondContact O-CB 3.33Å; L557-L560 PolarHBondContact O-N 2.77Å; L557-L560 VanDerWaalsContact O-N 3.15Å; L557-V561 WeakPolarHBondContact O-CG2 3.39Å; L557-V561 PolarHBondContact O-N 3.09Å; L557-T593 HydrophobicContact CD1-CG2 3.88Å |
| 558 | A | 54.6 | Low | 54.3 | Low | 61 Ų | 61 | 97.4 Ų | 97.4 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -34.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A554 V561 | A554-A558 VanDerWaalsContact O-CB 3.24Å; A554-A558 WeakPolarHBondContact O-CB 3.42Å; A554-A558 PolarHBondContact O-N 3.02Å; A558-V561 PolarHBondContact O-N 2.84Å |
| 559 | R | 55.5 | Low | 54.6 | Low | 185 Ų | 185 | 102 Ų | 102 | 70% | 0.698 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72.7 | -28.7 | 173.8 | -74.8 | 178.4 | 180 | 178.7 | -0.2 | 113 | R555 V556 L557 V561 L562 P563 | R555-R559 WeakPolarHBondContact O-CG 3.04Å; R555-R559 PolarHBondContact O-N 3.37Å; R555-R559 VanDerWaalsContact O-N 3.1Å; V556-R559 PolarHBondContact O-N 3.25Å; L557-R559 VanDerWaalsContact C-N 3.3Å; L557-R559 PolarHBondContact O-N 3.37Å; R559-V561 VanDerWaalsContact C-N 3.29Å; R559-V561 PolarHBondContact O-N 3.22Å; R559-L562 PolarHBondContact O-N 3.01Å; R559-P563 WeakPolarHBondContact O-CD 3.44Å |
| 560 | L | 57.4 | Low | 55.1 | Low | 100 Ų | 100 | 100 Ų | 100 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.5 | -17.9 | 172.9 | -76.8 | 165 | 0 | 0 | 0 | 113.5 | V556 L557 P563 F564 | V556-L560 HydrophobicContact CG1-CD1 4.28Å; V556-L560 PolarHBondContact O-N 2.72Å; L557-L560 HydrophobicContact CD2-CD1 4.34Å; L557-L560 WeakPolarHBondContact O-CB 3.33Å; L557-L560 PolarHBondContact O-N 2.77Å; L557-L560 VanDerWaalsContact O-N 3.15Å; L560-P563 VanDerWaalsContact O-CD 3.28Å; L560-P563 WeakPolarHBondContact O-CD 3.22Å; L560-P563 VanDerWaalsContact O-CG 3.3Å; L560-P563 WeakPolarHBondContact O-CG 3.47Å; L560-F564 VanDerWaalsContact O-CD2 3.3Å; L560-F564 WeakPolarHBondContact O-CD2 3.37Å; L560-F564 WeakPolarHBondContact O-CE2 3.43Å |
| 561 | V | 55.8 | Low | 55.6 | Low | 90 Ų | 90 | 99 Ų | 99 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -78.7 | -25.4 | 173.9 | 177 | 0 | 0 | 0 | 0 | 112.1 | L557 A558 R559 F564 | L557-V561 WeakPolarHBondContact O-CG2 3.39Å; L557-V561 PolarHBondContact O-N 3.09Å; A558-V561 PolarHBondContact O-N 2.84Å; R559-V561 VanDerWaalsContact C-N 3.29Å; R559-V561 PolarHBondContact O-N 3.22Å; V561-F564 WeakPolarHBondContact O-CB 3.44Å; V561-F564 PolarHBondContact O-N 3.49Å |
| 562 | L | 54.4 | Low | 55.9 | Low | 121 Ų | 121 | 98.8 Ų | 98.8 | 63% | 0.634 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -58.2 | -40.6 | 179.5 | -72.6 | 165.9 | 0 | 0 | 0 | 115 | R559 F564 K565 | R559-L562 PolarHBondContact O-N 3.01Å; L562-F564 PolarHBondContact O-N 3.02Å; L562-K565 PolarHBondContact O-N 3.17Å |
| 563 | P | 57.1 | Low | 56.2 | Low | 88 Ų | 88 | 99.2 Ų | 99.2 | 57% | 0.571 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -70.1 | -6.1 | 174.4 | 26.1 | -34.8 | 0 | 0 | 0 | 114.5 | R559 L560 K565 P566 | R559-P563 WeakPolarHBondContact O-CD 3.44Å; L560-P563 VanDerWaalsContact O-CD 3.28Å; L560-P563 WeakPolarHBondContact O-CD 3.22Å; L560-P563 VanDerWaalsContact O-CG 3.3Å; L560-P563 WeakPolarHBondContact O-CG 3.47Å; P563-K565 VanDerWaalsContact C-N 3.33Å; P563-P566 WeakPolarHBondContact O-CD 3.27Å |
| 564 | F | 58.5 | Low | 56.6 | Low | 105 Ų | 105 | 102.7 Ų | 102.7 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -81.1 | -5.4 | 175 | -76.6 | -93.1 | 0 | 0 | 0 | 114 | L560 V561 L562 Y567 I568 | L560-F564 VanDerWaalsContact O-CD2 3.3Å; L560-F564 WeakPolarHBondContact O-CD2 3.37Å; L560-F564 WeakPolarHBondContact O-CE2 3.43Å; V561-F564 WeakPolarHBondContact O-CB 3.44Å; V561-F564 PolarHBondContact O-N 3.49Å; L562-F564 PolarHBondContact O-N 3.02Å; F564-Y567 AromaticContact CD1-CD1 3.81Å; F564-Y567 HydrophobicContact CD1-CD1 3.81Å; F564-Y567 HydrophobicContact CD1-CG 4.14Å; F564-Y567 HydrophobicContact CE1-CD1 4.25Å; F564-Y567 CarbonylContact O-C 3.21Å; F564-Y567 WeakPolarHBondContact O-CA 3.43Å; F564-Y567 WeakPolarHBondContact O-CB 3.37Å; F564-Y567 PolarHBondContact O-N 3.05Å; F564-I568 HydrophobicContact CB-CD1 4.47Å; F564-I568 WeakPolarHBondContact O-CG1 3.41Å; F564-I568 PolarHBondContact O-N 2.91Å |
| 565 | K | 53.9 | Low | 56.8 | Low | 162 Ų | 162 | 102.2 Ų | 102.2 | 70% | 0.704 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -50.7 | -47.7 | 176.4 | -117.9 | -179.8 | 179.3 | -179.3 | 0 | 114.7 | L562 P563 Y567 R569 | L562-K565 PolarHBondContact O-N 3.17Å; P563-K565 VanDerWaalsContact C-N 3.33Å; K565-Y567 VanDerWaalsContact C-N 3.33Å; K565-R569 PolarHBondContact O-N 2.57Å |
| 566 | P | 57.2 | Low | 56.9 | Low | 92 Ų | 92 | 99 Ų | 99 | 60% | 0.597 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.3 | -31.9 | 173.9 | 24 | -33.5 | 0 | 0 | 0 | 113 | P563 R569 S570 | P563-P566 WeakPolarHBondContact O-CD 3.27Å; P566-R569 PolarHBondContact O-N 3Å; P566-S570 PolarHBondContact O-N 2.64Å |
| 567 | Y | 62.1 | Low | 56.8 | Low | 138 Ų | 138 | 99.6 Ų | 99.6 | 54% | 0.541 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.8 | -40 | 177.1 | -162.8 | -105.4 | 0 | 0 | 0 | 111.9 | F564 K565 R569 S570 I571 | F564-Y567 AromaticContact CD1-CD1 3.81Å; F564-Y567 HydrophobicContact CD1-CD1 3.81Å; F564-Y567 HydrophobicContact CD1-CG 4.14Å; F564-Y567 HydrophobicContact CE1-CD1 4.25Å; F564-Y567 CarbonylContact O-C 3.21Å; F564-Y567 WeakPolarHBondContact O-CA 3.43Å; F564-Y567 WeakPolarHBondContact O-CB 3.37Å; F564-Y567 PolarHBondContact O-N 3.05Å; K565-Y567 VanDerWaalsContact C-N 3.33Å; Y567-R569 VanDerWaalsContact C-N 3.27Å; Y567-R569 PolarHBondContact O-N 3.32Å; Y567-S570 WeakPolarHBondContact O-CB 3.31Å; Y567-S570 PolarHBondContact O-N 3.43Å; Y567-I571 HydrophobicContact CD1-CD1 3.49Å; Y567-I571 VanDerWaalsContact CD1-CD1 3.49Å; Y567-I571 HydrophobicContact CD1-CG1 4.25Å; Y567-I571 HydrophobicContact CE1-CD1 3.55Å; Y567-I571 HydrophobicContact CE1-CG1 4.23Å; Y567-I571 HydrophobicContact CG-CD1 4.46Å; Y567-I571 WeakPolarHBondContact O-CB 3.27Å; Y567-I571 VanDerWaalsContact O-CG1 3.29Å; Y567-I571 WeakPolarHBondContact O-CG1 3.49Å; Y567-I571 PolarHBondContact O-N 3.38Å |
| 568 | I | 61.4 | Low | 57.3 | Low | 95 Ų | 95 | 102 Ų | 102 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.5 | -36.3 | 172.6 | -66 | 165 | 0 | 0 | 0 | 110.8 | F564 I571 A572 | F564-I568 HydrophobicContact CB-CD1 4.47Å; F564-I568 WeakPolarHBondContact O-CG1 3.41Å; F564-I568 PolarHBondContact O-N 2.91Å; I568-I571 PolarHBondContact O-N 2.85Å; I568-A572 PolarHBondContact O-N 3.19Å |
| 569 | R | 55.2 | Low | 57.9 | Low | 199 Ų | 199 | 100.3 Ų | 100.3 | 75% | 0.751 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.3 | -36.3 | 176.5 | -161.4 | 176.8 | -176.7 | 167.1 | 1.2 | 112.7 | K565 P566 Y567 L573 | K565-R569 PolarHBondContact O-N 2.57Å; P566-R569 PolarHBondContact O-N 3Å; Y567-R569 VanDerWaalsContact C-N 3.27Å; Y567-R569 PolarHBondContact O-N 3.32Å; R569-L573 PolarHBondContact O-N 3.35Å |
| 570 | S | 59 | Low | 58.3 | Low | 54 Ų | 54 | 91.5 Ų | 91.5 | 38% | 0.378 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66 | -44.6 | 171.6 | 158.4 | 0 | 0 | 0 | 0 | 111.8 | P566 Y567 A572 L573 H574 | P566-S570 PolarHBondContact O-N 2.64Å; Y567-S570 WeakPolarHBondContact O-CB 3.31Å; Y567-S570 PolarHBondContact O-N 3.43Å; S570-A572 VanDerWaalsContact C-N 3.3Å; S570-A572 PolarHBondContact O-N 3.28Å; S570-L573 WeakPolarHBondContact O-CB 3.38Å; S570-L573 PolarHBondContact O-N 2.93Å; S570-L573 VanDerWaalsContact O-N 3.07Å; S570-H574 PolarHBondContact O-N 3.05Å; S570-H574 VanDerWaalsContact O-N 3.11Å |
| 571 | I | 59.6 | Low | 58.9 | Low | 31 Ų | 31 | 88.5 Ų | 88.5 | 16% | 0.159 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -59.1 | -41 | 175.2 | -72.6 | 167.8 | 0 | 0 | 0 | 111.2 | Y567 I568 L573 H574 A575 V582 L586 | Y567-I571 HydrophobicContact CD1-CD1 3.49Å; Y567-I571 VanDerWaalsContact CD1-CD1 3.49Å; Y567-I571 HydrophobicContact CD1-CG1 4.25Å; Y567-I571 HydrophobicContact CE1-CD1 3.55Å; Y567-I571 HydrophobicContact CE1-CG1 4.23Å; Y567-I571 HydrophobicContact CG-CD1 4.46Å; Y567-I571 WeakPolarHBondContact O-CB 3.27Å; Y567-I571 VanDerWaalsContact O-CG1 3.29Å; Y567-I571 WeakPolarHBondContact O-CG1 3.49Å; Y567-I571 PolarHBondContact O-N 3.38Å; I568-I571 PolarHBondContact O-N 2.85Å; I571-L573 PolarHBondContact O-N 3.24Å; I571-H574 PolarHBondContact O-N 3.35Å; I571-A575 VanDerWaalsContact O-CB 3.27Å; I571-A575 WeakPolarHBondContact O-CB 3.4Å; I571-A575 PolarHBondContact O-N 3.39Å; I571-V582 HydrophobicContact CG2-CB 4.36Å; I571-V582 HydrophobicContact CG2-CG1 3.28Å; I571-V582 HydrophobicContact CG2-CG2 4.21Å; I571-L586 HydrophobicContact CD1-CD2 4.37Å; I571-L586 HydrophobicContact CG2-CD1 4.46Å |
| 572 | A | 57.6 | Low | 59.5 | Low | 63 Ų | 63 | 85.2 Ų | 85.2 | 52% | 0.521 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.7 | -30.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | I568 S570 | I568-A572 PolarHBondContact O-N 3.19Å; S570-A572 VanDerWaalsContact C-N 3.3Å; S570-A572 PolarHBondContact O-N 3.28Å |
| 573 | L | 57 | Low | 60.1 | Low | 136 Ų | 136 | 80.4 Ų | 80.4 | 71% | 0.712 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -75 | -40.3 | 174.7 | -112.2 | 110.3 | 0 | 0 | 0 | 112.1 | R569 S570 I571 | R569-L573 PolarHBondContact O-N 3.35Å; S570-L573 WeakPolarHBondContact O-CB 3.38Å; S570-L573 PolarHBondContact O-N 2.93Å; S570-L573 VanDerWaalsContact O-N 3.07Å; I571-L573 PolarHBondContact O-N 3.24Å |
| 574 | H | 57.2 | Low | 60.7 | Low | 108 Ų | 108 | 77.2 Ų | 77.2 | 50% | 0.5 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -76.6 | -22.8 | 177.1 | -78.4 | -56.2 | 0 | 0 | 0 | 113.9 | S570 I571 V576 T577 E578 V582 | S570-H574 PolarHBondContact O-N 3.05Å; S570-H574 VanDerWaalsContact O-N 3.11Å; I571-H574 PolarHBondContact O-N 3.35Å; H574-V576 PolarHBondContact O-N 3.44Å; H574-V576 VanDerWaalsContact O-N 3.11Å; H574-T577 PolarHBondContact O-N 3.1Å; H574-T577 PolarHBondContact O-OG1 3.32Å; H574-E578 PolarHBondContact O-N 2.86Å; H574-V582 HydrophobicContact CB-CG2 4.43Å |
| 575 | A | 55.7 | Low | 61.2 | Low | 37 Ų | 37 | 75.8 Ų | 75.8 | 31% | 0.306 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -19.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I571 T577 S579 V582 | I571-A575 VanDerWaalsContact O-CB 3.27Å; I571-A575 WeakPolarHBondContact O-CB 3.4Å; I571-A575 PolarHBondContact O-N 3.39Å; A575-T577 VanDerWaalsContact C-N 3.32Å; A575-S579 WeakPolarHBondContact O-CB 3.26Å; A575-V582 HydrophobicContact CB-CG1 4.28Å |
| 576 | V | 54.4 | Low | 61.9 | Low | 106 Ų | 106 | 72.2 Ų | 72.2 | 64% | 0.642 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -29.4 | 176.5 | -177 | 0 | 0 | 0 | 0 | 111.7 | H574 | H574-V576 PolarHBondContact O-N 3.44Å; H574-V576 VanDerWaalsContact O-N 3.11Å |
| 577 | T | 56 | Low | 62.5 | Low | 77 Ų | 77 | 70 Ų | 70 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -27.8 | -175.6 | 52.1 | 0 | 0 | 0 | 0 | 114.5 | H574 A575 | H574-T577 PolarHBondContact O-N 3.1Å; H574-T577 PolarHBondContact O-OG1 3.32Å; A575-T577 VanDerWaalsContact C-N 3.32Å |
| 578 | E | 63.5 | Low | 63 | Low | 93 Ų | 93 | 65.9 Ų | 65.9 | 44% | 0.435 | 36% | 0.362 | S | S | . | . | trans | -138.3 | 57.7 | -174.1 | -57.7 | -174.8 | 179.3 | 0 | 0 | 110.8 | H574 G580 T581 V582 | H574-E578 PolarHBondContact O-N 2.86Å; E578-G580 PolarHBondContact O-N 2.97Å; E578-T581 WeakPolarHBondContact CB-OG1 3.4Å; E578-T581 PolarHBondContact O-OG1 2.9Å; E578-T581 VanDerWaalsContact O-OG1 3.11Å; E578-V582 WeakPolarHBondContact O-CB 3.3Å; E578-V582 WeakPolarHBondContact O-CG2 3.4Å; E578-V582 PolarHBondContact O-N 2.9Å | ||
| 579 | S | 66.8 | Low | 63.3 | Low | 26 Ų | 26 | 64.2 Ų | 64.2 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.4 | -30 | -176.4 | 54.7 | 0 | 0 | 0 | 0 | 114 | D418 K421 A575 G583 | D418-S579 PolarHBondContact OD1-N 3.3Å; K421-S579 WeakPolarHBondContact CD-OG 3.42Å; K421-S579 WeakPolarHBondContact CE-OG 3.43Å; K421-S579 PolarHBondContact NZ-OG 3.24Å; A575-S579 WeakPolarHBondContact O-CB 3.26Å; S579-G583 PolarHBondContact O-N 3.21Å |
| 580 | G | 65.7 | Low | 64 | Low | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67 | -53.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S414 D418 E578 V582 G583 L584 | S414-G580 WeakPolarHBondContact OG-CA 3.42Å; S414-G580 PolarHBondContact OG-O 2.92Å; S414-G580 VanDerWaalsContact OG-O 3.12Å; D418-G580 WeakPolarHBondContact OD1-CA 3.47Å; D418-G580 PolarHBondContact OD1-N 2.99Å; E578-G580 PolarHBondContact O-N 2.97Å; G580-V582 VanDerWaalsContact C-N 3.32Å; G580-V582 PolarHBondContact O-N 3.2Å; G580-G583 PolarHBondContact O-N 3.12Å; G580-G583 VanDerWaalsContact O-N 3.17Å; G580-L584 PolarHBondContact O-N 2.91Å |
| 581 | T | 68.3 | Low | 64.4 | Low | 37 Ų | 37 | 56.8 Ų | 56.8 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 179.9 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | S414 D418 E578 L584 S585 | S414-T581 PolarHBondContact OG-N 3.4Å; S414-T581 VanDerWaalsContact OG-N 3.08Å; D418-T581 PolarHBondContact OD2-N 3.07Å; E578-T581 WeakPolarHBondContact CB-OG1 3.4Å; E578-T581 PolarHBondContact O-OG1 2.9Å; E578-T581 VanDerWaalsContact O-OG1 3.11Å; T581-L584 PolarHBondContact O-N 3.37Å; T581-S585 WeakPolarHBondContact O-CB 3.45Å; T581-S585 PolarHBondContact O-N 3.1Å; T581-S585 PolarHBondContact O-OG 3.05Å |
| 582 | V | 69 | Low | 64.8 | Low | 21 Ų | 21 | 57.8 Ų | 57.8 | 13% | 0.127 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 172.1 | 163.5 | 0 | 0 | 0 | 0 | 111.3 | I571 H574 A575 E578 G580 L584 S585 L586 | I571-V582 HydrophobicContact CG2-CB 4.36Å; I571-V582 HydrophobicContact CG2-CG1 3.28Å; I571-V582 HydrophobicContact CG2-CG2 4.21Å; H574-V582 HydrophobicContact CB-CG2 4.43Å; A575-V582 HydrophobicContact CB-CG1 4.28Å; E578-V582 WeakPolarHBondContact O-CB 3.3Å; E578-V582 WeakPolarHBondContact O-CG2 3.4Å; E578-V582 PolarHBondContact O-N 2.9Å; G580-V582 VanDerWaalsContact C-N 3.32Å; G580-V582 PolarHBondContact O-N 3.2Å; V582-L584 PolarHBondContact O-N 3.41Å; V582-S585 PolarHBondContact O-N 3.08Å; V582-L586 HydrophobicContact CG1-CD1 4.12Å; V582-L586 PolarHBondContact O-N 3.47Å |
| 583 | G | 67.8 | Low | 65.4 | Low | 20 Ų | 20 | 57.7 Ų | 57.7 | 21% | 0.206 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S579 G580 S585 L586 F587 | S579-G583 PolarHBondContact O-N 3.21Å; G580-G583 PolarHBondContact O-N 3.12Å; G580-G583 VanDerWaalsContact O-N 3.17Å; G583-S585 VanDerWaalsContact C-N 3.34Å; G583-S585 PolarHBondContact O-N 3.03Å; G583-L586 PolarHBondContact O-N 3.38Å; G583-F587 WeakPolarHBondContact O-CB 3.29Å; G583-F587 PolarHBondContact O-N 3.35Å |
| 584 | L | 69.1 | Low | 65.9 | Low | 21 Ų | 21 | 53.2 Ų | 53.2 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 176.1 | -175.7 | 62.1 | 0 | 0 | 0 | 112.3 | D410 G580 T581 V582 F587 Y588 | D410-L584 HydrophobicContact CB-CD1 3.77Å; G580-L584 PolarHBondContact O-N 2.91Å; T581-L584 PolarHBondContact O-N 3.37Å; V582-L584 PolarHBondContact O-N 3.41Å; L584-F587 PolarHBondContact O-N 3.39Å; L584-Y588 HydrophobicContact CD1-CD2 4.01Å; L584-Y588 HydrophobicContact CD1-CE2 3.46Å; L584-Y588 VanDerWaalsContact CD1-CE2 3.46Å; L584-Y588 HydrophobicContact CD2-CE2 4.11Å; L584-Y588 HydrophobicContact CG-CD2 3.94Å; L584-Y588 HydrophobicContact CG-CE2 3.62Å; L584-Y588 WeakPolarHBondContact O-CD2 3.47Å; L584-Y588 PolarHBondContact O-N 3.1Å |
| 585 | S | 69.7 | Low | 66.3 | Low | 75 Ų | 75 | 50.8 Ų | 50.8 | 52% | 0.524 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.1 | -45 | 178.9 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | T581 V582 G583 F587 Y588 A589 | T581-S585 WeakPolarHBondContact O-CB 3.45Å; T581-S585 PolarHBondContact O-N 3.1Å; T581-S585 PolarHBondContact O-OG 3.05Å; V582-S585 PolarHBondContact O-N 3.08Å; G583-S585 VanDerWaalsContact C-N 3.34Å; G583-S585 PolarHBondContact O-N 3.03Å; S585-F587 VanDerWaalsContact C-N 3.34Å; S585-F587 PolarHBondContact O-N 3.23Å; S585-Y588 PolarHBondContact O-N 3.41Å; S585-A589 WeakPolarHBondContact O-CB 3.43Å; S585-A589 PolarHBondContact O-N 3.22Å |
| 586 | L | 68.7 | Low | 66.8 | Low | 87 Ų | 87 | 50.9 Ų | 50.9 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 175.1 | -73.1 | 171 | 0 | 0 | 0 | 112 | I571 V582 G583 A589 S590 | I571-L586 HydrophobicContact CD1-CD2 4.37Å; I571-L586 HydrophobicContact CG2-CD1 4.46Å; V582-L586 HydrophobicContact CG1-CD1 4.12Å; V582-L586 PolarHBondContact O-N 3.47Å; G583-L586 PolarHBondContact O-N 3.38Å; L586-A589 PolarHBondContact O-N 3.35Å; L586-S590 WeakPolarHBondContact O-CB 3.22Å; L586-S590 PolarHBondContact O-N 2.88Å; L586-S590 PolarHBondContact O-OG 3.5Å |
| 587 | F | 69.6 | Low | 67.5 | Low | 45 Ų | 45 | 50 Ų | 50 | 20% | 0.197 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 174.8 | 173.9 | -99.5 | 0 | 0 | 0 | 112.1 | N99 G583 L584 S585 S590 S591 | N99-F587 HydrophobicContact CB-CE2 3.96Å; N99-F587 HydrophobicContact CB-CZ 4.04Å; N99-F587 VanDerWaalsContact ND2-CE2 3.33Å; N99-F587 WeakPolarHBondContact ND2-CE2 3.32Å; N99-F587 WeakPolarHBondContact ND2-CZ 3.49Å; G583-F587 WeakPolarHBondContact O-CB 3.29Å; G583-F587 PolarHBondContact O-N 3.35Å; L584-F587 PolarHBondContact O-N 3.39Å; S585-F587 VanDerWaalsContact C-N 3.34Å; S585-F587 PolarHBondContact O-N 3.23Å; F587-S590 PolarHBondContact O-OG 3.23Å; F587-S591 VanDerWaalsContact O-CB 3.29Å; F587-S591 WeakPolarHBondContact O-CB 3.47Å; F587-S591 PolarHBondContact O-N 2.88Å; F587-S591 VanDerWaalsContact O-N 3.08Å; F587-S591 PolarHBondContact O-OG 3.31Å |
| 588 | Y | 71 | Confident | 68.1 | Low | 53 Ų | 53 | 48.4 Ų | 48.4 | 21% | 0.208 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.7 | -38.4 | 176.3 | -74.9 | -46.9 | 0 | 0 | 0 | 112.8 | D410 L584 S585 S591 L592 | D410-Y588 VanDerWaalsContact CB-OH 3.27Å; D410-Y588 WeakPolarHBondContact CB-OH 3.12Å; D410-Y588 PolarHBondContact OD2-OH 2.74Å; L584-Y588 HydrophobicContact CD1-CD2 4.01Å; L584-Y588 HydrophobicContact CD1-CE2 3.46Å; L584-Y588 VanDerWaalsContact CD1-CE2 3.46Å; L584-Y588 HydrophobicContact CD2-CE2 4.11Å; L584-Y588 HydrophobicContact CG-CD2 3.94Å; L584-Y588 HydrophobicContact CG-CE2 3.62Å; L584-Y588 WeakPolarHBondContact O-CD2 3.47Å; L584-Y588 PolarHBondContact O-N 3.1Å; S585-Y588 PolarHBondContact O-N 3.41Å; Y588-S591 PolarHBondContact O-N 3.17Å; Y588-L592 WeakPolarHBondContact O-CB 3.39Å; Y588-L592 PolarHBondContact O-N 2.92Å |
| 589 | A | 69.3 | Low | 68.1 | Low | 59 Ų | 59 | 44.7 Ų | 44.7 | 49% | 0.488 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S585 L586 L592 | S585-A589 WeakPolarHBondContact O-CB 3.43Å; S585-A589 PolarHBondContact O-N 3.22Å; L586-A589 PolarHBondContact O-N 3.35Å; A589-L592 WeakPolarHBondContact O-CB 3.44Å; A589-L592 PolarHBondContact O-N 3.28Å |
| 590 | S | 68.6 | Low | 68.2 | Low | 78 Ų | 78 | 47 Ų | 47 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 177.1 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | L586 F587 L592 | L586-S590 WeakPolarHBondContact O-CB 3.22Å; L586-S590 PolarHBondContact O-N 2.88Å; L586-S590 PolarHBondContact O-OG 3.5Å; F587-S590 PolarHBondContact O-OG 3.23Å; S590-L592 VanDerWaalsContact C-N 3.3Å; S590-L592 PolarHBondContact O-N 2.98Å |
| 591 | S | 68.9 | Low | 68.3 | Low | 19 Ų | 19 | 55.5 Ų | 55.5 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.4 | -32.6 | 177.1 | -63.7 | 0 | 0 | 0 | 0 | 112.5 | F587 Y588 T593 G594 F595 | F587-S591 VanDerWaalsContact O-CB 3.29Å; F587-S591 WeakPolarHBondContact O-CB 3.47Å; F587-S591 PolarHBondContact O-N 2.88Å; F587-S591 VanDerWaalsContact O-N 3.08Å; F587-S591 PolarHBondContact O-OG 3.31Å; Y588-S591 PolarHBondContact O-N 3.17Å; S591-T593 VanDerWaalsContact C-N 3.33Å; S591-T593 PolarHBondContact O-N 3.32Å; S591-G594 PolarHBondContact O-N 3.33Å; S591-F595 WeakPolarHBondContact O-CD2 3.13Å; S591-F595 PolarHBondContact O-N 2.76Å |
| 592 | L | 67.5 | Low | 68.4 | Low | 53 Ų | 53 | 54.4 Ų | 54.4 | 28% | 0.277 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.5 | -42.8 | -176.7 | -179.5 | 65.2 | 0 | 0 | 0 | 112.4 | L535 Y588 A589 S590 G594 F595 L596 | L535-L592 HydrophobicContact CD1-CD1 3.91Å; L535-L592 HydrophobicContact CD1-CD2 3.7Å; L535-L592 HydrophobicContact CD1-CG 4.45Å; Y588-L592 WeakPolarHBondContact O-CB 3.39Å; Y588-L592 PolarHBondContact O-N 2.92Å; A589-L592 WeakPolarHBondContact O-CB 3.44Å; A589-L592 PolarHBondContact O-N 3.28Å; S590-L592 VanDerWaalsContact C-N 3.3Å; S590-L592 PolarHBondContact O-N 2.98Å; L592-G594 PolarHBondContact O-N 3.13Å; L592-F595 PolarHBondContact O-N 3.44Å; L592-L596 HydrophobicContact CD1-CD1 4.16Å; L592-L596 HydrophobicContact CD1-CG 4.09Å; L592-L596 HydrophobicContact CD2-CD1 4.5Å; L592-L596 HydrophobicContact CG-CD1 3.93Å; L592-L596 HydrophobicContact CG-CG 4.29Å; L592-L596 WeakPolarHBondContact O-CB 3.24Å; L592-L596 WeakPolarHBondContact O-CG 3.28Å; L592-L596 PolarHBondContact O-N 3.05Å |
| 593 | T | 69.6 | Low | 68.5 | Low | 60 Ų | 60 | 54.9 Ų | 54.9 | 37% | 0.368 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | -177.8 | -39.2 | 0 | 0 | 0 | 0 | 111.7 | L557 S591 Q597 | L557-T593 HydrophobicContact CD1-CG2 3.88Å; S591-T593 VanDerWaalsContact C-N 3.33Å; S591-T593 PolarHBondContact O-N 3.32Å; T593-Q597 PolarHBondContact O-N 3.15Å |
| 594 | G | 67.2 | Low | 68.7 | Low | 43 Ų | 43 | 57.4 Ų | 57.4 | 44% | 0.443 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.9 | -39 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S591 L592 F598 | S591-G594 PolarHBondContact O-N 3.33Å; L592-G594 PolarHBondContact O-N 3.13Å; G594-F598 PolarHBondContact O-N 3.14Å; G594-F598 VanDerWaalsContact O-N 3.14Å |
| 595 | F | 66.8 | Low | 68.8 | Low | 57 Ų | 57 | 59.9 Ų | 59.9 | 25% | 0.25 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 176.3 | -79.4 | -60.8 | 0 | 0 | 0 | 112.9 | S591 L592 F598 M599 | S591-F595 WeakPolarHBondContact O-CD2 3.13Å; S591-F595 PolarHBondContact O-N 2.76Å; L592-F595 PolarHBondContact O-N 3.44Å; F595-F598 PolarHBondContact O-N 3.28Å; F595-M599 VanDerWaalsContact O-CB 3.32Å; F595-M599 WeakPolarHBondContact O-CB 2.66Å; F595-M599 VanDerWaalsContact O-CG 3.28Å; F595-M599 WeakPolarHBondContact O-CG 3.47Å; F595-M599 PolarHBondContact O-N 2.89Å |
| 596 | L | 65.4 | Low | 69 | Low | 39 Ų | 39 | 56.4 Ų | 56.4 | 20% | 0.204 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 178 | -76.9 | 172.7 | 0 | 0 | 0 | 112.1 | L592 M599 L600 | L592-L596 HydrophobicContact CD1-CD1 4.16Å; L592-L596 HydrophobicContact CD1-CG 4.09Å; L592-L596 HydrophobicContact CD2-CD1 4.5Å; L592-L596 HydrophobicContact CG-CD1 3.93Å; L592-L596 HydrophobicContact CG-CG 4.29Å; L592-L596 WeakPolarHBondContact O-CB 3.24Å; L592-L596 WeakPolarHBondContact O-CG 3.28Å; L592-L596 PolarHBondContact O-N 3.05Å; L596-M599 WeakPolarHBondContact O-CB 2.84Å; L596-M599 PolarHBondContact O-N 3.29Å; L596-L600 WeakPolarHBondContact O-CG 3.25Å; L596-L600 PolarHBondContact O-N 2.93Å |
| 597 | Q | 69.5 | Low | 69.4 | Low | 87 Ų | 87 | 56 Ų | 56 | 41% | 0.407 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 175.1 | -72.8 | -179.8 | -17.2 | 0 | 0 | 111.8 | L553 T593 M599 L600 R601 | L553-Q597 HydrophobicContact CD2-CG 4.3Å; T593-Q597 PolarHBondContact O-N 3.15Å; Q597-M599 VanDerWaalsContact C-N 3.32Å; Q597-M599 PolarHBondContact O-N 3.37Å; Q597-L600 PolarHBondContact O-N 3.18Å; Q597-R601 PolarHBondContact O-N 3.47Å |
| 598 | F | 67.3 | Low | 69.7 | Low | 44 Ų | 44 | 58.9 Ų | 58.9 | 19% | 0.193 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.9 | -42 | 176.4 | -176 | -100.7 | 0 | 0 | 0 | 111.7 | Y524 S528 G594 F595 R601 Q602 | Y524-F598 HydrophobicContact CD1-CZ 4.06Å; S528-F598 VanDerWaalsContact OG-CD1 3.24Å; S528-F598 WeakPolarHBondContact OG-CD1 3.29Å; S528-F598 WeakPolarHBondContact OG-CE1 3.32Å; G594-F598 PolarHBondContact O-N 3.14Å; G594-F598 VanDerWaalsContact O-N 3.14Å; F595-F598 PolarHBondContact O-N 3.28Å; F598-R601 PolarHBondContact O-N 2.93Å; F598-Q602 HydrophobicContact CD1-CG 4.1Å; F598-Q602 HydrophobicContact CE1-CG 3.66Å; F598-Q602 HydrophobicContact CE2-CG 4.2Å; F598-Q602 HydrophobicContact CZ-CG 3.71Å; F598-Q602 WeakPolarHBondContact O-CG 3.43Å; F598-Q602 PolarHBondContact O-N 3.33Å |
| 599 | M | 64.9 | Low | 70.1 | Confident | 15 Ų | 15 | 58.9 Ų | 58.9 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.3 | -50.4 | 175.8 | -89.3 | -102.1 | 37.1 | 0 | 0 | 113.7 | Y525 S528 A529 L532 F595 L596 Q597 Q602 S603 | Y525-M599 HydrophobicContact CE2-CE 4.39Å; S528-M599 VanDerWaalsContact CB-CE 3.41Å; S528-M599 WeakPolarHBondContact CB-SD 3.35Å; A529-M599 HydrophobicContact CB-CE 4.47Å; A529-M599 PolarHBondContact N-SD 3.15Å; A529-M599 VanDerWaalsContact N-SD 3.4Å; L532-M599 HydrophobicContact CB-SD 4.1Å; L532-M599 HydrophobicContact CD1-SD 4.26Å; F595-M599 VanDerWaalsContact O-CB 3.32Å; F595-M599 WeakPolarHBondContact O-CB 2.66Å; F595-M599 VanDerWaalsContact O-CG 3.28Å; F595-M599 WeakPolarHBondContact O-CG 3.47Å; F595-M599 PolarHBondContact O-N 2.89Å; L596-M599 WeakPolarHBondContact O-CB 2.84Å; L596-M599 PolarHBondContact O-N 3.29Å; Q597-M599 VanDerWaalsContact C-N 3.32Å; Q597-M599 PolarHBondContact O-N 3.37Å; M599-Q602 PolarHBondContact O-N 3.28Å; M599-S603 WeakPolarHBondContact O-CB 3.39Å; M599-S603 PolarHBondContact O-N 3.21Å |
| 600 | L | 67.5 | Low | 70.7 | Confident | 75 Ų | 75 | 56 Ų | 56 | 39% | 0.393 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.2 | -46.9 | -178.3 | -73.6 | 169.2 | 0 | 0 | 0 | 110.8 | L553 L596 Q597 Q602 S603 T604 | L553-L600 HydrophobicContact CD2-CD1 4.29Å; L596-L600 WeakPolarHBondContact O-CG 3.25Å; L596-L600 PolarHBondContact O-N 2.93Å; Q597-L600 PolarHBondContact O-N 3.18Å; L600-Q602 PolarHBondContact O-N 2.78Å; L600-S603 WeakPolarHBondContact O-CB 3.18Å; L600-S603 PolarHBondContact O-N 2.95Å; L600-S603 VanDerWaalsContact O-N 3.14Å; L600-T604 PolarHBondContact O-N 2.8Å; L600-T604 PolarHBondContact O-OG1 2.94Å |
| 601 | R | 69.4 | Low | 71.3 | Confident | 178 Ų | 178 | 55.2 Ų | 55.2 | 67% | 0.672 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58.2 | -48.2 | 176.2 | -178.1 | 179.7 | -78.1 | -172.7 | -5.6 | 111.7 | Q597 F598 S603 T604 E605 | Q597-R601 PolarHBondContact O-N 3.47Å; F598-R601 PolarHBondContact O-N 2.93Å; R601-S603 VanDerWaalsContact C-N 3.27Å; R601-S603 PolarHBondContact O-N 3.28Å; R601-T604 PolarHBondContact O-N 3.14Å; R601-E605 WeakPolarHBondContact O-CG 3.48Å; R601-E605 PolarHBondContact O-N 2.77Å |
| 602 | Q | 70 | Confident | 71.9 | Confident | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.065 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.4 | -28.6 | 178.7 | -65.8 | -42.1 | 126.8 | 0 | 0 | 113.2 | F598 M599 L600 E605 V606 | F598-Q602 HydrophobicContact CD1-CG 4.1Å; F598-Q602 HydrophobicContact CE1-CG 3.66Å; F598-Q602 HydrophobicContact CE2-CG 4.2Å; F598-Q602 HydrophobicContact CZ-CG 3.71Å; F598-Q602 WeakPolarHBondContact O-CG 3.43Å; F598-Q602 PolarHBondContact O-N 3.33Å; M599-Q602 PolarHBondContact O-N 3.28Å; L600-Q602 PolarHBondContact O-N 2.78Å; Q602-E605 PolarHBondContact NE2-OE2 2.75Å; Q602-V606 PolarHBondContact O-N 2.8Å; Q602-V606 VanDerWaalsContact O-N 3.1Å |
| 603 | S | 70.5 | Confident | 72.8 | Confident | 30 Ų | 30 | 52.1 Ų | 52.1 | 21% | 0.21 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.2 | -48.5 | 175.1 | -165.6 | 0 | 0 | 0 | 0 | 111.1 | M599 L600 R601 E605 V606 E607 | M599-S603 WeakPolarHBondContact O-CB 3.39Å; M599-S603 PolarHBondContact O-N 3.21Å; L600-S603 WeakPolarHBondContact O-CB 3.18Å; L600-S603 PolarHBondContact O-N 2.95Å; L600-S603 VanDerWaalsContact O-N 3.14Å; R601-S603 VanDerWaalsContact C-N 3.27Å; R601-S603 PolarHBondContact O-N 3.28Å; S603-E605 VanDerWaalsContact C-N 3.32Å; S603-E605 PolarHBondContact O-N 3.42Å; S603-V606 PolarHBondContact O-N 2.74Å; S603-E607 WeakPolarHBondContact O-CB 3.49Å; S603-E607 PolarHBondContact O-N 3.5Å |
| 604 | T | 71.9 | Confident | 73.6 | Confident | 74 Ų | 74 | 50.5 Ų | 50.5 | 45% | 0.454 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 176.9 | -50 | 0 | 0 | 0 | 0 | 111.4 | L600 R601 V606 E607 N608 | L600-T604 PolarHBondContact O-N 2.8Å; L600-T604 PolarHBondContact O-OG1 2.94Å; R601-T604 PolarHBondContact O-N 3.14Å; T604-V606 PolarHBondContact O-N 2.63Å; T604-E607 PolarHBondContact O-N 3.23Å; T604-N608 WeakPolarHBondContact O-CB 3.46Å; T604-N608 PolarHBondContact O-N 3.26Å; T604-N608 PolarHBondContact O-ND2 3.3Å |
| 605 | E | 71.2 | Confident | 74.4 | Confident | 73 Ų | 73 | 49.9 Ų | 49.9 | 34% | 0.341 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.2 | -42.7 | 176.1 | -75.8 | 179.1 | -176 | 0 | 0 | 112.6 | R601 Q602 S603 M609 | R601-E605 WeakPolarHBondContact O-CG 3.48Å; R601-E605 PolarHBondContact O-N 2.77Å; Q602-E605 PolarHBondContact NE2-OE2 2.75Å; S603-E605 VanDerWaalsContact C-N 3.32Å; S603-E605 PolarHBondContact O-N 3.42Å; E605-M609 WeakPolarHBondContact O-CG 3.31Å; E605-M609 PolarHBondContact O-N 3.42Å; E605-M609 VanDerWaalsContact O-N 3.11Å |
| 606 | V | 75.4 | Confident | 75.4 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.8 | -40.4 | 177.2 | 159.5 | 0 | 0 | 0 | 0 | 111.9 | Y379 W522 Y525 Q602 S603 T604 M609 M610 | Y379-V606 HydrophobicContact CE1-CG1 4.22Å; W522-V606 HydrophobicContact CE3-CG1 3.55Å; W522-V606 HydrophobicContact CE3-CG2 4.22Å; W522-V606 HydrophobicContact CH2-CG1 4.42Å; W522-V606 HydrophobicContact CZ3-CG1 3.32Å; Y525-V606 HydrophobicContact CD1-CG1 4.46Å; Y525-V606 HydrophobicContact CD2-CB 4.16Å; Y525-V606 HydrophobicContact CD2-CG1 4.47Å; Y525-V606 HydrophobicContact CD2-CG2 4.25Å; Y525-V606 HydrophobicContact CG-CB 4.15Å; Y525-V606 HydrophobicContact CG-CG1 4.26Å; Y525-V606 HydrophobicContact CG-CG2 3.87Å; Q602-V606 PolarHBondContact O-N 2.8Å; Q602-V606 VanDerWaalsContact O-N 3.1Å; S603-V606 PolarHBondContact O-N 2.74Å; T604-V606 PolarHBondContact O-N 2.63Å; V606-M609 PolarHBondContact O-N 2.93Å; V606-M610 HydrophobicContact CG1-CG 4.08Å; V606-M610 WeakPolarHBondContact O-CB 3.49Å; V606-M610 WeakPolarHBondContact O-CG 3.18Å; V606-M610 PolarHBondContact O-N 2.82Å |
