| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.3 | Very low | 80.4 | Confident | 238 Ų | 238 | 82.3 Ų | 82.3 | 100% | 1.172 | 42% | 0.423 | S | S | * | . | 0 | 145.1 | 0 | -63.9 | 174 | -179.5 | 0 | 0 | 108.9 | |||||
| 2 | N | 53.6 | Low | 81.7 | Confident | 98 Ų | 98 | 76.7 Ų | 76.7 | 52% | 0.524 | 40% | 0.396 | S | S | . | . | trans | -71.4 | 138.3 | 171.7 | -64.8 | -10.8 | 0 | 0 | 0 | 108.9 | G4 | N2-G4 PolarHBondContact O-N 3.28Š| ||
| 3 | K | 63.3 | Low | 82.9 | Confident | 197 Ų | 197 | 70.8 Ų | 70.8 | 86% | 0.857 | 37% | 0.365 | S | S | * | . | trans | -77 | 41.9 | -179 | -66 | -168.6 | 174 | -170 | 0 | 113.1 | ||||
| 4 | G | 85.2 | Confident | 83.9 | Confident | 41 Ų | 41 | 65.7 Ų | 65.7 | 42% | 0.423 | 34% | 0.339 | S | S | . | . | trans | 61.2 | -160.8 | -166.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N2 N142 | N2-G4 PolarHBondContact O-N 3.28Å; G4-N142 PolarHBondContact O-ND2 3.22Å | ||
| 5 | W | 92.3 | Very high | 84.8 | Confident | 16 Ų | 16 | 61.3 Ų | 61.3 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | trans | -118 | 133.5 | 168.3 | -70.7 | 56.7 | 0 | 0 | 0 | 107.3 | I87 N89 S90 T93 I131 L137 A138 H141 N142 | W5-I87 HydrophobicContact CB-CG2 4.26Å; W5-I87 HydrophobicContact CD2-CG2 4.47Å; W5-I87 HydrophobicContact CG-CG2 3.85Å; W5-N89 WeakPolarHBondContact O-CB 3.27Å; W5-N89 PolarHBondContact O-ND2 3.43Å; W5-S90 VanDerWaalsContact CE3-CB 3.42Å; W5-T93 HydrophobicContact CH2-CG2 4.08Å; W5-T93 HydrophobicContact CZ3-CG2 3.87Å; W5-I131 HydrophobicContact CH2-CG2 4.24Å; W5-L137 HydrophobicContact CH2-CB 4.01Å; W5-A138 HydrophobicContact CD2-CB 4.35Å; W5-A138 HydrophobicContact CH2-CB 4.45Å; W5-A138 HydrophobicContact CZ2-CB 3.69Å; W5-H141 HydrophobicContact CE3-CB 3.83Å; W5-H141 AromaticContact CE3-CD2 3.51Å; W5-H141 AromaticContact CE3-CE1 3.74Å; W5-H141 AromaticContact CE3-CG 3.39Å; W5-H141 AromaticContact CE3-ND1 3.54Å; W5-H141 AromaticContact CE3-NE2 3.69Å; W5-H141 HydrophobicContact CZ3-CB 3.72Å; W5-H141 AromaticContact CZ3-CG 3.63Å; W5-H141 AromaticContact CZ3-ND1 3.61Å; W5-N142 WeakPolarHBondContact CA-OD1 3.35Å | ||
| 6 | L | 92.2 | Very high | 85.7 | Confident | 42 Ų | 42 | 57.5 Ų | 57.5 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -88.5 | 163.9 | -177.3 | -62.7 | 175 | 0 | 0 | 0 | 111.4 | N89 H141 N142 A145 | L6-N89 WeakPolarHBondContact O-CB 3.38Å; L6-H141 PolarHBondContact O-NE2 3.24Å; L6-N142 HydrophobicContact CD1-CB 4.38Å; L6-N142 PolarHBondContact N-OD1 2.99Å; L6-A145 HydrophobicContact CB-CB 3.43Å; L6-A145 VanDerWaalsContact CB-CB 3.43Å; L6-A145 HydrophobicContact CD1-CB 3.75Å; L6-A145 HydrophobicContact CG-CB 4.23Å |
| 7 | E | 91 | Very high | 86.4 | Confident | 120 Ų | 120 | 54.5 Ų | 54.5 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 131.7 | 177.8 | -168.7 | 173.2 | -170.4 | 0 | 0 | 111 | ||
| 8 | L | 92.8 | Very high | 87 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -103.3 | 145.2 | 177.3 | -70.5 | -174.1 | 0 | 0 | 0 | 112.4 | L14 L18 A92 H141 H144 A145 | L8-L14 HydrophobicContact CD1-CD2 4.02Å; L8-L14 HydrophobicContact CD2-CD1 4.27Å; L8-L14 HydrophobicContact CD2-CD2 4.27Å; L8-L18 HydrophobicContact CD1-CD2 4.09Å; L8-A92 HydrophobicContact CB-CB 4.24Å; L8-A92 HydrophobicContact CD1-CB 4.11Å; L8-H141 WeakPolarHBondContact CD1-CE1 3.31Å; L8-H141 VanDerWaalsContact CD1-ND1 3.35Å; L8-H141 WeakPolarHBondContact CD1-ND1 3.45Å; L8-H144 HydrophobicContact CD2-CB 4.09Å; L8-A145 HydrophobicContact CD2-CB 3.85Å |