| 607 | E | 77.1 | Confident | 76.5 | Confident | 78 Ų | 78 | 46.2 Ų | 46.2 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.7 | -46.7 | 175.7 | -174.3 | 173.5 | -170.6 | 0 | 0 | 111.2 | S603 T604 M609 M610 V611 | S603-E607 WeakPolarHBondContact O-CB 3.49Å; S603-E607 PolarHBondContact O-N 3.5Å; T604-E607 PolarHBondContact O-N 3.23Å; E607-M609 VanDerWaalsContact C-N 3.31Å; E607-M609 PolarHBondContact O-N 3.43Å; E607-M610 WeakPolarHBondContact O-CB 3.16Å; E607-M610 PolarHBondContact O-N 3.16Å; E607-M610 VanDerWaalsContact O-N 3.12Å; E607-V611 PolarHBondContact O-N 3.37Å |
| 608 | N | 75.7 | Confident | 77.4 | Confident | 107 Ų | 107 | 45.3 Ų | 45.3 | 57% | 0.572 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -58.8 | -41 | 175.8 | -71.5 | -15.5 | 0 | 0 | 0 | 112.4 | T604 | T604-N608 WeakPolarHBondContact O-CB 3.46Å; T604-N608 PolarHBondContact O-N 3.26Å; T604-N608 PolarHBondContact O-ND2 3.3Å |
| 609 | M | 77.7 | Confident | 78.4 | Confident | 52 Ų | 52 | 44.1 Ų | 44.1 | 26% | 0.256 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -74.3 | -27.7 | 177.7 | -68.5 | -177.5 | -178.1 | 0 | 0 | 113.1 | L518 S521 E605 V606 E607 V611 S612 | L518-M609 HydrophobicContact CB-CB 4.41Å; L518-M609 HydrophobicContact CD1-CB 3.69Å; L518-M609 HydrophobicContact CD1-SD 4.48Å; S521-M609 WeakPolarHBondContact CB-SD 3.17Å; S521-M609 WeakPolarHBondContact OG-CE 3.3Å; S521-M609 PolarHBondContact OG-SD 2.95Å; E605-M609 WeakPolarHBondContact O-CG 3.31Å; E605-M609 PolarHBondContact O-N 3.42Å; E605-M609 VanDerWaalsContact O-N 3.11Å; V606-M609 PolarHBondContact O-N 2.93Å; E607-M609 VanDerWaalsContact C-N 3.31Å; E607-M609 PolarHBondContact O-N 3.43Å; M609-V611 VanDerWaalsContact C-N 3.28Å; M609-V611 PolarHBondContact O-N 3.5Å; M609-S612 PolarHBondContact O-N 2.77Å |
| 610 | M | 82.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.5 | -25.7 | 178.7 | -81.5 | -77.8 | 123.1 | 0 | 0 | 113 | V374 Y379 Y382 L518 W522 V606 E607 S612 V613 E614 | V374-M610 HydrophobicContact CB-CB 4.38Å; V374-M610 HydrophobicContact CG1-CB 4.07Å; V374-M610 HydrophobicContact CG2-CB 3.9Å; Y379-M610 HydrophobicContact CD1-CG 4.09Å; Y379-M610 HydrophobicContact CD1-SD 3.85Å; Y379-M610 HydrophobicContact CE1-CB 4.35Å; Y379-M610 HydrophobicContact CE1-CG 3.49Å; Y379-M610 VanDerWaalsContact CE1-CG 3.49Å; Y379-M610 HydrophobicContact CE1-SD 3.91Å; Y379-M610 HydrophobicContact CG-SD 4.39Å; Y382-M610 HydrophobicContact CD1-CE 4.2Å; Y382-M610 HydrophobicContact CD2-CE 4.49Å; Y382-M610 HydrophobicContact CE1-CE 4.44Å; Y382-M610 HydrophobicContact CG-CE 4.24Å; L518-M610 HydrophobicContact CD1-CE 3.45Å; L518-M610 VanDerWaalsContact CD1-CE 3.45Å; L518-M610 HydrophobicContact CD2-CE 3.19Å; L518-M610 HydrophobicContact CG-CE 3.86Å; W522-M610 HydrophobicContact CE3-CE 4.08Å; W522-M610 HydrophobicContact CZ3-CE 3.99Å; W522-M610 HydrophobicContact CZ3-SD 4.43Å; V606-M610 HydrophobicContact CG1-CG 4.08Å; V606-M610 WeakPolarHBondContact O-CB 3.49Å; V606-M610 WeakPolarHBondContact O-CG 3.18Å; V606-M610 PolarHBondContact O-N 2.82Å; E607-M610 WeakPolarHBondContact O-CB 3.16Å; E607-M610 PolarHBondContact O-N 3.16Å; E607-M610 VanDerWaalsContact O-N 3.12Å; M610-S612 PolarHBondContact O-N 3.45Å; M610-V613 HydrophobicContact CE-CB 4.35Å; M610-V613 HydrophobicContact CE-CG2 3.79Å; M610-V613 WeakPolarHBondContact O-CA 3.4Å; M610-V613 WeakPolarHBondContact O-CB 3.46Å; M610-V613 PolarHBondContact O-N 2.83Å; M610-V613 HydrophobicContact SD-CB 4.31Å; M610-V613 HydrophobicContact SD-CG2 4.36Å; M610-E614 PolarHBondContact O-N 3.32Å |
| 611 | V | 80.9 | Confident | 80.4 | Confident | 60 Ų | 60 | 47.1 Ų | 47.1 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -54.3 | -40.8 | 171.9 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | V374 E607 M609 V613 E614 R615 | V374-V611 HydrophobicContact CG2-CB 4.4Å; V374-V611 HydrophobicContact CG2-CG2 3.66Å; E607-V611 PolarHBondContact O-N 3.37Å; M609-V611 VanDerWaalsContact C-N 3.28Å; M609-V611 PolarHBondContact O-N 3.5Å; V611-V613 VanDerWaalsContact C-N 3.34Å; V611-V613 PolarHBondContact O-N 3.02Å; V611-E614 WeakPolarHBondContact O-CB 3.48Å; V611-E614 PolarHBondContact O-N 3.2Å; V611-R615 WeakPolarHBondContact O-CG 3.48Å; V611-R615 PolarHBondContact O-N 3.31Å; V611-R615 VanDerWaalsContact O-N 3.17Å |
| 612 | S | 83 | Confident | 81.3 | Confident | 7 Ų | 7 | 40.1 Ų | 40.1 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.7 | -29.4 | 177 | -57.6 | 0 | 0 | 0 | 0 | 113.2 | H514 M609 M610 I616 | H514-S612 PolarHBondContact ND1-OG 3.03Å; M609-S612 PolarHBondContact O-N 2.77Å; M610-S612 PolarHBondContact O-N 3.45Å; S612-I616 VanDerWaalsContact O-CG1 3.26Å; S612-I616 WeakPolarHBondContact O-CG1 3.45Å; S612-I616 PolarHBondContact O-N 2.85Å; S612-I616 VanDerWaalsContact O-N 3.08Å |
| 613 | V | 86.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.5 | -39.2 | 173.9 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | T378 Y382 L484 L515 L518 M610 V611 R615 I616 I617 | T378-V613 HydrophobicContact CG2-CB 4.46Å; T378-V613 HydrophobicContact CG2-CG1 4.25Å; Y382-V613 HydrophobicContact CD2-CG1 3.92Å; Y382-V613 HydrophobicContact CD2-CG2 4.41Å; Y382-V613 HydrophobicContact CG-CG1 4.45Å; L484-V613 HydrophobicContact CD1-CG1 4.38Å; L515-V613 HydrophobicContact CD1-CG2 4.08Å; L518-V613 HydrophobicContact CD2-CG2 3.33Å; M610-V613 HydrophobicContact CE-CB 4.35Å; M610-V613 HydrophobicContact CE-CG2 3.79Å; M610-V613 WeakPolarHBondContact O-CA 3.4Å; M610-V613 WeakPolarHBondContact O-CB 3.46Å; M610-V613 PolarHBondContact O-N 2.83Å; M610-V613 HydrophobicContact SD-CB 4.31Å; M610-V613 HydrophobicContact SD-CG2 4.36Å; V611-V613 VanDerWaalsContact C-N 3.34Å; V611-V613 PolarHBondContact O-N 3.02Å; V613-R615 VanDerWaalsContact C-N 3.34Å; V613-I616 PolarHBondContact O-N 3.16Å; V613-I617 HydrophobicContact CG1-CD1 3.79Å; V613-I617 HydrophobicContact CG1-CG1 4.35Å; V613-I617 VanDerWaalsContact O-CG1 3.31Å; V613-I617 WeakPolarHBondContact O-CG1 3.43Å; V613-I617 PolarHBondContact O-N 3.38Å |
| 614 | E | 85.7 | Confident | 82.9 | Confident | 26 Ų | 26 | 47.6 Ų | 47.6 | 12% | 0.121 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57 | -49.4 | 174.7 | -167.7 | 153.7 | -127 | 0 | 0 | 110.7 | S375 T378 M610 V611 I616 I617 E618 | S375-E614 PolarHBondContact N-OE1 3.48Å; T378-E614 HydrophobicContact CG2-CB 3.83Å; T378-E614 HydrophobicContact CG2-CG 4.34Å; T378-E614 PolarHBondContact OG1-OE1 2.99Å; M610-E614 PolarHBondContact O-N 3.32Å; V611-E614 WeakPolarHBondContact O-CB 3.48Å; V611-E614 PolarHBondContact O-N 3.2Å; E614-I616 PolarHBondContact O-N 3.1Å; E614-I617 CarbonylContact O-C 3.55Å; E614-I617 WeakPolarHBondContact O-CA 3.43Å; E614-I617 WeakPolarHBondContact O-CB 3.46Å; E614-I617 PolarHBondContact O-N 3.45Å; E614-E618 WeakPolarHBondContact O-CG 3.44Å; E614-E618 PolarHBondContact O-N 3.44Å |
| 615 | R | 84.5 | Confident | 83.8 | Confident | 31 Ų | 31 | 45.1 Ų | 45.1 | 12% | 0.117 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.5 | -42.2 | 174.3 | -64.5 | -64.9 | -168.9 | -147 | -0.9 | 113.2 | E369 Y511 V611 V613 I617 E618 Y619 | E369-R615 PolarHBondContact O-NH2 2.92Å; Y511-R615 HydrophobicContact CD1-CB 4.23Å; Y511-R615 HydrophobicContact CD1-CG 4.47Å; Y511-R615 HydrophobicContact CD2-CB 3.74Å; Y511-R615 HydrophobicContact CE1-CB 4.07Å; Y511-R615 HydrophobicContact CE1-CG 3.88Å; Y511-R615 HydrophobicContact CE2-CB 3.53Å; Y511-R615 HydrophobicContact CE2-CG 3.9Å; Y511-R615 HydrophobicContact CG-CB 4.08Å; V611-R615 WeakPolarHBondContact O-CG 3.48Å; V611-R615 PolarHBondContact O-N 3.31Å; V611-R615 VanDerWaalsContact O-N 3.17Å; V613-R615 VanDerWaalsContact C-N 3.34Å; R615-I617 VanDerWaalsContact C-N 3.3Å; R615-I617 PolarHBondContact O-N 2.99Å; R615-E618 VanDerWaalsContact CD-OE2 3.29Å; R615-E618 WeakPolarHBondContact CD-OE2 3.33Å; R615-E618 IonicContact CZ-OE2 2.7Å; R615-E618 IonicContact NH1-OE1 2.9Å; R615-E618 IonicContact NH1-OE2 3.28Å; R615-E618 PolarHBondContact NH1-OE2 3.41Å; R615-E618 WeakPolarHBondContact O-CB 3.5Å; R615-E618 PolarHBondContact O-N 3.48Å; R615-Y619 WeakPolarHBondContact O-CD2 3.46Å; R615-Y619 PolarHBondContact O-N 2.88Å |
| 616 | I | 87.3 | Confident | 84.6 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -37.5 | 175.3 | -71.4 | 171.2 | 0 | 0 | 0 | 111.6 | L484 M488 L515 S612 V613 E614 Y619 G620 | L484-I616 HydrophobicContact CB-CG2 4.26Å; M488-I616 HydrophobicContact CB-CG2 3.77Å; M488-I616 HydrophobicContact CG-CG2 4Å; L515-I616 HydrophobicContact CB-CD1 3.66Å; L515-I616 HydrophobicContact CD1-CD1 4.46Å; L515-I616 HydrophobicContact CD2-CD1 3.8Å; L515-I616 HydrophobicContact CG-CD1 4.17Å; S612-I616 VanDerWaalsContact O-CG1 3.26Å; S612-I616 WeakPolarHBondContact O-CG1 3.45Å; S612-I616 PolarHBondContact O-N 2.85Å; S612-I616 VanDerWaalsContact O-N 3.08Å; V613-I616 PolarHBondContact O-N 3.16Å; E614-I616 PolarHBondContact O-N 3.1Å; I616-Y619 PolarHBondContact O-N 2.75Å; I616-G620 PolarHBondContact O-N 2.91Å |
| 617 | I | 89.2 | Confident | 85.4 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 9% | 0.087 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.6 | -37.8 | 176.9 | -70.6 | 167.2 | 0 | 0 | 0 | 110.9 | T378 T381 L484 V613 E614 R615 G620 K621 | T378-I617 HydrophobicContact CG2-CD1 4.06Å; T381-I617 HydrophobicContact CG2-CD1 3.76Å; T381-I617 HydrophobicContact CG2-CG1 4.26Å; T381-I617 HydrophobicContact CG2-CG2 4.49Å; L484-I617 HydrophobicContact CD2-CG1 3.99Å; V613-I617 HydrophobicContact CG1-CD1 3.79Å; V613-I617 HydrophobicContact CG1-CG1 4.35Å; V613-I617 VanDerWaalsContact O-CG1 3.31Å; V613-I617 WeakPolarHBondContact O-CG1 3.43Å; V613-I617 PolarHBondContact O-N 3.38Å; E614-I617 CarbonylContact O-C 3.55Å; E614-I617 WeakPolarHBondContact O-CA 3.43Å; E614-I617 WeakPolarHBondContact O-CB 3.46Å; E614-I617 PolarHBondContact O-N 3.45Å; R615-I617 VanDerWaalsContact C-N 3.3Å; R615-I617 PolarHBondContact O-N 2.99Å; I617-G620 CarbonylContact O-C 3.51Å; I617-G620 WeakPolarHBondContact O-CA 3.22Å; I617-G620 PolarHBondContact O-N 2.62Å; I617-K621 WeakPolarHBondContact O-CG 3.42Å; I617-K621 PolarHBondContact O-N 2.87Å |
| 618 | E | 87.5 | Confident | 85.9 | Confident | 68 Ų | 68 | 47.8 Ų | 47.8 | 32% | 0.318 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.8 | -48.4 | 171.6 | -72.8 | 170.4 | -174.9 | 0 | 0 | 110.6 | E614 R615 G620 K621 L622 | E614-E618 WeakPolarHBondContact O-CG 3.44Å; E614-E618 PolarHBondContact O-N 3.44Å; R615-E618 VanDerWaalsContact CD-OE2 3.29Å; R615-E618 WeakPolarHBondContact CD-OE2 3.33Å; R615-E618 IonicContact CZ-OE2 2.7Å; R615-E618 IonicContact NH1-OE1 2.9Å; R615-E618 IonicContact NH1-OE2 3.28Å; R615-E618 PolarHBondContact NH1-OE2 3.41Å; R615-E618 WeakPolarHBondContact O-CB 3.5Å; R615-E618 PolarHBondContact O-N 3.48Å; E618-G620 VanDerWaalsContact C-N 3.26Å; E618-G620 PolarHBondContact O-N 2.9Å; E618-K621 WeakPolarHBondContact O-CA 3.4Å; E618-K621 WeakPolarHBondContact O-CB 3.21Å; E618-K621 PolarHBondContact O-N 3.15Å; E618-L622 PolarHBondContact O-N 3.39Å |
| 619 | Y | 88.2 | Confident | 86.6 | Confident | 19 Ų | 19 | 47 Ų | 47 | 8% | 0.075 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.9 | -32.5 | 174.3 | -66 | -30.5 | 0 | 0 | 0 | 113.2 | M488 H491 F499 I508 Y511 R615 I616 K621 L622 | M488-Y619 HydrophobicContact CG-CD2 4.39Å; H491-Y619 VanDerWaalsContact CB-O 3.27Å; H491-Y619 WeakPolarHBondContact CB-O 3.4Å; F499-Y619 HydrophobicContact CE2-CD1 4.12Å; F499-Y619 AromaticContact CE2-CE1 3.94Å; F499-Y619 HydrophobicContact CE2-CE1 3.94Å; F499-Y619 AromaticContact CZ-CD1 3.98Å; F499-Y619 HydrophobicContact CZ-CD1 3.98Å; F499-Y619 AromaticContact CZ-CE1 3.85Å; F499-Y619 HydrophobicContact CZ-CE1 3.85Å; I508-Y619 HydrophobicContact CB-CE2 4.42Å; I508-Y619 HydrophobicContact CG1-CD2 4.43Å; I508-Y619 HydrophobicContact CG1-CE2 3.74Å; Y511-Y619 HydrophobicContact CD2-CD2 4.41Å; Y511-Y619 AromaticContact CD2-CE2 3.67Å; Y511-Y619 HydrophobicContact CD2-CE2 3.67Å; Y511-Y619 AromaticContact CE2-CE2 3.69Å; Y511-Y619 HydrophobicContact CE2-CE2 3.69Å; R615-Y619 WeakPolarHBondContact O-CD2 3.46Å; R615-Y619 PolarHBondContact O-N 2.88Å; I616-Y619 PolarHBondContact O-N 2.75Å; Y619-K621 PolarHBondContact O-N 3.46Å; Y619-K621 VanDerWaalsContact O-N 3.15Å; Y619-L622 HydrophobicContact CD1-CD1 3.95Å; Y619-L622 HydrophobicContact CD1-CD2 4.5Å; Y619-L622 HydrophobicContact CD1-CG 4.37Å; Y619-L622 HydrophobicContact CG-CD1 4.42Å; Y619-L622 WeakPolarHBondContact O-CD1 3.31Å; Y619-L622 WeakPolarHBondContact O-CG 3.29Å; Y619-L622 PolarHBondContact O-N 3.19Å |
| 620 | G | 87.7 | Confident | 87 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -0.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | H491 I616 I617 E618 | H491-G620 PolarHBondContact CD2-O 3.13Å; H491-G620 PolarHBondContact NE2-O 3.43Å; I616-G620 PolarHBondContact O-N 2.91Å; I617-G620 CarbonylContact O-C 3.51Å; I617-G620 WeakPolarHBondContact O-CA 3.22Å; I617-G620 PolarHBondContact O-N 2.62Å; E618-G620 VanDerWaalsContact C-N 3.26Å; E618-G620 PolarHBondContact O-N 2.9Å |
| 621 | K | 87.9 | Confident | 87.1 | Confident | 149 Ų | 149 | 50.4 Ų | 50.4 | 65% | 0.648 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.8 | 7.8 | 176.3 | -65 | 171.8 | -174.6 | 170.7 | 0 | 113 | I617 E618 Y619 | I617-K621 WeakPolarHBondContact O-CG 3.42Å; I617-K621 PolarHBondContact O-N 2.87Å; E618-K621 WeakPolarHBondContact O-CA 3.4Å; E618-K621 WeakPolarHBondContact O-CB 3.21Å; E618-K621 PolarHBondContact O-N 3.15Å; Y619-K621 PolarHBondContact O-N 3.46Å; Y619-K621 VanDerWaalsContact O-N 3.15Å |
| 622 | L | 87.7 | Confident | 87.3 | Confident | 30 Ų | 30 | 54.5 Ų | 54.5 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 142.6 | 178.5 | -74.4 | 165.9 | 0 | 0 | 0 | 111.2 | V492 A495 F499 E618 Y619 K624 | V492-L622 HydrophobicContact CG2-CD1 4.08Å; A495-L622 HydrophobicContact CB-CD1 4.33Å; F499-L622 HydrophobicContact CD1-CD1 4.48Å; F499-L622 HydrophobicContact CD2-CD1 3.99Å; F499-L622 HydrophobicContact CD2-CD2 3.77Å; F499-L622 HydrophobicContact CE1-CD1 4.08Å; F499-L622 HydrophobicContact CE2-CD1 3.54Å; F499-L622 HydrophobicContact CE2-CD2 3.64Å; F499-L622 HydrophobicContact CE2-CG 4.25Å; F499-L622 HydrophobicContact CG-CD1 4.45Å; F499-L622 HydrophobicContact CZ-CD1 3.59Å; E618-L622 PolarHBondContact O-N 3.39Å; Y619-L622 HydrophobicContact CD1-CD1 3.95Å; Y619-L622 HydrophobicContact CD1-CD2 4.5Å; Y619-L622 HydrophobicContact CD1-CG 4.37Å; Y619-L622 HydrophobicContact CG-CD1 4.42Å; Y619-L622 WeakPolarHBondContact O-CD1 3.31Å; Y619-L622 WeakPolarHBondContact O-CG 3.29Å; Y619-L622 PolarHBondContact O-N 3.19Å; L622-K624 PolarHBondContact O-N 2.92Å |
| 623 | P | 86.5 | Confident | 87.3 | Confident | 106 Ų | 106 | 57.9 Ų | 57.9 | 69% | 0.688 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 127.7 | 171.8 | 27 | -33 | 0 | 0 | 0 | 108.5 | ||
| 624 | K | 87.5 | Confident | 87.1 | Confident | 96 Ų | 96 | 59.7 Ų | 59.7 | 42% | 0.417 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -82 | 151.7 | 176.7 | -59.8 | 179.5 | -175.4 | 179.6 | 0 | 109.1 | H491 R494 L622 | H491-K624 WeakPolarHBondContact CD2-CE 3.28Å; H491-K624 WeakPolarHBondContact NE2-CE 3.44Å; H491-K624 PolarHBondContact NE2-NZ 3.3Å; R494-K624 HydrophobicContact CB-CB 4.44Å; R494-K624 HydrophobicContact CB-CG 4.28Å; L622-K624 PolarHBondContact O-N 2.92Å |
| 625 | E | 90.3 | Very high | 87.1 | Confident | 21 Ų | 21 | 64.6 Ų | 64.6 | 10% | 0.098 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 169.5 | 161.9 | -69.4 | 178.7 | -170.9 | 0 | 0 | 110.8 | K27 R494 A495 S496 L713 R717 | K27-E625 WeakPolarHBondContact CD-OE1 2.84Å; K27-E625 VanDerWaalsContact CE-OE1 3.27Å; K27-E625 WeakPolarHBondContact CE-OE1 3.35Å; K27-E625 VanDerWaalsContact NZ-CD 3.32Å; K27-E625 IonicContact NZ-OE1 3.14Å; K27-E625 PolarHBondContact NZ-OE1 3.03Å; K27-E625 IonicContact NZ-OE2 3.87Å; R494-E625 PolarHBondContact NH2-O 3.19Å; R494-E625 PolarHBondContact O-N 2.8Å; A495-E625 VanDerWaalsContact O-OE1 3.12Å; S496-E625 WeakPolarHBondContact CA-OE1 3.43Å; E625-L713 HydrophobicContact CB-CD1 3.73Å; E625-R717 IonicContact OE2-CZ 2.72Å; E625-R717 IonicContact OE2-NH1 2.75Å; E625-R717 PolarHBondContact OE2-NH1 3.05Å; E625-R717 VanDerWaalsContact OE2-NH1 3.14Å; E625-R717 IonicContact OE2-NH2 3.03Å; E625-R717 PolarHBondContact OE2-NH2 2.89Å |
| 626 | A | 89.3 | Confident | 87 | Confident | 32 Ų | 32 | 72 Ų | 72 | 26% | 0.264 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -46.6 | 157.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R494 E696 L713 | R494-A626 PolarHBondContact NH1-O 3.32Å; R494-A626 VanDerWaalsContact NH1-O 3.1Å; R494-A626 PolarHBondContact NH2-O 3.49Å; A626-E696 WeakPolarHBondContact CB-OE1 3.09Å; A626-L713 HydrophobicContact CB-CD1 3.99Å; A626-L713 HydrophobicContact CB-CD2 4.24Å; A626-L713 HydrophobicContact CB-CG 4.05Å; A626-L713 WeakPolarHBondContact O-CD1 3.41Å |
| 627 | E | 90.8 | Very high | 86.9 | Confident | 137 Ų | 137 | 76.1 Ų | 76.1 | 64% | 0.64 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 144.3 | -177.1 | -69.7 | -61.4 | 164.3 | 0 | 0 | 111.9 | R494 T629 G712 L713 | R494-E627 IonicContact NH2-OE2 3.14Å; E627-T629 VanDerWaalsContact C-N 3.31Å; E627-G712 WeakPolarHBondContact O-CA 3.38Å; E627-L713 PolarHBondContact O-N 3.41Å |
| 628 | L | 88.8 | Confident | 87 | Confident | 39 Ų | 39 | 76.2 Ų | 76.2 | 20% | 0.204 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -71.2 | -30.9 | -176.9 | -66.4 | 178.6 | 0 | 0 | 0 | 112.3 | R494 G712 L713 H714 | R494-L628 VanDerWaalsContact CZ-CD2 3.48Å; R494-L628 VanDerWaalsContact CZ-CG 3.4Å; L628-G712 CarbonylContact O-C 3.58Å; L628-G712 VanDerWaalsContact O-C 3.26Å; L628-G712 WeakPolarHBondContact O-CA 3.18Å; L628-L713 HydrophobicContact CD2-CB 4.44Å; L628-L713 PolarHBondContact O-N 2.95Å; L628-H714 WeakPolarHBondContact CD2-NE2 3.43Å; L628-H714 WeakPolarHBondContact O-CB 3.47Å; L628-H714 PolarHBondContact O-N 2.95Å |
| 629 | T | 88.9 | Confident | 87.2 | Confident | 92 Ų | 92 | 73.5 Ų | 73.5 | 56% | 0.564 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -126.8 | 141.3 | -177 | 51.9 | 0 | 0 | 0 | 0 | 109.1 | E627 E715 | E627-T629 VanDerWaalsContact C-N 3.31Å; T629-E715 WeakPolarHBondContact CA-OE1 3.4Å |
| 630 | S | 87.5 | Confident | 87.2 | Confident | 25 Ų | 25 | 75.6 Ų | 75.6 | 18% | 0.175 | 43% | 0.429 | C | S | . | . | trans | -87 | 164.9 | 174.3 | 64.4 | 0 | 0 | 0 | 0 | 111.1 | N632 P633 T710 E715 | S630-N632 VanDerWaalsContact C-N 3.31Å; S630-N632 PolarHBondContact OG-O 3.33Å; S630-P633 WeakPolarHBondContact OG-CA 3.22Å; S630-T710 WeakPolarHBondContact CB-O 3.41Å; S630-E715 WeakPolarHBondContact CB-OE2 3.42Å; S630-E715 PolarHBondContact N-OE1 3.37Å; S630-E715 PolarHBondContact N-OE2 3.03Å; S630-E715 PolarHBondContact OG-OE1 2.74Å; S630-E715 PolarHBondContact OG-OE2 3.46Å | ||
| 631 | A | 83.8 | Confident | 87.3 | Confident | 98 Ų | 98 | 81.1 Ų | 81.1 | 81% | 0.81 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -70.4 | -31.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 632 | N | 84.8 | Confident | 87.5 | Confident | 146 Ų | 146 | 74 Ų | 74 | 78% | 0.781 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -127.7 | 80.7 | -177.9 | -66.4 | -18.1 | 0 | 0 | 0 | 109 | S630 | S630-N632 VanDerWaalsContact C-N 3.31Å; S630-N632 PolarHBondContact OG-O 3.33Å |
| 633 | P | 83.6 | Confident | 87.9 | Confident | 78 Ų | 78 | 75 Ų | 75 | 51% | 0.506 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 146.8 | 178.2 | 27.4 | -34.2 | 0 | 0 | 0 | 110.4 | S630 | S630-P633 WeakPolarHBondContact OG-CA 3.22Š|
| 634 | P | 82.1 | Confident | 88.4 | Confident | 38 Ų | 38 | 70.2 Ų | 70.2 | 25% | 0.247 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -69 | 162.2 | 172.7 | 31 | -34.1 | 0 | 0 | 0 | 110.2 | W638 L711 | P634-W638 HydrophobicContact CB-CB 3.85Å; P634-W638 HydrophobicContact CB-CD2 3.99Å; P634-W638 HydrophobicContact CB-CE3 4.27Å; P634-W638 HydrophobicContact CB-CG 3.82Å; P634-W638 HydrophobicContact CG-CB 4.31Å; P634-W638 HydrophobicContact CG-CD2 3.85Å; P634-W638 HydrophobicContact CG-CE3 3.61Å; P634-W638 HydrophobicContact CG-CG 4.18Å; P634-W638 HydrophobicContact CG-CZ3 4.23Å; P634-L711 VanDerWaalsContact CD-CD2 3.5Å; P634-L711 HydrophobicContact CG-CD2 3.79Å |
| 635 | D | 85.8 | Confident | 88.8 | Confident | 129 Ų | 129 | 66.4 Ų | 66.4 | 69% | 0.69 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 151.7 | 177.4 | -63.8 | -32.4 | 0 | 0 | 0 | 111.8 | S637 W638 | D635-S637 PolarHBondContact O-N 3.35Å; D635-W638 VanDerWaalsContact O-CB 3.26Å; D635-W638 WeakPolarHBondContact O-CB 3.46Å; D635-W638 PolarHBondContact O-N 3.41Å |
| 636 | E | 83.1 | Confident | 89.1 | Confident | 185 Ų | 185 | 65.6 Ų | 65.6 | 86% | 0.864 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.4 | -177.5 | -68.4 | -171.2 | 166.2 | 0 | 0 | 113.6 | W638 K719 | E636-W638 VanDerWaalsContact C-N 3.28Å; E636-W638 PolarHBondContact O-N 3.36Å; E636-K719 PolarHBondContact O-NZ 2.92Å |
| 637 | S | 85.2 | Confident | 89.4 | Confident | 90 Ų | 90 | 69 Ų | 69 | 63% | 0.629 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9.4 | 176.8 | 56.1 | 0 | 0 | 0 | 0 | 114.2 | D635 P639 S640 | D635-S637 PolarHBondContact O-N 3.35Å; S637-P639 CarbonylContact O-C 3.47Å; S637-S640 PolarHBondContact O-N 2.95Å |
| 638 | W | 90.8 | Very high | 89.6 | Confident | 19 Ų | 19 | 67.3 Ų | 67.3 | 7% | 0.072 | 38% | 0.38 | C | S | . | . | trans | -74.7 | 139.1 | 175.6 | -179.1 | 91.5 | 0 | 0 | 0 | 110.8 | P634 D635 E636 I703 V706 L711 L716 K719 | P634-W638 HydrophobicContact CB-CB 3.85Å; P634-W638 HydrophobicContact CB-CD2 3.99Å; P634-W638 HydrophobicContact CB-CE3 4.27Å; P634-W638 HydrophobicContact CB-CG 3.82Å; P634-W638 HydrophobicContact CG-CB 4.31Å; P634-W638 HydrophobicContact CG-CD2 3.85Å; P634-W638 HydrophobicContact CG-CE3 3.61Å; P634-W638 HydrophobicContact CG-CG 4.18Å; P634-W638 HydrophobicContact CG-CZ3 4.23Å; D635-W638 VanDerWaalsContact O-CB 3.26Å; D635-W638 WeakPolarHBondContact O-CB 3.46Å; D635-W638 PolarHBondContact O-N 3.41Å; E636-W638 VanDerWaalsContact C-N 3.28Å; E636-W638 PolarHBondContact O-N 3.36Å; W638-I703 HydrophobicContact CH2-CB 4.29Å; W638-I703 HydrophobicContact CH2-CG2 4.2Å; W638-I703 HydrophobicContact CZ2-CB 3.67Å; W638-I703 HydrophobicContact CZ2-CG2 3.65Å; W638-I703 PolarHBondContact NE1-O 3.25Å; W638-I703 VanDerWaalsContact NE1-O 3.09Å; W638-V706 HydrophobicContact CZ2-CB 4.14Å; W638-V706 HydrophobicContact CZ2-CG1 4.49Å; W638-L711 HydrophobicContact CH2-CD1 3.15Å; W638-L711 HydrophobicContact CZ2-CD1 3.55Å; W638-L711 HydrophobicContact CZ3-CD1 3.81Å; W638-L716 HydrophobicContact CH2-CD1 4.24Å; W638-K719 HydrophobicContact CE3-CG 4.23Å; W638-K719 HydrophobicContact CZ3-CB 4.23Å; W638-K719 HydrophobicContact CZ3-CG 4.16Å; W638-K719 VanDerWaalsContact O-CD 3.3Å; W638-K719 WeakPolarHBondContact O-CD 3.49Å; W638-K719 WeakPolarHBondContact O-CE 3.18Å; W638-K719 PolarHBondContact O-NZ 2.96Å | ||
| 639 | P | 91.5 | Very high | 89.9 | Confident | 10 Ų | 10 | 65.4 Ų | 65.4 | 7% | 0.065 | 37% | 0.37 | C | S | . | . | S | Bend | cis | -75.6 | 139.2 | -11 | 31.4 | -33.5 | 0 | 0 | 0 | 111.7 | S637 I703 D704 K719 R799 I800 | S637-P639 CarbonylContact O-C 3.47Å; P639-I703 HydrophobicContact CB-CG2 3.85Å; P639-I703 HydrophobicContact CG-CG2 4.36Å; P639-D704 WeakPolarHBondContact CA-OD2 3.15Å; P639-D704 WeakPolarHBondContact CB-OD2 3.13Å; P639-K719 HydrophobicContact CG-CB 4.43Å; P639-R799 HydrophobicContact CG-CB 4.43Å; P639-R799 WeakPolarHBondContact O-CG 3.35Å; P639-I800 HydrophobicContact CG-CD1 4.26Å |
| 640 | S | 88.8 | Confident | 90.2 | Very high | 63 Ų | 63 | 61.6 Ų | 61.6 | 44% | 0.441 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -87.7 | -38.9 | -178 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | S637 D704 | S637-S640 PolarHBondContact O-N 2.95Å; S640-D704 PolarHBondContact N-OD2 3.18Å; S640-D704 PolarHBondContact OG-OD2 3.4Å |
| 641 | H | 89.8 | Confident | 90.4 | Very high | 121 Ų | 121 | 60.4 Ų | 60.4 | 56% | 0.56 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -107.7 | -35.3 | -175.4 | -59.9 | 68 | 0 | 0 | 0 | 111.6 | P670 D704 | H641-P670 HydrophobicContact CB-CB 3.99Å; H641-P670 HydrophobicContact CB-CG 3.74Å; H641-P670 WeakPolarHBondContact O-CB 3.44Å; H641-D704 PolarHBondContact N-OD2 3.2Å |
| 642 | G | 91.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | 82.5 | 31.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D704 S830 | G642-D704 PolarHBondContact N-OD1 3.08Å; G642-D704 PolarHBondContact N-OD2 3.27Å; G642-S830 VanDerWaalsContact O-CB 3.27Å; G642-S830 WeakPolarHBondContact O-CB 3.14Å; G642-S830 PolarHBondContact O-OG 2.82Å | ||
| 643 | E | 95.8 | Very high | 90.3 | Very high | 51 Ų | 51 | 56.1 Ų | 56.1 | 24% | 0.238 | 29% | 0.291 | C | S | . | . | trans | -74.6 | 133.8 | 170 | -173.9 | 178.7 | -129.7 | 0 | 0 | 109.9 | V645 T667 L668 P670 I703 D704 | E643-V645 HydrophobicContact CG-CG2 4.08Å; E643-T667 HydrophobicContact CG-CG2 4.34Å; E643-L668 WeakPolarHBondContact CA-O 3.44Å; E643-P670 HydrophobicContact CB-CG 4.02Å; E643-I703 CarbonylContact O-C 3.46Å; E643-I703 VanDerWaalsContact O-CA 3.24Å; E643-I703 WeakPolarHBondContact O-CA 3.49Å; E643-D704 PolarHBondContact N-OD1 3.44Å; E643-D704 PolarHBondContact O-N 2.96Å | ||
| 644 | V | 96.5 | Very high | 90 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 123.1 | 175 | -171.7 | 0 | 0 | 0 | 0 | 110 | F646 T667 L668 L691 I701 Y702 I703 I800 | V644-F646 HydrophobicContact CG1-CD2 4.07Å; V644-F646 HydrophobicContact CG1-CE2 3.75Å; V644-T667 CarbonylContact O-C 3.59Å; V644-T667 WeakPolarHBondContact O-CA 3.31Å; V644-L668 HydrophobicContact CB-CB 4.05Å; V644-L668 HydrophobicContact CB-CD2 4.35Å; V644-L668 HydrophobicContact CG2-CD2 4.04Å; V644-L668 PolarHBondContact N-O 3.23Å; V644-L668 PolarHBondContact O-N 3.08Å; V644-L691 HydrophobicContact CG1-CD1 3.87Å; V644-I701 HydrophobicContact CG1-CG2 4.27Å; V644-Y702 CarbonylContact C-O 3.53Å; V644-Y702 WeakPolarHBondContact CA-O 3.27Å; V644-I703 HydrophobicContact CG1-CG1 4.24Å; V644-I703 HydrophobicContact CG2-CG1 4.21Å; V644-I800 HydrophobicContact CG2-CD1 3.7Å; V644-I800 HydrophobicContact CG2-CG1 4.32Å; V644-I800 HydrophobicContact CG2-CG2 4.39Å |
| 645 | V | 97.1 | Very high | 89.8 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 116.7 | -177.8 | -171.4 | 0 | 0 | 0 | 0 | 110.4 | E643 K647 T667 I701 Y702 | E643-V645 HydrophobicContact CG-CG2 4.08Å; V645-K647 HydrophobicContact CG1-CD 4.48Å; V645-K647 HydrophobicContact CG1-CG 3.9Å; V645-T667 HydrophobicContact CG2-CG2 3.99Å; V645-I701 CarbonylContact O-C 3.5Å; V645-I701 WeakPolarHBondContact O-CA 3.44Å; V645-Y702 PolarHBondContact N-O 3.43Å; V645-Y702 PolarHBondContact O-N 3.31Å |
| 646 | F | 96.7 | Very high | 89.3 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 124.7 | 169.4 | -79.7 | -118 | 0 | 0 | 0 | 109 | V644 V649 S665 F666 V687 A690 L691 I701 | V644-F646 HydrophobicContact CG1-CD2 4.07Å; V644-F646 HydrophobicContact CG1-CE2 3.75Å; F646-V649 HydrophobicContact CB-CG2 4.09Å; F646-V649 HydrophobicContact CD1-CB 3.9Å; F646-V649 HydrophobicContact CD1-CG1 4.12Å; F646-V649 HydrophobicContact CD1-CG2 3.64Å; F646-V649 HydrophobicContact CE1-CG1 4.35Å; F646-V649 HydrophobicContact CE1-CG2 4.46Å; F646-V649 HydrophobicContact CG-CG2 4.19Å; F646-S665 VanDerWaalsContact O-CA 3.25Å; F646-S665 WeakPolarHBondContact O-CA 3.46Å; F646-F666 HydrophobicContact CB-CD1 3.88Å; F646-F666 HydrophobicContact CB-CE1 3.89Å; F646-F666 HydrophobicContact CB-CG 4.36Å; F646-F666 HydrophobicContact CB-CZ 4.38Å; F646-F666 AromaticContact CD1-CE1 3.73Å; F646-F666 HydrophobicContact CD1-CE1 3.73Å; F646-F666 HydrophobicContact CD1-CZ 4.11Å; F646-F666 HydrophobicContact CD2-CD1 4.39Å; F646-F666 HydrophobicContact CD2-CD2 4.46Å; F646-F666 AromaticContact CD2-CE1 3.71Å; F646-F666 HydrophobicContact CD2-CE1 3.71Å; F646-F666 AromaticContact CD2-CE2 3.79Å; F646-F666 HydrophobicContact CD2-CE2 3.79Å; F646-F666 AromaticContact CD2-CZ 3.36Å; F646-F666 HydrophobicContact CD2-CZ 3.36Å; F646-F666 HydrophobicContact CE1-CE1 4.18Å; F646-F666 HydrophobicContact CE1-CZ 4.25Å; F646-F666 HydrophobicContact CE2-CE1 4.15Å; F646-F666 HydrophobicContact CE2-CE2 4.11Å; F646-F666 AromaticContact CE2-CZ 3.53Å; F646-F666 HydrophobicContact CE2-CZ 3.53Å; F646-F666 HydrophobicContact CG-CD1 4.03Å; F646-F666 AromaticContact CG-CE1 3.49Å; F646-F666 HydrophobicContact CG-CE1 3.49Å; F646-F666 VanDerWaalsContact CG-CE1 3.49Å; F646-F666 HydrophobicContact CG-CE2 4.38Å; F646-F666 AromaticContact CG-CZ 3.7Å; F646-F666 HydrophobicContact CG-CZ 3.7Å; F646-F666 HydrophobicContact CZ-CE1 4.38Å; F646-F666 AromaticContact CZ-CZ 3.99Å; F646-F666 HydrophobicContact CZ-CZ 3.99Å; F646-F666 PolarHBondContact N-O 3.08Å; F646-F666 PolarHBondContact O-N 3.32Å; F646-F666 VanDerWaalsContact O-N 3.15Å; F646-V687 HydrophobicContact CE1-CG1 4.09Å; F646-V687 HydrophobicContact CZ-CG1 4.03Å; F646-A690 HydrophobicContact CE1-CB 4.45Å; F646-L691 HydrophobicContact CE2-CD1 4.17Å; F646-L691 HydrophobicContact CZ-CB 4.15Å; F646-L691 HydrophobicContact CZ-CD1 4.26Å; F646-I701 HydrophobicContact CD1-CD1 4.2Å; F646-I701 HydrophobicContact CD1-CG1 4.08Å; F646-I701 HydrophobicContact CD2-CG2 4.29Å; F646-I701 HydrophobicContact CE1-CD1 3.69Å; F646-I701 HydrophobicContact CE1-CG1 4.07Å; F646-I701 HydrophobicContact CE2-CG2 4.08Å; F646-I701 HydrophobicContact CG-CG1 4.33Å; F646-I701 HydrophobicContact CZ-CD1 3.89Å; F646-I701 HydrophobicContact CZ-CG1 4.32Å; F646-I701 HydrophobicContact CZ-CG2 4.41Å |
| 647 | K | 95.3 | Very high | 88.9 | Confident | 103 Ų | 103 | 49.4 Ų | 49.4 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 108.9 | 175.8 | -62.1 | -169.6 | -175.9 | 171.6 | 0 | 110.6 | V645 V649 Q700 Y702 | V645-K647 HydrophobicContact CG1-CD 4.48Å; V645-K647 HydrophobicContact CG1-CG 3.9Å; K647-V649 VanDerWaalsContact C-N 3.29Å; K647-V649 PolarHBondContact O-N 3.35Å; K647-Q700 PolarHBondContact N-O 3.1Å; K647-Q700 PolarHBondContact O-N 3.39Å; K647-Y702 HydrophobicContact CD-CD2 4.23Å; K647-Y702 HydrophobicContact CD-CE2 3.86Å; K647-Y702 HydrophobicContact CG-CD2 4.47Å; K647-Y702 HydrophobicContact CG-CE2 4.41Å |