| 9 | E | 91.3 | Very high | 87.6 | Confident | 64 Ų | 64 | 48.7 Ų | 48.7 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 147.4 | 174.6 | -63.2 | -177.3 | 160.1 | 0 | 0 | 111.9 | D11 L14 R146 R666 | E9-D11 VanDerWaalsContact C-N 3.32Å; E9-D11 PolarHBondContact O-N 2.73Å; E9-L14 HydrophobicContact CB-CD1 4.26Å; E9-R146 IonicContact OE1-CZ 3.3Å; E9-R146 IonicContact OE1-NE 2.72Å; E9-R146 PolarHBondContact OE1-NE 2.81Å; E9-R146 IonicContact OE1-NH2 3.34Å; E9-R146 PolarHBondContact OE1-NH2 2.91Å; E9-R666 VanDerWaalsContact OE2-CD 3.31Å; E9-R666 WeakPolarHBondContact OE2-CD 3.4Å; E9-R666 IonicContact OE2-CZ 2.74Å; E9-R666 IonicContact OE2-NE 2.88Å; E9-R666 IonicContact OE2-NH1 3.62Å; E9-R666 PolarHBondContact OE2-NH1 3.22Å |
| 10 | S | 92.2 | Very high | 88 | Confident | 37 Ų | 37 | 49 Ų | 49 | 26% | 0.259 | 25% | 0.252 | S | S | . | . | trans | -79 | 78.8 | 173.3 | -171.7 | 0 | 0 | 0 | 0 | 111.1 | L49 | S10-L49 WeakPolarHBondContact OG-CD2 3.33Š| ||
| 11 | D | 94.1 | Very high | 88.5 | Confident | 36 Ų | 36 | 51.4 Ų | 51.4 | 19% | 0.193 | 27% | 0.265 | C | S | . | . | trans | -127.2 | 124.7 | 178.1 | 165.4 | 35.2 | 0 | 0 | 0 | 110.7 | E9 G13 L14 F15 R666 | E9-D11 VanDerWaalsContact C-N 3.32Å; E9-D11 PolarHBondContact O-N 2.73Å; D11-G13 PolarHBondContact O-N 3.44Å; D11-G13 PolarHBondContact OD1-N 2.8Å; D11-L14 HydrophobicContact CB-CB 3.95Å; D11-L14 WeakPolarHBondContact O-CB 3.47Å; D11-L14 PolarHBondContact O-N 3.24Å; D11-L14 PolarHBondContact OD2-N 3.15Å; D11-F15 WeakPolarHBondContact O-CD2 3.35Å; D11-F15 PolarHBondContact O-N 2.92Å; D11-R666 IonicContact OD2-CZ 3.14Å; D11-R666 IonicContact OD2-NH1 2.68Å; D11-R666 PolarHBondContact OD2-NH1 3.23Å; D11-R666 IonicContact OD2-NH2 2.72Å; D11-R666 PolarHBondContact OD2-NH2 3.03Å | ||
| 12 | P | 96.1 | Very high | 91.4 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 10% | 0.097 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.2 | -26.9 | 175.7 | 28 | -38.7 | 0 | 0 | 0 | 112.8 | T16 V29 E31 M231 | P12-T16 VanDerWaalsContact O-CB 3.25Å; P12-T16 WeakPolarHBondContact O-CB 3.41Å; P12-T16 PolarHBondContact O-N 2.96Å; P12-T16 PolarHBondContact O-OG1 3.27Å; P12-V29 HydrophobicContact CB-CG1 4.38Å; P12-V29 WeakPolarHBondContact CB-O 3.36Å; P12-E31 HydrophobicContact CB-CB 4.39Å; P12-E31 HydrophobicContact CG-CB 3.94Å; P12-M231 HydrophobicContact CB-SD 4.16Å |
| 13 | G | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.1 | -55.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D11 F15 T16 L17 F659 | D11-G13 PolarHBondContact O-N 3.44Å; D11-G13 PolarHBondContact OD1-N 2.8Å; G13-F15 PolarHBondContact O-N 3.18Å; G13-T16 WeakPolarHBondContact O-CB 3.32Å; G13-T16 PolarHBondContact O-N 3.02Å; G13-T16 VanDerWaalsContact O-N 3.15Å; G13-L17 WeakPolarHBondContact O-CG 3.22Å; G13-L17 PolarHBondContact O-N 3.4Å; G13-F659 VanDerWaalsContact CA-CG 3.49Å |
| 14 | L | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -50.8 | -53.2 | 172.3 | -165.7 | 167 | 0 | 0 | 0 | 111.5 | L8 E9 D11 T16 L17 L18 H144 | L8-L14 HydrophobicContact CD1-CD2 4.02Å; L8-L14 HydrophobicContact CD2-CD1 4.27Å; L8-L14 HydrophobicContact CD2-CD2 4.27Å; E9-L14 HydrophobicContact CB-CD1 4.26Å; D11-L14 HydrophobicContact CB-CB 3.95Å; D11-L14 WeakPolarHBondContact O-CB 3.47Å; D11-L14 PolarHBondContact O-N 3.24Å; D11-L14 PolarHBondContact OD2-N 3.15Å; L14-T16 VanDerWaalsContact C-N 3.28Å; L14-T16 PolarHBondContact O-N 3.02Å; L14-L17 PolarHBondContact O-N 3.19Å; L14-L17 VanDerWaalsContact O-N 3.1Å; L14-L18 WeakPolarHBondContact O-CB 3.46Å; L14-L18 PolarHBondContact O-N 2.88Å; L14-H144 HydrophobicContact CD1-CB 4.35Å; L14-H144 HydrophobicContact CD2-CB 3.74Å; L14-H144 HydrophobicContact CG-CB 3.88Å |
| 15 | F | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.4 | -36.3 | -179.6 | -85.5 | -118.1 | 0 | 0 | 0 | 112 | D11 G13 V19 V29 I47 A92 F170 M231 | D11-F15 WeakPolarHBondContact O-CD2 3.35Å; D11-F15 PolarHBondContact O-N 2.92Å; G13-F15 PolarHBondContact O-N 3.18Å; F15-V19 VanDerWaalsContact O-CG2 3.31Å; F15-V19 WeakPolarHBondContact O-CG2 3.4Å; F15-V19 PolarHBondContact O-N 3.48Å; F15-V19 VanDerWaalsContact O-N 3.14Å; F15-V29 HydrophobicContact CB-CB 3.98Å; F15-V29 HydrophobicContact CB-CG1 3.95Å; F15-V29 HydrophobicContact CB-CG2 4.01Å; F15-I47 HydrophobicContact CD1-CD1 4.15Å; F15-I47 HydrophobicContact CE1-CD1 4.15Å; F15-I47 HydrophobicContact CE1-CG2 4.35Å; F15-A92 HydrophobicContact CE1-CB 4.15Å; F15-A92 HydrophobicContact CE2-CB 4.12Å; F15-A92 HydrophobicContact CZ-CB 3.49Å; F15-A92 VanDerWaalsContact CZ-CB 3.49Å; F15-F170 HydrophobicContact CE1-CE1 4.44Å; F15-F170 HydrophobicContact CE2-CE1 4.41Å; F15-F170 HydrophobicContact CE2-CZ 4.18Å; F15-F170 HydrophobicContact CZ-CD1 4.32Å; F15-F170 AromaticContact CZ-CE1 3.69Å; F15-F170 HydrophobicContact CZ-CE1 3.69Å; F15-F170 HydrophobicContact CZ-CE2 4.31Å; F15-F170 AromaticContact CZ-CZ 3.69Å; F15-F170 HydrophobicContact CZ-CZ 3.69Å; F15-M231 HydrophobicContact CD1-CE 4.15Å; F15-M231 HydrophobicContact CD2-CE 4.19Å; F15-M231 HydrophobicContact CD2-SD 4.44Å; F15-M231 HydrophobicContact CE1-CE 3.98Å; F15-M231 HydrophobicContact CE2-CE 4.02Å; F15-M231 HydrophobicContact CG-CE 4.24Å; F15-M231 HydrophobicContact CG-SD 4.31Å; F15-M231 HydrophobicContact CZ-CE 3.89Å |
| 16 | T | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.5 | -37.8 | 174.9 | -64.3 | 0 | 0 | 0 | 0 | 112.5 | P12 G13 L14 E20 Q28 V29 R656 | P12-T16 VanDerWaalsContact O-CB 3.25Å; P12-T16 WeakPolarHBondContact O-CB 3.41Å; P12-T16 PolarHBondContact O-N 2.96Å; P12-T16 PolarHBondContact O-OG1 3.27Å; G13-T16 WeakPolarHBondContact O-CB 3.32Å; G13-T16 PolarHBondContact O-N 3.02Å; G13-T16 VanDerWaalsContact O-N 3.15Å; L14-T16 VanDerWaalsContact C-N 3.28Å; L14-T16 PolarHBondContact O-N 3.02Å; T16-E20 PolarHBondContact O-N 3.3Å; T16-Q28 HydrophobicContact CG2-CB 3.84Å; T16-V29 PolarHBondContact OG1-N 2.77Å; T16-V29 PolarHBondContact OG1-O 3.38Å; T16-R656 VanDerWaalsContact CG2-NH1 3.29Å |
| 17 | L | 97.8 | Very high | 96 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72.5 | -40.7 | 176.3 | -62.4 | 176.6 | 0 | 0 | 0 | 111.9 | G13 L14 V19 E20 D21 H144 F659 K660 D663 | G13-L17 WeakPolarHBondContact O-CG 3.22Å; G13-L17 PolarHBondContact O-N 3.4Å; L14-L17 PolarHBondContact O-N 3.19Å; L14-L17 VanDerWaalsContact O-N 3.1Å; L17-V19 PolarHBondContact O-N 3.02Å; L17-E20 WeakPolarHBondContact O-CA 3.36Å; L17-E20 WeakPolarHBondContact O-CB 3.45Å; L17-E20 PolarHBondContact O-N 3.41Å; L17-D21 PolarHBondContact O-N 3.05Å; L17-H144 VanDerWaalsContact CB-CE1 3.48Å; L17-H144 WeakPolarHBondContact CB-CE1 3.4Å; L17-F659 HydrophobicContact CD1-CB 4.37Å; L17-K660 HydrophobicContact CD1-CG 4.17Å; L17-K660 HydrophobicContact CD2-CD 4.18Å; L17-K660 HydrophobicContact CD2-CG 3.61Å; L17-D663 HydrophobicContact CD1-CB 3.59Å |
| 18 | L | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.7 | -32.6 | 174.9 | -177.4 | 63.9 | 0 | 0 | 0 | 112.4 | L8 L14 F22 L96 A140 H144 | L8-L18 HydrophobicContact CD1-CD2 4.09Å; L14-L18 WeakPolarHBondContact O-CB 3.46Å; L14-L18 PolarHBondContact O-N 2.88Å; L18-F22 HydrophobicContact CD1-CD1 4.26Å; L18-F22 HydrophobicContact CD1-CE1 3.53Å; L18-F22 HydrophobicContact CD1-CE2 4.33Å; L18-F22 HydrophobicContact CD1-CZ 3.57Å; L18-F22 HydrophobicContact CD2-CE2 4.49Å; L18-F22 HydrophobicContact CD2-CZ 4.18Å; L18-F22 HydrophobicContact CG-CE1 4.1Å; L18-F22 HydrophobicContact CG-CE2 4Å; L18-F22 HydrophobicContact CG-CZ 3.71Å; L18-F22 WeakPolarHBondContact O-CG 3.3Å; L18-F22 PolarHBondContact O-N 3.35Å; L18-F22 VanDerWaalsContact O-N 3.08Å; L18-L96 HydrophobicContact CD2-CD2 3.97Å; L18-L96 HydrophobicContact CG-CD2 4.17Å; L18-A140 HydrophobicContact CD1-CB 4.23Å; L18-A140 WeakPolarHBondContact CD1-O 3.3Å; L18-H144 PolarHBondContact N-NE2 2.83Å |