| 648 | N | 94.8 | Very high | 88.7 | Confident | 101 Ų | 101 | 49.8 Ų | 49.8 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.6 | 46.6 | 177.1 | -60.5 | -30.5 | 0 | 0 | 0 | 112.9 | S650 S665 | N648-S650 PolarHBondContact O-N 2.89Å; N648-S665 WeakPolarHBondContact CA-OG 3.19Å; N648-S665 PolarHBondContact N-OG 3.42Å; N648-S665 PolarHBondContact OD1-OG 2.98Å; N648-S665 VanDerWaalsContact OD1-OG 3.1Å |
| 649 | V | 95.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 125.1 | -174.7 | 175 | 0 | 0 | 0 | 0 | 110.6 | F646 K647 N663 V664 A690 P697 E698 I701 | F646-V649 HydrophobicContact CB-CG2 4.09Å; F646-V649 HydrophobicContact CD1-CB 3.9Å; F646-V649 HydrophobicContact CD1-CG1 4.12Å; F646-V649 HydrophobicContact CD1-CG2 3.64Å; F646-V649 HydrophobicContact CE1-CG1 4.35Å; F646-V649 HydrophobicContact CE1-CG2 4.46Å; F646-V649 HydrophobicContact CG-CG2 4.19Å; K647-V649 VanDerWaalsContact C-N 3.29Å; K647-V649 PolarHBondContact O-N 3.35Å; V649-N663 PolarHBondContact O-N 2.92Å; V649-V664 PolarHBondContact N-O 2.92Å; V649-V664 PolarHBondContact O-N 2.86Å; V649-A690 HydrophobicContact CG1-CB 4.31Å; V649-P697 HydrophobicContact CG1-CB 3.86Å; V649-E698 CarbonylContact C-O 3.5Å; V649-E698 VanDerWaalsContact CA-O 3.27Å; V649-E698 WeakPolarHBondContact CA-O 3.21Å; V649-I701 HydrophobicContact CG1-CD1 4.48Å; V649-I701 HydrophobicContact CG2-CD1 4.32Å; V649-I701 HydrophobicContact CG2-CG1 3.66Å |
| 650 | S | 94 | Very high | 88.3 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 8% | 0.077 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 143.7 | 173.8 | -62.2 | 0 | 0 | 0 | 0 | 109.9 | N648 L661 N663 E698 | N648-S650 PolarHBondContact O-N 2.89Å; S650-L661 WeakPolarHBondContact CA-O 3.34Å; S650-L661 WeakPolarHBondContact CB-O 3.41Å; S650-N663 PolarHBondContact OG-N 3.3Å; S650-N663 PolarHBondContact OG-OD1 2.96Å; S650-E698 PolarHBondContact N-O 3.47Å; S650-E698 PolarHBondContact O-N 3.47Å |
| 651 | L | 91.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 134.5 | -175.2 | -167.3 | 80.4 | 0 | 0 | 0 | 111.1 | Y659 I660 L661 T689 A690 V695 P697 | L651-Y659 WeakPolarHBondContact O-CA 3.4Å; L651-I660 PolarHBondContact O-N 3.05Å; L651-L661 HydrophobicContact CB-CB 3.98Å; L651-L661 HydrophobicContact CB-CD1 4.05Å; L651-L661 HydrophobicContact CB-CG 4.16Å; L651-L661 HydrophobicContact CD2-CD1 4.45Å; L651-L661 PolarHBondContact N-O 2.84Å; L651-L661 PolarHBondContact O-N 3.39Å; L651-T689 HydrophobicContact CD2-CG2 4.16Å; L651-A690 HydrophobicContact CD1-CB 4.33Å; L651-V695 HydrophobicContact CD1-CB 4.08Å; L651-V695 HydrophobicContact CD1-CG1 3.97Å; L651-P697 HydrophobicContact CD1-CB 4.09Å |
| 652 | R | 88.1 | Confident | 88.6 | Confident | 82 Ų | 82 | 51.6 Ų | 51.6 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | trans | -136.1 | 142.6 | 170.5 | 58.2 | -179.9 | 167.2 | 168.4 | -8.4 | 109.2 | S654 A655 Y659 V695 E698 | R652-S654 WeakPolarHBondContact CD-O 3.37Å; R652-A655 PolarHBondContact NH1-O 2.82Å; R652-Y659 HydrophobicContact CB-CD1 4.13Å; R652-Y659 HydrophobicContact CB-CE1 4.32Å; R652-Y659 HydrophobicContact CG-CD1 4.33Å; R652-Y659 HydrophobicContact CG-CE1 4.02Å; R652-V695 WeakPolarHBondContact O-CG1 3.36Å; R652-E698 IonicContact CZ-OE1 3.13Å; R652-E698 IonicContact NE-OE1 3.32Å; R652-E698 PolarHBondContact NE-OE1 3.02Å; R652-E698 IonicContact NH2-OE1 2.7Å; R652-E698 PolarHBondContact NH2-OE1 2.86Å | ||
| 653 | Y | 79.4 | Confident | 88.7 | Confident | 72 Ų | 72 | 57 Ų | 57 | 28% | 0.282 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -80.3 | -22.6 | -179.2 | -76.1 | -78.3 | 0 | 0 | 0 | 113 | V498 S657 I660 T689 V695 | V498-Y653 HydrophobicContact CG2-CD1 3.96Å; V498-Y653 WeakPolarHBondContact CG2-O 3.28Å; Y653-S657 PolarHBondContact N-OG 3.26Å; Y653-I660 HydrophobicContact CD2-CD1 3.27Å; Y653-I660 HydrophobicContact CE2-CD1 3.37Å; Y653-T689 HydrophobicContact CE1-CG2 4.08Å; Y653-V695 HydrophobicContact CD1-CG2 3.72Å; Y653-V695 HydrophobicContact CE1-CG2 3.88Å |
| 654 | S | 78.1 | Confident | 88.6 | Confident | 29 Ų | 29 | 54.6 Ų | 54.6 | 20% | 0.203 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -145.7 | 161 | 171.2 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | R502 R652 D656 S657 | R502-S654 PolarHBondContact NH2-OG 3.34Å; R652-S654 WeakPolarHBondContact CD-O 3.37Å; S654-D656 PolarHBondContact O-N 3.11Å; S654-S657 PolarHBondContact N-OG 3.37Å; S654-S657 PolarHBondContact O-N 3.25Å; S654-S657 PolarHBondContact O-OG 3.12Å; S654-S657 WeakPolarHBondContact OG-CB 3.18Å; S654-S657 PolarHBondContact OG-N 2.95Å; S654-S657 PolarHBondContact OG-OG 2.85Å |
| 655 | A | 76.7 | Confident | 88.5 | Confident | 73 Ų | 73 | 56.6 Ų | 56.6 | 60% | 0.603 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -38.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R652 | R652-A655 PolarHBondContact NH1-O 2.82Š|
| 656 | D | 76.5 | Confident | 88.4 | Confident | 160 Ų | 160 | 56.2 Ų | 56.2 | 86% | 0.856 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -6.1 | -178.1 | -45 | -47.8 | 0 | 0 | 0 | 113.9 | S654 | S654-D656 PolarHBondContact O-N 3.11Š|
| 657 | S | 74.1 | Confident | 88.4 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 19% | 0.189 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -89.1 | 147 | -179.9 | 66 | 0 | 0 | 0 | 0 | 111.4 | Y653 S654 | Y653-S657 PolarHBondContact N-OG 3.26Å; S654-S657 PolarHBondContact N-OG 3.37Å; S654-S657 PolarHBondContact O-N 3.25Å; S654-S657 PolarHBondContact O-OG 3.12Å; S654-S657 WeakPolarHBondContact OG-CB 3.18Å; S654-S657 PolarHBondContact OG-N 2.95Å; S654-S657 PolarHBondContact OG-OG 2.85Å |
| 658 | P | 81.4 | Confident | 88.4 | Confident | 97 Ų | 97 | 53.4 Ų | 53.4 | 63% | 0.63 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 154.5 | 174.3 | 27.7 | -35.1 | 0 | 0 | 0 | 111.6 | I660 | P658-I660 PolarHBondContact O-N 3.04Š|
| 659 | Y | 86.3 | Confident | 88.4 | Confident | 80 Ų | 80 | 53.8 Ų | 53.8 | 31% | 0.314 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 122 | 172 | -71.5 | -78.3 | 0 | 0 | 0 | 110.8 | L651 R652 R662 E698 | L651-Y659 WeakPolarHBondContact O-CA 3.4Å; R652-Y659 HydrophobicContact CB-CD1 4.13Å; R652-Y659 HydrophobicContact CB-CE1 4.32Å; R652-Y659 HydrophobicContact CG-CD1 4.33Å; R652-Y659 HydrophobicContact CG-CE1 4.02Å; Y659-R662 PolarHBondContact O-NE 3.17Å; Y659-E698 PolarHBondContact OH-OE1 3.36Å; Y659-E698 VanDerWaalsContact OH-OE1 3.09Å; Y659-E698 PolarHBondContact OH-OE2 3.14Å |
| 660 | I | 87.6 | Confident | 88.3 | Confident | 54 Ų | 54 | 56.8 Ų | 56.8 | 28% | 0.277 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -88.9 | -31.6 | 176.6 | -64.4 | 169.2 | 0 | 0 | 0 | 110.8 | L651 Y653 P658 S686 G853 | L651-I660 PolarHBondContact O-N 3.05Å; Y653-I660 HydrophobicContact CD2-CD1 3.27Å; Y653-I660 HydrophobicContact CE2-CD1 3.37Å; P658-I660 PolarHBondContact O-N 3.04Å; I660-S686 WeakPolarHBondContact CG2-OG 3.26Å; I660-G853 WeakPolarHBondContact O-CA 3.24Å |
| 661 | L | 92.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 136.4 | 165.9 | -62.1 | 178.9 | 0 | 0 | 0 | 108.4 | S650 L651 V664 V687 G853 | S650-L661 WeakPolarHBondContact CA-O 3.34Å; S650-L661 WeakPolarHBondContact CB-O 3.41Å; L651-L661 HydrophobicContact CB-CB 3.98Å; L651-L661 HydrophobicContact CB-CD1 4.05Å; L651-L661 HydrophobicContact CB-CG 4.16Å; L651-L661 HydrophobicContact CD2-CD1 4.45Å; L651-L661 PolarHBondContact N-O 2.84Å; L651-L661 PolarHBondContact O-N 3.39Å; L661-V664 HydrophobicContact CB-CG2 4.19Å; L661-V664 HydrophobicContact CD2-CG2 4.27Å; L661-V687 HydrophobicContact CD1-CG2 4.11Å; L661-V687 HydrophobicContact CD2-CG2 4.23Å; L661-G853 WeakPolarHBondContact CA-O 3.15Å |
| 662 | R | 92.2 | Very high | 88.2 | Confident | 117 Ų | 117 | 58.4 Ų | 58.4 | 44% | 0.442 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 107.2 | -175.6 | -61.6 | 177.3 | -173.2 | -178.7 | 1.7 | 109.5 | Y659 V664 G853 Q854 | Y659-R662 PolarHBondContact O-NE 3.17Å; R662-V664 VanDerWaalsContact C-N 3.29Å; R662-V664 PolarHBondContact O-N 3.03Å; R662-G853 PolarHBondContact N-O 3.03Å; R662-Q854 HydrophobicContact CB-CG 4.01Å |
| 663 | N | 92.5 | Very high | 88.4 | Confident | 112 Ų | 112 | 56.7 Ų | 56.7 | 60% | 0.599 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.2 | 41.7 | 174.7 | -62.7 | -28.5 | 0 | 0 | 0 | 114.5 | V649 S650 S665 | V649-N663 PolarHBondContact O-N 2.92Å; S650-N663 PolarHBondContact OG-N 3.3Å; S650-N663 PolarHBondContact OG-OD1 2.96Å; N663-S665 PolarHBondContact O-N 3.24Å |
| 664 | V | 93.6 | Very high | 89.1 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 123.7 | -179.8 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | V649 L661 R662 F666 G853 L855 | V649-V664 PolarHBondContact N-O 2.92Å; V649-V664 PolarHBondContact O-N 2.86Å; L661-V664 HydrophobicContact CB-CG2 4.19Å; L661-V664 HydrophobicContact CD2-CG2 4.27Å; R662-V664 VanDerWaalsContact C-N 3.29Å; R662-V664 PolarHBondContact O-N 3.03Å; V664-F666 HydrophobicContact CG1-CD1 3.84Å; V664-F666 HydrophobicContact CG1-CE1 3.98Å; V664-G853 WeakPolarHBondContact CG2-O 3.49Å; V664-L855 HydrophobicContact CG1-CB 4.49Å |
| 665 | S | 95.5 | Very high | 89.8 | Confident | 46 Ų | 46 | 51.9 Ų | 51.9 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 123 | 179.5 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | F646 N648 N663 | F646-S665 VanDerWaalsContact O-CA 3.25Å; F646-S665 WeakPolarHBondContact O-CA 3.46Å; N648-S665 WeakPolarHBondContact CA-OG 3.19Å; N648-S665 PolarHBondContact N-OG 3.42Å; N648-S665 PolarHBondContact OD1-OG 2.98Å; N648-S665 VanDerWaalsContact OD1-OG 3.1Å; N663-S665 PolarHBondContact O-N 3.24Å |
| 666 | F | 95.4 | Very high | 90.6 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 168.9 | 175.2 | 67.4 | -91.1 | 0 | 0 | 0 | 111.3 | F646 V664 L674 V687 I848 L855 Y858 | F646-F666 HydrophobicContact CB-CD1 3.88Å; F646-F666 HydrophobicContact CB-CE1 3.89Å; F646-F666 HydrophobicContact CB-CG 4.36Å; F646-F666 HydrophobicContact CB-CZ 4.38Å; F646-F666 AromaticContact CD1-CE1 3.73Å; F646-F666 HydrophobicContact CD1-CE1 3.73Å; F646-F666 HydrophobicContact CD1-CZ 4.11Å; F646-F666 HydrophobicContact CD2-CD1 4.39Å; F646-F666 HydrophobicContact CD2-CD2 4.46Å; F646-F666 AromaticContact CD2-CE1 3.71Å; F646-F666 HydrophobicContact CD2-CE1 3.71Å; F646-F666 AromaticContact CD2-CE2 3.79Å; F646-F666 HydrophobicContact CD2-CE2 3.79Å; F646-F666 AromaticContact CD2-CZ 3.36Å; F646-F666 HydrophobicContact CD2-CZ 3.36Å; F646-F666 HydrophobicContact CE1-CE1 4.18Å; F646-F666 HydrophobicContact CE1-CZ 4.25Å; F646-F666 HydrophobicContact CE2-CE1 4.15Å; F646-F666 HydrophobicContact CE2-CE2 4.11Å; F646-F666 AromaticContact CE2-CZ 3.53Å; F646-F666 HydrophobicContact CE2-CZ 3.53Å; F646-F666 HydrophobicContact CG-CD1 4.03Å; F646-F666 AromaticContact CG-CE1 3.49Å; F646-F666 HydrophobicContact CG-CE1 3.49Å; F646-F666 VanDerWaalsContact CG-CE1 3.49Å; F646-F666 HydrophobicContact CG-CE2 4.38Å; F646-F666 AromaticContact CG-CZ 3.7Å; F646-F666 HydrophobicContact CG-CZ 3.7Å; F646-F666 HydrophobicContact CZ-CE1 4.38Å; F646-F666 AromaticContact CZ-CZ 3.99Å; F646-F666 HydrophobicContact CZ-CZ 3.99Å; F646-F666 PolarHBondContact N-O 3.08Å; F646-F666 PolarHBondContact O-N 3.32Å; F646-F666 VanDerWaalsContact O-N 3.15Å; V664-F666 HydrophobicContact CG1-CD1 3.84Å; V664-F666 HydrophobicContact CG1-CE1 3.98Å; F666-L674 HydrophobicContact CD2-CD2 3.8Å; F666-L674 HydrophobicContact CE2-CD2 3.86Å; F666-V687 HydrophobicContact CE1-CG1 4.3Å; F666-V687 HydrophobicContact CZ-CG1 4.11Å; F666-I848 HydrophobicContact CB-CD1 3.76Å; F666-I848 HydrophobicContact CD1-CD1 3.86Å; F666-I848 HydrophobicContact CD2-CD1 3.54Å; F666-I848 HydrophobicContact CE1-CD1 4.33Å; F666-I848 HydrophobicContact CE2-CD1 4.05Å; F666-I848 HydrophobicContact CG-CD1 3.44Å; F666-I848 VanDerWaalsContact CG-CD1 3.44Å; F666-I848 HydrophobicContact CZ-CD1 4.41Å; F666-L855 HydrophobicContact CB-CD1 3.99Å; F666-L855 HydrophobicContact CD1-CD1 4.34Å; F666-Y858 HydrophobicContact CB-CE1 4.39Å |
| 667 | T | 96.1 | Very high | 91.2 | Very high | 43 Ų | 43 | 41 Ų | 41 | 26% | 0.264 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 114.3 | -179 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | E643 V644 V645 R846 Y858 | E643-T667 HydrophobicContact CG-CG2 4.34Å; V644-T667 CarbonylContact O-C 3.59Å; V644-T667 WeakPolarHBondContact O-CA 3.31Å; V645-T667 HydrophobicContact CG2-CG2 3.99Å; T667-R846 PolarHBondContact O-NH2 2.96Å; T667-Y858 PolarHBondContact O-OH 3.48Å |
| 668 | L | 95.7 | Very high | 91.7 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 113.5 | 166.3 | 177.3 | 65.3 | 0 | 0 | 0 | 108.9 | E643 V644 E672 L674 | E643-L668 WeakPolarHBondContact CA-O 3.44Å; V644-L668 HydrophobicContact CB-CB 4.05Å; V644-L668 HydrophobicContact CB-CD2 4.35Å; V644-L668 HydrophobicContact CG2-CD2 4.04Å; V644-L668 PolarHBondContact N-O 3.23Å; V644-L668 PolarHBondContact O-N 3.08Å; L668-E672 HydrophobicContact CD1-CB 4.07Å; L668-E672 HydrophobicContact CD1-CG 4.39Å; L668-L674 HydrophobicContact CB-CD2 4.1Å; L668-L674 HydrophobicContact CD1-CB 3.49Å; L668-L674 VanDerWaalsContact CD1-CB 3.49Å; L668-L674 HydrophobicContact CD1-CD2 3.99Å; L668-L674 HydrophobicContact CD1-CG 4.42Å |
| 669 | K | 94.3 | Very high | 91.4 | Very high | 110 Ų | 110 | 40.4 Ų | 40.4 | 48% | 0.478 | 21% | 0.205 | S | C | . | . | trans | -76.5 | 157.2 | 179.5 | -65.1 | 174.7 | -178.1 | 179.3 | 0 | 110.9 | G671 E672 S830 | K669-G671 PolarHBondContact O-N 3.04Å; K669-E672 HydrophobicContact CB-CB 4.03Å; K669-E672 WeakPolarHBondContact CB-OE2 3.41Å; K669-E672 PolarHBondContact N-OE2 2.92Å; K669-E672 WeakPolarHBondContact O-CB 3.34Å; K669-E672 PolarHBondContact O-N 3.05Å; K669-E672 VanDerWaalsContact O-N 3.14Å; K669-S830 PolarHBondContact O-OG 3.34Å | ||
| 670 | P | 93.6 | Very high | 90.7 | Very high | 62 Ų | 62 | 39.5 Ų | 39.5 | 40% | 0.403 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 127 | 173.9 | -29 | 37.6 | 0 | 0 | 0 | 113.1 | H641 E643 E672 S830 | H641-P670 HydrophobicContact CB-CB 3.99Å; H641-P670 HydrophobicContact CB-CG 3.74Å; H641-P670 WeakPolarHBondContact O-CB 3.44Å; E643-P670 HydrophobicContact CB-CG 4.02Å; P670-E672 PolarHBondContact O-N 3.15Å; P670-S830 WeakPolarHBondContact CA-OG 3.38Å |
| 671 | G | 90.2 | Very high | 89.7 | Confident | 33 Ų | 33 | 40.1 Ų | 40.1 | 34% | 0.34 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 9.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | K669 S830 | K669-G671 PolarHBondContact O-N 3.04Å; G671-S830 PolarHBondContact N-OG 3.12Å |
| 672 | E | 92.9 | Very high | 89.2 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | trans | -85 | 143.7 | -179.4 | -174.5 | -178.5 | -157.7 | 0 | 0 | 112.1 | L668 K669 P670 S830 V831 D845 R846 | L668-E672 HydrophobicContact CD1-CB 4.07Å; L668-E672 HydrophobicContact CD1-CG 4.39Å; K669-E672 HydrophobicContact CB-CB 4.03Å; K669-E672 WeakPolarHBondContact CB-OE2 3.41Å; K669-E672 PolarHBondContact N-OE2 2.92Å; K669-E672 WeakPolarHBondContact O-CB 3.34Å; K669-E672 PolarHBondContact O-N 3.05Å; K669-E672 VanDerWaalsContact O-N 3.14Å; P670-E672 PolarHBondContact O-N 3.15Å; E672-S830 CarbonylContact O-C 3.54Å; E672-S830 WeakPolarHBondContact O-CA 3.31Å; E672-V831 PolarHBondContact O-N 3.06Å; E672-D845 WeakPolarHBondContact CA-OD2 3.24Å; E672-D845 HydrophobicContact CG-CB 3.68Å; E672-R846 IonicContact OE1-CZ 3.51Å; E672-R846 IonicContact OE1-NE 2.72Å; E672-R846 PolarHBondContact OE1-NE 3.34Å; E672-R846 IonicContact OE1-NH2 2.89Å; E672-R846 PolarHBondContact OE1-NH2 3.45Å; E672-R846 IonicContact OE2-CZ 2.79Å; E672-R846 IonicContact OE2-NE 2.81Å; E672-R846 IonicContact OE2-NH2 3.16Å; E672-R846 PolarHBondContact OE2-NH2 3.41Å | ||
| 673 | K | 92.5 | Very high | 88.7 | Confident | 46 Ų | 46 | 35 Ų | 35 | 20% | 0.2 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 111.8 | 167.4 | -59.2 | -175.4 | -177 | -176.4 | 0 | 110.6 | V831 C844 D845 R846 | K673-V831 CarbonylContact C-O 3.58Å; K673-V831 WeakPolarHBondContact CA-O 3.35Å; K673-V831 HydrophobicContact CG-CB 4.29Å; K673-V831 HydrophobicContact CG-CG2 4.44Å; K673-C844 CarbonylContact O-C 3.6Å; K673-C844 WeakPolarHBondContact O-CB 3.35Å; K673-D845 PolarHBondContact N-OD2 3.21Å; K673-D845 WeakPolarHBondContact O-CA 3.38Å; K673-D845 WeakPolarHBondContact O-CB 3.3Å; K673-D845 PolarHBondContact O-N 3.36Å; K673-R846 PolarHBondContact O-N 3.34Å |
| 674 | L | 94.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.5 | -179.1 | -176.7 | 60.7 | 0 | 0 | 0 | 110.4 | F666 L668 V831 L832 T833 R846 I848 Y858 | F666-L674 HydrophobicContact CD2-CD2 3.8Å; F666-L674 HydrophobicContact CE2-CD2 3.86Å; L668-L674 HydrophobicContact CB-CD2 4.1Å; L668-L674 HydrophobicContact CD1-CB 3.49Å; L668-L674 VanDerWaalsContact CD1-CB 3.49Å; L668-L674 HydrophobicContact CD1-CD2 3.99Å; L668-L674 HydrophobicContact CD1-CG 4.42Å; L674-V831 PolarHBondContact N-O 3.08Å; L674-L832 HydrophobicContact CB-CD1 4.32Å; L674-L832 HydrophobicContact CD2-CD1 4.08Å; L674-L832 HydrophobicContact CG-CD1 4.13Å; L674-L832 WeakPolarHBondContact O-CA 3.47Å; L674-T833 PolarHBondContact O-N 3.49Å; L674-R846 WeakPolarHBondContact CA-O 3.26Å; L674-R846 HydrophobicContact CD1-CB 3.87Å; L674-I848 HydrophobicContact CD1-CD1 4Å; L674-I848 HydrophobicContact CD1-CG1 4.01Å; L674-I848 HydrophobicContact CD2-CD1 3.76Å; L674-I848 HydrophobicContact CG-CD1 4.09Å; L674-Y858 HydrophobicContact CD1-CD2 4.46Å; L674-Y858 HydrophobicContact CD1-CE2 3.81Å |
| 675 | G | 93.1 | Very high | 88 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 142.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T833 R846 V847 I848 | G675-T833 CarbonylContact C-O 3.54Å; G675-T833 WeakPolarHBondContact CA-O 3.28Å; G675-R846 PolarHBondContact N-O 2.88Å; G675-V847 CarbonylContact O-C 3.6Å; G675-V847 VanDerWaalsContact O-CA 3.32Å; G675-V847 WeakPolarHBondContact O-CA 3.3Å; G675-I848 PolarHBondContact O-N 2.87Å |
| 676 | L | 92.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 114 | 173.8 | -170.3 | 101.3 | 0 | 0 | 0 | 109.1 | K684 V687 T833 I834 I848 L850 | L676-K684 HydrophobicContact CD2-CB 3.8Å; L676-K684 HydrophobicContact CD2-CG 4.05Å; L676-V687 HydrophobicContact CD1-CG2 4.39Å; L676-V687 HydrophobicContact CD2-CB 4.45Å; L676-V687 HydrophobicContact CD2-CG2 4.28Å; L676-T833 PolarHBondContact N-O 3.32Å; L676-I834 HydrophobicContact CB-CG1 4.2Å; L676-I834 HydrophobicContact CD2-CD1 3.59Å; L676-I834 HydrophobicContact CD2-CG1 3.82Å; L676-I834 HydrophobicContact CD2-CG2 4.48Å; L676-I848 HydrophobicContact CD1-CB 3.99Å; L676-I848 HydrophobicContact CD1-CD1 4.45Å; L676-I848 HydrophobicContact CD1-CG2 3.73Å; L676-L850 HydrophobicContact CD1-CD1 3.87Å; L676-L850 HydrophobicContact CD1-CG 4.13Å; L676-L850 HydrophobicContact CD2-CD1 3.91Å; L676-L850 HydrophobicContact CG-CD1 4.09Å; L676-L850 HydrophobicContact CG-CG 4.49Å |
| 677 | V | 90 | Very high | 87.6 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 163.5 | -180 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | L838 I841 V847 I848 V849 L850 F872 L875 | V677-L838 HydrophobicContact CG1-CD2 3.96Å; V677-I841 HydrophobicContact CG1-CD1 3.34Å; V677-I841 HydrophobicContact CG1-CG1 4.49Å; V677-I841 HydrophobicContact CG1-CG2 4.19Å; V677-V847 HydrophobicContact CG1-CG1 4.26Å; V677-V847 HydrophobicContact CG2-CG1 3.67Å; V677-I848 WeakPolarHBondContact CG2-O 3.45Å; V677-I848 PolarHBondContact N-O 3.29Å; V677-V849 HydrophobicContact CG2-CB 4.34Å; V677-V849 HydrophobicContact CG2-CG1 4.49Å; V677-V849 HydrophobicContact CG2-CG2 3.76Å; V677-V849 WeakPolarHBondContact O-CA 3.27Å; V677-L850 PolarHBondContact O-N 3.46Å; V677-F872 HydrophobicContact CG2-CD2 3.87Å; V677-F872 HydrophobicContact CG2-CE2 4.09Å; V677-L875 HydrophobicContact CG2-CD1 4.45Å |
| 678 | G | 83.9 | Confident | 87.4 | Confident | 14 Ų | 14 | 28.2 Ų | 28.2 | 14% | 0.144 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.3 | 164.6 | 179 | 0 | 0 | 0 | 0 | 0 | 110 | K684 L850 | G678-K684 PolarHBondContact O-NZ 3.28Å; G678-L850 WeakPolarHBondContact CA-O 3.4Å |
| 679 | R | 74.7 | Confident | 87.3 | Confident | 98 Ų | 98 | 28.4 Ų | 28.4 | 37% | 0.37 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -61.9 | 163.3 | 178.7 | -60.7 | -173 | 74.7 | 176.2 | 6.8 | 111.5 | D302 G681 A682 K684 L875 | D302-R679 IonicContact OD2-CZ 3.9Å; D302-R679 IonicContact OD2-NE 2.72Å; D302-R679 IonicContact OD2-NH2 3.58Å; D302-R679 PolarHBondContact OD2-NH2 2.94Å; R679-G681 PolarHBondContact O-N 2.83Å; R679-A682 WeakPolarHBondContact O-CB 3.33Å; R679-A682 PolarHBondContact O-N 3.06Å; R679-A682 VanDerWaalsContact O-N 3.11Å; R679-K684 PolarHBondContact O-NZ 3.21Å; R679-K684 VanDerWaalsContact O-NZ 3.08Å; R679-L875 HydrophobicContact CG-CD2 4.31Å |
| 680 | T | 70.9 | Confident | 87.3 | Confident | 61 Ų | 61 | 23.2 Ų | 23.2 | 37% | 0.374 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 130.4 | 172.7 | -57.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 681 | G | 68.2 | Low | 87.3 | Confident | 68 Ų | 68 | 20.3 Ų | 20.3 | 70% | 0.701 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | 0.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116 | R679 G683 | R679-G681 PolarHBondContact O-N 2.83Å; G681-G683 PolarHBondContact O-N 3.44Å |
| 682 | A | 80.8 | Confident | 87.6 | Confident | 6 Ų | 6 | 18.8 Ų | 18.8 | 5% | 0.05 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -68 | -4.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R679 L850 G853 | R679-A682 WeakPolarHBondContact O-CB 3.33Å; R679-A682 PolarHBondContact O-N 3.06Å; R679-A682 VanDerWaalsContact O-N 3.11Å; A682-L850 HydrophobicContact CB-CB 4.23Å; A682-L850 WeakPolarHBondContact CB-O 3.43Å; A682-G853 PolarHBondContact O-N 3.12Å |
| 683 | G | 81.5 | Confident | 87.7 | Confident | 5 Ų | 5 | 18.8 Ų | 18.8 | 5% | 0.052 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 100.3 | 13.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G681 S686 V687 | G681-G683 PolarHBondContact O-N 3.44Å; G683-S686 VanDerWaalsContact O-CB 3.25Å; G683-S686 WeakPolarHBondContact O-CB 3.33Å; G683-S686 PolarHBondContact O-N 3.36Å; G683-S686 VanDerWaalsContact O-N 3.12Å; G683-V687 PolarHBondContact O-N 3.34Å |
| 684 | K | 85.9 | Confident | 87.6 | Confident | 12 Ų | 12 | 16.8 Ų | 16.8 | 5% | 0.052 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -53 | -61.2 | -178.2 | -61.5 | -169.2 | -62 | -89.3 | 0 | 113.4 | L676 G678 R679 S686 V687 I834 | L676-K684 HydrophobicContact CD2-CB 3.8Å; L676-K684 HydrophobicContact CD2-CG 4.05Å; G678-K684 PolarHBondContact O-NZ 3.28Å; R679-K684 PolarHBondContact O-NZ 3.21Å; R679-K684 VanDerWaalsContact O-NZ 3.08Å; K684-S686 PolarHBondContact O-N 3.06Å; K684-V687 WeakPolarHBondContact O-CB 3.35Å; K684-V687 PolarHBondContact O-N 3.49Å; K684-I834 HydrophobicContact CB-CD1 4.31Å; K684-I834 HydrophobicContact CB-CG2 3.88Å; K684-I834 HydrophobicContact CD-CG2 4.03Å; K684-I834 VanDerWaalsContact O-CD1 3.27Å; K684-I834 WeakPolarHBondContact O-CD1 3.32Å |
| 685 | S | 85.4 | Confident | 87.4 | Confident | 46 Ų | 46 | 17.4 Ų | 17.4 | 32% | 0.322 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -63.8 | -25.3 | 178.4 | -43.2 | 0 | 0 | 0 | 0 | 112.5 | V687 I688 T689 | S685-V687 PolarHBondContact O-N 3.11Å; S685-I688 WeakPolarHBondContact O-CB 3.47Å; S685-I688 PolarHBondContact O-N 3.37Å; S685-I688 VanDerWaalsContact O-N 3.14Å; S685-T689 PolarHBondContact O-N 2.86Å; S685-T689 PolarHBondContact O-OG1 3.21Å |
| 686 | S | 89.5 | Confident | 87.3 | Confident | 10 Ų | 10 | 21.7 Ų | 21.7 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.5 | -27.9 | 174.4 | -57.2 | 0 | 0 | 0 | 0 | 112.5 | I660 G683 K684 I688 T689 A690 | I660-S686 WeakPolarHBondContact CG2-OG 3.26Å; G683-S686 VanDerWaalsContact O-CB 3.25Å; G683-S686 WeakPolarHBondContact O-CB 3.33Å; G683-S686 PolarHBondContact O-N 3.36Å; G683-S686 VanDerWaalsContact O-N 3.12Å; K684-S686 PolarHBondContact O-N 3.06Å; S686-I688 VanDerWaalsContact C-N 3.35Å; S686-T689 WeakPolarHBondContact O-CB 3.47Å; S686-T689 PolarHBondContact O-N 3.42Å; S686-A690 PolarHBondContact O-N 3.3Å |
| 687 | V | 92.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 172.8 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | F646 L661 F666 L676 G683 K684 S685 A690 L691 L850 | F646-V687 HydrophobicContact CE1-CG1 4.09Å; F646-V687 HydrophobicContact CZ-CG1 4.03Å; L661-V687 HydrophobicContact CD1-CG2 4.11Å; L661-V687 HydrophobicContact CD2-CG2 4.23Å; F666-V687 HydrophobicContact CE1-CG1 4.3Å; F666-V687 HydrophobicContact CZ-CG1 4.11Å; L676-V687 HydrophobicContact CD1-CG2 4.39Å; L676-V687 HydrophobicContact CD2-CB 4.45Å; L676-V687 HydrophobicContact CD2-CG2 4.28Å; G683-V687 PolarHBondContact O-N 3.34Å; K684-V687 WeakPolarHBondContact O-CB 3.35Å; K684-V687 PolarHBondContact O-N 3.49Å; S685-V687 PolarHBondContact O-N 3.11Å; V687-A690 PolarHBondContact O-N 3.13Å; V687-L691 WeakPolarHBondContact O-CB 3.45Å; V687-L691 PolarHBondContact O-N 3.28Å; V687-L850 HydrophobicContact CG2-CD1 3.83Å |
| 688 | I | 93.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 174.1 | -60.2 | -178 | 0 | 0 | 0 | 110.1 | M28 S685 S686 A690 L691 F692 I722 V802 D804 I834 | M28-I688 HydrophobicContact CE-CG2 3.73Å; S685-I688 WeakPolarHBondContact O-CB 3.47Å; S685-I688 PolarHBondContact O-N 3.37Å; S685-I688 VanDerWaalsContact O-N 3.14Å; S686-I688 VanDerWaalsContact C-N 3.35Å; I688-A690 VanDerWaalsContact C-N 3.25Å; I688-A690 PolarHBondContact O-N 2.84Å; I688-L691 PolarHBondContact O-N 3.21Å; I688-L691 VanDerWaalsContact O-N 3.14Å; I688-F692 HydrophobicContact CG2-CD2 3.6Å; I688-F692 HydrophobicContact CG2-CE2 3.87Å; I688-F692 WeakPolarHBondContact O-CD2 3.43Å; I688-F692 PolarHBondContact O-N 2.79Å; I688-I722 HydrophobicContact CG2-CD1 3.84Å; I688-V802 HydrophobicContact CD1-CG1 3.74Å; I688-V802 HydrophobicContact CG1-CG1 3.92Å; I688-D804 HydrophobicContact CD1-CB 3.59Å; I688-D804 VanDerWaalsContact CD1-CG 3.47Å; I688-I834 HydrophobicContact CD1-CD1 3.41Å; I688-I834 VanDerWaalsContact CD1-CD1 3.41Å; I688-I834 HydrophobicContact CD1-CG1 4.07Å; I688-I834 HydrophobicContact CG1-CD1 3.53Å; I688-I834 HydrophobicContact CG1-CG1 4.43Å |
| 689 | T | 92.3 | Very high | 87.9 | Confident | 8 Ų | 8 | 28.1 Ų | 28.1 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.7 | -42.5 | 176.2 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | L651 Y653 S685 S686 R693 L694 V695 | L651-T689 HydrophobicContact CD2-CG2 4.16Å; Y653-T689 HydrophobicContact CE1-CG2 4.08Å; S685-T689 PolarHBondContact O-N 2.86Å; S685-T689 PolarHBondContact O-OG1 3.21Å; S686-T689 WeakPolarHBondContact O-CB 3.47Å; S686-T689 PolarHBondContact O-N 3.42Å; T689-R693 PolarHBondContact O-N 3.36Å; T689-L694 HydrophobicContact CG2-CB 3.9Å; T689-L694 PolarHBondContact O-N 3.02Å; T689-V695 HydrophobicContact CG2-CB 3.91Å; T689-V695 HydrophobicContact CG2-CG2 3.79Å |
| 690 | A | 94.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.9 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | F646 V649 L651 S686 V687 I688 F692 R693 P697 I701 | F646-A690 HydrophobicContact CE1-CB 4.45Å; V649-A690 HydrophobicContact CG1-CB 4.31Å; L651-A690 HydrophobicContact CD1-CB 4.33Å; S686-A690 PolarHBondContact O-N 3.3Å; V687-A690 PolarHBondContact O-N 3.13Å; I688-A690 VanDerWaalsContact C-N 3.25Å; I688-A690 PolarHBondContact O-N 2.84Å; A690-F692 PolarHBondContact O-N 3.44Å; A690-R693 PolarHBondContact O-N 3.19Å; A690-R693 VanDerWaalsContact O-N 3.12Å; A690-P697 HydrophobicContact CB-CB 4.21Å; A690-P697 HydrophobicContact CB-CG 4.46Å; A690-I701 HydrophobicContact CB-CD1 4.18Å |
| 691 | L | 95.3 | Very high | 90 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.7 | -43.8 | -179.9 | -177.8 | 59.3 | 0 | 0 | 0 | 112.7 | V644 F646 V687 I688 R693 I701 I720 V802 L832 | V644-L691 HydrophobicContact CG1-CD1 3.87Å; F646-L691 HydrophobicContact CE2-CD1 4.17Å; F646-L691 HydrophobicContact CZ-CB 4.15Å; F646-L691 HydrophobicContact CZ-CD1 4.26Å; V687-L691 WeakPolarHBondContact O-CB 3.45Å; V687-L691 PolarHBondContact O-N 3.28Å; I688-L691 PolarHBondContact O-N 3.21Å; I688-L691 VanDerWaalsContact O-N 3.14Å; L691-R693 PolarHBondContact O-N 3.32Å; L691-I701 HydrophobicContact CD1-CG2 4.39Å; L691-I720 HydrophobicContact CD1-CD1 4.36Å; L691-I720 HydrophobicContact CG-CD1 4.24Å; L691-V802 HydrophobicContact CD2-CG2 3.75Å; L691-L832 HydrophobicContact CD2-CD2 4.24Å |
| 692 | F | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 0.7 | 178.5 | -79.3 | -90.4 | 0 | 0 | 0 | 113.6 | M28 I688 A690 L694 R717 I720 I722 V802 | M28-F692 HydrophobicContact CB-CD1 4.1Å; M28-F692 HydrophobicContact CB-CE1 4.17Å; M28-F692 HydrophobicContact CG-CD1 4.16Å; M28-F692 HydrophobicContact CG-CG 4.19Å; I688-F692 HydrophobicContact CG2-CD2 3.6Å; I688-F692 HydrophobicContact CG2-CE2 3.87Å; I688-F692 WeakPolarHBondContact O-CD2 3.43Å; I688-F692 PolarHBondContact O-N 2.79Å; A690-F692 PolarHBondContact O-N 3.44Å; F692-L694 HydrophobicContact CB-CD1 4.5Å; F692-L694 HydrophobicContact CB-CD2 4.32Å; F692-L694 HydrophobicContact CB-CG 3.93Å; F692-L694 PolarHBondContact O-N 2.81Å; F692-R717 HydrophobicContact CD1-CG 4.16Å; F692-R717 PolarHBondContact O-NE 2.92Å; F692-I720 HydrophobicContact CE1-CB 3.99Å; F692-I720 HydrophobicContact CE1-CG2 3.98Å; F692-I720 HydrophobicContact CE2-CG2 4.08Å; F692-I720 HydrophobicContact CZ-CB 3.97Å; F692-I720 HydrophobicContact CZ-CG2 3.43Å; F692-I720 VanDerWaalsContact CZ-CG2 3.43Å; F692-I722 HydrophobicContact CD2-CD1 4.5Å; F692-I722 HydrophobicContact CE2-CB 4.35Å; F692-I722 HydrophobicContact CE2-CD1 3.75Å; F692-I722 HydrophobicContact CZ-CB 3.81Å; F692-I722 HydrophobicContact CZ-CD1 4.03Å; F692-I722 HydrophobicContact CZ-CG1 4.5Å; F692-I722 HydrophobicContact CZ-CG2 4.16Å; F692-V802 HydrophobicContact CE2-CB 4.39Å; F692-V802 HydrophobicContact CE2-CG2 4.13Å |