| 19 | V | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.9 | -45.5 | 170.6 | 170.6 | 0 | 0 | 0 | 0 | 111.8 | F15 L17 D21 F22 V24 V27 V29 L96 L100 | F15-V19 VanDerWaalsContact O-CG2 3.31Å; F15-V19 WeakPolarHBondContact O-CG2 3.4Å; F15-V19 PolarHBondContact O-N 3.48Å; F15-V19 VanDerWaalsContact O-N 3.14Å; L17-V19 PolarHBondContact O-N 3.02Å; V19-D21 VanDerWaalsContact C-N 3.34Å; V19-D21 PolarHBondContact O-N 3.4Å; V19-F22 PolarHBondContact O-N 2.6Å; V19-V24 HydrophobicContact CG1-CB 3.74Å; V19-V24 HydrophobicContact CG1-CG1 3.85Å; V19-V24 WeakPolarHBondContact O-CB 3.28Å; V19-V24 PolarHBondContact O-N 2.75Å; V19-V27 HydrophobicContact CG1-CB 3.91Å; V19-V27 HydrophobicContact CG1-CG1 4.09Å; V19-V29 HydrophobicContact CG2-CG2 4.45Å; V19-L96 HydrophobicContact CG2-CD1 3.77Å; V19-L96 HydrophobicContact CG2-CD2 3.76Å; V19-L96 HydrophobicContact CG2-CG 4.2Å; V19-L100 HydrophobicContact CG2-CD1 4.47Å |
| 20 | E | 97 | Very high | 96.6 | Very high | 54 Ų | 54 | 22.7 Ų | 22.7 | 25% | 0.252 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -59.7 | -43.5 | 174.5 | -68.7 | -172.2 | 164.7 | 0 | 0 | 110.9 | T16 L17 F22 G23 R238 R656 K660 | T16-E20 PolarHBondContact O-N 3.3Å; L17-E20 WeakPolarHBondContact O-CA 3.36Å; L17-E20 WeakPolarHBondContact O-CB 3.45Å; L17-E20 PolarHBondContact O-N 3.41Å; E20-F22 PolarHBondContact O-N 2.65Å; E20-G23 WeakPolarHBondContact O-CA 3.2Å; E20-G23 PolarHBondContact O-N 3.46Å; E20-R238 IonicContact OE1-NH2 2.74Å; E20-R238 PolarHBondContact OE1-NH2 3.2Å; E20-R238 VanDerWaalsContact OE1-NH2 3.14Å; E20-R656 IonicContact OE1-CZ 2.6Å; E20-R656 IonicContact OE1-NH1 3.96Å; E20-R656 PolarHBondContact OE1-NH1 3.21Å; E20-K660 WeakPolarHBondContact OE2-CE 3.15Å; E20-K660 IonicContact OE2-NZ 3.82Å; E20-K660 PolarHBondContact OE2-NZ 2.92Å |
| 21 | D | 97.2 | Very high | 96.7 | Very high | 100 Ų | 100 | 23.6 Ų | 23.6 | 54% | 0.535 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -72.8 | -24.1 | -177.9 | -96.5 | 34 | 0 | 0 | 0 | 114.1 | L17 V19 G23 A140 | L17-D21 PolarHBondContact O-N 3.05Å; V19-D21 VanDerWaalsContact C-N 3.34Å; V19-D21 PolarHBondContact O-N 3.4Å; D21-G23 PolarHBondContact O-N 3.22Å; D21-A140 HydrophobicContact CB-CB 4.03Å |
| 22 | F | 97.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 3% | 0.026 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -6.5 | 165.7 | -67.8 | -14.7 | 0 | 0 | 0 | 113.2 | L18 V19 E20 V24 T93 L96 L97 L112 L137 A140 | L18-F22 HydrophobicContact CD1-CD1 4.26Å; L18-F22 HydrophobicContact CD1-CE1 3.53Å; L18-F22 HydrophobicContact CD1-CE2 4.33Å; L18-F22 HydrophobicContact CD1-CZ 3.57Å; L18-F22 HydrophobicContact CD2-CE2 4.49Å; L18-F22 HydrophobicContact CD2-CZ 4.18Å; L18-F22 HydrophobicContact CG-CE1 4.1Å; L18-F22 HydrophobicContact CG-CE2 4Å; L18-F22 HydrophobicContact CG-CZ 3.71Å; L18-F22 WeakPolarHBondContact O-CG 3.3Å; L18-F22 PolarHBondContact O-N 3.35Å; L18-F22 VanDerWaalsContact O-N 3.08Å; V19-F22 PolarHBondContact O-N 2.6Å; E20-F22 PolarHBondContact O-N 2.65Å; F22-V24 HydrophobicContact CB-CG2 4.16Å; F22-T93 HydrophobicContact CE2-CG2 4.08Å; F22-T93 HydrophobicContact CZ-CG2 3.61Å; F22-L96 HydrophobicContact CE2-CD2 4.01Å; F22-L97 HydrophobicContact CD2-CD2 4.43Å; F22-L97 HydrophobicContact CE2-CD2 4.24Å; F22-L112 HydrophobicContact CB-CD1 4.35Å; F22-L112 HydrophobicContact CB-CG 4.39Å; F22-L112 HydrophobicContact CD2-CD1 4.35Å; F22-L137 HydrophobicContact CD1-CD2 3.6Å; F22-L137 HydrophobicContact CD2-CD2 4.48Å; F22-L137 HydrophobicContact CE1-CB 4.22Å; F22-L137 HydrophobicContact CE1-CD2 3.68Å; F22-L137 HydrophobicContact CG-CD2 4.03Å; F22-L137 HydrophobicContact CZ-CD2 4.18Å; F22-A140 HydrophobicContact CD1-CB 3.83Å; F22-A140 HydrophobicContact CE1-CB 3.79Å |
| 23 | G | 96.7 | Very high | 96.2 | Very high | 29 Ų | 29 | 30.4 Ų | 30.4 | 30% | 0.299 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 10.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E20 D21 G109 | E20-G23 WeakPolarHBondContact O-CA 3.2Å; E20-G23 PolarHBondContact O-N 3.46Å; D21-G23 PolarHBondContact O-N 3.22Å; G23-G109 WeakPolarHBondContact O-CA 3.48Å |