| 693 | R | 94.7 | Very high | 92.1 | Very high | 14 Ų | 14 | 23.5 Ų | 23.5 | 5% | 0.053 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 50 | -172.8 | -65.9 | 178.3 | 59.7 | -150.6 | -6.6 | 111.5 | T689 A690 L691 E696 T708 L711 L713 L716 R717 | T689-R693 PolarHBondContact O-N 3.36Å; A690-R693 PolarHBondContact O-N 3.19Å; A690-R693 VanDerWaalsContact O-N 3.12Å; L691-R693 PolarHBondContact O-N 3.32Å; R693-E696 IonicContact CZ-OE1 2.6Å; R693-E696 IonicContact CZ-OE2 3.91Å; R693-E696 IonicContact NE-OE1 3.13Å; R693-E696 PolarHBondContact NE-OE1 3.05Å; R693-E696 IonicContact NE-OE2 2.89Å; R693-E696 PolarHBondContact NE-OE2 3.4Å; R693-E696 VanDerWaalsContact NH2-CD 3.35Å; R693-E696 IonicContact NH2-OE1 2.67Å; R693-E696 PolarHBondContact NH2-OE1 3.45Å; R693-E696 IonicContact NH2-OE2 3.71Å; R693-E696 PolarHBondContact NH2-OE2 2.95Å; R693-T708 PolarHBondContact NH1-O 2.82Å; R693-L711 PolarHBondContact NH1-O 3.47Å; R693-L713 HydrophobicContact CB-CD2 3.87Å; R693-L716 HydrophobicContact CB-CD2 4.42Å; R693-L716 HydrophobicContact CG-CD2 4.04Å; R693-R717 PolarHBondContact O-NH2 3.05Å |
| 694 | L | 92 | Very high | 92.6 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -77.6 | -31 | 172.1 | -62.7 | -178.8 | 0 | 0 | 0 | 111 | R24 K27 M28 S496 I497 T689 F692 | R24-L694 HydrophobicContact CG-CD1 4.13Å; K27-L694 HydrophobicContact CB-CD2 3.79Å; K27-L694 HydrophobicContact CD-CD2 4.42Å; M28-L694 HydrophobicContact CE-CD1 3.54Å; M28-L694 HydrophobicContact CG-CD1 4.07Å; M28-L694 HydrophobicContact CG-CD2 4.46Å; S496-L694 PolarHBondContact OG-O 3.28Å; I497-L694 HydrophobicContact CG2-CB 4.26Å; T689-L694 HydrophobicContact CG2-CB 3.9Å; T689-L694 PolarHBondContact O-N 3.02Å; F692-L694 HydrophobicContact CB-CD1 4.5Å; F692-L694 HydrophobicContact CB-CD2 4.32Å; F692-L694 HydrophobicContact CB-CG 3.93Å; F692-L694 PolarHBondContact O-N 2.81Å |
| 695 | V | 90.7 | Very high | 92.8 | Very high | 14 Ų | 14 | 30 Ų | 30 | 9% | 0.085 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -129.1 | 134.4 | 165.6 | 178 | 0 | 0 | 0 | 0 | 105.6 | I497 V498 L651 R652 Y653 T689 P697 | I497-V695 HydrophobicContact CG2-CG2 3.91Å; V498-V695 HydrophobicContact CG2-CG2 3.99Å; L651-V695 HydrophobicContact CD1-CB 4.08Å; L651-V695 HydrophobicContact CD1-CG1 3.97Å; R652-V695 WeakPolarHBondContact O-CG1 3.36Å; Y653-V695 HydrophobicContact CD1-CG2 3.72Å; Y653-V695 HydrophobicContact CE1-CG2 3.88Å; T689-V695 HydrophobicContact CG2-CB 3.91Å; T689-V695 HydrophobicContact CG2-CG2 3.79Å; V695-P697 VanDerWaalsContact O-CD 3.28Å; V695-P697 WeakPolarHBondContact O-CD 3.43Å |
| 696 | E | 90.8 | Very high | 93.1 | Very high | 90 Ų | 90 | 29.8 Ų | 29.8 | 42% | 0.421 | 16% | 0.162 | S | C | . | . | P | Polyproline II helix | trans | -67.9 | 120.1 | -177.6 | -68.4 | -63.8 | 168.8 | 0 | 0 | 110.2 | A626 R693 | A626-E696 WeakPolarHBondContact CB-OE1 3.09Å; R693-E696 IonicContact CZ-OE1 2.6Å; R693-E696 IonicContact CZ-OE2 3.91Å; R693-E696 IonicContact NE-OE1 3.13Å; R693-E696 PolarHBondContact NE-OE1 3.05Å; R693-E696 IonicContact NE-OE2 2.89Å; R693-E696 PolarHBondContact NE-OE2 3.4Å; R693-E696 VanDerWaalsContact NH2-CD 3.35Å; R693-E696 IonicContact NH2-OE1 2.67Å; R693-E696 PolarHBondContact NH2-OE1 3.45Å; R693-E696 IonicContact NH2-OE2 3.71Å; R693-E696 PolarHBondContact NH2-OE2 2.95Å |
| 697 | P | 92.7 | Very high | 93.3 | Very high | 26 Ų | 26 | 30.7 Ų | 30.7 | 17% | 0.169 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -76.8 | 150.1 | 175.4 | 30.3 | -31.2 | 0 | 0 | 0 | 111.5 | V649 L651 A690 V695 I701 | V649-P697 HydrophobicContact CG1-CB 3.86Å; L651-P697 HydrophobicContact CD1-CB 4.09Å; A690-P697 HydrophobicContact CB-CB 4.21Å; A690-P697 HydrophobicContact CB-CG 4.46Å; V695-P697 VanDerWaalsContact O-CD 3.28Å; V695-P697 WeakPolarHBondContact O-CD 3.43Å; P697-I701 HydrophobicContact CG-CD1 4Å |
| 698 | E | 92.8 | Very high | 93.3 | Very high | 80 Ų | 80 | 30.8 Ų | 30.8 | 37% | 0.374 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 145.7 | 160 | -64.3 | -178.7 | -166.9 | 0 | 0 | 108.7 | V649 S650 R652 Y659 | V649-E698 CarbonylContact C-O 3.5Å; V649-E698 VanDerWaalsContact CA-O 3.27Å; V649-E698 WeakPolarHBondContact CA-O 3.21Å; S650-E698 PolarHBondContact N-O 3.47Å; S650-E698 PolarHBondContact O-N 3.47Å; R652-E698 IonicContact CZ-OE1 3.13Å; R652-E698 IonicContact NE-OE1 3.32Å; R652-E698 PolarHBondContact NE-OE1 3.02Å; R652-E698 IonicContact NH2-OE1 2.7Å; R652-E698 PolarHBondContact NH2-OE1 2.86Å; Y659-E698 PolarHBondContact OH-OE1 3.36Å; Y659-E698 VanDerWaalsContact OH-OE1 3.09Å; Y659-E698 PolarHBondContact OH-OE2 3.14Å |
| 699 | G | 92.3 | Very high | 93.2 | Very high | 46 Ų | 46 | 33.9 Ų | 33.9 | 47% | 0.474 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 96.6 | -162 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 700 | Q | 94.8 | Very high | 93.1 | Very high | 87 Ų | 87 | 38 Ų | 38 | 41% | 0.407 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 133.7 | -175.1 | -63.2 | 175.7 | -18 | 0 | 0 | 111.4 | K647 Y702 | K647-Q700 PolarHBondContact N-O 3.1Å; K647-Q700 PolarHBondContact O-N 3.39Å; Q700-Y702 HydrophobicContact CB-CD2 4.29Å; Q700-Y702 HydrophobicContact CB-CE2 3.53Å; Q700-Y702 VanDerWaalsContact CD-OH 3.29Å; Q700-Y702 HydrophobicContact CG-CE2 4.45Å; Q700-Y702 PolarHBondContact OE1-OH 2.89Å |
| 701 | I | 96.1 | Very high | 93 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.4 | 172.4 | -58.7 | 169.8 | 0 | 0 | 0 | 107.7 | V644 V645 F646 V649 A690 L691 P697 N707 T708 | V644-I701 HydrophobicContact CG1-CG2 4.27Å; V645-I701 CarbonylContact O-C 3.5Å; V645-I701 WeakPolarHBondContact O-CA 3.44Å; F646-I701 HydrophobicContact CD1-CD1 4.2Å; F646-I701 HydrophobicContact CD1-CG1 4.08Å; F646-I701 HydrophobicContact CD2-CG2 4.29Å; F646-I701 HydrophobicContact CE1-CD1 3.69Å; F646-I701 HydrophobicContact CE1-CG1 4.07Å; F646-I701 HydrophobicContact CE2-CG2 4.08Å; F646-I701 HydrophobicContact CG-CG1 4.33Å; F646-I701 HydrophobicContact CZ-CD1 3.89Å; F646-I701 HydrophobicContact CZ-CG1 4.32Å; F646-I701 HydrophobicContact CZ-CG2 4.41Å; V649-I701 HydrophobicContact CG1-CD1 4.48Å; V649-I701 HydrophobicContact CG2-CD1 4.32Å; V649-I701 HydrophobicContact CG2-CG1 3.66Å; A690-I701 HydrophobicContact CB-CD1 4.18Å; L691-I701 HydrophobicContact CD1-CG2 4.39Å; P697-I701 HydrophobicContact CG-CD1 4Å; I701-N707 PolarHBondContact O-OD1 3.35Å; I701-T708 HydrophobicContact CB-CG2 4.37Å; I701-T708 WeakPolarHBondContact CB-OG1 3.17Å; I701-T708 HydrophobicContact CG2-CG2 4.03Å; I701-T708 WeakPolarHBondContact O-CB 3.3Å; I701-T708 WeakPolarHBondContact O-CG2 3.35Å; I701-T708 PolarHBondContact O-N 2.81Å; I701-T708 PolarHBondContact O-OG1 3.27Å |
| 702 | Y | 96.3 | Very high | 92.9 | Very high | 46 Ų | 46 | 38.5 Ų | 38.5 | 18% | 0.18 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 141.5 | 177.7 | -62 | -97.5 | 0 | 0 | 0 | 110.5 | V644 V645 K647 Q700 V706 N707 | V644-Y702 CarbonylContact C-O 3.53Å; V644-Y702 WeakPolarHBondContact CA-O 3.27Å; V645-Y702 PolarHBondContact N-O 3.43Å; V645-Y702 PolarHBondContact O-N 3.31Å; K647-Y702 HydrophobicContact CD-CD2 4.23Å; K647-Y702 HydrophobicContact CD-CE2 3.86Å; K647-Y702 HydrophobicContact CG-CD2 4.47Å; K647-Y702 HydrophobicContact CG-CE2 4.41Å; Q700-Y702 HydrophobicContact CB-CD2 4.29Å; Q700-Y702 HydrophobicContact CB-CE2 3.53Å; Q700-Y702 VanDerWaalsContact CD-OH 3.29Å; Q700-Y702 HydrophobicContact CG-CE2 4.45Å; Q700-Y702 PolarHBondContact OE1-OH 2.89Å; Y702-V706 CarbonylContact C-O 3.53Å; Y702-V706 VanDerWaalsContact CA-O 3.29Å; Y702-V706 WeakPolarHBondContact CA-O 3.35Å; Y702-N707 HydrophobicContact CD1-CB 4.1Å; Y702-N707 HydrophobicContact CE1-CB 3.88Å |
| 703 | I | 95.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 119.7 | 168.7 | -63.4 | 177.4 | 0 | 0 | 0 | 108.3 | W638 P639 E643 V644 N705 V706 T708 L716 I720 I800 | W638-I703 HydrophobicContact CH2-CB 4.29Å; W638-I703 HydrophobicContact CH2-CG2 4.2Å; W638-I703 HydrophobicContact CZ2-CB 3.67Å; W638-I703 HydrophobicContact CZ2-CG2 3.65Å; W638-I703 PolarHBondContact NE1-O 3.25Å; W638-I703 VanDerWaalsContact NE1-O 3.09Å; P639-I703 HydrophobicContact CB-CG2 3.85Å; P639-I703 HydrophobicContact CG-CG2 4.36Å; E643-I703 CarbonylContact O-C 3.46Å; E643-I703 VanDerWaalsContact O-CA 3.24Å; E643-I703 WeakPolarHBondContact O-CA 3.49Å; V644-I703 HydrophobicContact CG1-CG1 4.24Å; V644-I703 HydrophobicContact CG2-CG1 4.21Å; I703-N705 VanDerWaalsContact C-N 3.29Å; I703-N705 PolarHBondContact O-N 3.49Å; I703-V706 PolarHBondContact N-O 3.39Å; I703-V706 WeakPolarHBondContact O-CB 3.43Å; I703-V706 PolarHBondContact O-N 3.44Å; I703-T708 HydrophobicContact CB-CG2 4.41Å; I703-T708 HydrophobicContact CD1-CG2 3.77Å; I703-T708 HydrophobicContact CG1-CG2 3.76Å; I703-L716 HydrophobicContact CD1-CD1 3.61Å; I703-I720 HydrophobicContact CD1-CD1 3.91Å; I703-I800 HydrophobicContact CD1-CD1 4.23Å; I703-I800 HydrophobicContact CG2-CD1 3.69Å |
| 704 | D | 93 | Very high | 92.7 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 11% | 0.112 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.8 | 51.1 | -171.4 | -73 | -1.8 | 0 | 0 | 0 | 112.5 | P639 S640 H641 G642 E643 V706 | P639-D704 WeakPolarHBondContact CA-OD2 3.15Å; P639-D704 WeakPolarHBondContact CB-OD2 3.13Å; S640-D704 PolarHBondContact N-OD2 3.18Å; S640-D704 PolarHBondContact OG-OD2 3.4Å; H641-D704 PolarHBondContact N-OD2 3.2Å; G642-D704 PolarHBondContact N-OD1 3.08Å; G642-D704 PolarHBondContact N-OD2 3.27Å; E643-D704 PolarHBondContact N-OD1 3.44Å; E643-D704 PolarHBondContact O-N 2.96Å; D704-V706 PolarHBondContact O-N 3.42Å; D704-V706 VanDerWaalsContact O-N 3.1Å |
| 705 | N | 90.2 | Very high | 92.7 | Very high | 132 Ų | 132 | 40.9 Ų | 40.9 | 71% | 0.706 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 2 | -176.5 | -60.6 | -57 | 0 | 0 | 0 | 117 | I703 | I703-N705 VanDerWaalsContact C-N 3.29Å; I703-N705 PolarHBondContact O-N 3.49Å |
| 706 | V | 92.6 | Very high | 92.8 | Very high | 43 Ų | 43 | 40.2 Ų | 40.2 | 26% | 0.261 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 126.8 | 174.2 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | W638 Y702 I703 D704 T708 L711 | W638-V706 HydrophobicContact CZ2-CB 4.14Å; W638-V706 HydrophobicContact CZ2-CG1 4.49Å; Y702-V706 CarbonylContact C-O 3.53Å; Y702-V706 VanDerWaalsContact CA-O 3.29Å; Y702-V706 WeakPolarHBondContact CA-O 3.35Å; I703-V706 PolarHBondContact N-O 3.39Å; I703-V706 WeakPolarHBondContact O-CB 3.43Å; I703-V706 PolarHBondContact O-N 3.44Å; D704-V706 PolarHBondContact O-N 3.42Å; D704-V706 VanDerWaalsContact O-N 3.1Å; V706-T708 PolarHBondContact O-N 3.03Å; V706-L711 HydrophobicContact CG1-CD1 4.05Å; V706-L711 HydrophobicContact CG1-CD2 3.94Å; V706-L711 HydrophobicContact CG1-CG 4.08Å |
| 707 | N | 93.3 | Very high | 93 | Very high | 28 Ų | 28 | 35.9 Ų | 35.9 | 15% | 0.15 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 123.3 | 176.2 | -171.4 | -15.9 | 0 | 0 | 0 | 110 | I701 Y702 S709 T710 | I701-N707 PolarHBondContact O-OD1 3.35Å; Y702-N707 HydrophobicContact CD1-CB 4.1Å; Y702-N707 HydrophobicContact CE1-CB 3.88Å; N707-S709 VanDerWaalsContact CG-OG 3.3Å; N707-S709 PolarHBondContact ND2-OG 3.4Å; N707-S709 PolarHBondContact O-N 3.45Å; N707-S709 PolarHBondContact OD1-N 2.95Å; N707-S709 PolarHBondContact OD1-OG 3.04Å; N707-S709 VanDerWaalsContact OD1-OG 3.06Å; N707-T710 PolarHBondContact O-N 3.28Å; N707-T710 PolarHBondContact O-OG1 3.16Å |
| 708 | T | 92.7 | Very high | 93 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -63.8 | -23.1 | -179.6 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | R693 I701 I703 V706 T710 L711 L716 | R693-T708 PolarHBondContact NH1-O 2.82Å; I701-T708 HydrophobicContact CB-CG2 4.37Å; I701-T708 WeakPolarHBondContact CB-OG1 3.17Å; I701-T708 HydrophobicContact CG2-CG2 4.03Å; I701-T708 WeakPolarHBondContact O-CB 3.3Å; I701-T708 WeakPolarHBondContact O-CG2 3.35Å; I701-T708 PolarHBondContact O-N 2.81Å; I701-T708 PolarHBondContact O-OG1 3.27Å; I703-T708 HydrophobicContact CB-CG2 4.41Å; I703-T708 HydrophobicContact CD1-CG2 3.77Å; I703-T708 HydrophobicContact CG1-CG2 3.76Å; V706-T708 PolarHBondContact O-N 3.03Å; T708-T710 VanDerWaalsContact C-N 3.31Å; T708-T710 PolarHBondContact O-N 3.02Å; T708-L711 PolarHBondContact O-N 3.21Å; T708-L716 HydrophobicContact CG2-CD1 3.88Å; T708-L716 HydrophobicContact CG2-CD2 4.48Å |
| 709 | S | 90.9 | Very high | 93 | Very high | 66 Ų | 66 | 37.9 Ų | 37.9 | 46% | 0.462 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -70.3 | -24.1 | 179.6 | 70.4 | 0 | 0 | 0 | 0 | 113.9 | N707 | N707-S709 VanDerWaalsContact CG-OG 3.3Å; N707-S709 PolarHBondContact ND2-OG 3.4Å; N707-S709 PolarHBondContact O-N 3.45Å; N707-S709 PolarHBondContact OD1-N 2.95Å; N707-S709 PolarHBondContact OD1-OG 3.04Å; N707-S709 VanDerWaalsContact OD1-OG 3.06Å |
| 710 | T | 90.6 | Very high | 93.1 | Very high | 95 Ų | 95 | 35.8 Ų | 35.8 | 58% | 0.583 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -85.7 | -12.9 | 178.4 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | S630 N707 T708 | S630-T710 WeakPolarHBondContact CB-O 3.41Å; N707-T710 PolarHBondContact O-N 3.28Å; N707-T710 PolarHBondContact O-OG1 3.16Å; T708-T710 VanDerWaalsContact C-N 3.31Å; T708-T710 PolarHBondContact O-N 3.02Å |
| 711 | L | 91.4 | Very high | 93.1 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -84.7 | 151.9 | -178.5 | -63 | 177.8 | 0 | 0 | 0 | 112.1 | P634 W638 R693 V706 T708 | P634-L711 VanDerWaalsContact CD-CD2 3.5Å; P634-L711 HydrophobicContact CG-CD2 3.79Å; W638-L711 HydrophobicContact CH2-CD1 3.15Å; W638-L711 HydrophobicContact CZ2-CD1 3.55Å; W638-L711 HydrophobicContact CZ3-CD1 3.81Å; R693-L711 PolarHBondContact NH1-O 3.47Å; V706-L711 HydrophobicContact CG1-CD1 4.05Å; V706-L711 HydrophobicContact CG1-CD2 3.94Å; V706-L711 HydrophobicContact CG1-CG 4.08Å; T708-L711 PolarHBondContact O-N 3.21Å |
| 712 | G | 92.8 | Very high | 93 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | trans | -68.6 | 145.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | E627 L628 H714 E715 L716 | E627-G712 WeakPolarHBondContact O-CA 3.38Å; L628-G712 CarbonylContact O-C 3.58Å; L628-G712 VanDerWaalsContact O-C 3.26Å; L628-G712 WeakPolarHBondContact O-CA 3.18Å; G712-H714 VanDerWaalsContact C-N 3.3Å; G712-H714 PolarHBondContact O-N 3.49Å; G712-E715 PolarHBondContact N-OE2 3.18Å; G712-E715 WeakPolarHBondContact O-CB 3.25Å; G712-E715 PolarHBondContact O-N 3.2Å; G712-E715 VanDerWaalsContact O-N 3.13Å; G712-L716 PolarHBondContact O-N 2.85Å | ||
| 713 | L | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.3 | -36.6 | -177.2 | -64.8 | 175.8 | 0 | 0 | 0 | 112.9 | E625 A626 E627 L628 R693 R717 | E625-L713 HydrophobicContact CB-CD1 3.73Å; A626-L713 HydrophobicContact CB-CD1 3.99Å; A626-L713 HydrophobicContact CB-CD2 4.24Å; A626-L713 HydrophobicContact CB-CG 4.05Å; A626-L713 WeakPolarHBondContact O-CD1 3.41Å; E627-L713 PolarHBondContact O-N 3.41Å; L628-L713 HydrophobicContact CD2-CB 4.44Å; L628-L713 PolarHBondContact O-N 2.95Å; R693-L713 HydrophobicContact CB-CD2 3.87Å; L713-R717 WeakPolarHBondContact O-CB 3.45Å; L713-R717 VanDerWaalsContact O-CD 3.3Å; L713-R717 WeakPolarHBondContact O-CD 3.34Å; L713-R717 WeakPolarHBondContact O-CG 3.28Å; L713-R717 PolarHBondContact O-N 2.95Å |
| 714 | H | 92.4 | Very high | 92.5 | Very high | 30 Ų | 30 | 29.8 Ų | 29.8 | 14% | 0.139 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71 | -35.4 | 176.3 | -77.9 | -175.6 | 0 | 0 | 0 | 112 | E32 L628 G712 L716 K718 | E32-H714 IonicContact OE2-NE2 2.98Å; E32-H714 PolarHBondContact OE2-NE2 3.38Å; L628-H714 WeakPolarHBondContact CD2-NE2 3.43Å; L628-H714 WeakPolarHBondContact O-CB 3.47Å; L628-H714 PolarHBondContact O-N 2.95Å; G712-H714 VanDerWaalsContact C-N 3.3Å; G712-H714 PolarHBondContact O-N 3.49Å; H714-L716 VanDerWaalsContact C-N 3.32Å; H714-L716 PolarHBondContact O-N 2.95Å; H714-K718 WeakPolarHBondContact O-CB 3.32Å; H714-K718 WeakPolarHBondContact O-CG 3.49Å; H714-K718 PolarHBondContact O-N 2.7Å |
| 715 | E | 91.5 | Very high | 91.9 | Very high | 37 Ų | 37 | 32.3 Ų | 32.3 | 17% | 0.173 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.6 | -42 | 176.3 | -66.7 | 158.2 | -163.8 | 0 | 0 | 110.8 | T629 S630 G712 K719 | T629-E715 WeakPolarHBondContact CA-OE1 3.4Å; S630-E715 WeakPolarHBondContact CB-OE2 3.42Å; S630-E715 PolarHBondContact N-OE1 3.37Å; S630-E715 PolarHBondContact N-OE2 3.03Å; S630-E715 PolarHBondContact OG-OE1 2.74Å; S630-E715 PolarHBondContact OG-OE2 3.46Å; G712-E715 PolarHBondContact N-OE2 3.18Å; G712-E715 WeakPolarHBondContact O-CB 3.25Å; G712-E715 PolarHBondContact O-N 3.2Å; G712-E715 VanDerWaalsContact O-N 3.13Å; E715-K719 VanDerWaalsContact O-CG 3.3Å; E715-K719 WeakPolarHBondContact O-CG 3.43Å |
| 716 | L | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.5 | -58.8 | 176 | 177.6 | 63.4 | 0 | 0 | 0 | 112 | W638 R693 I703 T708 G712 H714 K718 K719 I720 | W638-L716 HydrophobicContact CH2-CD1 4.24Å; R693-L716 HydrophobicContact CB-CD2 4.42Å; R693-L716 HydrophobicContact CG-CD2 4.04Å; I703-L716 HydrophobicContact CD1-CD1 3.61Å; T708-L716 HydrophobicContact CG2-CD1 3.88Å; T708-L716 HydrophobicContact CG2-CD2 4.48Å; G712-L716 PolarHBondContact O-N 2.85Å; H714-L716 VanDerWaalsContact C-N 3.32Å; H714-L716 PolarHBondContact O-N 2.95Å; L716-K718 VanDerWaalsContact C-N 3.29Å; L716-K718 PolarHBondContact O-N 3.48Å; L716-K719 PolarHBondContact O-N 3.02Å; L716-I720 HydrophobicContact CD1-CD1 3.9Å; L716-I720 HydrophobicContact CG-CD1 4.34Å |
| 717 | R | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.8 | -31.5 | -170.9 | -65.4 | 164.4 | 174.6 | 176.9 | 7.9 | 111.7 | K27 A30 E32 E625 F692 R693 L713 K719 I720 R796 | K27-R717 VanDerWaalsContact O-CD 3.3Å; K27-R717 WeakPolarHBondContact O-CD 3.46Å; A30-R717 HydrophobicContact CB-CB 4.08Å; E32-R717 IonicContact OE1-NH1 3.59Å; E32-R717 PolarHBondContact OE1-NH1 3.24Å; E625-R717 IonicContact OE2-CZ 2.72Å; E625-R717 IonicContact OE2-NH1 2.75Å; E625-R717 PolarHBondContact OE2-NH1 3.05Å; E625-R717 VanDerWaalsContact OE2-NH1 3.14Å; E625-R717 IonicContact OE2-NH2 3.03Å; E625-R717 PolarHBondContact OE2-NH2 2.89Å; F692-R717 HydrophobicContact CD1-CG 4.16Å; F692-R717 PolarHBondContact O-NE 2.92Å; R693-R717 PolarHBondContact O-NH2 3.05Å; L713-R717 WeakPolarHBondContact O-CB 3.45Å; L713-R717 VanDerWaalsContact O-CD 3.3Å; L713-R717 WeakPolarHBondContact O-CD 3.34Å; L713-R717 WeakPolarHBondContact O-CG 3.28Å; L713-R717 PolarHBondContact O-N 2.95Å; R717-K719 VanDerWaalsContact C-N 3.25Å; R717-K719 PolarHBondContact O-N 3.41Å; R717-I720 PolarHBondContact O-N 3.04Å; R717-R796 PolarHBondContact O-NH2 3.42Å |
| 718 | K | 92 | Very high | 90.5 | Very high | 82 Ų | 82 | 29.7 Ų | 29.7 | 36% | 0.357 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.7 | -24 | 174.3 | -76.3 | -173.8 | 173.2 | -154.8 | 0 | 113.6 | A30 H714 L716 R796 N798 | A30-K718 HydrophobicContact CB-CG 3.89Å; H714-K718 WeakPolarHBondContact O-CB 3.32Å; H714-K718 WeakPolarHBondContact O-CG 3.49Å; H714-K718 PolarHBondContact O-N 2.7Å; L716-K718 VanDerWaalsContact C-N 3.29Å; L716-K718 PolarHBondContact O-N 3.48Å; K718-R796 PolarHBondContact O-NH2 3.17Å; K718-N798 PolarHBondContact O-ND2 3.12Å; K718-N798 VanDerWaalsContact O-ND2 3.15Å; K718-N798 PolarHBondContact O-OD1 3.4Å |
| 719 | K | 92.9 | Very high | 90.4 | Very high | 66 Ų | 66 | 29.6 Ų | 29.6 | 29% | 0.287 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 0.3 | -177.1 | -64.4 | -63.9 | -171.6 | 164.3 | 0 | 114.9 | E636 W638 P639 E715 L716 R717 N798 | E636-K719 PolarHBondContact O-NZ 2.92Å; W638-K719 HydrophobicContact CE3-CG 4.23Å; W638-K719 HydrophobicContact CZ3-CB 4.23Å; W638-K719 HydrophobicContact CZ3-CG 4.16Å; W638-K719 VanDerWaalsContact O-CD 3.3Å; W638-K719 WeakPolarHBondContact O-CD 3.49Å; W638-K719 WeakPolarHBondContact O-CE 3.18Å; W638-K719 PolarHBondContact O-NZ 2.96Å; P639-K719 HydrophobicContact CG-CB 4.43Å; E715-K719 VanDerWaalsContact O-CG 3.3Å; E715-K719 WeakPolarHBondContact O-CG 3.43Å; L716-K719 PolarHBondContact O-N 3.02Å; R717-K719 VanDerWaalsContact C-N 3.25Å; R717-K719 PolarHBondContact O-N 3.41Å; K719-N798 VanDerWaalsContact C-CG 3.41Å; K719-N798 WeakPolarHBondContact CA-OD1 3.4Å; K719-N798 WeakPolarHBondContact O-CB 3.48Å; K719-N798 VanDerWaalsContact O-CG 3.27Å; K719-N798 PolarHBondContact O-OD1 3.36Å |
| 720 | I | 94.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125.7 | 174.9 | -53.3 | 174.4 | 0 | 0 | 0 | 108.9 | L691 F692 I703 L716 R717 R796 I800 V802 | L691-I720 HydrophobicContact CD1-CD1 4.36Å; L691-I720 HydrophobicContact CG-CD1 4.24Å; F692-I720 HydrophobicContact CE1-CB 3.99Å; F692-I720 HydrophobicContact CE1-CG2 3.98Å; F692-I720 HydrophobicContact CE2-CG2 4.08Å; F692-I720 HydrophobicContact CZ-CB 3.97Å; F692-I720 HydrophobicContact CZ-CG2 3.43Å; F692-I720 VanDerWaalsContact CZ-CG2 3.43Å; I703-I720 HydrophobicContact CD1-CD1 3.91Å; L716-I720 HydrophobicContact CD1-CD1 3.9Å; L716-I720 HydrophobicContact CG-CD1 4.34Å; R717-I720 PolarHBondContact O-N 3.04Å; I720-R796 VanDerWaalsContact O-CZ 3.32Å; I720-R796 PolarHBondContact O-NH1 2.96Å; I720-R796 PolarHBondContact O-NH2 3.23Å; I720-R796 VanDerWaalsContact O-NH2 3.09Å; I720-I800 HydrophobicContact CG2-CB 4.43Å; I720-I800 HydrophobicContact CG2-CG2 4.05Å; I720-V802 HydrophobicContact CG2-CG2 3.87Å |
| 721 | S | 94.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.007 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 141.3 | 172.4 | -73.5 | 0 | 0 | 0 | 0 | 110.4 | A793 N798 I800 L801 V802 | S721-A793 PolarHBondContact OG-O 3.24Å; S721-N798 PolarHBondContact N-ND2 3Å; S721-N798 PolarHBondContact OG-ND2 3.25Å; S721-N798 VanDerWaalsContact OG-ND2 3.1Å; S721-I800 PolarHBondContact N-O 2.89Å; S721-L801 CarbonylContact O-C 3.57Å; S721-L801 WeakPolarHBondContact O-CA 3.38Å; S721-V802 PolarHBondContact O-N 3.32Å |
| 722 | I | 93.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 143.1 | 177.7 | -175.2 | 157.3 | 0 | 0 | 0 | 111.4 | M28 Y29 I688 F692 V802 | M28-I722 HydrophobicContact CB-CG2 4.02Å; M28-I722 HydrophobicContact CE-CD1 4.18Å; M28-I722 HydrophobicContact SD-CD1 3.68Å; Y29-I722 HydrophobicContact CD1-CG2 4.31Å; Y29-I722 HydrophobicContact CE1-CG2 3.89Å; Y29-I722 PolarHBondContact OH-O 2.77Å; Y29-I722 VanDerWaalsContact OH-O 3.06Å; I688-I722 HydrophobicContact CG2-CD1 3.84Å; F692-I722 HydrophobicContact CD2-CD1 4.5Å; F692-I722 HydrophobicContact CE2-CB 4.35Å; F692-I722 HydrophobicContact CE2-CD1 3.75Å; F692-I722 HydrophobicContact CZ-CB 3.81Å; F692-I722 HydrophobicContact CZ-CD1 4.03Å; F692-I722 HydrophobicContact CZ-CG1 4.5Å; F692-I722 HydrophobicContact CZ-CG2 4.16Å; I722-V802 CarbonylContact C-O 3.44Å; I722-V802 VanDerWaalsContact CA-O 3.3Å; I722-V802 WeakPolarHBondContact CA-O 3.27Å; I722-V802 HydrophobicContact CB-CB 4.48Å; I722-V802 HydrophobicContact CD1-CG1 4.32Å; I722-V802 HydrophobicContact CG1-CB 4.33Å |
| 723 | I | 92.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 105.5 | 164.7 | -53.1 | -171.3 | 0 | 0 | 0 | 107 | C789 L790 A793 L801 V802 L803 D804 A806 | I723-C789 HydrophobicContact CG2-CB 4.31Å; I723-L790 HydrophobicContact CD1-CB 4.26Å; I723-L790 HydrophobicContact CD1-CD1 3.4Å; I723-L790 VanDerWaalsContact CD1-CD1 3.4Å; I723-L790 HydrophobicContact CD1-CG 4.43Å; I723-A793 HydrophobicContact CG1-CB 4.36Å; I723-L801 HydrophobicContact CG1-CD1 4.28Å; I723-V802 PolarHBondContact N-O 3.27Å; I723-L803 HydrophobicContact CB-CD2 3.86Å; I723-L803 HydrophobicContact CD1-CD2 3.48Å; I723-L803 VanDerWaalsContact CD1-CD2 3.48Å; I723-L803 HydrophobicContact CG1-CD2 3.73Å; I723-D804 PolarHBondContact O-N 3.25Å; I723-A806 HydrophobicContact CB-CB 4.34Å; I723-A806 HydrophobicContact CG2-CB 3.76Å |
| 724 | P | 88.1 | Confident | 89.7 | Confident | 7 Ų | 7 | 27.5 Ų | 27.5 | 5% | 0.045 | 14% | 0.142 | C | C | . | . | trans | -74.5 | 163.7 | -175.3 | 31.6 | -35.7 | 0 | 0 | 0 | 112.2 | V25 Y29 Q786 D804 | V25-P724 HydrophobicContact CG2-CB 4.31Å; V25-P724 HydrophobicContact CG2-CG 4.49Å; Y29-P724 WeakPolarHBondContact OH-CD 3.16Å; P724-Q786 PolarHBondContact O-NE2 3.15Å; P724-D804 CarbonylContact C-O 3.59Å | ||
| 725 | Q | 80.5 | Confident | 89.8 | Confident | 73 Ų | 73 | 31.2 Ų | 31.2 | 34% | 0.341 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -60.9 | -46.3 | 173.2 | -177.2 | 175.7 | 21.2 | 0 | 0 | 111.8 | P727 D804 E805 | Q725-P727 WeakPolarHBondContact O-CD 3.24Å; Q725-D804 WeakPolarHBondContact CA-O 3.4Å; Q725-D804 PolarHBondContact N-O 3.36Å; Q725-E805 HydrophobicContact CG-CB 4.25Å; Q725-E805 PolarHBondContact NE2-OE2 2.96Å |
| 726 | D | 76.6 | Confident | 89.7 | Confident | 100 Ų | 100 | 34.9 Ų | 34.9 | 54% | 0.535 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -102.7 | 104.9 | 177 | -65.2 | -38.5 | 0 | 0 | 0 | 110.2 | I728 | D726-I728 PolarHBondContact O-N 3.13Š|
| 727 | P | 85.4 | Confident | 89.7 | Confident | 10 Ų | 10 | 35 Ų | 35 | 7% | 0.065 | 17% | 0.172 | C | C | . | . | trans | -75.6 | 98.2 | -179.9 | 31.5 | -37.1 | 0 | 0 | 0 | 111 | Q725 R785 Q786 C789 | Q725-P727 WeakPolarHBondContact O-CD 3.24Å; P727-R785 HydrophobicContact CB-CB 3.84Å; P727-R785 HydrophobicContact CG-CB 3.72Å; P727-Q786 VanDerWaalsContact CB-OE1 3.28Å; P727-C789 VanDerWaalsContact CB-SG 3.57Å | ||
| 728 | I | 85.9 | Confident | 89.6 | Confident | 39 Ų | 39 | 35.3 Ų | 35.3 | 20% | 0.2 | 17% | 0.174 | C | C | . | . | trans | -88.1 | 127.4 | -179.8 | -56.8 | 173.7 | 0 | 0 | 0 | 110.8 | A22 V25 D726 F730 R792 | A22-I728 HydrophobicContact CB-CD1 3.71Å; A22-I728 HydrophobicContact CB-CG2 4.04Å; V25-I728 HydrophobicContact CG2-CD1 4.03Å; D726-I728 PolarHBondContact O-N 3.13Å; I728-F730 HydrophobicContact CG2-CE1 4.27Å; I728-F730 HydrophobicContact CG2-CZ 4.2Å; I728-R792 PolarHBondContact O-NH1 3.42Å; I728-R792 PolarHBondContact O-NH2 3.38Å | ||
| 729 | L | 89.6 | Confident | 89.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -107.9 | 144.1 | 163.5 | -54.5 | -178.5 | 0 | 0 | 0 | 109 | T773 G776 F780 R785 I788 | L729-T773 HydrophobicContact CD1-CG2 4.49Å; L729-G776 CarbonylContact O-C 3.58Å; L729-G776 VanDerWaalsContact O-CA 3.23Å; L729-G776 WeakPolarHBondContact O-CA 3.39Å; L729-G776 PolarHBondContact O-N 3.02Å; L729-F780 HydrophobicContact CD1-CD2 3.74Å; L729-F780 HydrophobicContact CD1-CE2 4.29Å; L729-F780 HydrophobicContact CD1-CG 4.31Å; L729-R785 HydrophobicContact CD1-CG 3.96Å; L729-R785 HydrophobicContact CG-CG 4.27Å; L729-I788 HydrophobicContact CD1-CD1 3.79Å; L729-I788 HydrophobicContact CD2-CB 4.32Å; L729-I788 HydrophobicContact CD2-CG2 3.62Å | ||
| 730 | F | 89 | Confident | 89.5 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | trans | -99.1 | 154.4 | -177.3 | -59.8 | -84.9 | 0 | 0 | 0 | 111.1 | E18 A22 I26 W31 F35 I728 G732 N737 T773 | E18-F730 HydrophobicContact CG-CD1 4.02Å; E18-F730 VanDerWaalsContact OE1-CA 3.26Å; E18-F730 WeakPolarHBondContact OE1-CA 3.32Å; A22-F730 HydrophobicContact CB-CE1 3.54Å; A22-F730 HydrophobicContact CB-CZ 3.79Å; I26-F730 HydrophobicContact CD1-CE1 3.82Å; I26-F730 HydrophobicContact CD1-CZ 4Å; I26-F730 HydrophobicContact CG1-CE1 3.99Å; I26-F730 HydrophobicContact CG1-CZ 3.63Å; W31-F730 HydrophobicContact CE3-CE2 4.05Å; W31-F730 HydrophobicContact CZ3-CD2 4.34Å; W31-F730 AromaticContact CZ3-CE2 3.88Å; W31-F730 HydrophobicContact CZ3-CE2 3.88Å; F35-F730 HydrophobicContact CE1-CB 4.14Å; F35-F730 AromaticContact CE1-CD1 3.65Å; F35-F730 HydrophobicContact CE1-CD1 3.65Å; F35-F730 HydrophobicContact CE1-CD2 4.28Å; F35-F730 HydrophobicContact CE1-CE1 4.1Å; F35-F730 AromaticContact CE1-CG 3.75Å; F35-F730 HydrophobicContact CE1-CG 3.75Å; F35-F730 HydrophobicContact CE2-CD2 4.38Å; F35-F730 HydrophobicContact CE2-CE1 4.3Å; F35-F730 HydrophobicContact CE2-CE2 4.13Å; F35-F730 HydrophobicContact CE2-CZ 4.09Å; F35-F730 HydrophobicContact CZ-CB 4.18Å; F35-F730 AromaticContact CZ-CD1 3.57Å; F35-F730 HydrophobicContact CZ-CD1 3.57Å; F35-F730 AromaticContact CZ-CD2 3.51Å; F35-F730 HydrophobicContact CZ-CD2 3.51Å; F35-F730 AromaticContact CZ-CE1 3.73Å; F35-F730 HydrophobicContact CZ-CE1 3.73Å; F35-F730 AromaticContact CZ-CE2 3.68Å; F35-F730 HydrophobicContact CZ-CE2 3.68Å; F35-F730 AromaticContact CZ-CG 3.45Å; F35-F730 HydrophobicContact CZ-CG 3.45Å; F35-F730 VanDerWaalsContact CZ-CG 3.45Å; F35-F730 AromaticContact CZ-CZ 3.8Å; F35-F730 HydrophobicContact CZ-CZ 3.8Å; I728-F730 HydrophobicContact CG2-CE1 4.27Å; I728-F730 HydrophobicContact CG2-CZ 4.2Å; F730-G732 PolarHBondContact O-N 2.96Å; F730-N737 PolarHBondContact N-OD1 2.81Å; F730-N737 PolarHBondContact O-ND2 3.41Å; F730-N737 PolarHBondContact O-OD1 3.42Å; F730-T773 WeakPolarHBondContact O-CB 3.11Å; F730-T773 PolarHBondContact O-OG1 2.91Å | ||
| 731 | L | 85.6 | Confident | 89.2 | Confident | 65 Ų | 65 | 33.8 Ų | 33.8 | 34% | 0.34 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -60.2 | 120.5 | 171.9 | -171.8 | 109.6 | 0 | 0 | 0 | 111 | E18 E775 | E18-L731 VanDerWaalsContact CD-N 3.33Å; E18-L731 PolarHBondContact OE1-N 3.48Å; E18-L731 WeakPolarHBondContact OE2-CB 3.32Å; E18-L731 PolarHBondContact OE2-N 3.41Å; L731-E775 HydrophobicContact CD1-CG 3.96Å |
| 732 | G | 85.8 | Confident | 88.9 | Confident | 20 Ų | 20 | 36.2 Ų | 36.2 | 21% | 0.206 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.2 | -153 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F730 C772 T773 | F730-G732 PolarHBondContact O-N 2.96Å; G732-C772 CarbonylContact O-C 3.57Å; G732-C772 VanDerWaalsContact O-CA 3.3Å; G732-C772 WeakPolarHBondContact O-CA 3.16Å; G732-T773 PolarHBondContact N-OG1 3.05Å; G732-T773 VanDerWaalsContact N-OG1 3.1Å; G732-T773 PolarHBondContact O-N 3.35Å; G732-T773 PolarHBondContact O-OG1 3.36Å |
| 733 | T | 91.4 | Very high | 88.7 | Confident | 37 Ų | 37 | 42.1 Ų | 42.1 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 156.3 | 168.2 | 56.8 | 0 | 0 | 0 | 0 | 110.5 | R735 Q736 N737 A771 | T733-R735 PolarHBondContact O-N 3.35Å; T733-Q736 PolarHBondContact O-N 3.37Å; T733-Q736 WeakPolarHBondContact OG1-CB 3.44Å; T733-Q736 VanDerWaalsContact OG1-CG 3.23Å; T733-Q736 WeakPolarHBondContact OG1-CG 3.23Å; T733-Q736 PolarHBondContact OG1-N 3.31Å; T733-Q736 PolarHBondContact OG1-OE1 3.49Å; T733-Q736 VanDerWaalsContact OG1-OE1 3.09Å; T733-N737 PolarHBondContact O-N 3.15Å; T733-N737 VanDerWaalsContact O-N 3.09Å; T733-N737 PolarHBondContact O-ND2 2.9Å; T733-A771 CarbonylContact C-O 3.38Å; T733-A771 WeakPolarHBondContact CA-O 3.24Å |