| 24 | V | 97.6 | Very high | 95.6 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | trans | -76.2 | 139.2 | 177.9 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | V19 F22 V27 L100 V106 D107 L112 | V19-V24 HydrophobicContact CG1-CB 3.74Å; V19-V24 HydrophobicContact CG1-CG1 3.85Å; V19-V24 WeakPolarHBondContact O-CB 3.28Å; V19-V24 PolarHBondContact O-N 2.75Å; F22-V24 HydrophobicContact CB-CG2 4.16Å; V24-V27 HydrophobicContact CG1-CB 4.29Å; V24-V27 HydrophobicContact CG1-CG2 4.04Å; V24-L100 HydrophobicContact CG1-CD2 4.25Å; V24-L100 HydrophobicContact CG2-CD1 4.31Å; V24-V106 HydrophobicContact CG1-CG1 3.73Å; V24-D107 WeakPolarHBondContact CA-O 3.46Å; V24-D107 WeakPolarHBondContact CG1-O 3.23Å; V24-L112 HydrophobicContact CG2-CD1 3.47Å; V24-L112 VanDerWaalsContact CG2-CD1 3.47Å; V24-L112 HydrophobicContact CG2-CG 4.21Å | ||
| 25 | K | 95.3 | Very high | 94.9 | Very high | 128 Ų | 128 | 35.5 Ų | 35.5 | 56% | 0.557 | 18% | 0.18 | S | C | * | . | B | Isolated β-bridge | trans | -116.1 | 148.7 | -178.2 | -50.8 | -164.6 | -156.5 | 86 | 0 | 112.9 | V27 D107 | K25-V27 VanDerWaalsContact C-N 3.3Å; K25-V27 PolarHBondContact O-N 3.13Å; K25-D107 HydrophobicContact CB-CB 4.2Å; K25-D107 WeakPolarHBondContact CD-OD2 3.43Å; K25-D107 WeakPolarHBondContact CG-OD2 3.24Å; K25-D107 PolarHBondContact N-O 3.12Å; K25-D107 IonicContact NZ-OD1 3.47Å; K25-D107 IonicContact NZ-OD2 3.42Å; K25-D107 PolarHBondContact NZ-OD2 3.43Å |
| 26 | G | 95.5 | Very high | 94.1 | Very high | 24 Ų | 24 | 41.5 Ų | 41.5 | 25% | 0.247 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 70 | 22.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | P235 D236 | G26-P235 CarbonylContact O-C 3.55Å; G26-P235 VanDerWaalsContact O-CA 3.27Å; G26-P235 WeakPolarHBondContact O-CA 3.48Å; G26-D236 PolarHBondContact O-N 2.92Å |
| 27 | V | 97.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.8 | 176.8 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | V19 V24 K25 Y44 L100 V106 V233 V234 | V19-V27 HydrophobicContact CG1-CB 3.91Å; V19-V27 HydrophobicContact CG1-CG1 4.09Å; V24-V27 HydrophobicContact CG1-CB 4.29Å; V24-V27 HydrophobicContact CG1-CG2 4.04Å; K25-V27 VanDerWaalsContact C-N 3.3Å; K25-V27 PolarHBondContact O-N 3.13Å; V27-Y44 HydrophobicContact CG2-CD2 4.45Å; V27-Y44 HydrophobicContact CG2-CE2 3.96Å; V27-L100 HydrophobicContact CG1-CD2 4.23Å; V27-V106 HydrophobicContact CG2-CG1 3.68Å; V27-V106 HydrophobicContact CG2-CG2 4.09Å; V27-V233 HydrophobicContact CG1-CG1 3.46Å; V27-V233 VanDerWaalsContact CG1-CG1 3.46Å; V27-V234 CarbonylContact C-O 3.59Å; V27-V234 WeakPolarHBondContact CA-O 3.31Å |
| 28 | Q | 96.7 | Very high | 92.4 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 167.8 | 167.6 | 71.8 | -173.7 | 40.1 | 0 | 0 | 110.9 | T16 E30 V234 D236 E652 | T16-Q28 HydrophobicContact CG2-CB 3.84Å; Q28-E30 HydrophobicContact CG-CG 4.43Å; Q28-E30 PolarHBondContact NE2-OE1 3.17Å; Q28-V234 HydrophobicContact CG-CG2 3.81Å; Q28-V234 PolarHBondContact N-O 3.31Å; Q28-V234 PolarHBondContact O-N 3.23Å; Q28-V234 VanDerWaalsContact O-O 3.07Å; Q28-D236 PolarHBondContact OE1-OD1 3.34Å; Q28-E652 PolarHBondContact NE2-OE2 2.87Å; Q28-E652 VanDerWaalsContact NE2-OE2 3.08Å |
| 29 | V | 97.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.9 | 180 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | P12 F15 T16 V19 L96 M231 A232 V233 | P12-V29 HydrophobicContact CB-CG1 4.38Å; P12-V29 WeakPolarHBondContact CB-O 3.36Å; F15-V29 HydrophobicContact CB-CB 3.98Å; F15-V29 HydrophobicContact CB-CG1 3.95Å; F15-V29 HydrophobicContact CB-CG2 4.01Å; T16-V29 PolarHBondContact OG1-N 2.77Å; T16-V29 PolarHBondContact OG1-O 3.38Å; V19-V29 HydrophobicContact CG2-CG2 4.45Å; V29-L96 HydrophobicContact CG2-CD1 4.45Å; V29-M231 HydrophobicContact CG1-CB 3.7Å; V29-M231 HydrophobicContact CG1-CG 4.09Å; V29-M231 HydrophobicContact CG1-SD 3.74Å; V29-A232 WeakPolarHBondContact CA-O 3.47Å; V29-V233 HydrophobicContact CG2-CG2 4.38Å |
| 30 | E | 95.2 | Very high | 90.4 | Very high | 27 Ų | 27 | 57.5 Ų | 57.5 | 13% | 0.126 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 136.9 | -174.6 | -64.6 | -174.5 | 174.1 | 0 | 0 | 111.2 | Q28 M231 A232 V234 R237 K655 | Q28-E30 HydrophobicContact CG-CG 4.43Å; Q28-E30 PolarHBondContact NE2-OE1 3.17Å; E30-M231 CarbonylContact O-C 3.59Å; E30-M231 WeakPolarHBondContact O-CA 3.27Å; E30-A232 PolarHBondContact N-O 3.12Å; E30-A232 PolarHBondContact O-N 3.39Å; E30-V234 HydrophobicContact CG-CG2 3.83Å; E30-R237 WeakPolarHBondContact OE1-CD 3.48Å; E30-R237 IonicContact OE1-CZ 3.73Å; E30-R237 VanDerWaalsContact OE1-CZ 3.31Å; E30-R237 IonicContact OE1-NE 2.71Å; E30-R237 PolarHBondContact OE1-NE 2.68Å; E30-R237 IonicContact OE1-NH2 2.83Å; E30-R237 PolarHBondContact OE1-NH2 2.98Å; E30-R237 IonicContact OE2-CZ 2.91Å; E30-R237 IonicContact OE2-NE 3.75Å; E30-R237 PolarHBondContact OE2-NE 2.86Å; E30-R237 IonicContact OE2-NH2 3.8Å; E30-R237 PolarHBondContact OE2-NH2 2.94Å; E30-K655 IonicContact OE1-NZ 2.69Å |
| 31 | E | 94.5 | Very high | 89.8 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 135.8 | 178 | -173.8 | 174.1 | -163.2 | 0 | 0 | 111.4 | P12 Y33 N229 | P12-E31 HydrophobicContact CB-CB 4.39Å; P12-E31 HydrophobicContact CG-CB 3.94Å; E31-Y33 HydrophobicContact CB-CE1 4.31Å; E31-Y33 HydrophobicContact CG-CD1 4.11Å; E31-Y33 HydrophobicContact CG-CE1 3.58Å; E31-Y33 WeakPolarHBondContact OE2-CE1 3.16Å; E31-Y33 PolarHBondContact OE2-OH 2.92Å; E31-N229 PolarHBondContact OE1-ND2 3.09Å |
| 32 | I | 91.7 | Very high | 89.5 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | trans | -105.3 | 91.7 | -176 | -55.1 | -60.4 | 0 | 0 | 0 | 109.1 | F46 L230 A232 | I32-F46 HydrophobicContact CG1-CE1 4.39Å; I32-L230 HydrophobicContact CB-CB 4.29Å; I32-L230 HydrophobicContact CB-CD2 3.99Å; I32-L230 HydrophobicContact CB-CG 4.07Å; I32-L230 HydrophobicContact CG1-CD2 4.4Å; I32-L230 HydrophobicContact CG1-CG 4.31Å; I32-L230 HydrophobicContact CG2-CD2 4.01Å; I32-L230 PolarHBondContact N-O 3.33Å; I32-A232 HydrophobicContact CD1-CB 3.9Å; I32-A232 HydrophobicContact CG1-CB 4.02Å | ||
| 33 | Y | 86.7 | Confident | 89.5 | Confident | 166 Ų | 166 | 56.5 Ų | 56.5 | 65% | 0.651 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -72.6 | -28.5 | 178.7 | -56.3 | -64.4 | 0 | 0 | 0 | 114 | E31 | E31-Y33 HydrophobicContact CB-CE1 4.31Å; E31-Y33 HydrophobicContact CG-CD1 4.11Å; E31-Y33 HydrophobicContact CG-CE1 3.58Å; E31-Y33 WeakPolarHBondContact OE2-CE1 3.16Å; E31-Y33 PolarHBondContact OE2-OH 2.92Å |
| 34 | D | 85 | Confident | 89.5 | Confident | 74 Ų | 74 | 57 Ų | 57 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | trans | -124.5 | 114.4 | 179.3 | 175 | 29.4 | 0 | 0 | 0 | 111.7 | Q36 S37 | D34-Q36 VanDerWaalsContact C-N 3.27Å; D34-Q36 PolarHBondContact O-N 2.9Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.42Å; D34-Q36 PolarHBondContact OD1-N 3.2Å; D34-S37 PolarHBondContact O-OG 3.45Å; D34-S37 WeakPolarHBondContact OD2-CB 3.4Å; D34-S37 PolarHBondContact OD2-N 3.36Å | ||
| 35 | L | 82.4 | Confident | 89.5 | Confident | 32 Ų | 32 | 56.7 Ų | 56.7 | 17% | 0.168 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -70.7 | -18.7 | 176.4 | -66 | 170.5 | 0 | 0 | 0 | 113.5 | R207 I210 M211 I214 L230 | L35-R207 VanDerWaalsContact O-CD 3.32Å; L35-R207 WeakPolarHBondContact O-CD 3.33Å; L35-R207 PolarHBondContact O-NE 2.84Å; L35-I210 HydrophobicContact CD2-CG2 4.41Å; L35-M211 HydrophobicContact CB-CE 3.91Å; L35-I214 HydrophobicContact CD1-CD1 3.83Å; L35-L230 HydrophobicContact CD2-CD2 3.38Å |