| 734 | L | 92.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.2 | -37 | 172.6 | -174.3 | 62.7 | 0 | 0 | 0 | 111.4 | N737 L738 V762 L769 A771 T773 F780 I788 | L734-N737 WeakPolarHBondContact O-CB 3.38Å; L734-N737 PolarHBondContact O-N 2.96Å; L734-N737 VanDerWaalsContact O-N 3.14Å; L734-L738 HydrophobicContact CG-CD1 4.08Å; L734-L738 WeakPolarHBondContact O-CG 3.39Å; L734-L738 PolarHBondContact O-N 3.44Å; L734-V762 HydrophobicContact CD2-CB 4.3Å; L734-V762 HydrophobicContact CD2-CG1 3.58Å; L734-V762 HydrophobicContact CD2-CG2 3.67Å; L734-L769 PolarHBondContact N-O 3.24Å; L734-A771 PolarHBondContact N-O 3.49Å; L734-T773 HydrophobicContact CD1-CG2 4.44Å; L734-F780 HydrophobicContact CD1-CZ 4.41Å; L734-I788 HydrophobicContact CD1-CD1 3.95Å; L734-I788 HydrophobicContact CD1-CG1 4.44Å; L734-I788 HydrophobicContact CD1-CG2 4.43Å |
| 735 | R | 94.3 | Very high | 89.1 | Confident | 108 Ų | 108 | 46.4 Ų | 46.4 | 41% | 0.408 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -54.9 | -52.7 | 172.2 | -170 | 177 | -175.2 | -114.3 | -5.7 | 112.4 | T733 N737 L738 D739 D746 I749 L769 | T733-R735 PolarHBondContact O-N 3.35Å; R735-N737 PolarHBondContact O-N 2.86Å; R735-L738 PolarHBondContact O-N 3.44Å; R735-L738 VanDerWaalsContact O-N 3.15Å; R735-D739 PolarHBondContact O-N 3.15Å; R735-D746 IonicContact CZ-OD1 2.77Å; R735-D746 IonicContact NE-OD1 3.25Å; R735-D746 PolarHBondContact NE-OD1 3.36Å; R735-D746 IonicContact NH2-OD1 3.39Å; R735-D746 PolarHBondContact NH2-OD1 2.78Å; R735-I749 HydrophobicContact CG-CD1 4.12Å; R735-L769 HydrophobicContact CB-CB 4.23Å; R735-L769 PolarHBondContact N-O 2.98Å |
| 736 | Q | 91.2 | Very high | 89.7 | Confident | 113 Ų | 113 | 46.2 Ų | 46.2 | 53% | 0.528 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.4 | -28.4 | 177.9 | -76.2 | 167 | -30.8 | 0 | 0 | 112.8 | T733 D739 P740 | T733-Q736 PolarHBondContact O-N 3.37Å; T733-Q736 WeakPolarHBondContact OG1-CB 3.44Å; T733-Q736 VanDerWaalsContact OG1-CG 3.23Å; T733-Q736 WeakPolarHBondContact OG1-CG 3.23Å; T733-Q736 PolarHBondContact OG1-N 3.31Å; T733-Q736 PolarHBondContact OG1-OE1 3.49Å; T733-Q736 VanDerWaalsContact OG1-OE1 3.09Å; Q736-D739 CarbonylContact O-C 3.58Å; Q736-P740 WeakPolarHBondContact O-CA 3.21Å; Q736-P740 VanDerWaalsContact O-CG 3.3Å; Q736-P740 WeakPolarHBondContact O-CG 3.24Å |
| 737 | N | 92.7 | Very high | 90.6 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -77 | -29.9 | 176.5 | -89.3 | -82.9 | 0 | 0 | 0 | 113.5 | W31 F730 T733 L734 R735 T773 R792 | W31-N737 WeakPolarHBondContact CH2-O 3.45Å; F730-N737 PolarHBondContact N-OD1 2.81Å; F730-N737 PolarHBondContact O-ND2 3.41Å; F730-N737 PolarHBondContact O-OD1 3.42Å; T733-N737 PolarHBondContact O-N 3.15Å; T733-N737 VanDerWaalsContact O-N 3.09Å; T733-N737 PolarHBondContact O-ND2 2.9Å; L734-N737 WeakPolarHBondContact O-CB 3.38Å; L734-N737 PolarHBondContact O-N 2.96Å; L734-N737 VanDerWaalsContact O-N 3.14Å; R735-N737 PolarHBondContact O-N 2.86Å; N737-T773 PolarHBondContact ND2-OG1 3.42Å; N737-T773 VanDerWaalsContact ND2-OG1 3.07Å; N737-R792 VanDerWaalsContact O-CZ 3.26Å; N737-R792 PolarHBondContact O-NE 2.89Å; N737-R792 PolarHBondContact O-NH2 3.35Å; N737-R792 PolarHBondContact OD1-NH2 2.98Å |
| 738 | L | 93.6 | Very high | 91 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -81.5 | -40 | 176.9 | -73.2 | 166.1 | 0 | 0 | 0 | 111.2 | L734 R735 I749 L753 L769 I788 A791 R792 L795 | L734-L738 HydrophobicContact CG-CD1 4.08Å; L734-L738 WeakPolarHBondContact O-CG 3.39Å; L734-L738 PolarHBondContact O-N 3.44Å; R735-L738 PolarHBondContact O-N 3.44Å; R735-L738 VanDerWaalsContact O-N 3.15Å; L738-I749 HydrophobicContact CB-CG2 4.39Å; L738-I749 HydrophobicContact CD1-CG2 3.54Å; L738-L753 HydrophobicContact CD1-CD1 4.07Å; L738-L753 HydrophobicContact CD1-CD2 4.09Å; L738-L753 HydrophobicContact CD1-CG 4.23Å; L738-L769 HydrophobicContact CD1-CD2 4.42Å; L738-I788 HydrophobicContact CD2-CG2 3.86Å; L738-A791 HydrophobicContact CD2-CB 3.87Å; L738-R792 HydrophobicContact CD2-CG 4.26Å; L738-L795 HydrophobicContact CB-CD1 4.21Å |
| 739 | D | 93.6 | Very high | 91.5 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | trans | -140.9 | 91.3 | -179.6 | 175.8 | 16.1 | 0 | 0 | 0 | 111.1 | R735 Q736 F741 G742 E743 H744 I749 | R735-D739 PolarHBondContact O-N 3.15Å; Q736-D739 CarbonylContact O-C 3.58Å; D739-F741 VanDerWaalsContact C-N 3.28Å; D739-F741 PolarHBondContact O-N 2.86Å; D739-F741 PolarHBondContact OD1-N 3.07Å; D739-G742 VanDerWaalsContact CG-N 3.34Å; D739-G742 PolarHBondContact OD1-N 3.11Å; D739-G742 WeakPolarHBondContact OD2-CA 3.34Å; D739-G742 PolarHBondContact OD2-N 3.03Å; D739-E743 PolarHBondContact OD1-N 2.71Å; D739-E743 PolarHBondContact OD2-N 3.18Å; D739-H744 IonicContact OD2-CD2 3.87Å; D739-H744 PolarHBondContact OD2-N 3.34Å; D739-I749 HydrophobicContact CB-CD1 4.36Å | ||
| 740 | P | 89.4 | Confident | 91.8 | Very high | 34 Ų | 34 | 49.7 Ų | 49.7 | 22% | 0.221 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -70.8 | -19.6 | 178.7 | -20.2 | 32.2 | 0 | 0 | 0 | 114.6 | W31 P34 Q736 | W31-P740 HydrophobicContact CD2-CG 3.68Å; W31-P740 VanDerWaalsContact CE2-CG 3.46Å; W31-P740 HydrophobicContact CE3-CG 3.99Å; W31-P740 HydrophobicContact CG-CG 4.26Å; W31-P740 HydrophobicContact CH2-CG 3.82Å; W31-P740 VanDerWaalsContact CZ2-CD 3.49Å; W31-P740 HydrophobicContact CZ2-CG 3.55Å; W31-P740 HydrophobicContact CZ3-CG 4.05Å; P34-P740 HydrophobicContact CB-CB 4.1Å; P34-P740 HydrophobicContact CG-CB 4.24Å; Q736-P740 WeakPolarHBondContact O-CA 3.21Å; Q736-P740 VanDerWaalsContact O-CG 3.3Å; Q736-P740 WeakPolarHBondContact O-CG 3.24Å |
| 741 | F | 87.8 | Confident | 92.1 | Very high | 70 Ų | 70 | 53.6 Ų | 53.6 | 31% | 0.307 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -92.2 | -17 | -178.1 | -70.1 | -78.1 | 0 | 0 | 0 | 112.7 | A30 W31 P34 D739 E743 | A30-F741 WeakPolarHBondContact O-CZ 3.49Å; W31-F741 AromaticContact CD1-CE2 3.6Å; P34-F741 VanDerWaalsContact CD-CZ 3.5Å; P34-F741 HydrophobicContact CG-CD1 3.6Å; P34-F741 HydrophobicContact CG-CD2 4.31Å; P34-F741 HydrophobicContact CG-CE1 3.26Å; P34-F741 HydrophobicContact CG-CE2 4.03Å; P34-F741 HydrophobicContact CG-CG 4.11Å; P34-F741 HydrophobicContact CG-CZ 3.49Å; P34-F741 VanDerWaalsContact CG-CZ 3.49Å; D739-F741 VanDerWaalsContact C-N 3.28Å; D739-F741 PolarHBondContact O-N 2.86Å; D739-F741 PolarHBondContact OD1-N 3.07Å; F741-E743 VanDerWaalsContact C-N 3.31Å; F741-E743 HydrophobicContact CB-CG 3.7Å |
| 742 | G | 89 | Confident | 92.5 | Very high | 51 Ų | 51 | 50.7 Ų | 50.7 | 53% | 0.526 | 28% | 0.278 | S | S | . | . | trans | 69.3 | 31.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D739 | D739-G742 VanDerWaalsContact CG-N 3.34Å; D739-G742 PolarHBondContact OD1-N 3.11Å; D739-G742 WeakPolarHBondContact OD2-CA 3.34Å; D739-G742 PolarHBondContact OD2-N 3.03Å | ||
| 743 | E | 88.6 | Confident | 92.9 | Very high | 126 Ų | 126 | 49.7 Ų | 49.7 | 59% | 0.589 | 27% | 0.269 | S | S | * | . | trans | -76.8 | -22.3 | 178.8 | -71.6 | 174.5 | 177.8 | 0 | 0 | 112.3 | D739 F741 | D739-E743 PolarHBondContact OD1-N 2.71Å; D739-E743 PolarHBondContact OD2-N 3.18Å; F741-E743 VanDerWaalsContact C-N 3.31Å; F741-E743 HydrophobicContact CB-CG 3.7Å | ||
| 744 | H | 93 | Very high | 93 | Very high | 38 Ų | 38 | 52.6 Ų | 52.6 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -110 | 145.7 | -174 | -63.8 | -66.7 | 0 | 0 | 0 | 113.2 | D739 E748 I749 L795 | D739-H744 IonicContact OD2-CD2 3.87Å; D739-H744 PolarHBondContact OD2-N 3.34Å; H744-E748 WeakPolarHBondContact CA-OE2 3.38Å; H744-E748 HydrophobicContact CB-CB 4.44Å; H744-E748 IonicContact CG-OE2 3.22Å; H744-E748 IonicContact ND1-OE2 2.74Å; H744-E748 PolarHBondContact ND1-OE2 2.91Å; H744-I749 HydrophobicContact CB-CG1 4.19Å; H744-L795 PolarHBondContact CE1-O 3.4Å; H744-L795 PolarHBondContact NE2-O 3.46Å |
| 745 | S | 95.3 | Very high | 92.9 | Very high | 60 Ų | 60 | 55.4 Ų | 55.4 | 42% | 0.42 | 29% | 0.292 | S | S | . | . | trans | -77.2 | 153.8 | 172.5 | 71.4 | 0 | 0 | 0 | 0 | 111.3 | A747 E748 I749 | S745-A747 PolarHBondContact O-N 2.89Å; S745-A747 VanDerWaalsContact O-N 3.12Å; S745-E748 PolarHBondContact N-OE2 3.04Å; S745-E748 WeakPolarHBondContact O-CB 3.18Å; S745-E748 PolarHBondContact O-N 3.4Å; S745-E748 WeakPolarHBondContact OG-CG 3.24Å; S745-E748 PolarHBondContact OG-N 3.38Å; S745-I749 PolarHBondContact O-N 2.94Å; S745-I749 VanDerWaalsContact O-N 3.1Å | ||
| 746 | D | 94.3 | Very high | 92.8 | Very high | 70 Ų | 70 | 50.2 Ų | 50.2 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.7 | -29.6 | 178.7 | -71.1 | 6.7 | 0 | 0 | 0 | 112.1 | R735 I749 W750 L769 | R735-D746 IonicContact CZ-OD1 2.77Å; R735-D746 IonicContact NE-OD1 3.25Å; R735-D746 PolarHBondContact NE-OD1 3.36Å; R735-D746 IonicContact NH2-OD1 3.39Å; R735-D746 PolarHBondContact NH2-OD1 2.78Å; D746-I749 PolarHBondContact O-N 3.41Å; D746-W750 PolarHBondContact O-N 3.25Å; D746-L769 HydrophobicContact CB-CD1 4.16Å |
| 747 | A | 94.7 | Very high | 92.7 | Very high | 73 Ų | 73 | 51.8 Ų | 51.8 | 60% | 0.603 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65.3 | -40.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S745 W750 N751 | S745-A747 PolarHBondContact O-N 2.89Å; S745-A747 VanDerWaalsContact O-N 3.12Å; A747-W750 PolarHBondContact O-N 2.97Å; A747-N751 WeakPolarHBondContact O-CB 3.36Å; A747-N751 PolarHBondContact O-N 3.25Å |
| 748 | E | 95 | Very high | 92.6 | Very high | 79 Ų | 79 | 52 Ų | 52 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 175.2 | -68.3 | 173.7 | 144.5 | 0 | 0 | 111.4 | H744 S745 N751 A752 L795 | H744-E748 WeakPolarHBondContact CA-OE2 3.38Å; H744-E748 HydrophobicContact CB-CB 4.44Å; H744-E748 IonicContact CG-OE2 3.22Å; H744-E748 IonicContact ND1-OE2 2.74Å; H744-E748 PolarHBondContact ND1-OE2 2.91Å; S745-E748 PolarHBondContact N-OE2 3.04Å; S745-E748 WeakPolarHBondContact O-CB 3.18Å; S745-E748 PolarHBondContact O-N 3.4Å; S745-E748 WeakPolarHBondContact OG-CG 3.24Å; S745-E748 PolarHBondContact OG-N 3.38Å; E748-N751 PolarHBondContact O-N 3.05Å; E748-A752 PolarHBondContact O-N 3.44Å; E748-L795 HydrophobicContact CB-CD2 4.48Å |
| 749 | I | 95.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 176.3 | -61.9 | 175.6 | 0 | 0 | 0 | 110.7 | R735 L738 D739 H744 S745 D746 N751 A752 L753 L769 L795 | R735-I749 HydrophobicContact CG-CD1 4.12Å; L738-I749 HydrophobicContact CB-CG2 4.39Å; L738-I749 HydrophobicContact CD1-CG2 3.54Å; D739-I749 HydrophobicContact CB-CD1 4.36Å; H744-I749 HydrophobicContact CB-CG1 4.19Å; S745-I749 PolarHBondContact O-N 2.94Å; S745-I749 VanDerWaalsContact O-N 3.1Å; D746-I749 PolarHBondContact O-N 3.41Å; I749-N751 VanDerWaalsContact C-N 3.32Å; I749-N751 PolarHBondContact O-N 3.14Å; I749-A752 PolarHBondContact O-N 3.33Å; I749-L753 HydrophobicContact CG2-CD1 4.22Å; I749-L753 WeakPolarHBondContact O-CG 3.47Å; I749-L753 PolarHBondContact O-N 3.06Å; I749-L769 HydrophobicContact CB-CD1 4.38Å; I749-L769 HydrophobicContact CG2-CD1 4.09Å; I749-L769 HydrophobicContact CG2-CD2 3.72Å; I749-L795 HydrophobicContact CG1-CD1 4.4Å; I749-L795 HydrophobicContact CG1-CD2 4.42Å |
| 750 | W | 96 | Very high | 92.2 | Very high | 69 Ų | 69 | 62.7 Ų | 62.7 | 26% | 0.261 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 176.5 | -81.6 | 117.1 | 0 | 0 | 0 | 112.8 | D746 A747 L753 E754 K759 V762 A763 L769 | D746-W750 PolarHBondContact O-N 3.25Å; A747-W750 PolarHBondContact O-N 2.97Å; W750-L753 HydrophobicContact CE3-CD1 4.08Å; W750-L753 HydrophobicContact CZ3-CD1 4.3Å; W750-L753 PolarHBondContact O-N 3.34Å; W750-E754 WeakPolarHBondContact O-CB 3.31Å; W750-E754 PolarHBondContact O-N 2.82Å; W750-K759 HydrophobicContact CE3-CG 3.95Å; W750-K759 HydrophobicContact CZ3-CG 4.05Å; W750-V762 HydrophobicContact CH2-CB 4.2Å; W750-V762 HydrophobicContact CH2-CG1 3.72Å; W750-V762 HydrophobicContact CZ3-CB 4.08Å; W750-V762 HydrophobicContact CZ3-CG1 3.98Å; W750-A763 HydrophobicContact CH2-CB 4.19Å; W750-A763 HydrophobicContact CZ3-CB 4.42Å; W750-L769 HydrophobicContact CD2-CG 4.49Å; W750-L769 HydrophobicContact CZ2-CD1 4.48Å; W750-L769 HydrophobicContact CZ2-CD2 4.34Å; W750-L769 HydrophobicContact CZ2-CG 3.83Å |
| 751 | N | 94.7 | Very high | 92.1 | Very high | 88 Ų | 88 | 63.3 Ų | 63.3 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 174.6 | -171.6 | 34.5 | 0 | 0 | 0 | 111.3 | A747 E748 I749 L753 E754 Q755 | A747-N751 WeakPolarHBondContact O-CB 3.36Å; A747-N751 PolarHBondContact O-N 3.25Å; E748-N751 PolarHBondContact O-N 3.05Å; I749-N751 VanDerWaalsContact C-N 3.32Å; I749-N751 PolarHBondContact O-N 3.14Å; N751-L753 VanDerWaalsContact C-N 3.32Å; N751-L753 PolarHBondContact O-N 2.89Å; N751-E754 WeakPolarHBondContact O-CB 3.42Å; N751-E754 PolarHBondContact O-N 2.92Å; N751-E754 VanDerWaalsContact O-N 3.16Å; N751-Q755 WeakPolarHBondContact O-CG 3.3Å; N751-Q755 PolarHBondContact O-N 3.08Å |
| 752 | A | 94 | Very high | 92.2 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.033 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E748 I749 E754 Q755 V756 L794 L795 | E748-A752 PolarHBondContact O-N 3.44Å; I749-A752 PolarHBondContact O-N 3.33Å; A752-E754 VanDerWaalsContact C-N 3.31Å; A752-E754 PolarHBondContact O-N 3.43Å; A752-Q755 PolarHBondContact O-N 2.88Å; A752-V756 PolarHBondContact O-N 3.26Å; A752-L794 HydrophobicContact CB-CB 4.46Å; A752-L795 HydrophobicContact CB-CD2 3.72Å; A752-L795 HydrophobicContact CB-CG 3.82Å |
| 753 | L | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.8 | -29.2 | 175.1 | -72.4 | 174 | 0 | 0 | 0 | 113.3 | L738 I749 W750 N751 V756 R757 L758 K759 V762 L769 A791 | L738-L753 HydrophobicContact CD1-CD1 4.07Å; L738-L753 HydrophobicContact CD1-CD2 4.09Å; L738-L753 HydrophobicContact CD1-CG 4.23Å; I749-L753 HydrophobicContact CG2-CD1 4.22Å; I749-L753 WeakPolarHBondContact O-CG 3.47Å; I749-L753 PolarHBondContact O-N 3.06Å; W750-L753 HydrophobicContact CE3-CD1 4.08Å; W750-L753 HydrophobicContact CZ3-CD1 4.3Å; W750-L753 PolarHBondContact O-N 3.34Å; N751-L753 VanDerWaalsContact C-N 3.32Å; N751-L753 PolarHBondContact O-N 2.89Å; L753-V756 WeakPolarHBondContact O-CG2 3.46Å; L753-R757 PolarHBondContact O-N 3.42Å; L753-L758 HydrophobicContact CD2-CB 4.14Å; L753-L758 HydrophobicContact CD2-CD1 4.45Å; L753-L758 PolarHBondContact O-N 2.88Å; L753-K759 PolarHBondContact O-N 3.46Å; L753-K759 VanDerWaalsContact O-N 3.14Å; L753-V762 HydrophobicContact CD1-CB 4.39Å; L753-V762 HydrophobicContact CD1-CG1 4.18Å; L753-V762 HydrophobicContact CD1-CG2 4.22Å; L753-V762 HydrophobicContact CD2-CG2 4.37Å; L753-L769 HydrophobicContact CD1-CD2 3.59Å; L753-A791 HydrophobicContact CD2-CB 4.26Å |
| 754 | E | 94.2 | Very high | 92.3 | Very high | 97 Ų | 97 | 59.2 Ų | 59.2 | 45% | 0.453 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.2 | -46 | 174.2 | -169.3 | 154.7 | -148.6 | 0 | 0 | 111.4 | W750 N751 A752 V756 R757 K759 | W750-E754 WeakPolarHBondContact O-CB 3.31Å; W750-E754 PolarHBondContact O-N 2.82Å; N751-E754 WeakPolarHBondContact O-CB 3.42Å; N751-E754 PolarHBondContact O-N 2.92Å; N751-E754 VanDerWaalsContact O-N 3.16Å; A752-E754 VanDerWaalsContact C-N 3.31Å; A752-E754 PolarHBondContact O-N 3.43Å; E754-V756 VanDerWaalsContact C-N 3.26Å; E754-V756 PolarHBondContact O-N 3.34Å; E754-R757 PolarHBondContact O-N 3.47Å; E754-K759 HydrophobicContact CB-CB 4.42Å; E754-K759 HydrophobicContact CB-CD 3.88Å; E754-K759 HydrophobicContact CG-CD 3.9Å; E754-K759 IonicContact OE1-NZ 2.96Å; E754-K759 PolarHBondContact OE1-NZ 3.01Å; E754-K759 IonicContact OE2-NZ 2.91Å; E754-K759 PolarHBondContact OE2-NZ 3.05Å |
| 755 | Q | 90.8 | Very high | 92 | Very high | 59 Ų | 59 | 59.9 Ų | 59.9 | 28% | 0.276 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.1 | -36.5 | 178 | -70.5 | 177.9 | -32.5 | 0 | 0 | 112.5 | N751 A752 R757 L794 E825 | N751-Q755 WeakPolarHBondContact O-CG 3.3Å; N751-Q755 PolarHBondContact O-N 3.08Å; A752-Q755 PolarHBondContact O-N 2.88Å; Q755-R757 VanDerWaalsContact C-N 3.31Å; Q755-L794 HydrophobicContact CB-CD1 3.91Å; Q755-E825 HydrophobicContact CB-CG 4.45Å; Q755-E825 PolarHBondContact NE2-OE2 3.1Å |
| 756 | V | 91.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 9.1 | 175.8 | -54.1 | 0 | 0 | 0 | 0 | 114 | A752 L753 E754 L758 L787 L790 A791 L794 T821 | A752-V756 PolarHBondContact O-N 3.26Å; L753-V756 WeakPolarHBondContact O-CG2 3.46Å; E754-V756 VanDerWaalsContact C-N 3.26Å; E754-V756 PolarHBondContact O-N 3.34Å; V756-L758 HydrophobicContact CG2-CB 3.94Å; V756-L758 HydrophobicContact CG2-CD1 4.09Å; V756-L758 HydrophobicContact CG2-CG 4.02Å; V756-L758 PolarHBondContact O-N 3.14Å; V756-L787 HydrophobicContact CB-CD2 4.35Å; V756-L790 HydrophobicContact CB-CD2 4.49Å; V756-L790 HydrophobicContact CG1-CB 4.03Å; V756-L790 HydrophobicContact CG1-CD2 3.84Å; V756-L790 HydrophobicContact CG1-CG 3.77Å; V756-A791 HydrophobicContact CG1-CB 4.27Å; V756-A791 HydrophobicContact CG2-CB 4.13Å; V756-L794 HydrophobicContact CG1-CD1 3.55Å; V756-T821 HydrophobicContact CG1-CG2 4.35Å |
| 757 | R | 89.8 | Confident | 90.7 | Very high | 146 Ų | 146 | 64.6 Ų | 64.6 | 55% | 0.551 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 29.9 | -177.4 | -53.9 | -167.6 | -173.1 | 150 | 5.1 | 115.1 | L753 E754 Q755 L817 E820 | L753-R757 PolarHBondContact O-N 3.42Å; E754-R757 PolarHBondContact O-N 3.47Å; Q755-R757 VanDerWaalsContact C-N 3.31Å; R757-L817 HydrophobicContact CB-CD1 4.31Å; R757-L817 HydrophobicContact CB-CD2 4.22Å; R757-L817 VanDerWaalsContact CD-CD1 3.45Å; R757-L817 HydrophobicContact CG-CD1 3.86Å; R757-E820 IonicContact CZ-OE2 2.75Å; R757-E820 IonicContact NH1-OE2 3.98Å; R757-E820 PolarHBondContact NH1-OE2 3.16Å; R757-E820 IonicContact NH2-OE1 3.36Å; R757-E820 PolarHBondContact NH2-OE1 3.4Å; R757-E820 IonicContact NH2-OE2 3.97Å; R757-E820 PolarHBondContact NH2-OE2 3.21Å |
| 758 | L | 89.9 | Confident | 90.5 | Very high | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | trans | -98.1 | -6.3 | 173.9 | -79.2 | -177.8 | 0 | 0 | 0 | 114.2 | L753 V756 E760 T761 V762 Q784 L787 I788 | L753-L758 HydrophobicContact CD2-CB 4.14Å; L753-L758 HydrophobicContact CD2-CD1 4.45Å; L753-L758 PolarHBondContact O-N 2.88Å; V756-L758 HydrophobicContact CG2-CB 3.94Å; V756-L758 HydrophobicContact CG2-CD1 4.09Å; V756-L758 HydrophobicContact CG2-CG 4.02Å; V756-L758 PolarHBondContact O-N 3.14Å; L758-E760 PolarHBondContact O-N 3.31Å; L758-T761 PolarHBondContact O-N 3.17Å; L758-V762 HydrophobicContact CB-CG2 4.44Å; L758-V762 WeakPolarHBondContact O-CG2 3.47Å; L758-V762 PolarHBondContact O-N 3.1Å; L758-Q784 HydrophobicContact CD2-CG 4.23Å; L758-L787 HydrophobicContact CD1-CB 3.44Å; L758-L787 VanDerWaalsContact CD1-CB 3.44Å; L758-L787 HydrophobicContact CD2-CB 4.3Å; L758-L787 HydrophobicContact CD2-CD1 3.88Å; L758-L787 HydrophobicContact CG-CB 3.77Å; L758-L787 HydrophobicContact CG-CD1 4Å; L758-I788 HydrophobicContact CD1-CG1 3.68Å | ||
| 759 | K | 90 | Very high | 90.3 | Very high | 76 Ų | 76 | 58.5 Ų | 58.5 | 33% | 0.33 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -52.6 | -48 | -176.1 | -178.9 | 171.4 | 179.8 | 179.8 | 0 | 113.3 | W750 L753 E754 V762 A763 | W750-K759 HydrophobicContact CE3-CG 3.95Å; W750-K759 HydrophobicContact CZ3-CG 4.05Å; L753-K759 PolarHBondContact O-N 3.46Å; L753-K759 VanDerWaalsContact O-N 3.14Å; E754-K759 HydrophobicContact CB-CB 4.42Å; E754-K759 HydrophobicContact CB-CD 3.88Å; E754-K759 HydrophobicContact CG-CD 3.9Å; E754-K759 IonicContact OE1-NZ 2.96Å; E754-K759 PolarHBondContact OE1-NZ 3.01Å; E754-K759 IonicContact OE2-NZ 2.91Å; E754-K759 PolarHBondContact OE2-NZ 3.05Å; K759-V762 PolarHBondContact O-N 3.44Å; K759-A763 WeakPolarHBondContact O-CB 3.43Å; K759-A763 PolarHBondContact O-N 3.49Å |
| 760 | E | 89.1 | Confident | 90 | Very high | 169 Ų | 169 | 60.1 Ų | 60.1 | 79% | 0.79 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.5 | -44.3 | -179.3 | -63.7 | -178.4 | 179 | 0 | 0 | 112 | L758 V762 A763 S764 | L758-E760 PolarHBondContact O-N 3.31Å; E760-V762 PolarHBondContact O-N 3.1Å; E760-A763 PolarHBondContact O-N 2.99Å; E760-S764 WeakPolarHBondContact O-CB 3.41Å; E760-S764 PolarHBondContact O-N 2.87Å |
| 761 | T | 87.2 | Confident | 89.7 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 29% | 0.288 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 176.7 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | L758 S764 | L758-T761 PolarHBondContact O-N 3.17Å; T761-S764 PolarHBondContact O-N 3.46Å; T761-S764 PolarHBondContact O-OG 2.9Å |
| 762 | V | 89.6 | Confident | 89.3 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 180 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | L734 W750 L753 L758 K759 E760 S764 L765 G768 L769 | L734-V762 HydrophobicContact CD2-CB 4.3Å; L734-V762 HydrophobicContact CD2-CG1 3.58Å; L734-V762 HydrophobicContact CD2-CG2 3.67Å; W750-V762 HydrophobicContact CH2-CB 4.2Å; W750-V762 HydrophobicContact CH2-CG1 3.72Å; W750-V762 HydrophobicContact CZ3-CB 4.08Å; W750-V762 HydrophobicContact CZ3-CG1 3.98Å; L753-V762 HydrophobicContact CD1-CB 4.39Å; L753-V762 HydrophobicContact CD1-CG1 4.18Å; L753-V762 HydrophobicContact CD1-CG2 4.22Å; L753-V762 HydrophobicContact CD2-CG2 4.37Å; L758-V762 HydrophobicContact CB-CG2 4.44Å; L758-V762 WeakPolarHBondContact O-CG2 3.47Å; L758-V762 PolarHBondContact O-N 3.1Å; K759-V762 PolarHBondContact O-N 3.44Å; E760-V762 PolarHBondContact O-N 3.1Å; V762-S764 PolarHBondContact O-N 3.21Å; V762-L765 WeakPolarHBondContact O-CB 3.35Å; V762-L765 PolarHBondContact O-N 3.38Å; V762-L765 VanDerWaalsContact O-N 3.14Å; V762-G768 WeakPolarHBondContact O-CA 3.32Å; V762-L769 HydrophobicContact CG1-CD2 4.29Å |
| 763 | A | 90 | Very high | 89 | Confident | 63 Ų | 63 | 57 Ų | 57 | 52% | 0.521 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.6 | -28.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | W750 K759 E760 L765 | W750-A763 HydrophobicContact CH2-CB 4.19Å; W750-A763 HydrophobicContact CZ3-CB 4.42Å; K759-A763 WeakPolarHBondContact O-CB 3.43Å; K759-A763 PolarHBondContact O-N 3.49Å; E760-A763 PolarHBondContact O-N 2.99Å; A763-L765 VanDerWaalsContact C-N 3.28Å; A763-L765 PolarHBondContact O-N 3.09Å |
| 764 | S | 88.5 | Confident | 88.4 | Confident | 95 Ų | 95 | 62.2 Ų | 62.2 | 66% | 0.664 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -15 | 175.5 | 80.3 | 0 | 0 | 0 | 0 | 114 | E760 T761 V762 | E760-S764 WeakPolarHBondContact O-CB 3.41Å; E760-S764 PolarHBondContact O-N 2.87Å; T761-S764 PolarHBondContact O-N 3.46Å; T761-S764 PolarHBondContact O-OG 2.9Å; V762-S764 PolarHBondContact O-N 3.21Å |
| 765 | L | 87.1 | Confident | 87.4 | Confident | 53 Ų | 53 | 62.6 Ų | 62.6 | 28% | 0.277 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -72.8 | 144.3 | 175.4 | -59.7 | 174.9 | 0 | 0 | 0 | 110 | V762 A763 N767 G768 A771 F780 | V762-L765 WeakPolarHBondContact O-CB 3.35Å; V762-L765 PolarHBondContact O-N 3.38Å; V762-L765 VanDerWaalsContact O-N 3.14Å; A763-L765 VanDerWaalsContact C-N 3.28Å; A763-L765 PolarHBondContact O-N 3.09Å; L765-N767 PolarHBondContact O-N 3.41Å; L765-G768 PolarHBondContact O-N 2.98Å; L765-G768 VanDerWaalsContact O-N 3.08Å; L765-A771 HydrophobicContact CB-CB 3.96Å; L765-A771 HydrophobicContact CD1-CB 3.79Å; L765-A771 HydrophobicContact CG-CB 4.49Å; L765-F780 HydrophobicContact CD1-CE1 4.06Å; L765-F780 HydrophobicContact CD1-CZ 3.96Å |
| 766 | S | 78.9 | Confident | 86.6 | Confident | 119 Ų | 119 | 61.2 Ų | 61.2 | 83% | 0.832 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -22.4 | -170.9 | 59.1 | 0 | 0 | 0 | 0 | 115.5 | ||
| 767 | N | 85 | Confident | 86 | Confident | 110 Ų | 110 | 61.2 Ų | 61.2 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.2 | 14.5 | 179.9 | -71.1 | -15 | 0 | 0 | 0 | 114 | L765 L769 G770 | L765-N767 PolarHBondContact O-N 3.41Å; N767-L769 PolarHBondContact O-N 3.49Å; N767-G770 WeakPolarHBondContact O-CA 3.43Å; N767-G770 PolarHBondContact O-N 3.42Å |
| 768 | G | 89.6 | Confident | 85.4 | Confident | 12 Ų | 12 | 62 Ų | 62 | 12% | 0.124 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | 53.8 | -124.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V762 L765 G770 A771 | V762-G768 WeakPolarHBondContact O-CA 3.32Å; L765-G768 PolarHBondContact O-N 2.98Å; L765-G768 VanDerWaalsContact O-N 3.08Å; G768-G770 PolarHBondContact O-N 2.86Å; G768-A771 WeakPolarHBondContact O-CB 3.41Å; G768-A771 PolarHBondContact O-N 3.48Å |
| 769 | L | 90.6 | Very high | 85 | Confident | 12 Ų | 12 | 64.6 Ų | 64.6 | 6% | 0.063 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -62.2 | -23.4 | 176 | -64.2 | -179.6 | 0 | 0 | 0 | 114.1 | L734 R735 L738 D746 I749 W750 L753 V762 N767 A771 | L734-L769 PolarHBondContact N-O 3.24Å; R735-L769 HydrophobicContact CB-CB 4.23Å; R735-L769 PolarHBondContact N-O 2.98Å; L738-L769 HydrophobicContact CD1-CD2 4.42Å; D746-L769 HydrophobicContact CB-CD1 4.16Å; I749-L769 HydrophobicContact CB-CD1 4.38Å; I749-L769 HydrophobicContact CG2-CD1 4.09Å; I749-L769 HydrophobicContact CG2-CD2 3.72Å; W750-L769 HydrophobicContact CD2-CG 4.49Å; W750-L769 HydrophobicContact CZ2-CD1 4.48Å; W750-L769 HydrophobicContact CZ2-CD2 4.34Å; W750-L769 HydrophobicContact CZ2-CG 3.83Å; L753-L769 HydrophobicContact CD1-CD2 3.59Å; V762-L769 HydrophobicContact CG1-CD2 4.29Å; N767-L769 PolarHBondContact O-N 3.49Å; L769-A771 VanDerWaalsContact C-N 3.25Å; L769-A771 PolarHBondContact O-N 3.44Å |
| 770 | G | 90.2 | Very high | 84.7 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -82.5 | 2.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N767 G768 | N767-G770 WeakPolarHBondContact O-CA 3.43Å; N767-G770 PolarHBondContact O-N 3.42Å; G768-G770 PolarHBondContact O-N 2.86Å |
| 771 | A | 88.9 | Confident | 84.3 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 7% | 0.066 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 136.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | T733 L734 L765 G768 L769 | T733-A771 CarbonylContact C-O 3.38Å; T733-A771 WeakPolarHBondContact CA-O 3.24Å; L734-A771 PolarHBondContact N-O 3.49Å; L765-A771 HydrophobicContact CB-CB 3.96Å; L765-A771 HydrophobicContact CD1-CB 3.79Å; L765-A771 HydrophobicContact CG-CB 4.49Å; G768-A771 WeakPolarHBondContact O-CB 3.41Å; G768-A771 PolarHBondContact O-N 3.48Å; L769-A771 VanDerWaalsContact C-N 3.25Å; L769-A771 PolarHBondContact O-N 3.44Å |
| 772 | C | 87 | Confident | 83.9 | Confident | 85 Ų | 85 | 57 Ų | 57 | 57% | 0.574 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 131.7 | 179.2 | -64.9 | 0 | 0 | 0 | 0 | 110.9 | G732 N779 | G732-C772 CarbonylContact O-C 3.57Å; G732-C772 VanDerWaalsContact O-CA 3.3Å; G732-C772 WeakPolarHBondContact O-CA 3.16Å; C772-N779 PolarHBondContact O-ND2 3.47Å |
| 773 | T | 86.4 | Confident | 83.5 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 131 | 167.4 | 47.8 | 0 | 0 | 0 | 0 | 108.9 | L729 F730 G732 L734 N737 F780 | L729-T773 HydrophobicContact CD1-CG2 4.49Å; F730-T773 WeakPolarHBondContact O-CB 3.11Å; F730-T773 PolarHBondContact O-OG1 2.91Å; G732-T773 PolarHBondContact N-OG1 3.05Å; G732-T773 VanDerWaalsContact N-OG1 3.1Å; G732-T773 PolarHBondContact O-N 3.35Å; G732-T773 PolarHBondContact O-OG1 3.36Å; L734-T773 HydrophobicContact CD1-CG2 4.44Å; N737-T773 PolarHBondContact ND2-OG1 3.42Å; N737-T773 VanDerWaalsContact ND2-OG1 3.07Å; T773-F780 HydrophobicContact CG2-CE2 3.94Å |
| 774 | H | 82.8 | Confident | 83.4 | Confident | 109 Ų | 109 | 56.8 Ų | 56.8 | 51% | 0.505 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 169.1 | 172.6 | -66.2 | 164.8 | 0 | 0 | 0 | 110.9 | G776 G777 N779 | H774-G776 PolarHBondContact O-N 3.16Å; H774-G777 PolarHBondContact O-N 2.87Å; H774-N779 PolarHBondContact N-OD1 2.92Å |
| 775 | E | 72.6 | Confident | 83.4 | Confident | 106 Ų | 106 | 55.1 Ų | 55.1 | 50% | 0.495 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -49.8 | 124.5 | 179.7 | -64.1 | -173.5 | 163.3 | 0 | 0 | 110.9 | S14 L731 G777 Q778 | S14-E775 PolarHBondContact OG-OE1 3.03Å; L731-E775 HydrophobicContact CD1-CG 3.96Å; E775-G777 PolarHBondContact O-N 3.07Å; E775-G777 VanDerWaalsContact O-N 3.1Å; E775-Q778 WeakPolarHBondContact O-CG 3.13Å |
| 776 | G | 74 | Confident | 83.5 | Confident | 29 Ų | 29 | 52.9 Ų | 52.9 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | 66.8 | 4.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | E18 L729 H774 R785 | E18-G776 PolarHBondContact OE1-N 3.23Å; E18-G776 VanDerWaalsContact OE1-N 3.11Å; L729-G776 CarbonylContact O-C 3.58Å; L729-G776 VanDerWaalsContact O-CA 3.23Å; L729-G776 WeakPolarHBondContact O-CA 3.39Å; L729-G776 PolarHBondContact O-N 3.02Å; H774-G776 PolarHBondContact O-N 3.16Å; G776-R785 PolarHBondContact O-NH1 3.03Å |
| 777 | G | 78.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | 77.5 | 27.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | H774 E775 N779 F780 | H774-G777 PolarHBondContact O-N 2.87Å; E775-G777 PolarHBondContact O-N 3.07Å; E775-G777 VanDerWaalsContact O-N 3.1Å; G777-N779 PolarHBondContact O-N 2.94Å; G777-F780 PolarHBondContact O-N 3.34Å |
| 778 | Q | 77.2 | Confident | 84.5 | Confident | 164 Ų | 164 | 42.4 Ų | 42.4 | 77% | 0.766 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -18.7 | -178.5 | -71.9 | 178.4 | 5.6 | 0 | 0 | 114.9 | E775 F780 | E775-Q778 WeakPolarHBondContact O-CG 3.13Å; Q778-F780 PolarHBondContact O-N 3.29Å |
| 779 | N | 82.9 | Confident | 84.6 | Confident | 61 Ų | 61 | 41.9 Ų | 41.9 | 33% | 0.326 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -2.7 | 174.8 | 60.8 | -38.2 | 0 | 0 | 0 | 114.4 | C772 H774 G777 | C772-N779 PolarHBondContact O-ND2 3.47Å; H774-N779 PolarHBondContact N-OD1 2.92Å; G777-N779 PolarHBondContact O-N 2.94Å |