| 36 | Q | 80 | Confident | 89.6 | Confident | 126 Ų | 126 | 50.6 Ų | 50.6 | 59% | 0.589 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -80.3 | -36.6 | 178.3 | -56 | -172.5 | 3.3 | 0 | 0 | 110.9 | D34 Y223 | D34-Q36 VanDerWaalsContact C-N 3.27Å; D34-Q36 PolarHBondContact O-N 2.9Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.42Å; D34-Q36 PolarHBondContact OD1-N 3.2Å; Q36-Y223 PolarHBondContact NE2-OH 3.22Å |
| 37 | S | 79.3 | Confident | 89.7 | Confident | 53 Ų | 53 | 49.5 Ų | 49.5 | 37% | 0.371 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -54.7 | 141.3 | 173.2 | 77.6 | 0 | 0 | 0 | 0 | 113.2 | D34 R207 | D34-S37 PolarHBondContact O-OG 3.45Å; D34-S37 WeakPolarHBondContact OD2-CB 3.4Å; D34-S37 PolarHBondContact OD2-N 3.36Å; S37-R207 PolarHBondContact O-NE 3.33Å; S37-R207 PolarHBondContact O-NH2 3.38Å |
| 38 | K | 80.9 | Confident | 89.6 | Confident | 109 Ų | 109 | 49.4 Ų | 49.4 | 47% | 0.474 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 141.7 | 168.2 | -81.1 | -167.4 | 171.7 | -104.6 | 0 | 110.3 | E201 D204 | K38-E201 IonicContact NZ-OE1 4Å; K38-E201 PolarHBondContact NZ-OE1 3.26Å; K38-D204 IonicContact NZ-OD1 3.85Å; K38-D204 IonicContact NZ-OD2 2.64Å; K38-D204 PolarHBondContact NZ-OD2 3.49Å |
| 39 | C | 80 | Confident | 89.4 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 16% | 0.162 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 141 | 176.8 | -65.1 | 0 | 0 | 0 | 0 | 111.2 | G41 V43 | C39-G41 VanDerWaalsContact C-N 3.3Å; C39-G41 PolarHBondContact O-N 3.37Å; C39-V43 HydrophobicContact CB-CG2 3.58Å |
| 40 | Q | 75.6 | Confident | 88.9 | Confident | 156 Ų | 156 | 51.2 Ų | 51.2 | 73% | 0.729 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -88.3 | 56.6 | -171.2 | -66.4 | -170.4 | 12 | 0 | 0 | 114.2 | K240 | Q40-K240 PolarHBondContact O-NZ 2.95Š|
| 41 | G | 83.2 | Confident | 88.4 | Confident | 33 Ų | 33 | 51.8 Ų | 51.8 | 34% | 0.34 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 134.7 | -169.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C39 V43 | C39-G41 VanDerWaalsContact C-N 3.3Å; C39-G41 PolarHBondContact O-N 3.37Å; G41-V43 PolarHBondContact O-N 3.18Å |
| 42 | P | 92.1 | Very high | 87.4 | Confident | 96 Ų | 96 | 52.9 Ų | 52.9 | 62% | 0.623 | 26% | 0.264 | S | S | * | . | trans | -63.7 | 135.1 | 179.5 | 27.9 | -35.2 | 0 | 0 | 0 | 111 | P235 | P42-P235 HydrophobicContact CG-CG 3.98Å; P42-P235 WeakPolarHBondContact O-CD 3.26Å | ||
| 43 | V | 95.3 | Very high | 86.4 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 6% | 0.061 | 27% | 0.269 | C | S | . | . | trans | -109.2 | 139.7 | 172 | -178.1 | 0 | 0 | 0 | 0 | 107.7 | C39 G41 G45 F46 W202 T203 A232 V234 | C39-V43 HydrophobicContact CB-CG2 3.58Å; G41-V43 PolarHBondContact O-N 3.18Å; V43-G45 WeakPolarHBondContact CG1-O 3.31Å; V43-F46 HydrophobicContact CG1-CE1 4.26Å; V43-F46 HydrophobicContact CG1-CE2 4.29Å; V43-F46 HydrophobicContact CG1-CZ 4.1Å; V43-W202 HydrophobicContact CB-CH2 4.43Å; V43-W202 HydrophobicContact CB-CZ2 3.75Å; V43-W202 HydrophobicContact CG1-CH2 3.99Å; V43-W202 HydrophobicContact CG1-CZ2 3.77Å; V43-W202 WeakPolarHBondContact O-CZ2 3.27Å; V43-T203 HydrophobicContact CB-CG2 4.15Å; V43-T203 HydrophobicContact CG2-CG2 4.15Å; V43-A232 HydrophobicContact CG1-CB 4.05Å; V43-V234 HydrophobicContact CB-CG1 4.5Å; V43-V234 HydrophobicContact CG1-CG1 4.42Å; V43-V234 HydrophobicContact CG2-CG1 4.1Å | ||
| 44 | Y | 96.9 | Very high | 85.4 | Confident | 41 Ų | 41 | 50.3 Ų | 50.3 | 16% | 0.161 | 26% | 0.258 | C | S | . | . | trans | -87.7 | -35.1 | 177.6 | -69.4 | -62.1 | 0 | 0 | 0 | 112.5 | V27 C103 N105 V106 V233 P235 | V27-Y44 HydrophobicContact CG2-CD2 4.45Å; V27-Y44 HydrophobicContact CG2-CE2 3.96Å; Y44-C103 HydrophobicContact CD1-CB 4.46Å; Y44-N105 HydrophobicContact CE1-CB 4.42Å; Y44-N105 WeakPolarHBondContact CE1-O 3.49Å; Y44-N105 PolarHBondContact OH-O 3.46Å; Y44-V106 HydrophobicContact CD1-CG2 3.8Å; Y44-V106 HydrophobicContact CD2-CG2 4.37Å; Y44-V106 HydrophobicContact CE1-CG2 3.38Å; Y44-V106 HydrophobicContact CE2-CG2 4.01Å; Y44-V106 HydrophobicContact CG-CG2 4.27Å; Y44-V106 VanDerWaalsContact CZ-CG2 3.48Å; Y44-V233 WeakPolarHBondContact CB-O 3.43Å; Y44-V233 HydrophobicContact CD2-CG1 4.3Å; Y44-V233 PolarHBondContact N-O 3.4Å; Y44-P235 HydrophobicContact CE2-CB 4.32Å; Y44-P235 HydrophobicContact CE2-CG 3.7Å | ||