| 780 | F | 82.5 | Confident | 84.7 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -121.1 | 142.9 | 177 | -65.2 | -83.7 | 0 | 0 | 0 | 110.7 | L729 L734 L765 T773 G777 Q778 Q784 R785 I788 | L729-F780 HydrophobicContact CD1-CD2 3.74Å; L729-F780 HydrophobicContact CD1-CE2 4.29Å; L729-F780 HydrophobicContact CD1-CG 4.31Å; L734-F780 HydrophobicContact CD1-CZ 4.41Å; L765-F780 HydrophobicContact CD1-CE1 4.06Å; L765-F780 HydrophobicContact CD1-CZ 3.96Å; T773-F780 HydrophobicContact CG2-CE2 3.94Å; G777-F780 PolarHBondContact O-N 3.34Å; Q778-F780 PolarHBondContact O-N 3.29Å; F780-Q784 HydrophobicContact CB-CB 4.12Å; F780-Q784 HydrophobicContact CD1-CB 4.32Å; F780-R785 HydrophobicContact CB-CG 3.77Å; F780-I788 HydrophobicContact CD1-CD1 4.07Å; F780-I788 HydrophobicContact CD2-CD1 4.5Å; F780-I788 HydrophobicContact CE1-CD1 4.25Å; F780-I788 HydrophobicContact CG-CD1 4.19Å |
| 781 | S | 80.8 | Confident | 84.9 | Confident | 63 Ų | 63 | 39.7 Ų | 39.7 | 44% | 0.441 | 22% | 0.215 | S | C | . | . | trans | -63.4 | 159.3 | 173.2 | 77.2 | 0 | 0 | 0 | 0 | 111 | G783 Q784 R785 | S781-G783 VanDerWaalsContact C-N 3.26Å; S781-G783 PolarHBondContact O-N 3.35Å; S781-Q784 PolarHBondContact O-N 2.87Å; S781-Q784 VanDerWaalsContact O-N 3.14Å; S781-Q784 VanDerWaalsContact OG-CG 3.29Å; S781-Q784 WeakPolarHBondContact OG-CG 3.33Å; S781-Q784 PolarHBondContact OG-N 2.88Å; S781-Q784 VanDerWaalsContact OG-N 3.15Å; S781-R785 WeakPolarHBondContact O-CG 3.31Å; S781-R785 PolarHBondContact O-N 3.35Å | ||
| 782 | V | 79 | Confident | 85.2 | Confident | 54 Ų | 54 | 39.5 Ų | 39.5 | 33% | 0.327 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -53.7 | -45.7 | 175.9 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | Q784 R785 Q786 N809 | V782-Q784 PolarHBondContact O-N 3.24Å; V782-R785 VanDerWaalsContact CG2-NH2 3.28Å; V782-R785 PolarHBondContact O-N 3.02Å; V782-Q786 PolarHBondContact O-N 3.45Å; V782-N809 HydrophobicContact CG1-CB 4.03Å; V782-N809 WeakPolarHBondContact CG1-O 3.24Å |
| 783 | G | 80.6 | Confident | 85.5 | Confident | 7 Ų | 7 | 35.5 Ų | 35.5 | 7% | 0.072 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S781 Q786 L787 | S781-G783 VanDerWaalsContact C-N 3.26Å; S781-G783 PolarHBondContact O-N 3.35Å; G783-Q786 WeakPolarHBondContact O-CB 3.29Å; G783-Q786 PolarHBondContact O-N 3.06Å; G783-L787 WeakPolarHBondContact O-CG 3.36Å; G783-L787 PolarHBondContact O-N 2.92Å |
| 784 | Q | 87.9 | Confident | 85.8 | Confident | 55 Ų | 55 | 36.1 Ų | 36.1 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.8 | -41.1 | 175.4 | -73.5 | 168.5 | -13.3 | 0 | 0 | 112 | L758 F780 S781 V782 Q786 L787 I788 | L758-Q784 HydrophobicContact CD2-CG 4.23Å; F780-Q784 HydrophobicContact CB-CB 4.12Å; F780-Q784 HydrophobicContact CD1-CB 4.32Å; S781-Q784 PolarHBondContact O-N 2.87Å; S781-Q784 VanDerWaalsContact O-N 3.14Å; S781-Q784 VanDerWaalsContact OG-CG 3.29Å; S781-Q784 WeakPolarHBondContact OG-CG 3.33Å; S781-Q784 PolarHBondContact OG-N 2.88Å; S781-Q784 VanDerWaalsContact OG-N 3.15Å; V782-Q784 PolarHBondContact O-N 3.24Å; Q784-Q786 VanDerWaalsContact C-N 3.25Å; Q784-Q786 PolarHBondContact O-N 3.01Å; Q784-L787 PolarHBondContact O-N 2.86Å; Q784-I788 VanDerWaalsContact O-CG1 3.3Å; Q784-I788 WeakPolarHBondContact O-CG1 3.24Å; Q784-I788 PolarHBondContact O-N 2.78Å |
| 785 | R | 89.6 | Confident | 86.3 | Confident | 60 Ų | 60 | 31.5 Ų | 31.5 | 23% | 0.226 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.1 | -38.7 | 174.5 | -69.4 | -174.7 | -78.2 | 166.2 | -0.9 | 111.2 | P727 L729 G776 F780 S781 V782 I788 C789 | P727-R785 HydrophobicContact CB-CB 3.84Å; P727-R785 HydrophobicContact CG-CB 3.72Å; L729-R785 HydrophobicContact CD1-CG 3.96Å; L729-R785 HydrophobicContact CG-CG 4.27Å; G776-R785 PolarHBondContact O-NH1 3.03Å; F780-R785 HydrophobicContact CB-CG 3.77Å; S781-R785 WeakPolarHBondContact O-CG 3.31Å; S781-R785 PolarHBondContact O-N 3.35Å; V782-R785 VanDerWaalsContact CG2-NH2 3.28Å; V782-R785 PolarHBondContact O-N 3.02Å; R785-I788 PolarHBondContact O-N 2.88Å; R785-C789 PolarHBondContact O-N 2.81Å |
| 786 | Q | 89.1 | Confident | 87.1 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 2% | 0.023 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.8 | -44.7 | 176 | -155.9 | 65.6 | 6.2 | 0 | 0 | 112.7 | P724 P727 V782 G783 Q784 I788 C789 L790 A806 V810 I818 | P724-Q786 PolarHBondContact O-NE2 3.15Å; P727-Q786 VanDerWaalsContact CB-OE1 3.28Å; V782-Q786 PolarHBondContact O-N 3.45Å; G783-Q786 WeakPolarHBondContact O-CB 3.29Å; G783-Q786 PolarHBondContact O-N 3.06Å; Q784-Q786 VanDerWaalsContact C-N 3.25Å; Q784-Q786 PolarHBondContact O-N 3.01Å; Q786-I788 VanDerWaalsContact C-N 3.3Å; Q786-I788 PolarHBondContact O-N 3.5Å; Q786-C789 WeakPolarHBondContact O-CB 3.06Å; Q786-C789 PolarHBondContact O-N 3.4Å; Q786-C789 VanDerWaalsContact O-N 3.14Å; Q786-L790 PolarHBondContact O-N 3.44Å; Q786-A806 VanDerWaalsContact CG-O 3.29Å; Q786-A806 WeakPolarHBondContact CG-O 3.25Å; Q786-A806 VanDerWaalsContact NE2-CB 3.3Å; Q786-A806 PolarHBondContact NE2-O 3.4Å; Q786-V810 HydrophobicContact CB-CG2 4.34Å; Q786-V810 HydrophobicContact CG-CG2 4.34Å; Q786-I818 HydrophobicContact CB-CD1 4.13Å; Q786-I818 HydrophobicContact CG-CD1 3.75Å |
| 787 | L | 91.3 | Very high | 87.8 | Confident | 9 Ų | 9 | 35.3 Ų | 35.3 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -33.9 | 175.2 | -69.2 | 171.9 | 0 | 0 | 0 | 112.1 | V756 L758 G783 Q784 L790 A791 T814 L817 I818 | V756-L787 HydrophobicContact CB-CD2 4.35Å; L758-L787 HydrophobicContact CD1-CB 3.44Å; L758-L787 VanDerWaalsContact CD1-CB 3.44Å; L758-L787 HydrophobicContact CD2-CB 4.3Å; L758-L787 HydrophobicContact CD2-CD1 3.88Å; L758-L787 HydrophobicContact CG-CB 3.77Å; L758-L787 HydrophobicContact CG-CD1 4Å; G783-L787 WeakPolarHBondContact O-CG 3.36Å; G783-L787 PolarHBondContact O-N 2.92Å; Q784-L787 PolarHBondContact O-N 2.86Å; L787-L790 HydrophobicContact CD2-CD2 4.32Å; L787-L790 WeakPolarHBondContact O-CB 3.4Å; L787-L790 PolarHBondContact O-N 3.33Å; L787-A791 PolarHBondContact O-N 2.88Å; L787-T814 HydrophobicContact CD1-CG2 4.27Å; L787-T814 HydrophobicContact CG-CG2 4.42Å; L787-L817 HydrophobicContact CD1-CD2 4Å; L787-L817 HydrophobicContact CD2-CD2 4.07Å; L787-L817 HydrophobicContact CD2-CG 4.31Å; L787-I818 HydrophobicContact CD2-CG1 3.75Å |
| 788 | I | 93 | Very high | 88.5 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.7 | -41.4 | 171.7 | -67.8 | 163.8 | 0 | 0 | 0 | 110.7 | L729 L734 L738 L758 F780 Q784 R785 Q786 L790 A791 R792 | L729-I788 HydrophobicContact CD1-CD1 3.79Å; L729-I788 HydrophobicContact CD2-CB 4.32Å; L729-I788 HydrophobicContact CD2-CG2 3.62Å; L734-I788 HydrophobicContact CD1-CD1 3.95Å; L734-I788 HydrophobicContact CD1-CG1 4.44Å; L734-I788 HydrophobicContact CD1-CG2 4.43Å; L738-I788 HydrophobicContact CD2-CG2 3.86Å; L758-I788 HydrophobicContact CD1-CG1 3.68Å; F780-I788 HydrophobicContact CD1-CD1 4.07Å; F780-I788 HydrophobicContact CD2-CD1 4.5Å; F780-I788 HydrophobicContact CE1-CD1 4.25Å; F780-I788 HydrophobicContact CG-CD1 4.19Å; Q784-I788 VanDerWaalsContact O-CG1 3.3Å; Q784-I788 WeakPolarHBondContact O-CG1 3.24Å; Q784-I788 PolarHBondContact O-N 2.78Å; R785-I788 PolarHBondContact O-N 2.88Å; Q786-I788 VanDerWaalsContact C-N 3.3Å; Q786-I788 PolarHBondContact O-N 3.5Å; I788-L790 VanDerWaalsContact C-N 3.32Å; I788-L790 PolarHBondContact O-N 2.78Å; I788-A791 WeakPolarHBondContact O-CB 3.4Å; I788-A791 PolarHBondContact O-N 2.83Å; I788-R792 WeakPolarHBondContact O-CG 3.45Å; I788-R792 PolarHBondContact O-N 3.45Å |
| 789 | C | 92.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.5 | -36.8 | 172.9 | -71.9 | 0 | 0 | 0 | 0 | 112.6 | I723 P727 R785 Q786 R792 A793 | I723-C789 HydrophobicContact CG2-CB 4.31Å; P727-C789 VanDerWaalsContact CB-SG 3.57Å; R785-C789 PolarHBondContact O-N 2.81Å; Q786-C789 WeakPolarHBondContact O-CB 3.06Å; Q786-C789 PolarHBondContact O-N 3.4Å; Q786-C789 VanDerWaalsContact O-N 3.14Å; C789-R792 WeakPolarHBondContact O-CB 3.49Å; C789-R792 PolarHBondContact O-N 3.43Å; C789-A793 PolarHBondContact O-N 3.42Å; C789-A793 VanDerWaalsContact O-N 3.09Å |
| 790 | L | 92.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.9 | -41.1 | 173.3 | -173.3 | 62.9 | 0 | 0 | 0 | 111.4 | I723 V756 Q786 L787 I788 R792 A793 L794 T821 I822 F826 | I723-L790 HydrophobicContact CD1-CB 4.26Å; I723-L790 HydrophobicContact CD1-CD1 3.4Å; I723-L790 VanDerWaalsContact CD1-CD1 3.4Å; I723-L790 HydrophobicContact CD1-CG 4.43Å; V756-L790 HydrophobicContact CB-CD2 4.49Å; V756-L790 HydrophobicContact CG1-CB 4.03Å; V756-L790 HydrophobicContact CG1-CD2 3.84Å; V756-L790 HydrophobicContact CG1-CG 3.77Å; Q786-L790 PolarHBondContact O-N 3.44Å; L787-L790 HydrophobicContact CD2-CD2 4.32Å; L787-L790 WeakPolarHBondContact O-CB 3.4Å; L787-L790 PolarHBondContact O-N 3.33Å; I788-L790 VanDerWaalsContact C-N 3.32Å; I788-L790 PolarHBondContact O-N 2.78Å; L790-R792 VanDerWaalsContact C-N 3.34Å; L790-R792 PolarHBondContact O-N 3.31Å; L790-A793 WeakPolarHBondContact O-CB 3.42Å; L790-A793 PolarHBondContact O-N 3.13Å; L790-A793 VanDerWaalsContact O-N 3.11Å; L790-L794 WeakPolarHBondContact O-CG 3.45Å; L790-L794 PolarHBondContact O-N 3.33Å; L790-T821 HydrophobicContact CD2-CG2 3.68Å; L790-T821 HydrophobicContact CG-CG2 4.37Å; L790-I822 HydrophobicContact CD1-CG1 4.15Å; L790-F826 HydrophobicContact CD1-CE2 3.76Å; L790-F826 HydrophobicContact CD1-CZ 4.32Å |
| 791 | A | 94.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.4 | -39.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L738 L753 V756 L787 I788 A793 L794 L795 | L738-A791 HydrophobicContact CD2-CB 3.87Å; L753-A791 HydrophobicContact CD2-CB 4.26Å; V756-A791 HydrophobicContact CG1-CB 4.27Å; V756-A791 HydrophobicContact CG2-CB 4.13Å; L787-A791 PolarHBondContact O-N 2.88Å; I788-A791 WeakPolarHBondContact O-CB 3.4Å; I788-A791 PolarHBondContact O-N 2.83Å; A791-A793 VanDerWaalsContact C-N 3.29Å; A791-A793 PolarHBondContact O-N 3.5Å; A791-L794 PolarHBondContact O-N 3.02Å; A791-L795 WeakPolarHBondContact O-CG 3.5Å; A791-L795 PolarHBondContact O-N 2.9Å |
| 792 | R | 94.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.015 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.3 | -39.5 | 172.3 | -66.9 | 170.5 | 176.1 | 167.1 | -11.6 | 112 | W31 I728 N737 L738 I788 C789 L790 R796 | W31-R792 HydrophobicContact CH2-CG 4.45Å; I728-R792 PolarHBondContact O-NH1 3.42Å; I728-R792 PolarHBondContact O-NH2 3.38Å; N737-R792 VanDerWaalsContact O-CZ 3.26Å; N737-R792 PolarHBondContact O-NE 2.89Å; N737-R792 PolarHBondContact O-NH2 3.35Å; N737-R792 PolarHBondContact OD1-NH2 2.98Å; L738-R792 HydrophobicContact CD2-CG 4.26Å; I788-R792 WeakPolarHBondContact O-CG 3.45Å; I788-R792 PolarHBondContact O-N 3.45Å; C789-R792 WeakPolarHBondContact O-CB 3.49Å; C789-R792 PolarHBondContact O-N 3.43Å; L790-R792 VanDerWaalsContact C-N 3.34Å; L790-R792 PolarHBondContact O-N 3.31Å; R792-R796 WeakPolarHBondContact O-CG 3.4Å |
| 793 | A | 93.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.9 | -38.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S721 I723 C789 L790 A791 L801 F826 | S721-A793 PolarHBondContact OG-O 3.24Å; I723-A793 HydrophobicContact CG1-CB 4.36Å; C789-A793 PolarHBondContact O-N 3.42Å; C789-A793 VanDerWaalsContact O-N 3.09Å; L790-A793 WeakPolarHBondContact O-CB 3.42Å; L790-A793 PolarHBondContact O-N 3.13Å; L790-A793 VanDerWaalsContact O-N 3.11Å; A791-A793 VanDerWaalsContact C-N 3.29Å; A791-A793 PolarHBondContact O-N 3.5Å; A793-L801 HydrophobicContact CB-CD1 4.03Å; A793-F826 HydrophobicContact CB-CE1 4.41Å; A793-F826 HydrophobicContact CB-CZ 3.96Å |
| 794 | L | 93.2 | Very high | 92.1 | Very high | 16 Ų | 16 | 25.2 Ų | 25.2 | 8% | 0.084 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.2 | -43.7 | 177 | -72.5 | 169.9 | 0 | 0 | 0 | 112.4 | A752 Q755 V756 L790 A791 R796 K797 E825 F826 | A752-L794 HydrophobicContact CB-CB 4.46Å; Q755-L794 HydrophobicContact CB-CD1 3.91Å; V756-L794 HydrophobicContact CG1-CD1 3.55Å; L790-L794 WeakPolarHBondContact O-CG 3.45Å; L790-L794 PolarHBondContact O-N 3.33Å; A791-L794 PolarHBondContact O-N 3.02Å; L794-R796 PolarHBondContact O-N 3.48Å; L794-K797 VanDerWaalsContact O-CG 3.29Å; L794-K797 WeakPolarHBondContact O-CG 3.46Å; L794-K797 PolarHBondContact O-N 3.15Å; L794-E825 HydrophobicContact CD2-CB 3.54Å; L794-E825 HydrophobicContact CD2-CG 4.02Å; L794-F826 HydrophobicContact CD2-CD2 4.24Å; L794-F826 HydrophobicContact CD2-CE1 4.26Å; L794-F826 HydrophobicContact CD2-CE2 3.43Å; L794-F826 VanDerWaalsContact CD2-CE2 3.43Å; L794-F826 HydrophobicContact CD2-CZ 3.45Å; L794-F826 VanDerWaalsContact CD2-CZ 3.45Å; L794-F826 HydrophobicContact CG-CE2 3.94Å; L794-F826 HydrophobicContact CG-CZ 3.79Å |
| 795 | L | 93.5 | Very high | 91.7 | Very high | 11 Ų | 11 | 23.9 Ų | 23.9 | 6% | 0.058 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.5 | -37 | 179.7 | -75.1 | 171.9 | 0 | 0 | 0 | 112.5 | L738 H744 E748 I749 A752 A791 K797 | L738-L795 HydrophobicContact CB-CD1 4.21Å; H744-L795 PolarHBondContact CE1-O 3.4Å; H744-L795 PolarHBondContact NE2-O 3.46Å; E748-L795 HydrophobicContact CB-CD2 4.48Å; I749-L795 HydrophobicContact CG1-CD1 4.4Å; I749-L795 HydrophobicContact CG1-CD2 4.42Å; A752-L795 HydrophobicContact CB-CD2 3.72Å; A752-L795 HydrophobicContact CB-CG 3.82Å; A791-L795 WeakPolarHBondContact O-CG 3.5Å; A791-L795 PolarHBondContact O-N 2.9Å; L795-K797 PolarHBondContact O-N 3.22Å |
| 796 | R | 90.1 | Very high | 90.9 | Very high | 51 Ų | 51 | 21.5 Ų | 21.5 | 19% | 0.192 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -75.7 | -19.7 | -177.4 | -65 | 175.7 | 71.4 | -164.9 | -1.8 | 114.4 | R717 K718 I720 R792 L794 N798 | R717-R796 PolarHBondContact O-NH2 3.42Å; K718-R796 PolarHBondContact O-NH2 3.17Å; I720-R796 VanDerWaalsContact O-CZ 3.32Å; I720-R796 PolarHBondContact O-NH1 2.96Å; I720-R796 PolarHBondContact O-NH2 3.23Å; I720-R796 VanDerWaalsContact O-NH2 3.09Å; R792-R796 WeakPolarHBondContact O-CG 3.4Å; L794-R796 PolarHBondContact O-N 3.48Å; R796-N798 PolarHBondContact O-N 2.72Å |
| 797 | K | 87.8 | Confident | 90.1 | Very high | 165 Ų | 165 | 21.7 Ų | 21.7 | 72% | 0.717 | 10% | 0.096 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 36.7 | 177.4 | -58.2 | -178.8 | -171.9 | 174.4 | 0 | 114.9 | L794 L795 | L794-K797 VanDerWaalsContact O-CG 3.29Å; L794-K797 WeakPolarHBondContact O-CG 3.46Å; L794-K797 PolarHBondContact O-N 3.15Å; L795-K797 PolarHBondContact O-N 3.22Å |
| 798 | N | 92.4 | Very high | 88.8 | Confident | 15 Ų | 15 | 22.7 Ų | 22.7 | 8% | 0.08 | 11% | 0.106 | C | C | . | . | trans | -76 | 152.4 | -179.7 | -73.4 | -34.7 | 0 | 0 | 0 | 112.4 | K718 K719 S721 R796 I800 C829 | K718-N798 PolarHBondContact O-ND2 3.12Å; K718-N798 VanDerWaalsContact O-ND2 3.15Å; K718-N798 PolarHBondContact O-OD1 3.4Å; K719-N798 VanDerWaalsContact C-CG 3.41Å; K719-N798 WeakPolarHBondContact CA-OD1 3.4Å; K719-N798 WeakPolarHBondContact O-CB 3.48Å; K719-N798 VanDerWaalsContact O-CG 3.27Å; K719-N798 PolarHBondContact O-OD1 3.36Å; S721-N798 PolarHBondContact N-ND2 3Å; S721-N798 PolarHBondContact OG-ND2 3.25Å; S721-N798 VanDerWaalsContact OG-ND2 3.1Å; R796-N798 PolarHBondContact O-N 2.72Å; N798-I800 VanDerWaalsContact C-N 3.31Å; N798-I800 PolarHBondContact O-N 2.91Å; N798-C829 PolarHBondContact O-SG 3.5Å | ||
| 799 | R | 93.6 | Very high | 87.5 | Confident | 112 Ų | 112 | 27.4 Ų | 27.4 | 42% | 0.423 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -76.5 | -15.1 | 176.5 | -65.8 | -63.5 | -173.5 | -176 | -2.7 | 114.2 | P639 C829 S830 | P639-R799 HydrophobicContact CG-CB 4.43Å; P639-R799 WeakPolarHBondContact O-CG 3.35Å; R799-C829 CarbonylContact O-C 3.58Å; R799-C829 VanDerWaalsContact O-CA 3.32Å; R799-C829 WeakPolarHBondContact O-CA 3.36Å; R799-C829 WeakPolarHBondContact O-CB 3.34Å; R799-S830 PolarHBondContact O-N 3.32Å |
| 800 | I | 95.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 124.1 | -178.2 | -55.9 | 167.3 | 0 | 0 | 0 | 108.6 | P639 V644 I703 I720 S721 N798 S830 | P639-I800 HydrophobicContact CG-CD1 4.26Å; V644-I800 HydrophobicContact CG2-CD1 3.7Å; V644-I800 HydrophobicContact CG2-CG1 4.32Å; V644-I800 HydrophobicContact CG2-CG2 4.39Å; I703-I800 HydrophobicContact CD1-CD1 4.23Å; I703-I800 HydrophobicContact CG2-CD1 3.69Å; I720-I800 HydrophobicContact CG2-CB 4.43Å; I720-I800 HydrophobicContact CG2-CG2 4.05Å; S721-I800 PolarHBondContact N-O 2.89Å; N798-I800 VanDerWaalsContact C-N 3.31Å; N798-I800 PolarHBondContact O-N 2.91Å; I800-S830 WeakPolarHBondContact CA-O 3.21Å |
| 801 | L | 95.1 | Very high | 85.5 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 129.5 | 175.8 | 179.8 | 66.5 | 0 | 0 | 0 | 110.1 | S721 I723 A793 L803 F826 S830 V831 L832 | S721-L801 CarbonylContact O-C 3.57Å; S721-L801 WeakPolarHBondContact O-CA 3.38Å; I723-L801 HydrophobicContact CG1-CD1 4.28Å; A793-L801 HydrophobicContact CB-CD1 4.03Å; L801-L803 HydrophobicContact CD1-CD2 4.32Å; L801-L803 HydrophobicContact CD2-CD2 3.93Å; L801-L803 HydrophobicContact CD2-CG 4.42Å; L801-L803 HydrophobicContact CG-CD2 3.98Å; L801-L803 HydrophobicContact CG-CG 4.39Å; L801-F826 HydrophobicContact CB-CD1 4.42Å; L801-F826 HydrophobicContact CD1-CE1 4.22Å; L801-F826 HydrophobicContact CD2-CB 4.21Å; L801-F826 HydrophobicContact CD2-CD1 3.69Å; L801-F826 HydrophobicContact CD2-CD2 4.09Å; L801-F826 HydrophobicContact CD2-CE1 3.96Å; L801-F826 HydrophobicContact CD2-CE2 4.33Å; L801-F826 HydrophobicContact CD2-CG 3.73Å; L801-F826 HydrophobicContact CD2-CZ 4.25Å; L801-F826 HydrophobicContact CG-CD1 4.47Å; L801-S830 PolarHBondContact N-O 3.1Å; L801-V831 HydrophobicContact CB-CG2 4.38Å; L801-V831 HydrophobicContact CD2-CG1 4.34Å; L801-V831 HydrophobicContact CD2-CG2 4.45Å; L801-V831 CarbonylContact O-C 3.57Å; L801-V831 WeakPolarHBondContact O-CA 3.3Å; L801-L832 PolarHBondContact O-N 3.25Å |
| 802 | V | 94.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.7 | 175.2 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | I688 L691 F692 I720 S721 I722 I723 L832 | I688-V802 HydrophobicContact CD1-CG1 3.74Å; I688-V802 HydrophobicContact CG1-CG1 3.92Å; L691-V802 HydrophobicContact CD2-CG2 3.75Å; F692-V802 HydrophobicContact CE2-CB 4.39Å; F692-V802 HydrophobicContact CE2-CG2 4.13Å; I720-V802 HydrophobicContact CG2-CG2 3.87Å; S721-V802 PolarHBondContact O-N 3.32Å; I722-V802 CarbonylContact C-O 3.44Å; I722-V802 VanDerWaalsContact CA-O 3.3Å; I722-V802 WeakPolarHBondContact CA-O 3.27Å; I722-V802 HydrophobicContact CB-CB 4.48Å; I722-V802 HydrophobicContact CD1-CG1 4.32Å; I722-V802 HydrophobicContact CG1-CB 4.33Å; I723-V802 PolarHBondContact N-O 3.27Å; V802-L832 CarbonylContact C-O 3.19Å; V802-L832 WeakPolarHBondContact CA-O 3.47Å |
| 803 | L | 91.9 | Very high | 83.8 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 115.8 | 177 | -54.4 | 177 | 0 | 0 | 0 | 108.4 | I723 L801 A806 I822 V831 L832 T833 I834 | I723-L803 HydrophobicContact CB-CD2 3.86Å; I723-L803 HydrophobicContact CD1-CD2 3.48Å; I723-L803 VanDerWaalsContact CD1-CD2 3.48Å; I723-L803 HydrophobicContact CG1-CD2 3.73Å; L801-L803 HydrophobicContact CD1-CD2 4.32Å; L801-L803 HydrophobicContact CD2-CD2 3.93Å; L801-L803 HydrophobicContact CD2-CG 4.42Å; L801-L803 HydrophobicContact CG-CD2 3.98Å; L801-L803 HydrophobicContact CG-CG 4.39Å; L803-A806 HydrophobicContact CB-CB 4.5Å; L803-I822 HydrophobicContact CD1-CD1 3.78Å; L803-I822 HydrophobicContact CD2-CD1 4.25Å; L803-V831 HydrophobicContact CD1-CG1 3.87Å; L803-V831 HydrophobicContact CG-CG1 4.18Å; L803-L832 PolarHBondContact N-O 2.85Å; L803-T833 HydrophobicContact CB-CG2 4.2Å; L803-T833 HydrophobicContact CD1-CG2 4.19Å; L803-I834 PolarHBondContact O-N 2.95Å |
| 804 | D | 88 | Confident | 83.2 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 91.5 | 180 | -168.3 | 20.6 | 0 | 0 | 0 | 109.8 | I688 I723 P724 Q725 A806 | I688-D804 HydrophobicContact CD1-CB 3.59Å; I688-D804 VanDerWaalsContact CD1-CG 3.47Å; I723-D804 PolarHBondContact O-N 3.25Å; P724-D804 CarbonylContact C-O 3.59Å; Q725-D804 WeakPolarHBondContact CA-O 3.4Å; Q725-D804 PolarHBondContact N-O 3.36Å; D804-A806 PolarHBondContact O-N 3.28Å |
| 805 | E | 80.7 | Confident | 82.6 | Confident | 28 Ų | 28 | 43.8 Ų | 43.8 | 13% | 0.131 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 48.9 | 34.6 | 179.5 | -62.7 | -172.1 | -176.3 | 0 | 0 | 114.1 | Q725 T807 A808 I834 | Q725-E805 HydrophobicContact CG-CB 4.25Å; Q725-E805 PolarHBondContact NE2-OE2 2.96Å; E805-T807 PolarHBondContact O-N 3.43Å; E805-A808 HydrophobicContact CB-CB 4.44Å; E805-A808 WeakPolarHBondContact O-CB 3.33Å; E805-A808 PolarHBondContact O-N 3.38Å; E805-A808 VanDerWaalsContact O-N 3.1Å; E805-I834 WeakPolarHBondContact CA-O 3.3Å; E805-I834 HydrophobicContact CG-CG2 4.18Å; E805-I834 PolarHBondContact N-O 3.15Å |
| 806 | A | 72.4 | Confident | 82.1 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -11.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | I723 Q786 L803 D804 | I723-A806 HydrophobicContact CB-CB 4.34Å; I723-A806 HydrophobicContact CG2-CB 3.76Å; Q786-A806 VanDerWaalsContact CG-O 3.29Å; Q786-A806 WeakPolarHBondContact CG-O 3.25Å; Q786-A806 VanDerWaalsContact NE2-CB 3.3Å; Q786-A806 PolarHBondContact NE2-O 3.4Å; L803-A806 HydrophobicContact CB-CB 4.5Å; D804-A806 PolarHBondContact O-N 3.28Å |
| 807 | T | 71.6 | Confident | 81.9 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 6% | 0.055 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | 7.3 | -174.5 | 66.8 | 0 | 0 | 0 | 0 | 113.1 | E805 N809 V810 D815 I818 R837 | E805-T807 PolarHBondContact O-N 3.43Å; T807-N809 VanDerWaalsContact C-N 3.31Å; T807-N809 PolarHBondContact O-N 3.17Å; T807-V810 PolarHBondContact O-N 3.06Å; T807-D815 WeakPolarHBondContact CB-OD1 3.34Å; T807-D815 WeakPolarHBondContact CG2-OD1 3.41Å; T807-D815 PolarHBondContact OG1-OD1 3.32Å; T807-I818 HydrophobicContact CG2-CG2 4.17Å; T807-R837 PolarHBondContact O-NH1 3.27Å; T807-R837 PolarHBondContact O-NH2 3.04Å |
| 808 | A | 64.3 | Low | 81.8 | Confident | 30 Ų | 30 | 37.9 Ų | 37.9 | 25% | 0.248 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -39.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E805 R837 | E805-A808 HydrophobicContact CB-CB 4.44Å; E805-A808 WeakPolarHBondContact O-CB 3.33Å; E805-A808 PolarHBondContact O-N 3.38Å; E805-A808 VanDerWaalsContact O-N 3.1Å; A808-R837 PolarHBondContact O-NH2 2.64Å |
| 809 | N | 65.5 | Low | 81.4 | Confident | 99 Ų | 99 | 38.5 Ų | 38.5 | 53% | 0.529 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 24.2 | -172.5 | -62.3 | -25.7 | 0 | 0 | 0 | 113.3 | V782 T807 | V782-N809 HydrophobicContact CG1-CB 4.03Å; V782-N809 WeakPolarHBondContact CG1-O 3.24Å; T807-N809 VanDerWaalsContact C-N 3.31Å; T807-N809 PolarHBondContact O-N 3.17Å |
| 810 | V | 71.8 | Confident | 81 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -119.1 | 143 | -173.8 | -176.9 | 0 | 0 | 0 | 0 | 110 | Q786 T807 T814 I818 | Q786-V810 HydrophobicContact CB-CG2 4.34Å; Q786-V810 HydrophobicContact CG-CG2 4.34Å; T807-V810 PolarHBondContact O-N 3.06Å; V810-T814 HydrophobicContact CG1-CG2 3.37Å; V810-I818 HydrophobicContact CG1-CD1 4.16Å |
| 811 | D | 72 | Confident | 80.7 | Confident | 52 Ų | 52 | 37.6 Ų | 37.6 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | trans | -65.2 | 159.7 | 176.9 | 68.7 | 73.4 | 0 | 0 | 0 | 112.3 | L183 N813 T814 D815 | L183-D811 HydrophobicContact CB-CB 4.4Å; L183-D811 HydrophobicContact CD1-CB 3.7Å; D811-N813 VanDerWaalsContact C-N 3.28Å; D811-N813 PolarHBondContact O-N 3.15Å; D811-N813 WeakPolarHBondContact OD1-CA 3.28Å; D811-N813 WeakPolarHBondContact OD1-CB 3.5Å; D811-N813 PolarHBondContact OD1-N 3.16Å; D811-T814 VanDerWaalsContact CG-OG1 3.28Å; D811-T814 PolarHBondContact O-N 3.4Å; D811-T814 WeakPolarHBondContact OD1-CB 3.29Å; D811-T814 PolarHBondContact OD1-N 3.43Å; D811-T814 PolarHBondContact OD1-OG1 2.88Å; D811-T814 VanDerWaalsContact OD1-OG1 3.08Å; D811-T814 PolarHBondContact OD2-OG1 2.89Å; D811-D815 VanDerWaalsContact O-CB 3.31Å; D811-D815 WeakPolarHBondContact O-CB 3.33Å; D811-D815 PolarHBondContact O-N 3.41Å | ||
| 812 | L | 74.3 | Confident | 80.3 | Confident | 133 Ų | 133 | 38 Ų | 38 | 70% | 0.696 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -59.6 | -34.4 | -175.2 | -71.7 | 167.7 | 0 | 0 | 0 | 113.6 | S816 | L812-S816 WeakPolarHBondContact O-CB 3.44Å; L812-S816 PolarHBondContact O-N 2.69Å; L812-S816 PolarHBondContact O-OG 2.93Å |
| 813 | N | 77.1 | Confident | 79.9 | Confident | 136 Ų | 136 | 44.1 Ų | 44.1 | 73% | 0.727 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -72.2 | -45.3 | -179.1 | -66.4 | -28.9 | 0 | 0 | 0 | 110.5 | D811 S816 L817 | D811-N813 VanDerWaalsContact C-N 3.28Å; D811-N813 PolarHBondContact O-N 3.15Å; D811-N813 WeakPolarHBondContact OD1-CA 3.28Å; D811-N813 WeakPolarHBondContact OD1-CB 3.5Å; D811-N813 PolarHBondContact OD1-N 3.16Å; N813-S816 WeakPolarHBondContact O-CB 3.34Å; N813-S816 PolarHBondContact O-N 3Å; N813-L817 PolarHBondContact O-N 3.32Å |
| 814 | T | 80.6 | Confident | 79.7 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 16% | 0.16 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.4 | -36.2 | 178.4 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | L787 V810 D811 L817 I818 | L787-T814 HydrophobicContact CD1-CG2 4.27Å; L787-T814 HydrophobicContact CG-CG2 4.42Å; V810-T814 HydrophobicContact CG1-CG2 3.37Å; D811-T814 VanDerWaalsContact CG-OG1 3.28Å; D811-T814 PolarHBondContact O-N 3.4Å; D811-T814 WeakPolarHBondContact OD1-CB 3.29Å; D811-T814 PolarHBondContact OD1-N 3.43Å; D811-T814 PolarHBondContact OD1-OG1 2.88Å; D811-T814 VanDerWaalsContact OD1-OG1 3.08Å; D811-T814 PolarHBondContact OD2-OG1 2.89Å; T814-L817 WeakPolarHBondContact O-CB 3.43Å; T814-L817 PolarHBondContact O-N 3.13Å; T814-I818 HydrophobicContact CG2-CD1 4.15Å; T814-I818 VanDerWaalsContact O-CG1 3.27Å; T814-I818 WeakPolarHBondContact O-CG1 3.12Å; T814-I818 PolarHBondContact O-N 3.31Å |
| 815 | D | 82.2 | Confident | 79.7 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 8% | 0.08 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.8 | -48 | 171 | -175 | 20.3 | 0 | 0 | 0 | 110.8 | T807 D811 L817 I818 Q819 R837 | T807-D815 WeakPolarHBondContact CB-OD1 3.34Å; T807-D815 WeakPolarHBondContact CG2-OD1 3.41Å; T807-D815 PolarHBondContact OG1-OD1 3.32Å; D811-D815 VanDerWaalsContact O-CB 3.31Å; D811-D815 WeakPolarHBondContact O-CB 3.33Å; D811-D815 PolarHBondContact O-N 3.41Å; D815-L817 VanDerWaalsContact C-N 3.29Å; D815-L817 PolarHBondContact O-N 2.89Å; D815-I818 PolarHBondContact O-N 3.39Å; D815-I818 VanDerWaalsContact O-N 3.15Å; D815-Q819 WeakPolarHBondContact O-CB 3.42Å; D815-Q819 WeakPolarHBondContact O-CG 3.26Å; D815-Q819 PolarHBondContact O-N 2.82Å; D815-R837 IonicContact OD2-NH1 3.04Å; D815-R837 PolarHBondContact OD2-NH1 3.38Å |
| 816 | S | 82.8 | Confident | 80 | Confident | 76 Ų | 76 | 50.1 Ų | 50.1 | 53% | 0.531 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.9 | -41.9 | 175.7 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | L812 N813 Q819 E820 | L812-S816 WeakPolarHBondContact O-CB 3.44Å; L812-S816 PolarHBondContact O-N 2.69Å; L812-S816 PolarHBondContact O-OG 2.93Å; N813-S816 WeakPolarHBondContact O-CB 3.34Å; N813-S816 PolarHBondContact O-N 3Å; S816-Q819 PolarHBondContact O-N 2.89Å; S816-E820 VanDerWaalsContact O-CB 3.31Å; S816-E820 WeakPolarHBondContact O-CB 3.31Å; S816-E820 PolarHBondContact O-N 2.87Å |
| 817 | L | 85.4 | Confident | 80.7 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 13% | 0.131 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64 | -44.1 | 176 | 176.1 | 62.2 | 0 | 0 | 0 | 112.4 | R757 L787 N813 T814 D815 E820 T821 | R757-L817 HydrophobicContact CB-CD1 4.31Å; R757-L817 HydrophobicContact CB-CD2 4.22Å; R757-L817 VanDerWaalsContact CD-CD1 3.45Å; R757-L817 HydrophobicContact CG-CD1 3.86Å; L787-L817 HydrophobicContact CD1-CD2 4Å; L787-L817 HydrophobicContact CD2-CD2 4.07Å; L787-L817 HydrophobicContact CD2-CG 4.31Å; N813-L817 PolarHBondContact O-N 3.32Å; T814-L817 WeakPolarHBondContact O-CB 3.43Å; T814-L817 PolarHBondContact O-N 3.13Å; D815-L817 VanDerWaalsContact C-N 3.29Å; D815-L817 PolarHBondContact O-N 2.89Å; L817-E820 PolarHBondContact O-N 2.97Å; L817-T821 WeakPolarHBondContact O-CB 3.47Å; L817-T821 PolarHBondContact O-N 3.39Å; L817-T821 PolarHBondContact O-OG1 3.48Å |
| 818 | I | 85.6 | Confident | 81.4 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 177.2 | -70.8 | 164.6 | 0 | 0 | 0 | 109.7 | Q786 L787 T807 V810 T814 D815 T821 I822 | Q786-I818 HydrophobicContact CB-CD1 4.13Å; Q786-I818 HydrophobicContact CG-CD1 3.75Å; L787-I818 HydrophobicContact CD2-CG1 3.75Å; T807-I818 HydrophobicContact CG2-CG2 4.17Å; V810-I818 HydrophobicContact CG1-CD1 4.16Å; T814-I818 HydrophobicContact CG2-CD1 4.15Å; T814-I818 VanDerWaalsContact O-CG1 3.27Å; T814-I818 WeakPolarHBondContact O-CG1 3.12Å; T814-I818 PolarHBondContact O-N 3.31Å; D815-I818 PolarHBondContact O-N 3.39Å; D815-I818 VanDerWaalsContact O-N 3.15Å; I818-T821 PolarHBondContact O-N 2.98Å; I818-I822 HydrophobicContact CG2-CD1 3.6Å; I818-I822 HydrophobicContact CG2-CG1 4.41Å; I818-I822 VanDerWaalsContact O-CG1 3.25Å; I818-I822 WeakPolarHBondContact O-CG1 3.27Å; I818-I822 PolarHBondContact O-N 3.02Å |
| 819 | Q | 83.9 | Confident | 82.7 | Confident | 28 Ų | 28 | 62 Ų | 62 | 13% | 0.131 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 178.5 | -69.6 | -64.6 | -18.2 | 0 | 0 | 112.3 | D815 S816 I822 R823 | D815-Q819 WeakPolarHBondContact O-CB 3.42Å; D815-Q819 WeakPolarHBondContact O-CG 3.26Å; D815-Q819 PolarHBondContact O-N 2.82Å; S816-Q819 PolarHBondContact O-N 2.89Å; Q819-I822 PolarHBondContact O-N 3.39Å; Q819-R823 WeakPolarHBondContact O-CB 3.27Å; Q819-R823 VanDerWaalsContact O-CG 3.24Å; Q819-R823 WeakPolarHBondContact O-CG 3.48Å; Q819-R823 PolarHBondContact O-N 2.7Å |
| 820 | E | 86.5 | Confident | 84.1 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 40% | 0.402 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.5 | -49.4 | 174.5 | -172.3 | -174.7 | 178.7 | 0 | 0 | 110.8 | R757 S816 L817 I822 R823 V824 | R757-E820 IonicContact CZ-OE2 2.75Å; R757-E820 IonicContact NH1-OE2 3.98Å; R757-E820 PolarHBondContact NH1-OE2 3.16Å; R757-E820 IonicContact NH2-OE1 3.36Å; R757-E820 PolarHBondContact NH2-OE1 3.4Å; R757-E820 IonicContact NH2-OE2 3.97Å; R757-E820 PolarHBondContact NH2-OE2 3.21Å; S816-E820 VanDerWaalsContact O-CB 3.31Å; S816-E820 WeakPolarHBondContact O-CB 3.31Å; S816-E820 PolarHBondContact O-N 2.87Å; L817-E820 PolarHBondContact O-N 2.97Å; E820-I822 PolarHBondContact O-N 3.45Å; E820-R823 PolarHBondContact O-N 3.02Å; E820-V824 WeakPolarHBondContact O-CG2 3.47Å; E820-V824 PolarHBondContact O-N 3.24Å |
| 821 | T | 88 | Confident | 85.2 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -42 | -180 | -51 | 0 | 0 | 0 | 0 | 111.5 | V756 L790 L817 I818 R823 V824 E825 | V756-T821 HydrophobicContact CG1-CG2 4.35Å; L790-T821 HydrophobicContact CD2-CG2 3.68Å; L790-T821 HydrophobicContact CG-CG2 4.37Å; L817-T821 WeakPolarHBondContact O-CB 3.47Å; L817-T821 PolarHBondContact O-N 3.39Å; L817-T821 PolarHBondContact O-OG1 3.48Å; I818-T821 PolarHBondContact O-N 2.98Å; T821-R823 VanDerWaalsContact C-N 3.33Å; T821-R823 PolarHBondContact O-N 3.41Å; T821-V824 PolarHBondContact O-N 3.27Å; T821-E825 HydrophobicContact CG2-CG 4.02Å; T821-E825 WeakPolarHBondContact O-CB 3.4Å; T821-E825 PolarHBondContact O-N 3.29Å |
| 822 | I | 87.2 | Confident | 86.2 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.9 | -69.5 | 163.7 | 0 | 0 | 0 | 111 | L790 L803 I818 Q819 E820 F826 | L790-I822 HydrophobicContact CD1-CG1 4.15Å; L803-I822 HydrophobicContact CD1-CD1 3.78Å; L803-I822 HydrophobicContact CD2-CD1 4.25Å; I818-I822 HydrophobicContact CG2-CD1 3.6Å; I818-I822 HydrophobicContact CG2-CG1 4.41Å; I818-I822 VanDerWaalsContact O-CG1 3.25Å; I818-I822 WeakPolarHBondContact O-CG1 3.27Å; I818-I822 PolarHBondContact O-N 3.02Å; Q819-I822 PolarHBondContact O-N 3.39Å; E820-I822 PolarHBondContact O-N 3.45Å; I822-F826 WeakPolarHBondContact O-CB 3.35Å; I822-F826 PolarHBondContact O-N 3.23Å |
| 823 | R | 85.3 | Confident | 87.1 | Confident | 130 Ų | 130 | 49.1 Ų | 49.1 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.3 | -37.9 | 179.8 | -73.9 | 171 | 178.6 | 172.2 | 4.1 | 112.8 | Q819 E820 T821 D843 | Q819-R823 WeakPolarHBondContact O-CB 3.27Å; Q819-R823 VanDerWaalsContact O-CG 3.24Å; Q819-R823 WeakPolarHBondContact O-CG 3.48Å; Q819-R823 PolarHBondContact O-N 2.7Å; E820-R823 PolarHBondContact O-N 3.02Å; T821-R823 VanDerWaalsContact C-N 3.33Å; T821-R823 PolarHBondContact O-N 3.41Å; R823-D843 IonicContact CZ-OD2 3.86Å; R823-D843 IonicContact NE-OD2 3.46Å; R823-D843 PolarHBondContact NE-OD2 3.13Å; R823-D843 VanDerWaalsContact NE-OD2 3.16Å; R823-D843 IonicContact NH2-OD2 3.02Å; R823-D843 PolarHBondContact NH2-OD2 3.01Å |
| 824 | V | 87.9 | Confident | 87.7 | Confident | 92 Ų | 92 | 42.7 Ų | 42.7 | 56% | 0.558 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -80.3 | -55.5 | -177.6 | 175 | 0 | 0 | 0 | 0 | 111.2 | E820 T821 | E820-V824 WeakPolarHBondContact O-CG2 3.47Å; E820-V824 PolarHBondContact O-N 3.24Å; T821-V824 PolarHBondContact O-N 3.27Å |
| 825 | E | 88.3 | Confident | 87.5 | Confident | 75 Ų | 75 | 41.9 Ų | 41.9 | 35% | 0.35 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -82.9 | -29.8 | -167.9 | -62.4 | -63.7 | 154.2 | 0 | 0 | 113.3 | Q755 L794 T821 | Q755-E825 HydrophobicContact CB-CG 4.45Å; Q755-E825 PolarHBondContact NE2-OE2 3.1Å; L794-E825 HydrophobicContact CD2-CB 3.54Å; L794-E825 HydrophobicContact CD2-CG 4.02Å; T821-E825 HydrophobicContact CG2-CG 4.02Å; T821-E825 WeakPolarHBondContact O-CB 3.4Å; T821-E825 PolarHBondContact O-N 3.29Å |
| 826 | F | 88.2 | Confident | 87.1 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.035 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 23.3 | -176.9 | -62.4 | -90.3 | 0 | 0 | 0 | 113.4 | L790 A793 L794 L801 I822 H828 C829 | L790-F826 HydrophobicContact CD1-CE2 3.76Å; L790-F826 HydrophobicContact CD1-CZ 4.32Å; A793-F826 HydrophobicContact CB-CE1 4.41Å; A793-F826 HydrophobicContact CB-CZ 3.96Å; L794-F826 HydrophobicContact CD2-CD2 4.24Å; L794-F826 HydrophobicContact CD2-CE1 4.26Å; L794-F826 HydrophobicContact CD2-CE2 3.43Å; L794-F826 VanDerWaalsContact CD2-CE2 3.43Å; L794-F826 HydrophobicContact CD2-CZ 3.45Å; L794-F826 VanDerWaalsContact CD2-CZ 3.45Å; L794-F826 HydrophobicContact CG-CE2 3.94Å; L794-F826 HydrophobicContact CG-CZ 3.79Å; L801-F826 HydrophobicContact CB-CD1 4.42Å; L801-F826 HydrophobicContact CD1-CE1 4.22Å; L801-F826 HydrophobicContact CD2-CB 4.21Å; L801-F826 HydrophobicContact CD2-CD1 3.69Å; L801-F826 HydrophobicContact CD2-CD2 4.09Å; L801-F826 HydrophobicContact CD2-CE1 3.96Å; L801-F826 HydrophobicContact CD2-CE2 4.33Å; L801-F826 HydrophobicContact CD2-CG 3.73Å; L801-F826 HydrophobicContact CD2-CZ 4.25Å; L801-F826 HydrophobicContact CG-CD1 4.47Å; I822-F826 WeakPolarHBondContact O-CB 3.35Å; I822-F826 PolarHBondContact O-N 3.23Å; F826-H828 PolarHBondContact O-N 2.92Å; F826-H828 VanDerWaalsContact O-N 3.15Å; F826-C829 HydrophobicContact CB-CB 4.32Å; F826-C829 HydrophobicContact CD1-CB 4.42Å; F826-C829 PolarHBondContact O-N 3.39Å; F826-C829 VanDerWaalsContact O-N 3.13Å |
| 827 | K | 85.5 | Confident | 86.7 | Confident | 148 Ų | 148 | 45.8 Ų | 45.8 | 64% | 0.643 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -32 | -179.3 | -175.4 | 179.4 | 178.3 | -177.3 | 0 | 113.9 | ||
| 828 | H | 86.6 | Confident | 86.5 | Confident | 134 Ų | 134 | 45.6 Ų | 45.6 | 62% | 0.62 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 8.4 | -176.5 | -60.6 | -64.1 | 0 | 0 | 0 | 113.8 | F826 | F826-H828 PolarHBondContact O-N 2.92Å; F826-H828 VanDerWaalsContact O-N 3.15Å |
| 829 | C | 92.2 | Very high | 86.3 | Confident | 16 Ų | 16 | 49.9 Ų | 49.9 | 11% | 0.108 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -106.6 | 145.6 | -178.4 | -58.5 | 0 | 0 | 0 | 0 | 109.8 | N798 R799 F826 | N798-C829 PolarHBondContact O-SG 3.5Å; R799-C829 CarbonylContact O-C 3.58Å; R799-C829 VanDerWaalsContact O-CA 3.32Å; R799-C829 WeakPolarHBondContact O-CA 3.36Å; R799-C829 WeakPolarHBondContact O-CB 3.34Å; F826-C829 HydrophobicContact CB-CB 4.32Å; F826-C829 HydrophobicContact CD1-CB 4.42Å; F826-C829 PolarHBondContact O-N 3.39Å; F826-C829 VanDerWaalsContact O-N 3.13Å |
| 830 | S | 94.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 124.7 | 166.7 | -49.1 | 0 | 0 | 0 | 0 | 108.5 | G642 K669 P670 G671 E672 R799 I800 L801 | G642-S830 VanDerWaalsContact O-CB 3.27Å; G642-S830 WeakPolarHBondContact O-CB 3.14Å; G642-S830 PolarHBondContact O-OG 2.82Å; K669-S830 PolarHBondContact O-OG 3.34Å; P670-S830 WeakPolarHBondContact CA-OG 3.38Å; G671-S830 PolarHBondContact N-OG 3.12Å; E672-S830 CarbonylContact O-C 3.54Å; E672-S830 WeakPolarHBondContact O-CA 3.31Å; R799-S830 PolarHBondContact O-N 3.32Å; I800-S830 WeakPolarHBondContact CA-O 3.21Å; L801-S830 PolarHBondContact N-O 3.1Å |
| 831 | V | 94.2 | Very high | 86.1 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 121.2 | -174.3 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | E672 K673 L674 L801 L803 | E672-V831 PolarHBondContact O-N 3.06Å; K673-V831 CarbonylContact C-O 3.58Å; K673-V831 WeakPolarHBondContact CA-O 3.35Å; K673-V831 HydrophobicContact CG-CB 4.29Å; K673-V831 HydrophobicContact CG-CG2 4.44Å; L674-V831 PolarHBondContact N-O 3.08Å; L801-V831 HydrophobicContact CB-CG2 4.38Å; L801-V831 HydrophobicContact CD2-CG1 4.34Å; L801-V831 HydrophobicContact CD2-CG2 4.45Å; L801-V831 CarbonylContact O-C 3.57Å; L801-V831 WeakPolarHBondContact O-CA 3.3Å; L803-V831 HydrophobicContact CD1-CG1 3.87Å; L803-V831 HydrophobicContact CG-CG1 4.18Å |
| 832 | L | 94.6 | Very high | 86.1 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 115.6 | 169.7 | 178 | 64.9 | 0 | 0 | 0 | 109.2 | L674 L691 L801 V802 L803 | L674-L832 HydrophobicContact CB-CD1 4.32Å; L674-L832 HydrophobicContact CD2-CD1 4.08Å; L674-L832 HydrophobicContact CG-CD1 4.13Å; L674-L832 WeakPolarHBondContact O-CA 3.47Å; L691-L832 HydrophobicContact CD2-CD2 4.24Å; L801-L832 PolarHBondContact O-N 3.25Å; V802-L832 CarbonylContact C-O 3.19Å; V802-L832 WeakPolarHBondContact CA-O 3.47Å; L803-L832 PolarHBondContact N-O 2.85Å |
| 833 | T | 92.9 | Very high | 86 | Confident | 12 Ų | 12 | 45.5 Ų | 45.5 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 114.6 | -176 | -52.5 | 0 | 0 | 0 | 0 | 110.9 | L674 G675 L676 L803 A835 I841 | L674-T833 PolarHBondContact O-N 3.49Å; G675-T833 CarbonylContact C-O 3.54Å; G675-T833 WeakPolarHBondContact CA-O 3.28Å; L676-T833 PolarHBondContact N-O 3.32Å; L803-T833 HydrophobicContact CB-CG2 4.2Å; L803-T833 HydrophobicContact CD1-CG2 4.19Å; T833-A835 HydrophobicContact CG2-CB 4.41Å; T833-I841 HydrophobicContact CG2-CG1 4.24Å |
| 834 | I | 89.4 | Confident | 86.2 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 122.9 | 164.2 | -52.6 | -161.4 | 0 | 0 | 0 | 107.5 | L676 K684 I688 L803 E805 | L676-I834 HydrophobicContact CB-CG1 4.2Å; L676-I834 HydrophobicContact CD2-CD1 3.59Å; L676-I834 HydrophobicContact CD2-CG1 3.82Å; L676-I834 HydrophobicContact CD2-CG2 4.48Å; K684-I834 HydrophobicContact CB-CD1 4.31Å; K684-I834 HydrophobicContact CB-CG2 3.88Å; K684-I834 HydrophobicContact CD-CG2 4.03Å; K684-I834 VanDerWaalsContact O-CD1 3.27Å; K684-I834 WeakPolarHBondContact O-CD1 3.32Å; I688-I834 HydrophobicContact CD1-CD1 3.41Å; I688-I834 VanDerWaalsContact CD1-CD1 3.41Å; I688-I834 HydrophobicContact CD1-CG1 4.07Å; I688-I834 HydrophobicContact CG1-CD1 3.53Å; I688-I834 HydrophobicContact CG1-CG1 4.43Å; L803-I834 PolarHBondContact O-N 2.95Å; E805-I834 WeakPolarHBondContact CA-O 3.3Å; E805-I834 HydrophobicContact CG-CG2 4.18Å; E805-I834 PolarHBondContact N-O 3.15Å |
| 835 | A | 76.8 | Confident | 86.4 | Confident | 8 Ų | 8 | 37 Ų | 37 | 7% | 0.066 | 18% | 0.177 | C | C | . | . | trans | -139.8 | 148.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T833 T840 I841 | T833-A835 HydrophobicContact CG2-CB 4.41Å; A835-T840 WeakPolarHBondContact CB-OG1 3.46Å; A835-I841 HydrophobicContact CB-CD1 3.43Å; A835-I841 VanDerWaalsContact CB-CD1 3.43Å; A835-I841 HydrophobicContact CB-CG1 3.8Å | ||
| 836 | H | 72.3 | Confident | 86.6 | Confident | 87 Ų | 87 | 35.2 Ų | 35.2 | 40% | 0.403 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -87.8 | -33 | 166.2 | -168.1 | -91.3 | 0 | 0 | 0 | 111.6 | L838 | H836-L838 PolarHBondContact O-N 3.4Š|
| 837 | R | 74.4 | Confident | 86.9 | Confident | 87 Ų | 87 | 34.9 Ų | 34.9 | 33% | 0.328 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -82.3 | 112.6 | 176.3 | -64.6 | -174.9 | -176.3 | 171.9 | 4.3 | 109.5 | T807 A808 D815 N839 T840 | T807-R837 PolarHBondContact O-NH1 3.27Å; T807-R837 PolarHBondContact O-NH2 3.04Å; A808-R837 PolarHBondContact O-NH2 2.64Å; D815-R837 IonicContact OD2-NH1 3.04Å; D815-R837 PolarHBondContact OD2-NH1 3.38Å; R837-N839 PolarHBondContact O-N 3.42Å; R837-T840 HydrophobicContact CB-CG2 4.37Å; R837-T840 PolarHBondContact O-N 3Å; R837-T840 PolarHBondContact O-OG1 3.45Å |
| 838 | L | 82.4 | Confident | 87.3 | Confident | 21 Ų | 21 | 27.8 Ų | 27.8 | 11% | 0.11 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -60.7 | -30.4 | -178 | -65.4 | 177.6 | 0 | 0 | 0 | 113 | V677 H836 T840 I841 M842 F872 L875 V876 T879 L887 | V677-L838 HydrophobicContact CG1-CD2 3.96Å; H836-L838 PolarHBondContact O-N 3.4Å; L838-T840 PolarHBondContact O-N 3.35Å; L838-T840 VanDerWaalsContact O-N 3.16Å; L838-I841 PolarHBondContact O-N 2.9Å; L838-M842 VanDerWaalsContact O-CG 3.28Å; L838-M842 WeakPolarHBondContact O-CG 3.35Å; L838-M842 PolarHBondContact O-N 3.44Å; L838-F872 HydrophobicContact CD2-CE2 4.31Å; L838-L875 HydrophobicContact CD1-CB 4.4Å; L838-L875 WeakPolarHBondContact CD1-O 3.4Å; L838-V876 HydrophobicContact CD1-CB 4.35Å; L838-V876 HydrophobicContact CD1-CG2 3.75Å; L838-T879 HydrophobicContact CD1-CG2 3.75Å; L838-L887 HydrophobicContact CB-CD1 4.11Å |
| 839 | N | 81.3 | Confident | 87.6 | Confident | 92 Ų | 92 | 21.4 Ų | 21.4 | 49% | 0.492 | 11% | 0.105 | S | C | . | . | G | 310 helix | trans | -53.6 | -36.4 | 178.6 | -167.4 | 17.8 | 0 | 0 | 0 | 113.4 | R837 I841 L887 I890 | R837-N839 PolarHBondContact O-N 3.42Å; N839-I841 PolarHBondContact O-N 2.96Å; N839-L887 HydrophobicContact CB-CD2 3.94Å; N839-I890 WeakPolarHBondContact OD1-CD1 3.22Å |
| 840 | T | 79.6 | Confident | 87.4 | Confident | 10 Ų | 10 | 20.7 Ų | 20.7 | 6% | 0.061 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -76.4 | -9.1 | -178.7 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | A835 R837 L838 | A835-T840 WeakPolarHBondContact CB-OG1 3.46Å; R837-T840 HydrophobicContact CB-CG2 4.37Å; R837-T840 PolarHBondContact O-N 3Å; R837-T840 PolarHBondContact O-OG1 3.45Å; L838-T840 PolarHBondContact O-N 3.35Å; L838-T840 VanDerWaalsContact O-N 3.16Å |
| 841 | I | 86.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -15.5 | -178.3 | -69.4 | 175.6 | 0 | 0 | 0 | 111.4 | V677 T833 A835 L838 N839 D843 C844 V847 | V677-I841 HydrophobicContact CG1-CD1 3.34Å; V677-I841 HydrophobicContact CG1-CG1 4.49Å; V677-I841 HydrophobicContact CG1-CG2 4.19Å; T833-I841 HydrophobicContact CG2-CG1 4.24Å; A835-I841 HydrophobicContact CB-CD1 3.43Å; A835-I841 VanDerWaalsContact CB-CD1 3.43Å; A835-I841 HydrophobicContact CB-CG1 3.8Å; L838-I841 PolarHBondContact O-N 2.9Å; N839-I841 PolarHBondContact O-N 2.96Å; I841-D843 PolarHBondContact O-N 3.08Å; I841-D843 VanDerWaalsContact O-N 3.15Å; I841-C844 HydrophobicContact CG2-CB 4.37Å; I841-C844 WeakPolarHBondContact O-CB 3.42Å; I841-C844 PolarHBondContact O-N 3.4Å; I841-V847 HydrophobicContact CG2-CB 4.34Å; I841-V847 HydrophobicContact CG2-CG1 3.99Å; I841-V847 HydrophobicContact CG2-CG2 3.42Å; I841-V847 VanDerWaalsContact CG2-CG2 3.42Å |
| 842 | M | 87.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -25.6 | -179.2 | -62.6 | -44.7 | -72 | 0 | 0 | 113.7 | L838 P861 L865 F872 L887 I890 A891 | L838-M842 VanDerWaalsContact O-CG 3.28Å; L838-M842 WeakPolarHBondContact O-CG 3.35Å; L838-M842 PolarHBondContact O-N 3.44Å; M842-P861 HydrophobicContact CE-CB 4.45Å; M842-L865 HydrophobicContact CE-CD1 3.48Å; M842-L865 VanDerWaalsContact CE-CD1 3.48Å; M842-F872 HydrophobicContact CE-CE1 4.36Å; M842-F872 HydrophobicContact CE-CZ 4.37Å; M842-F872 HydrophobicContact SD-CE1 4.41Å; M842-F872 HydrophobicContact SD-CZ 3.85Å; M842-L887 HydrophobicContact CE-CB 3.94Å; M842-L887 WeakPolarHBondContact CE-O 3.48Å; M842-L887 HydrophobicContact CG-CB 4.12Å; M842-L887 HydrophobicContact CG-CD2 3.5Å; M842-L887 HydrophobicContact CG-CG 4.37Å; M842-L887 HydrophobicContact SD-CB 4.23Å; M842-L887 HydrophobicContact SD-CD2 4.31Å; M842-I890 HydrophobicContact CB-CB 4.15Å; M842-I890 HydrophobicContact CB-CG2 3.64Å; M842-A891 HydrophobicContact CE-CB 3.52Å |
| 843 | D | 85.8 | Confident | 86 | Confident | 27 Ų | 27 | 29.2 Ų | 29.2 | 14% | 0.144 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 8.4 | 177.2 | 71.2 | -23.7 | 0 | 0 | 0 | 113.7 | R823 I841 R898 | R823-D843 IonicContact CZ-OD2 3.86Å; R823-D843 IonicContact NE-OD2 3.46Å; R823-D843 PolarHBondContact NE-OD2 3.13Å; R823-D843 VanDerWaalsContact NE-OD2 3.16Å; R823-D843 IonicContact NH2-OD2 3.02Å; R823-D843 PolarHBondContact NH2-OD2 3.01Å; I841-D843 PolarHBondContact O-N 3.08Å; I841-D843 VanDerWaalsContact O-N 3.15Å; D843-R898 PolarHBondContact O-NH2 3Å |
| 844 | C | 88.6 | Confident | 85.9 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -74.8 | 149.9 | 173.8 | -70.6 | 0 | 0 | 0 | 0 | 112.1 | K673 I841 V847 R898 | K673-C844 CarbonylContact O-C 3.6Å; K673-C844 WeakPolarHBondContact O-CB 3.35Å; I841-C844 HydrophobicContact CG2-CB 4.37Å; I841-C844 WeakPolarHBondContact O-CB 3.42Å; I841-C844 PolarHBondContact O-N 3.4Å; C844-V847 HydrophobicContact CB-CG2 4.44Å; C844-R898 VanDerWaalsContact O-CZ 3.28Å; C844-R898 PolarHBondContact O-NH1 3.31Å; C844-R898 PolarHBondContact O-NH2 3.37Å |
| 845 | D | 91.9 | Very high | 86 | Confident | 41 Ų | 41 | 35.9 Ų | 35.9 | 22% | 0.219 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -63.1 | -47.2 | 177.8 | -64.3 | -43.3 | 0 | 0 | 0 | 110.7 | E672 K673 E860 R898 | E672-D845 WeakPolarHBondContact CA-OD2 3.24Å; E672-D845 HydrophobicContact CG-CB 3.68Å; K673-D845 PolarHBondContact N-OD2 3.21Å; K673-D845 WeakPolarHBondContact O-CA 3.38Å; K673-D845 WeakPolarHBondContact O-CB 3.3Å; K673-D845 PolarHBondContact O-N 3.36Å; D845-E860 WeakPolarHBondContact O-CG 3.34Å; D845-R898 VanDerWaalsContact CA-CZ 3.49Å; D845-R898 VanDerWaalsContact CA-NH1 3.33Å; D845-R898 PolarHBondContact O-NH1 3.03Å; D845-R898 WeakPolarHBondContact OD1-CD 3.16Å; D845-R898 IonicContact OD1-CZ 2.95Å; D845-R898 IonicContact OD1-NE 3.32Å; D845-R898 PolarHBondContact OD1-NE 3.39Å; D845-R898 IonicContact OD1-NH1 2.75Å; D845-R898 IonicContact OD1-NH2 3.7Å |
| 846 | R | 94.1 | Very high | 86.7 | Confident | 39 Ų | 39 | 39 Ų | 39 | 15% | 0.147 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 161 | 172.5 | -71.7 | -174.4 | -69.5 | 174.4 | 5.6 | 111.1 | T667 E672 K673 L674 G675 Y858 D859 E860 | T667-R846 PolarHBondContact O-NH2 2.96Å; E672-R846 IonicContact OE1-CZ 3.51Å; E672-R846 IonicContact OE1-NE 2.72Å; E672-R846 PolarHBondContact OE1-NE 3.34Å; E672-R846 IonicContact OE1-NH2 2.89Å; E672-R846 PolarHBondContact OE1-NH2 3.45Å; E672-R846 IonicContact OE2-CZ 2.79Å; E672-R846 IonicContact OE2-NE 2.81Å; E672-R846 IonicContact OE2-NH2 3.16Å; E672-R846 PolarHBondContact OE2-NH2 3.41Å; K673-R846 PolarHBondContact O-N 3.34Å; L674-R846 WeakPolarHBondContact CA-O 3.26Å; L674-R846 HydrophobicContact CD1-CB 3.87Å; G675-R846 PolarHBondContact N-O 2.88Å; R846-Y858 HydrophobicContact CB-CE2 4.08Å; R846-Y858 VanDerWaalsContact NH1-CZ 3.29Å; R846-Y858 PolarHBondContact NH1-OH 3.5Å; R846-Y858 PolarHBondContact NH2-OH 2.92Å; R846-D859 CarbonylContact C-O 3.55Å; R846-D859 WeakPolarHBondContact CA-O 3.36Å; R846-E860 HydrophobicContact CG-CG 4.42Å |
| 847 | V | 93.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 138.1 | 177.3 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | G675 V677 I841 C844 Y858 D859 P861 L864 F872 | G675-V847 CarbonylContact O-C 3.6Å; G675-V847 VanDerWaalsContact O-CA 3.32Å; G675-V847 WeakPolarHBondContact O-CA 3.3Å; V677-V847 HydrophobicContact CG1-CG1 4.26Å; V677-V847 HydrophobicContact CG2-CG1 3.67Å; I841-V847 HydrophobicContact CG2-CB 4.34Å; I841-V847 HydrophobicContact CG2-CG1 3.99Å; I841-V847 HydrophobicContact CG2-CG2 3.42Å; I841-V847 VanDerWaalsContact CG2-CG2 3.42Å; C844-V847 HydrophobicContact CB-CG2 4.44Å; V847-Y858 WeakPolarHBondContact O-CA 3.22Å; V847-D859 PolarHBondContact N-O 2.83Å; V847-D859 PolarHBondContact O-N 3.23Å; V847-P861 HydrophobicContact CG2-CB 4.26Å; V847-P861 HydrophobicContact CG2-CG 3.71Å; V847-L864 HydrophobicContact CB-CD1 4.32Å; V847-F872 HydrophobicContact CG1-CD2 4.18Å; V847-F872 HydrophobicContact CG1-CE2 3.91Å |
| 848 | I | 93.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.7 | 171.3 | -69.1 | 169 | 0 | 0 | 0 | 108.4 | F666 L674 G675 L676 V677 L850 L855 E857 Y858 | F666-I848 HydrophobicContact CB-CD1 3.76Å; F666-I848 HydrophobicContact CD1-CD1 3.86Å; F666-I848 HydrophobicContact CD2-CD1 3.54Å; F666-I848 HydrophobicContact CE1-CD1 4.33Å; F666-I848 HydrophobicContact CE2-CD1 4.05Å; F666-I848 HydrophobicContact CG-CD1 3.44Å; F666-I848 VanDerWaalsContact CG-CD1 3.44Å; F666-I848 HydrophobicContact CZ-CD1 4.41Å; L674-I848 HydrophobicContact CD1-CD1 4Å; L674-I848 HydrophobicContact CD1-CG1 4.01Å; L674-I848 HydrophobicContact CD2-CD1 3.76Å; L674-I848 HydrophobicContact CG-CD1 4.09Å; G675-I848 PolarHBondContact O-N 2.87Å; L676-I848 HydrophobicContact CD1-CB 3.99Å; L676-I848 HydrophobicContact CD1-CD1 4.45Å; L676-I848 HydrophobicContact CD1-CG2 3.73Å; V677-I848 WeakPolarHBondContact CG2-O 3.45Å; V677-I848 PolarHBondContact N-O 3.29Å; I848-L850 HydrophobicContact CG2-CD2 4.35Å; I848-L850 HydrophobicContact CG2-CG 4.3Å; I848-L855 HydrophobicContact CD1-CD1 4.25Å; I848-L855 HydrophobicContact CG1-CD1 4.17Å; I848-L855 HydrophobicContact CG2-CD1 3.64Å; I848-L855 HydrophobicContact CG2-CG 3.9Å; I848-E857 WeakPolarHBondContact CA-O 2.98Å; I848-Y858 HydrophobicContact CD1-CD2 4.28Å; I848-Y858 HydrophobicContact CD1-CE2 4.3Å; I848-Y858 HydrophobicContact CG1-CD2 3.49Å; I848-Y858 VanDerWaalsContact CG1-CD2 3.49Å; I848-Y858 HydrophobicContact CG1-CE2 3.94Å; I848-Y858 HydrophobicContact CG1-CG 4.22Å |
| 849 | V | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 118.2 | 170.9 | -173 | 0 | 0 | 0 | 0 | 109.3 | V677 V856 E857 M871 F872 L875 | V677-V849 HydrophobicContact CG2-CB 4.34Å; V677-V849 HydrophobicContact CG2-CG1 4.49Å; V677-V849 HydrophobicContact CG2-CG2 3.76Å; V677-V849 WeakPolarHBondContact O-CA 3.27Å; V849-V856 PolarHBondContact O-N 3.46Å; V849-E857 HydrophobicContact CB-CB 3.97Å; V849-E857 HydrophobicContact CB-CG 4.35Å; V849-E857 HydrophobicContact CG2-CB 3.88Å; V849-E857 HydrophobicContact CG2-CG 4.41Å; V849-E857 WeakPolarHBondContact CG2-OE2 3.37Å; V849-E857 PolarHBondContact N-O 2.77Å; V849-M871 HydrophobicContact CG1-CB 4.28Å; V849-M871 HydrophobicContact CG1-CG 4.12Å; V849-M871 HydrophobicContact CG1-SD 3.92Å; V849-F872 HydrophobicContact CG2-CB 3.85Å; V849-F872 HydrophobicContact CG2-CD2 4.16Å; V849-F872 HydrophobicContact CG2-CG 4.42Å; V849-L875 HydrophobicContact CG1-CD1 4.35Å |
| 850 | L | 89.8 | Confident | 89.5 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 134 | 172.5 | -70.7 | 178.2 | 0 | 0 | 0 | 111.2 | L676 V677 G678 A682 V687 I848 Q854 L855 | L676-L850 HydrophobicContact CD1-CD1 3.87Å; L676-L850 HydrophobicContact CD1-CG 4.13Å; L676-L850 HydrophobicContact CD2-CD1 3.91Å; L676-L850 HydrophobicContact CG-CD1 4.09Å; L676-L850 HydrophobicContact CG-CG 4.49Å; V677-L850 PolarHBondContact O-N 3.46Å; G678-L850 WeakPolarHBondContact CA-O 3.4Å; A682-L850 HydrophobicContact CB-CB 4.23Å; A682-L850 WeakPolarHBondContact CB-O 3.43Å; V687-L850 HydrophobicContact CG2-CD1 3.83Å; I848-L850 HydrophobicContact CG2-CD2 4.35Å; I848-L850 HydrophobicContact CG2-CG 4.3Å; L850-Q854 WeakPolarHBondContact CA-O 3.49Å; L850-Q854 WeakPolarHBondContact CD2-O 3.47Å; L850-L855 HydrophobicContact CD2-CB 4.26Å |
| 851 | H | 87.3 | Confident | 90.1 | Very high | 62 Ų | 62 | 33.7 Ų | 33.7 | 29% | 0.287 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 126.8 | 172 | -164.8 | 78.7 | 0 | 0 | 0 | 109.6 | G853 Q854 V856 M871 | H851-G853 PolarHBondContact O-N 3.43Å; H851-Q854 PolarHBondContact N-O 3.42Å; H851-Q854 PolarHBondContact O-N 3.4Å; H851-V856 HydrophobicContact CB-CG2 3.47Å; H851-V856 VanDerWaalsContact CB-CG2 3.47Å; H851-M871 HydrophobicContact CB-CE 3.99Å; H851-M871 HydrophobicContact CB-SD 3.81Å; H851-M871 PolarHBondContact ND1-SD 3.12Å |
| 852 | E | 83.6 | Confident | 90.3 | Very high | 123 Ų | 123 | 33.8 Ų | 33.8 | 58% | 0.575 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 37.3 | 178.6 | -60.6 | -168.4 | 161.9 | 0 | 0 | 114.6 | Q854 | E852-Q854 VanDerWaalsContact C-N 3.31Å; E852-Q854 PolarHBondContact O-N 3.49Å |
| 853 | G | 82.3 | Confident | 90.5 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 2.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | I660 L661 R662 V664 A682 H851 | I660-G853 WeakPolarHBondContact O-CA 3.24Å; L661-G853 WeakPolarHBondContact CA-O 3.15Å; R662-G853 PolarHBondContact N-O 3.03Å; V664-G853 WeakPolarHBondContact CG2-O 3.49Å; A682-G853 PolarHBondContact O-N 3.12Å; H851-G853 PolarHBondContact O-N 3.43Å |
| 854 | Q | 90.8 | Very high | 90.7 | Very high | 103 Ų | 103 | 35 Ų | 35 | 48% | 0.481 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 150 | 176.3 | -66.1 | -177.1 | -7.2 | 0 | 0 | 111 | R662 L850 H851 E852 | R662-Q854 HydrophobicContact CB-CG 4.01Å; L850-Q854 WeakPolarHBondContact CA-O 3.49Å; L850-Q854 WeakPolarHBondContact CD2-O 3.47Å; H851-Q854 PolarHBondContact N-O 3.42Å; H851-Q854 PolarHBondContact O-N 3.4Å; E852-Q854 VanDerWaalsContact C-N 3.31Å; E852-Q854 PolarHBondContact O-N 3.49Å |
| 855 | L | 91.7 | Very high | 90.7 | Very high | 50 Ų | 50 | 35.9 Ų | 35.9 | 26% | 0.262 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 116.4 | 170.6 | -178.7 | 154.3 | 0 | 0 | 0 | 108.6 | V664 F666 I848 L850 | V664-L855 HydrophobicContact CG1-CB 4.49Å; F666-L855 HydrophobicContact CB-CD1 3.99Å; F666-L855 HydrophobicContact CD1-CD1 4.34Å; I848-L855 HydrophobicContact CD1-CD1 4.25Å; I848-L855 HydrophobicContact CG1-CD1 4.17Å; I848-L855 HydrophobicContact CG2-CD1 3.64Å; I848-L855 HydrophobicContact CG2-CG 3.9Å; L850-L855 HydrophobicContact CD2-CB 4.26Å |
| 856 | V | 91.1 | Very high | 90.5 | Very high | 73 Ų | 73 | 41.8 Ų | 41.8 | 44% | 0.442 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -41.6 | -177.1 | -176 | 0 | 0 | 0 | 0 | 111.2 | V849 H851 | V849-V856 PolarHBondContact O-N 3.46Å; H851-V856 HydrophobicContact CB-CG2 3.47Å; H851-V856 VanDerWaalsContact CB-CG2 3.47Å |
| 857 | E | 91.8 | Very high | 90.2 | Very high | 26 Ų | 26 | 46.6 Ų | 46.6 | 12% | 0.121 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 146 | -176.9 | -51.6 | -174 | 134.5 | 0 | 0 | 111 | I848 V849 L864 S870 M871 F872 | I848-E857 WeakPolarHBondContact CA-O 2.98Å; V849-E857 HydrophobicContact CB-CB 3.97Å; V849-E857 HydrophobicContact CB-CG 4.35Å; V849-E857 HydrophobicContact CG2-CB 3.88Å; V849-E857 HydrophobicContact CG2-CG 4.41Å; V849-E857 WeakPolarHBondContact CG2-OE2 3.37Å; V849-E857 PolarHBondContact N-O 2.77Å; E857-L864 HydrophobicContact CB-CD2 4.06Å; E857-S870 WeakPolarHBondContact OE1-CA 2.74Å; E857-S870 WeakPolarHBondContact OE1-CB 3.42Å; E857-S870 PolarHBondContact OE1-OG 3.47Å; E857-S870 PolarHBondContact OE2-OG 3.14Å; E857-M871 PolarHBondContact OE1-N 2.9Å; E857-M871 PolarHBondContact OE2-N 3.42Å; E857-F872 WeakPolarHBondContact OE2-CB 3.5Å; E857-F872 PolarHBondContact OE2-N 3.41Å |
| 858 | Y | 92.8 | Very high | 89.2 | Confident | 64 Ų | 64 | 52.8 Ų | 52.8 | 25% | 0.251 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 97.3 | -180 | 175 | -139.7 | 0 | 0 | 0 | 111 | F666 T667 L674 R846 V847 I848 | F666-Y858 HydrophobicContact CB-CE1 4.39Å; T667-Y858 PolarHBondContact O-OH 3.48Å; L674-Y858 HydrophobicContact CD1-CD2 4.46Å; L674-Y858 HydrophobicContact CD1-CE2 3.81Å; R846-Y858 HydrophobicContact CB-CE2 4.08Å; R846-Y858 VanDerWaalsContact NH1-CZ 3.29Å; R846-Y858 PolarHBondContact NH1-OH 3.5Å; R846-Y858 PolarHBondContact NH2-OH 2.92Å; V847-Y858 WeakPolarHBondContact O-CA 3.22Å; I848-Y858 HydrophobicContact CD1-CD2 4.28Å; I848-Y858 HydrophobicContact CD1-CE2 4.3Å; I848-Y858 HydrophobicContact CG1-CD2 3.49Å; I848-Y858 VanDerWaalsContact CG1-CD2 3.49Å; I848-Y858 HydrophobicContact CG1-CE2 3.94Å; I848-Y858 HydrophobicContact CG1-CG 4.22Å |
| 859 | D | 92.2 | Very high | 88.7 | Confident | 45 Ų | 45 | 58.1 Ų | 58.1 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | -177.2 | 179.3 | -144.9 | -27 | 0 | 0 | 0 | 112 | R846 V847 L864 | R846-D859 CarbonylContact C-O 3.55Å; R846-D859 WeakPolarHBondContact CA-O 3.36Å; V847-D859 PolarHBondContact N-O 2.83Å; V847-D859 PolarHBondContact O-N 3.23Å; D859-L864 HydrophobicContact CB-CD2 3.71Å; D859-L864 HydrophobicContact CB-CG 3.94Å |
| 860 | E | 92.2 | Very high | 88.4 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | trans | -64.4 | 139.7 | 171.5 | -55.7 | -169.9 | -174.6 | 0 | 0 | 111.1 | D845 R846 A862 I863 L864 M895 | D845-E860 WeakPolarHBondContact O-CG 3.34Å; R846-E860 HydrophobicContact CG-CG 4.42Å; E860-A862 VanDerWaalsContact C-N 3.29Å; E860-A862 PolarHBondContact O-N 3.3Å; E860-A862 VanDerWaalsContact O-N 3.15Å; E860-I863 HydrophobicContact CB-CD1 4.07Å; E860-I863 HydrophobicContact CB-CG1 4.14Å; E860-I863 HydrophobicContact CG-CD1 4.21Å; E860-I863 PolarHBondContact O-N 3.43Å; E860-L864 PolarHBondContact O-N 3.49Å; E860-L864 VanDerWaalsContact O-N 3.15Å; E860-M895 HydrophobicContact CB-CE 4.06Å; E860-M895 WeakPolarHBondContact OE2-CE 3.21Å | ||
| 861 | P | 92.1 | Very high | 88.2 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -53 | -41.8 | -176.1 | -14.2 | 12.7 | 0 | 0 | 0 | 114.1 | M842 V847 I863 L864 L865 F872 A891 | M842-P861 HydrophobicContact CE-CB 4.45Å; V847-P861 HydrophobicContact CG2-CB 4.26Å; V847-P861 HydrophobicContact CG2-CG 3.71Å; P861-I863 VanDerWaalsContact C-N 3.32Å; P861-I863 PolarHBondContact O-N 3.03Å; P861-L864 PolarHBondContact O-N 3.04Å; P861-L865 WeakPolarHBondContact O-CB 3.33Å; P861-L865 VanDerWaalsContact O-CG 3.31Å; P861-L865 WeakPolarHBondContact O-CG 3.42Å; P861-L865 PolarHBondContact O-N 2.94Å; P861-F872 HydrophobicContact CB-CE1 4.08Å; P861-F872 HydrophobicContact CB-CZ 4.35Å; P861-A891 HydrophobicContact CB-CB 3.94Å |
| 862 | A | 90.9 | Very high | 88.2 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.6 | -24.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E860 R866 A891 E892 M895 | E860-A862 VanDerWaalsContact C-N 3.29Å; E860-A862 PolarHBondContact O-N 3.3Å; E860-A862 VanDerWaalsContact O-N 3.15Å; A862-R866 WeakPolarHBondContact O-CD 3.35Å; A862-R866 VanDerWaalsContact O-CG 3.3Å; A862-R866 WeakPolarHBondContact O-CG 3.34Å; A862-R866 PolarHBondContact O-N 3.18Å; A862-A891 HydrophobicContact CB-CB 4.14Å; A862-E892 HydrophobicContact CB-CG 4.33Å; A862-M895 HydrophobicContact CB-CB 4.32Å; A862-M895 HydrophobicContact CB-CE 3.57Å; A862-M895 HydrophobicContact CB-SD 4.09Å |
| 863 | I | 91.1 | Very high | 88.4 | Confident | 52 Ų | 52 | 52 Ų | 52 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -74.9 | -44.5 | 173.7 | -60.7 | 177.4 | 0 | 0 | 0 | 109.7 | E860 P861 L865 R866 R867 M895 | E860-I863 HydrophobicContact CB-CD1 4.07Å; E860-I863 HydrophobicContact CB-CG1 4.14Å; E860-I863 HydrophobicContact CG-CD1 4.21Å; E860-I863 PolarHBondContact O-N 3.43Å; P861-I863 VanDerWaalsContact C-N 3.32Å; P861-I863 PolarHBondContact O-N 3.03Å; I863-L865 VanDerWaalsContact C-N 3.33Å; I863-L865 PolarHBondContact O-N 3.34Å; I863-R866 PolarHBondContact O-N 2.92Å; I863-R867 PolarHBondContact O-N 3.5Å; I863-M895 HydrophobicContact CD1-CE 4.12Å; I863-M895 HydrophobicContact CG1-CE 3.51Å |
| 864 | L | 90.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 176.9 | -63.4 | 179.8 | 0 | 0 | 0 | 111.2 | V847 E857 D859 E860 P861 R866 R867 S870 F872 | V847-L864 HydrophobicContact CB-CD1 4.32Å; E857-L864 HydrophobicContact CB-CD2 4.06Å; D859-L864 HydrophobicContact CB-CD2 3.71Å; D859-L864 HydrophobicContact CB-CG 3.94Å; E860-L864 PolarHBondContact O-N 3.49Å; E860-L864 VanDerWaalsContact O-N 3.15Å; P861-L864 PolarHBondContact O-N 3.04Å; L864-R866 VanDerWaalsContact C-N 3.27Å; L864-R866 PolarHBondContact O-N 2.67Å; L864-R867 WeakPolarHBondContact O-CB 3.24Å; L864-R867 PolarHBondContact O-N 3.42Å; L864-R867 VanDerWaalsContact O-N 3.1Å; L864-S870 WeakPolarHBondContact O-CB 3.42Å; L864-S870 PolarHBondContact O-OG 3.42Å; L864-F872 HydrophobicContact CB-CB 4.04Å; L864-F872 HydrophobicContact CB-CD1 3.7Å; L864-F872 HydrophobicContact CB-CG 4.19Å; L864-F872 HydrophobicContact CD1-CB 4.14Å; L864-F872 HydrophobicContact CD1-CD1 4.22Å; L864-F872 HydrophobicContact CD1-CG 4.15Å |
| 865 | L | 89.8 | Confident | 88.2 | Confident | 19 Ų | 19 | 53.6 Ų | 53.6 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.2 | -23.4 | 179.2 | -75.1 | 168.3 | 0 | 0 | 0 | 115 | M842 P861 I863 R867 F872 A873 V876 R888 A891 | M842-L865 HydrophobicContact CE-CD1 3.48Å; M842-L865 VanDerWaalsContact CE-CD1 3.48Å; P861-L865 WeakPolarHBondContact O-CB 3.33Å; P861-L865 VanDerWaalsContact O-CG 3.31Å; P861-L865 WeakPolarHBondContact O-CG 3.42Å; P861-L865 PolarHBondContact O-N 2.94Å; I863-L865 VanDerWaalsContact C-N 3.33Å; I863-L865 PolarHBondContact O-N 3.34Å; L865-R867 VanDerWaalsContact C-N 3.34Å; L865-F872 HydrophobicContact CD1-CE1 4.14Å; L865-F872 HydrophobicContact CD2-CD1 4.07Å; L865-F872 HydrophobicContact CD2-CE1 4.13Å; L865-F872 HydrophobicContact CG-CD1 3.95Å; L865-F872 HydrophobicContact CG-CE1 3.83Å; L865-A873 HydrophobicContact CD2-CB 4.34Å; L865-V876 HydrophobicContact CD2-CB 3.85Å; L865-V876 HydrophobicContact CD2-CG1 3.99Å; L865-V876 HydrophobicContact CD2-CG2 3.73Å; L865-R888 HydrophobicContact CD1-CG 3.98Å; L865-R888 HydrophobicContact CD2-CG 4.4Å; L865-A891 HydrophobicContact CD1-CB 4.03Å |
| 866 | R | 87.8 | Confident | 87.9 | Confident | 166 Ų | 166 | 51.3 Ų | 51.3 | 63% | 0.626 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -79.2 | -20.3 | 175.6 | -73.9 | 172 | -175.4 | -170.2 | 0.5 | 112.7 | A862 I863 L864 S868 E892 | A862-R866 WeakPolarHBondContact O-CD 3.35Å; A862-R866 VanDerWaalsContact O-CG 3.3Å; A862-R866 WeakPolarHBondContact O-CG 3.34Å; A862-R866 PolarHBondContact O-N 3.18Å; I863-R866 PolarHBondContact O-N 2.92Å; L864-R866 VanDerWaalsContact C-N 3.27Å; L864-R866 PolarHBondContact O-N 2.67Å; R866-S868 PolarHBondContact O-N 3.14Å; R866-E892 IonicContact NE-OE1 3.09Å; R866-E892 IonicContact NH2-OE1 3.42Å; R866-E892 PolarHBondContact NH2-OE1 3.32Å |
| 867 | R | 87.4 | Confident | 87.5 | Confident | 140 Ų | 140 | 51 Ų | 51 | 53% | 0.528 | 27% | 0.265 | S | S | . | . | trans | -82.5 | 111.9 | 177.6 | -73.8 | 176.8 | 154.3 | 170.2 | -3.1 | 108.8 | I863 L864 L865 S869 S870 | I863-R867 PolarHBondContact O-N 3.5Å; L864-R867 WeakPolarHBondContact O-CB 3.24Å; L864-R867 PolarHBondContact O-N 3.42Å; L864-R867 VanDerWaalsContact O-N 3.1Å; L865-R867 VanDerWaalsContact C-N 3.34Å; R867-S869 PolarHBondContact O-N 3.4Å; R867-S870 WeakPolarHBondContact O-CB 3.42Å; R867-S870 PolarHBondContact O-N 3.42Å; R867-S870 VanDerWaalsContact O-N 3.07Å | ||
| 868 | S | 72.9 | Confident | 86.9 | Confident | 129 Ų | 129 | 52.5 Ų | 52.5 | 90% | 0.902 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -25.5 | 179.2 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | R866 S870 | R866-S868 PolarHBondContact O-N 3.14Å; S868-S870 VanDerWaalsContact C-N 3.3Å |
| 869 | S | 82.6 | Confident | 86 | Confident | 112 Ų | 112 | 51.3 Ų | 51.3 | 78% | 0.783 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 9.3 | 177.4 | 67.3 | 0 | 0 | 0 | 0 | 113.7 | R867 | R867-S869 PolarHBondContact O-N 3.4Š|
| 870 | S | 84.7 | Confident | 85.3 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | trans | -82.2 | 131.2 | -172.6 | 174.6 | 0 | 0 | 0 | 0 | 112.1 | E857 L864 R867 S868 F872 A873 E874 | E857-S870 WeakPolarHBondContact OE1-CA 2.74Å; E857-S870 WeakPolarHBondContact OE1-CB 3.42Å; E857-S870 PolarHBondContact OE1-OG 3.47Å; E857-S870 PolarHBondContact OE2-OG 3.14Å; L864-S870 WeakPolarHBondContact O-CB 3.42Å; L864-S870 PolarHBondContact O-OG 3.42Å; R867-S870 WeakPolarHBondContact O-CB 3.42Å; R867-S870 PolarHBondContact O-N 3.42Å; R867-S870 VanDerWaalsContact O-N 3.07Å; S868-S870 VanDerWaalsContact C-N 3.3Å; S870-F872 PolarHBondContact O-N 3.42Å; S870-F872 WeakPolarHBondContact OG-CB 3.47Å; S870-F872 PolarHBondContact OG-N 2.89Å; S870-A873 WeakPolarHBondContact O-CB 3.36Å; S870-A873 PolarHBondContact O-N 3.12Å; S870-A873 VanDerWaalsContact O-N 3.09Å; S870-A873 PolarHBondContact OG-N 3.14Å; S870-E874 PolarHBondContact O-N 3.24Å | ||
| 871 | M | 85.5 | Confident | 84.6 | Confident | 42 Ų | 42 | 53.6 Ų | 53.6 | 21% | 0.207 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.3 | -32.4 | 174.3 | -173.2 | 178.7 | -68.8 | 0 | 0 | 110.9 | V849 H851 E857 A873 E874 L875 | V849-M871 HydrophobicContact CG1-CB 4.28Å; V849-M871 HydrophobicContact CG1-CG 4.12Å; V849-M871 HydrophobicContact CG1-SD 3.92Å; H851-M871 HydrophobicContact CB-CE 3.99Å; H851-M871 HydrophobicContact CB-SD 3.81Å; H851-M871 PolarHBondContact ND1-SD 3.12Å; E857-M871 PolarHBondContact OE1-N 2.9Å; E857-M871 PolarHBondContact OE2-N 3.42Å; M871-A873 VanDerWaalsContact C-N 3.35Å; M871-E874 WeakPolarHBondContact O-CB 3.44Å; M871-E874 PolarHBondContact O-N 2.96Å; M871-L875 WeakPolarHBondContact O-CG 3.11Å; M871-L875 PolarHBondContact O-N 3.09Å |
| 872 | F | 88.6 | Confident | 84 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 169.9 | -171.5 | -113.6 | 0 | 0 | 0 | 112.5 | V677 L838 M842 V847 V849 E857 P861 L864 L865 S870 E874 L875 V876 | V677-F872 HydrophobicContact CG2-CD2 3.87Å; V677-F872 HydrophobicContact CG2-CE2 4.09Å; L838-F872 HydrophobicContact CD2-CE2 4.31Å; M842-F872 HydrophobicContact CE-CE1 4.36Å; M842-F872 HydrophobicContact CE-CZ 4.37Å; M842-F872 HydrophobicContact SD-CE1 4.41Å; M842-F872 HydrophobicContact SD-CZ 3.85Å; V847-F872 HydrophobicContact CG1-CD2 4.18Å; V847-F872 HydrophobicContact CG1-CE2 3.91Å; V849-F872 HydrophobicContact CG2-CB 3.85Å; V849-F872 HydrophobicContact CG2-CD2 4.16Å; V849-F872 HydrophobicContact CG2-CG 4.42Å; E857-F872 WeakPolarHBondContact OE2-CB 3.5Å; E857-F872 PolarHBondContact OE2-N 3.41Å; P861-F872 HydrophobicContact CB-CE1 4.08Å; P861-F872 HydrophobicContact CB-CZ 4.35Å; L864-F872 HydrophobicContact CB-CB 4.04Å; L864-F872 HydrophobicContact CB-CD1 3.7Å; L864-F872 HydrophobicContact CB-CG 4.19Å; L864-F872 HydrophobicContact CD1-CB 4.14Å; L864-F872 HydrophobicContact CD1-CD1 4.22Å; L864-F872 HydrophobicContact CD1-CG 4.15Å; L865-F872 HydrophobicContact CD1-CE1 4.14Å; L865-F872 HydrophobicContact CD2-CD1 4.07Å; L865-F872 HydrophobicContact CD2-CE1 4.13Å; L865-F872 HydrophobicContact CG-CD1 3.95Å; L865-F872 HydrophobicContact CG-CE1 3.83Å; S870-F872 PolarHBondContact O-N 3.42Å; S870-F872 WeakPolarHBondContact OG-CB 3.47Å; S870-F872 PolarHBondContact OG-N 2.89Å; F872-E874 VanDerWaalsContact C-N 3.31Å; F872-E874 PolarHBondContact O-N 3.08Å; F872-L875 PolarHBondContact O-N 2.7Å; F872-V876 HydrophobicContact CD1-CG2 4.46Å; F872-V876 HydrophobicContact CE1-CG2 4.15Å; F872-V876 HydrophobicContact CZ-CG2 4.21Å; F872-V876 WeakPolarHBondContact O-CG2 3.41Å; F872-V876 PolarHBondContact O-N 2.98Å |
| 873 | A | 86.8 | Confident | 83.3 | Confident | 14 Ų | 14 | 64.8 Ų | 64.8 | 12% | 0.116 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.6 | -36.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L865 S870 M871 V876 S877 | L865-A873 HydrophobicContact CD2-CB 4.34Å; S870-A873 WeakPolarHBondContact O-CB 3.36Å; S870-A873 PolarHBondContact O-N 3.12Å; S870-A873 VanDerWaalsContact O-N 3.09Å; S870-A873 PolarHBondContact OG-N 3.14Å; M871-A873 VanDerWaalsContact C-N 3.35Å; A873-V876 PolarHBondContact O-N 2.95Å; A873-S877 WeakPolarHBondContact O-CB 3.4Å; A873-S877 PolarHBondContact O-N 3.5Å |
| 874 | E | 85.4 | Confident | 82.9 | Confident | 111 Ų | 111 | 62.6 Ų | 62.6 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -51.3 | 172.2 | -171.2 | 178.4 | -171.6 | 0 | 0 | 111 | S870 M871 F872 V876 S877 E878 | S870-E874 PolarHBondContact O-N 3.24Å; M871-E874 WeakPolarHBondContact O-CB 3.44Å; M871-E874 PolarHBondContact O-N 2.96Å; F872-E874 VanDerWaalsContact C-N 3.31Å; F872-E874 PolarHBondContact O-N 3.08Å; E874-V876 VanDerWaalsContact C-N 3.26Å; E874-V876 PolarHBondContact O-N 3.25Å; E874-S877 WeakPolarHBondContact CA-OG 3.46Å; E874-S877 WeakPolarHBondContact O-CA 3.41Å; E874-S877 WeakPolarHBondContact O-CB 3.04Å; E874-S877 PolarHBondContact O-N 2.92Å; E874-S877 PolarHBondContact O-OG 2.77Å; E874-E878 WeakPolarHBondContact O-CG 2.83Å; E874-E878 PolarHBondContact O-N 3.49Å |
| 875 | L | 83.6 | Confident | 82.7 | Confident | 26 Ų | 26 | 66.2 Ų | 66.2 | 14% | 0.136 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.9 | -38.2 | 176.1 | -71.5 | 171.5 | 0 | 0 | 0 | 112.6 | V677 R679 L838 V849 M871 F872 | V677-L875 HydrophobicContact CG2-CD1 4.45Å; R679-L875 HydrophobicContact CG-CD2 4.31Å; L838-L875 HydrophobicContact CD1-CB 4.4Å; L838-L875 WeakPolarHBondContact CD1-O 3.4Å; V849-L875 HydrophobicContact CG1-CD1 4.35Å; M871-L875 WeakPolarHBondContact O-CG 3.11Å; M871-L875 PolarHBondContact O-N 3.09Å; F872-L875 PolarHBondContact O-N 2.7Å |
| 876 | V | 85.9 | Confident | 82.5 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69 | -40.6 | 175.1 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L838 L865 F872 A873 E874 E878 T879 A884 L887 | L838-V876 HydrophobicContact CD1-CB 4.35Å; L838-V876 HydrophobicContact CD1-CG2 3.75Å; L865-V876 HydrophobicContact CD2-CB 3.85Å; L865-V876 HydrophobicContact CD2-CG1 3.99Å; L865-V876 HydrophobicContact CD2-CG2 3.73Å; F872-V876 HydrophobicContact CD1-CG2 4.46Å; F872-V876 HydrophobicContact CE1-CG2 4.15Å; F872-V876 HydrophobicContact CZ-CG2 4.21Å; F872-V876 WeakPolarHBondContact O-CG2 3.41Å; F872-V876 PolarHBondContact O-N 2.98Å; A873-V876 PolarHBondContact O-N 2.95Å; E874-V876 VanDerWaalsContact C-N 3.26Å; E874-V876 PolarHBondContact O-N 3.25Å; V876-E878 VanDerWaalsContact C-N 3.26Å; V876-E878 PolarHBondContact O-N 2.75Å; V876-T879 WeakPolarHBondContact O-CB 3.49Å; V876-T879 PolarHBondContact O-N 3.4Å; V876-T879 VanDerWaalsContact O-N 3.09Å; V876-T879 PolarHBondContact O-OG1 3.01Å; V876-A884 HydrophobicContact CG1-CB 3.8Å; V876-L887 HydrophobicContact CG1-CB 4.26Å; V876-L887 HydrophobicContact CG1-CD1 4.09Å |
| 877 | S | 83.1 | Confident | 82.5 | Confident | 68 Ų | 68 | 61.5 Ų | 61.5 | 48% | 0.476 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.8 | -30.3 | 177.8 | 74.6 | 0 | 0 | 0 | 0 | 113.3 | A873 E874 T879 G880 | A873-S877 WeakPolarHBondContact O-CB 3.4Å; A873-S877 PolarHBondContact O-N 3.5Å; E874-S877 WeakPolarHBondContact CA-OG 3.46Å; E874-S877 WeakPolarHBondContact O-CA 3.41Å; E874-S877 WeakPolarHBondContact O-CB 3.04Å; E874-S877 PolarHBondContact O-N 2.92Å; E874-S877 PolarHBondContact O-OG 2.77Å; S877-T879 PolarHBondContact O-N 3.17Å; S877-G880 PolarHBondContact O-N 3.38Å |
| 878 | E | 78.3 | Confident | 82.6 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -15.5 | 174.2 | -70.4 | -179.3 | 164.6 | 0 | 0 | 113.1 | T303 E874 V876 G880 | T303-E878 WeakPolarHBondContact CB-O 3.47Å; T303-E878 WeakPolarHBondContact CG2-O 3.35Å; E874-E878 WeakPolarHBondContact O-CG 2.83Å; E874-E878 PolarHBondContact O-N 3.49Å; V876-E878 VanDerWaalsContact C-N 3.26Å; V876-E878 PolarHBondContact O-N 2.75Å; E878-G880 VanDerWaalsContact C-N 3.26Å; E878-G880 PolarHBondContact O-N 3.29Å |
| 879 | T | 74.5 | Confident | 83.4 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 24% | 0.239 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -3.9 | 176.4 | 68 | 0 | 0 | 0 | 0 | 114.3 | L838 V876 S877 N883 L887 | L838-T879 HydrophobicContact CD1-CG2 3.75Å; V876-T879 WeakPolarHBondContact O-CB 3.49Å; V876-T879 PolarHBondContact O-N 3.4Å; V876-T879 VanDerWaalsContact O-N 3.09Å; V876-T879 PolarHBondContact O-OG1 3.01Å; S877-T879 PolarHBondContact O-N 3.17Å; T879-N883 PolarHBondContact O-ND2 3.02Å; T879-L887 HydrophobicContact CG2-CD1 4.41Å |
| 880 | G | 76.9 | Confident | 83.6 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 35% | 0.351 | 30% | 0.303 | S | S | . | . | trans | 98.7 | 152.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S877 E878 E882 N883 A884 | S877-G880 PolarHBondContact O-N 3.38Å; E878-G880 VanDerWaalsContact C-N 3.26Å; E878-G880 PolarHBondContact O-N 3.29Å; G880-E882 PolarHBondContact O-N 3.26Å; G880-N883 PolarHBondContact O-N 2.98Å; G880-A884 WeakPolarHBondContact O-CB 3.32Å; G880-A884 PolarHBondContact O-N 3.05Å | ||
| 881 | S | 78.6 | Confident | 83.8 | Confident | 104 Ų | 104 | 57.5 Ų | 57.5 | 73% | 0.727 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.3 | -42.2 | -172.5 | 50.4 | 0 | 0 | 0 | 0 | 113.5 | E885 | S881-E885 PolarHBondContact O-N 3.47Å; S881-E885 VanDerWaalsContact O-N 3.16Å |
| 882 | E | 78.2 | Confident | 84 | Confident | 164 Ų | 164 | 59.8 Ų | 59.8 | 77% | 0.766 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.6 | -48.2 | 179.6 | -64.1 | -172.4 | 164.1 | 0 | 0 | 111.7 | G880 A884 E885 V886 | G880-E882 PolarHBondContact O-N 3.26Å; E882-A884 VanDerWaalsContact C-N 3.34Å; E882-A884 PolarHBondContact O-N 2.82Å; E882-E885 PolarHBondContact O-N 3.15Å; E882-V886 WeakPolarHBondContact O-CG2 3.49Å; E882-V886 PolarHBondContact O-N 3.17Å |
| 883 | N | 76.9 | Confident | 84 | Confident | 78 Ų | 78 | 65.2 Ų | 65.2 | 42% | 0.417 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 176.5 | -76 | -29.7 | 0 | 0 | 0 | 111.8 | T879 G880 E885 V886 L887 | T879-N883 PolarHBondContact O-ND2 3.02Å; G880-N883 PolarHBondContact O-N 2.98Å; N883-E885 VanDerWaalsContact C-N 3.28Å; N883-E885 PolarHBondContact O-N 3.42Å; N883-V886 PolarHBondContact O-N 2.88Å; N883-L887 WeakPolarHBondContact O-CB 3.45Å; N883-L887 WeakPolarHBondContact O-CG 3.16Å; N883-L887 PolarHBondContact O-N 3.11Å |
| 884 | A | 82.7 | Confident | 84 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 5% | 0.05 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.7 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | V876 G880 E882 L887 R888 | V876-A884 HydrophobicContact CG1-CB 3.8Å; G880-A884 WeakPolarHBondContact O-CB 3.32Å; G880-A884 PolarHBondContact O-N 3.05Å; E882-A884 VanDerWaalsContact C-N 3.34Å; E882-A884 PolarHBondContact O-N 2.82Å; A884-L887 PolarHBondContact O-N 3.33Å; A884-R888 WeakPolarHBondContact O-CB 3.36Å; A884-R888 VanDerWaalsContact O-CG 3.28Å; A884-R888 WeakPolarHBondContact O-CG 3.27Å; A884-R888 PolarHBondContact O-N 3.26Å |
| 885 | E | 85.9 | Confident | 84 | Confident | 77 Ų | 77 | 60.3 Ų | 60.3 | 36% | 0.36 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 176.6 | -179.4 | 59 | -162.4 | 0 | 0 | 112 | S881 E882 N883 R888 R889 | S881-E885 PolarHBondContact O-N 3.47Å; S881-E885 VanDerWaalsContact O-N 3.16Å; E882-E885 PolarHBondContact O-N 3.15Å; N883-E885 VanDerWaalsContact C-N 3.28Å; N883-E885 PolarHBondContact O-N 3.42Å; E885-R888 PolarHBondContact O-N 3Å; E885-R889 WeakPolarHBondContact O-CG 3.29Å; E885-R889 PolarHBondContact O-N 2.93Å; E885-R889 VanDerWaalsContact O-N 3.08Å; E885-R889 IonicContact OE1-CZ 3.6Å; E885-R889 IonicContact OE1-NE 3.1Å; E885-R889 PolarHBondContact OE1-NE 3.04Å; E885-R889 VanDerWaalsContact OE1-NE 3.1Å; E885-R889 IonicContact OE1-NH2 3.2Å; E885-R889 PolarHBondContact OE1-NH2 3.01Å |
| 886 | V | 86.9 | Confident | 84.2 | Confident | 74 Ų | 74 | 61.9 Ų | 61.9 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 174 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | E882 N883 R888 R889 I890 | E882-V886 WeakPolarHBondContact O-CG2 3.49Å; E882-V886 PolarHBondContact O-N 3.17Å; N883-V886 PolarHBondContact O-N 2.88Å; V886-R888 VanDerWaalsContact C-N 3.34Å; V886-R888 PolarHBondContact O-N 3.34Å; V886-R889 PolarHBondContact O-N 3.44Å; V886-I890 HydrophobicContact CG1-CD1 4.03Å; V886-I890 WeakPolarHBondContact O-CG1 3.43Å; V886-I890 PolarHBondContact O-N 3.31Å |
| 887 | L | 87.5 | Confident | 84 | Confident | 12 Ų | 12 | 65 Ų | 65 | 6% | 0.063 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 178.8 | -67.7 | 171.5 | 0 | 0 | 0 | 111.4 | L838 N839 M842 V876 T879 N883 A884 R889 I890 A891 | L838-L887 HydrophobicContact CB-CD1 4.11Å; N839-L887 HydrophobicContact CB-CD2 3.94Å; M842-L887 HydrophobicContact CE-CB 3.94Å; M842-L887 WeakPolarHBondContact CE-O 3.48Å; M842-L887 HydrophobicContact CG-CB 4.12Å; M842-L887 HydrophobicContact CG-CD2 3.5Å; M842-L887 HydrophobicContact CG-CG 4.37Å; M842-L887 HydrophobicContact SD-CB 4.23Å; M842-L887 HydrophobicContact SD-CD2 4.31Å; V876-L887 HydrophobicContact CG1-CB 4.26Å; V876-L887 HydrophobicContact CG1-CD1 4.09Å; T879-L887 HydrophobicContact CG2-CD1 4.41Å; N883-L887 WeakPolarHBondContact O-CB 3.45Å; N883-L887 WeakPolarHBondContact O-CG 3.16Å; N883-L887 PolarHBondContact O-N 3.11Å; A884-L887 PolarHBondContact O-N 3.33Å; L887-R889 PolarHBondContact O-N 3.27Å; L887-I890 PolarHBondContact O-N 2.8Å; L887-A891 PolarHBondContact O-N 3.2Å |
| 888 | R | 89 | Confident | 83.9 | Confident | 105 Ų | 105 | 63.8 Ų | 63.8 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.3 | -47.7 | 173.8 | -79.2 | 172.5 | -176.7 | 174.5 | 2.8 | 111.8 | L865 A884 E885 V886 I890 A891 E892 | L865-R888 HydrophobicContact CD1-CG 3.98Å; L865-R888 HydrophobicContact CD2-CG 4.4Å; A884-R888 WeakPolarHBondContact O-CB 3.36Å; A884-R888 VanDerWaalsContact O-CG 3.28Å; A884-R888 WeakPolarHBondContact O-CG 3.27Å; A884-R888 PolarHBondContact O-N 3.26Å; E885-R888 PolarHBondContact O-N 3Å; V886-R888 VanDerWaalsContact C-N 3.34Å; V886-R888 PolarHBondContact O-N 3.34Å; R888-I890 VanDerWaalsContact C-N 3.32Å; R888-I890 PolarHBondContact O-N 3.3Å; R888-A891 PolarHBondContact O-N 3.11Å; R888-E892 WeakPolarHBondContact O-CG 3.28Å; R888-E892 PolarHBondContact O-N 3.46Å |
| 889 | R | 89.3 | Confident | 84 | Confident | 141 Ų | 141 | 68.2 Ų | 68.2 | 53% | 0.532 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 177.5 | -69.6 | 175.1 | -170.2 | -178.9 | 3.6 | 112.3 | E885 V886 L887 E892 N893 | E885-R889 WeakPolarHBondContact O-CG 3.29Å; E885-R889 PolarHBondContact O-N 2.93Å; E885-R889 VanDerWaalsContact O-N 3.08Å; E885-R889 IonicContact OE1-CZ 3.6Å; E885-R889 IonicContact OE1-NE 3.1Å; E885-R889 PolarHBondContact OE1-NE 3.04Å; E885-R889 VanDerWaalsContact OE1-NE 3.1Å; E885-R889 IonicContact OE1-NH2 3.2Å; E885-R889 PolarHBondContact OE1-NH2 3.01Å; V886-R889 PolarHBondContact O-N 3.44Å; L887-R889 PolarHBondContact O-N 3.27Å; R889-E892 PolarHBondContact O-N 3.11Å; R889-N893 VanDerWaalsContact O-CB 3.3Å; R889-N893 WeakPolarHBondContact O-CB 3.4Å; R889-N893 PolarHBondContact O-N 3.41Å; R889-N893 PolarHBondContact O-ND2 2.89Å |
| 890 | I | 87.7 | Confident | 84 | Confident | 52 Ų | 52 | 69.2 Ų | 69.2 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 177.3 | -65 | 168.1 | 0 | 0 | 0 | 110.5 | N839 M842 V886 L887 R888 N893 A894 | N839-I890 WeakPolarHBondContact OD1-CD1 3.22Å; M842-I890 HydrophobicContact CB-CB 4.15Å; M842-I890 HydrophobicContact CB-CG2 3.64Å; V886-I890 HydrophobicContact CG1-CD1 4.03Å; V886-I890 WeakPolarHBondContact O-CG1 3.43Å; V886-I890 PolarHBondContact O-N 3.31Å; L887-I890 PolarHBondContact O-N 2.8Å; R888-I890 VanDerWaalsContact C-N 3.32Å; R888-I890 PolarHBondContact O-N 3.3Å; I890-N893 PolarHBondContact O-N 3.07Å; I890-A894 WeakPolarHBondContact O-CB 3.24Å; I890-A894 PolarHBondContact O-N 3.19Å |
| 891 | A | 88.5 | Confident | 83.5 | Confident | 2 Ų | 2 | 70.6 Ų | 70.6 | 2% | 0.017 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M842 P861 A862 L865 L887 R888 A894 M895 | M842-A891 HydrophobicContact CE-CB 3.52Å; P861-A891 HydrophobicContact CB-CB 3.94Å; A862-A891 HydrophobicContact CB-CB 4.14Å; L865-A891 HydrophobicContact CD1-CB 4.03Å; L887-A891 PolarHBondContact O-N 3.2Å; R888-A891 PolarHBondContact O-N 3.11Å; A891-A894 PolarHBondContact O-N 3.48Å; A891-M895 PolarHBondContact O-N 3.48Å |
| 892 | E | 89.2 | Confident | 82.8 | Confident | 91 Ų | 91 | 71.9 Ų | 71.9 | 43% | 0.425 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 178.2 | -70.4 | -166.9 | 141.3 | 0 | 0 | 112.1 | A862 R866 R888 R889 M895 A896 | A862-E892 HydrophobicContact CB-CG 4.33Å; R866-E892 IonicContact NE-OE1 3.09Å; R866-E892 IonicContact NH2-OE1 3.42Å; R866-E892 PolarHBondContact NH2-OE1 3.32Å; R888-E892 WeakPolarHBondContact O-CG 3.28Å; R888-E892 PolarHBondContact O-N 3.46Å; R889-E892 PolarHBondContact O-N 3.11Å; E892-M895 PolarHBondContact O-N 2.81Å; E892-A896 WeakPolarHBondContact O-CB 3.47Å; E892-A896 PolarHBondContact O-N 3.07Å |
| 893 | N | 89.6 | Confident | 81.5 | Confident | 114 Ų | 114 | 67 Ų | 67 | 61% | 0.61 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 174.8 | -72.2 | -20.5 | 0 | 0 | 0 | 111.6 | R889 I890 A896 S897 | R889-N893 VanDerWaalsContact O-CB 3.3Å; R889-N893 WeakPolarHBondContact O-CB 3.4Å; R889-N893 PolarHBondContact O-N 3.41Å; R889-N893 PolarHBondContact O-ND2 2.89Å; I890-N893 PolarHBondContact O-N 3.07Å; N893-A896 PolarHBondContact O-N 2.99Å; N893-S897 WeakPolarHBondContact O-CB 3.14Å; N893-S897 PolarHBondContact O-N 3.37Å; N893-S897 PolarHBondContact O-OG 3.25Å |
| 894 | A | 85.6 | Confident | 80.3 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 11% | 0.107 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I890 A891 A896 S897 R898 | I890-A894 WeakPolarHBondContact O-CB 3.24Å; I890-A894 PolarHBondContact O-N 3.19Å; A891-A894 PolarHBondContact O-N 3.48Å; A894-A896 PolarHBondContact O-N 3.11Å; A894-S897 PolarHBondContact O-N 3.23Å; A894-S897 PolarHBondContact O-OG 2.89Å; A894-R898 WeakPolarHBondContact O-CG 3.37Å; A894-R898 PolarHBondContact O-N 3.05Å |
| 895 | M | 86.5 | Confident | 78.8 | Confident | 9 Ų | 9 | 76.4 Ų | 76.4 | 4% | 0.044 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 176.3 | -178.5 | -171.7 | -86 | 0 | 0 | 112.2 | E860 A862 I863 A891 E892 S897 R898 R899 | E860-M895 HydrophobicContact CB-CE 4.06Å; E860-M895 WeakPolarHBondContact OE2-CE 3.21Å; A862-M895 HydrophobicContact CB-CB 4.32Å; A862-M895 HydrophobicContact CB-CE 3.57Å; A862-M895 HydrophobicContact CB-SD 4.09Å; I863-M895 HydrophobicContact CD1-CE 4.12Å; I863-M895 HydrophobicContact CG1-CE 3.51Å; A891-M895 PolarHBondContact O-N 3.48Å; E892-M895 PolarHBondContact O-N 2.81Å; M895-S897 PolarHBondContact O-N 3.46Å; M895-R898 PolarHBondContact O-N 3.23Å; M895-R899 WeakPolarHBondContact O-CG 3.43Å; M895-R899 PolarHBondContact O-N 3.31Å; M895-R899 VanDerWaalsContact O-N 3.08Å |
| 896 | A | 86.4 | Confident | 77 | Confident | 59 Ų | 59 | 78.3 Ų | 78.3 | 49% | 0.488 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E892 N893 A894 R898 R899 S900 | E892-A896 WeakPolarHBondContact O-CB 3.47Å; E892-A896 PolarHBondContact O-N 3.07Å; N893-A896 PolarHBondContact O-N 2.99Å; A894-A896 PolarHBondContact O-N 3.11Å; A896-R898 VanDerWaalsContact C-N 3.33Å; A896-R898 PolarHBondContact O-N 3Å; A896-R899 PolarHBondContact O-N 3.08Å; A896-S900 PolarHBondContact O-N 3.06Å |
| 897 | S | 82.7 | Confident | 75.3 | Confident | 65 Ų | 65 | 81.3 Ų | 81.3 | 46% | 0.455 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 177.8 | 74.9 | 0 | 0 | 0 | 0 | 112 | N893 A894 M895 S900 S901 | N893-S897 WeakPolarHBondContact O-CB 3.14Å; N893-S897 PolarHBondContact O-N 3.37Å; N893-S897 PolarHBondContact O-OG 3.25Å; A894-S897 PolarHBondContact O-N 3.23Å; A894-S897 PolarHBondContact O-OG 2.89Å; M895-S897 PolarHBondContact O-N 3.46Å; S897-S900 PolarHBondContact O-N 3.1Å; S897-S900 PolarHBondContact O-OG 2.94Å; S897-S901 PolarHBondContact O-N 3.37Å; S897-S901 VanDerWaalsContact O-N 3.07Å; S897-S901 PolarHBondContact O-OG 2.85Å |
| 898 | R | 80.2 | Confident | 73.4 | Confident | 43 Ų | 43 | 87.8 Ų | 87.8 | 16% | 0.162 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -69.7 | -36.7 | 178.5 | -67.2 | 177.4 | -161.8 | 138.7 | 8.1 | 113.6 | D843 C844 D845 A894 M895 A896 S900 S901 K902 | D843-R898 PolarHBondContact O-NH2 3Å; C844-R898 VanDerWaalsContact O-CZ 3.28Å; C844-R898 PolarHBondContact O-NH1 3.31Å; C844-R898 PolarHBondContact O-NH2 3.37Å; D845-R898 VanDerWaalsContact CA-CZ 3.49Å; D845-R898 VanDerWaalsContact CA-NH1 3.33Å; D845-R898 PolarHBondContact O-NH1 3.03Å; D845-R898 WeakPolarHBondContact OD1-CD 3.16Å; D845-R898 IonicContact OD1-CZ 2.95Å; D845-R898 IonicContact OD1-NE 3.32Å; D845-R898 PolarHBondContact OD1-NE 3.39Å; D845-R898 IonicContact OD1-NH1 2.75Å; D845-R898 IonicContact OD1-NH2 3.7Å; A894-R898 WeakPolarHBondContact O-CG 3.37Å; A894-R898 PolarHBondContact O-N 3.05Å; M895-R898 PolarHBondContact O-N 3.23Å; A896-R898 VanDerWaalsContact C-N 3.33Å; A896-R898 PolarHBondContact O-N 3Å; R898-S900 VanDerWaalsContact C-N 3.34Å; R898-S901 WeakPolarHBondContact CA-OG 3.14Å; R898-S901 PolarHBondContact O-N 2.82Å; R898-S901 PolarHBondContact O-OG 3.36Å; R898-K902 WeakPolarHBondContact O-CG 3.46Å; R898-K902 PolarHBondContact O-N 2.75Å |
| 899 | R | 81 | Confident | 71.2 | Confident | 150 Ų | 150 | 85.9 Ų | 85.9 | 57% | 0.566 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.8 | -39.4 | 175.6 | -72.6 | -178.2 | -178.7 | -169.7 | -0.2 | 111 | M895 A896 S901 K902 S903 | M895-R899 WeakPolarHBondContact O-CG 3.43Å; M895-R899 PolarHBondContact O-N 3.31Å; M895-R899 VanDerWaalsContact O-N 3.08Å; A896-R899 PolarHBondContact O-N 3.08Å; R899-S901 VanDerWaalsContact C-N 3.35Å; R899-S901 PolarHBondContact O-N 3.41Å; R899-K902 PolarHBondContact O-N 2.99Å; R899-S903 PolarHBondContact O-N 3.28Å |
| 900 | S | 74 | Confident | 68.6 | Low | 61 Ų | 61 | 88.4 Ų | 88.4 | 43% | 0.427 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.5 | -33.3 | 175.2 | 78.2 | 0 | 0 | 0 | 0 | 113.4 | A896 S897 R898 S903 R904 | A896-S900 PolarHBondContact O-N 3.06Å; S897-S900 PolarHBondContact O-N 3.1Å; S897-S900 PolarHBondContact O-OG 2.94Å; R898-S900 VanDerWaalsContact C-N 3.34Å; S900-S903 PolarHBondContact O-OG 3.09Å; S900-S903 VanDerWaalsContact O-OG 3.13Å; S900-R904 WeakPolarHBondContact O-CG 3.36Å; S900-R904 PolarHBondContact O-N 3.42Å |
| 901 | S | 68.1 | Low | 67.7 | Low | 63 Ų | 63 | 90.2 Ų | 90.2 | 44% | 0.441 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -73.5 | -36.2 | 175.1 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | S897 R898 R899 T905 | S897-S901 PolarHBondContact O-N 3.37Å; S897-S901 VanDerWaalsContact O-N 3.07Å; S897-S901 PolarHBondContact O-OG 2.85Å; R898-S901 WeakPolarHBondContact CA-OG 3.14Å; R898-S901 PolarHBondContact O-N 2.82Å; R898-S901 PolarHBondContact O-OG 3.36Å; R899-S901 VanDerWaalsContact C-N 3.35Å; R899-S901 PolarHBondContact O-N 3.41Å; S901-T905 PolarHBondContact O-N 2.86Å; S901-T905 PolarHBondContact O-OG1 2.83Å |
| 902 | K | 62.3 | Low | 66.6 | Low | 131 Ų | 131 | 94.8 Ų | 94.8 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.2 | -41.5 | 175.7 | -77.9 | 180 | 179.4 | 175.2 | 0 | 112.3 | R898 R899 R904 T905 D906 | R898-K902 WeakPolarHBondContact O-CG 3.46Å; R898-K902 PolarHBondContact O-N 2.75Å; R899-K902 PolarHBondContact O-N 2.99Å; K902-R904 VanDerWaalsContact C-N 3.31Å; K902-R904 PolarHBondContact O-N 3.17Å; K902-T905 WeakPolarHBondContact CA-OG1 3.48Å; K902-T905 PolarHBondContact O-N 3.49Å; K902-T905 PolarHBondContact O-OG1 3.28Å; K902-D906 PolarHBondContact O-N 3.29Å; K902-D906 VanDerWaalsContact O-N 3.11Å |
| 903 | S | 52.5 | Low | 65.3 | Low | 60 Ų | 60 | 95.1 Ų | 95.1 | 42% | 0.42 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65 | -35.7 | 177.9 | 69.1 | 0 | 0 | 0 | 0 | 112.4 | R899 S900 T905 D906 D907 | R899-S903 PolarHBondContact O-N 3.28Å; S900-S903 PolarHBondContact O-OG 3.09Å; S900-S903 VanDerWaalsContact O-OG 3.13Å; S903-T905 VanDerWaalsContact C-N 3.34Å; S903-T905 PolarHBondContact O-N 3.29Å; S903-D906 PolarHBondContact O-N 3.39Å; S903-D907 PolarHBondContact O-N 3.23Å; S903-D907 VanDerWaalsContact O-N 3.11Å |
| 904 | R | 50.2 | Low | 63.9 | Low | 187 Ų | 187 | 93.9 Ų | 93.9 | 71% | 0.706 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.3 | -25.9 | 176 | -77.3 | -178.3 | 176.6 | 175.7 | 0.6 | 114.2 | S900 K902 N908 | S900-R904 WeakPolarHBondContact O-CG 3.36Å; S900-R904 PolarHBondContact O-N 3.42Å; K902-R904 VanDerWaalsContact C-N 3.31Å; K902-R904 PolarHBondContact O-N 3.17Å; R904-N908 PolarHBondContact O-ND2 3.17Å |
| 905 | T | 52.5 | Low | 62.5 | Low | 95 Ų | 95 | 99 Ų | 99 | 58% | 0.583 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -80 | -32.8 | 174.2 | 44.3 | 0 | 0 | 0 | 0 | 111.9 | S901 K902 S903 | S901-T905 PolarHBondContact O-N 2.86Å; S901-T905 PolarHBondContact O-OG1 2.83Å; K902-T905 WeakPolarHBondContact CA-OG1 3.48Å; K902-T905 PolarHBondContact O-N 3.49Å; K902-T905 PolarHBondContact O-OG1 3.28Å; S903-T905 VanDerWaalsContact C-N 3.34Å; S903-T905 PolarHBondContact O-N 3.29Å |
| 906 | D | 47.5 | Very low | 60.9 | Low | 118 Ų | 118 | 105 Ų | 105 | 63% | 0.631 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -75.5 | -34.1 | 179.3 | -65.4 | -16.7 | 0 | 0 | 0 | 112 | K902 S903 N908 G909 | K902-D906 PolarHBondContact O-N 3.29Å; K902-D906 VanDerWaalsContact O-N 3.11Å; S903-D906 PolarHBondContact O-N 3.39Å; D906-N908 VanDerWaalsContact C-N 3.31Å; D906-N908 PolarHBondContact O-N 2.89Å; D906-G909 PolarHBondContact O-N 3.24Å |
| 907 | D | 50.5 | Low | 59.1 | Low | 137 Ų | 137 | 108.3 Ų | 108.3 | 73% | 0.733 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -15.4 | 177.2 | -80.3 | -21.9 | 0 | 0 | 0 | 114.5 | S903 | S903-D907 PolarHBondContact O-N 3.23Å; S903-D907 VanDerWaalsContact O-N 3.11Å |
| 908 | N | 48.5 | Very low | 57.3 | Low | 148 Ų | 148 | 111.6 Ų | 111.6 | 79% | 0.791 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 5.9 | 176.9 | -75.3 | -48.1 | 0 | 0 | 0 | 113.3 | R904 D906 | R904-N908 PolarHBondContact O-ND2 3.17Å; D906-N908 VanDerWaalsContact C-N 3.31Å; D906-N908 PolarHBondContact O-N 2.89Å |
| 909 | G | 43 | Very low | 55.4 | Low | 65 Ų | 65 | 117.3 Ų | 117.3 | 67% | 0.67 | 65% | 0.653 | S | S | * | * | trans | -110.1 | 6.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | D906 | D906-G909 PolarHBondContact O-N 3.24Š| ||
| 910 | C | 34.6 | Very low | 53.1 | Low | 193 Ų | 193 | 114.4 Ų | 114.4 | 100% | 1.304 | 66% | 0.661 | S | S | * | * | trans | -109.6 | 0 | 173.3 | -89.4 | 0 | 0 | 0 | 0 | 111.8 |
Retrieved 910 of 910 residues in 456.5 ms
(Link to these results)