| 45 | G | 97.4 | Very high | 84 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | 165.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V43 Y173 V233 | V43-G45 WeakPolarHBondContact CG1-O 3.31Å; G45-Y173 CarbonylContact C-O 3.53Å; G45-Y173 VanDerWaalsContact CA-O 3.24Å; G45-Y173 WeakPolarHBondContact CA-O 3.32Å; G45-V233 PolarHBondContact O-N 2.99Å |
| 46 | F | 97.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 148.7 | 168.7 | -61.3 | -84.1 | 0 | 0 | 0 | 111 | I32 V43 S172 Y173 W202 A206 I210 L230 M231 A232 | I32-F46 HydrophobicContact CG1-CE1 4.39Å; V43-F46 HydrophobicContact CG1-CE1 4.26Å; V43-F46 HydrophobicContact CG1-CE2 4.29Å; V43-F46 HydrophobicContact CG1-CZ 4.1Å; F46-S172 CarbonylContact O-C 3.59Å; F46-S172 VanDerWaalsContact O-CA 3.3Å; F46-S172 WeakPolarHBondContact O-CA 3.19Å; F46-Y173 PolarHBondContact N-O 3.41Å; F46-Y173 PolarHBondContact O-N 2.9Å; F46-W202 AromaticContact CD2-CH2 3.51Å; F46-W202 HydrophobicContact CD2-CH2 3.51Å; F46-W202 AromaticContact CD2-CZ3 3.62Å; F46-W202 HydrophobicContact CD2-CZ3 3.62Å; F46-W202 AromaticContact CE2-CH2 3.46Å; F46-W202 HydrophobicContact CE2-CH2 3.46Å; F46-W202 VanDerWaalsContact CE2-CH2 3.46Å; F46-W202 HydrophobicContact CE2-CZ2 4.3Å; F46-W202 AromaticContact CE2-CZ3 3.63Å; F46-W202 HydrophobicContact CE2-CZ3 3.63Å; F46-A206 HydrophobicContact CD2-CB 3.92Å; F46-A206 HydrophobicContact CE2-CB 3.84Å; F46-I210 HydrophobicContact CB-CD1 4.48Å; F46-L230 HydrophobicContact CB-CD1 3.87Å; F46-L230 HydrophobicContact CD1-CD1 4.19Å; F46-L230 HydrophobicContact CD1-CD2 4.34Å; F46-L230 HydrophobicContact CD1-CG 4.31Å; F46-L230 HydrophobicContact CG-CD1 4.33Å; F46-M231 CarbonylContact C-O 3.59Å; F46-M231 VanDerWaalsContact CA-O 3.27Å; F46-M231 WeakPolarHBondContact CA-O 3.25Å; F46-A232 HydrophobicContact CD1-CB 3.82Å; F46-A232 HydrophobicContact CE1-CB 3.81Å |
| 47 | I | 97.5 | Very high | 81.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 111.9 | 171.2 | -64.8 | 173.3 | 0 | 0 | 0 | 106.5 | F15 A95 L96 V99 F170 M231 V233 | F15-I47 HydrophobicContact CD1-CD1 4.15Å; F15-I47 HydrophobicContact CE1-CD1 4.15Å; F15-I47 HydrophobicContact CE1-CG2 4.35Å; I47-A95 HydrophobicContact CG2-CB 4.11Å; I47-L96 HydrophobicContact CD1-CB 4.19Å; I47-L96 HydrophobicContact CD1-CD1 3.98Å; I47-V99 HydrophobicContact CG1-CG2 4.04Å; I47-F170 HydrophobicContact CG2-CB 4.45Å; I47-F170 HydrophobicContact CG2-CD1 3.57Å; I47-F170 HydrophobicContact CG2-CE1 4.27Å; I47-F170 HydrophobicContact CG2-CG 4.4Å; I47-M231 HydrophobicContact CB-CB 4.43Å; I47-M231 HydrophobicContact CG2-CE 4.25Å; I47-M231 PolarHBondContact N-O 3.49Å; I47-M231 PolarHBondContact O-N 2.92Å; I47-V233 HydrophobicContact CD1-CG2 3.85Å; I47-V233 HydrophobicContact CG1-CG2 4.21Å |
| 48 | F | 95.4 | Very high | 80.2 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.7 | -179.2 | 179.4 | -119.2 | 0 | 0 | 0 | 110.5 | F50 F170 V171 Y173 I210 R213 I214 F228 N229 L230 | F48-F50 AromaticContact CD1-CD1 3.7Å; F48-F50 HydrophobicContact CD1-CD1 3.7Å; F48-F50 HydrophobicContact CD1-CE1 4.33Å; F48-F50 HydrophobicContact CE1-CB 4.04Å; F48-F50 AromaticContact CE1-CD1 3.63Å; F48-F50 HydrophobicContact CE1-CD1 3.63Å; F48-F50 HydrophobicContact CE1-CG 4.18Å; F48-F50 HydrophobicContact CZ-CB 4.28Å; F48-F170 WeakPolarHBondContact O-CA 3.48Å; F48-V171 PolarHBondContact N-O 3.4Å; F48-V171 PolarHBondContact O-N 3.21Å; F48-Y173 HydrophobicContact CB-CD2 4.2Å; F48-Y173 HydrophobicContact CB-CE2 3.87Å; F48-Y173 HydrophobicContact CD1-CE2 4.38Å; F48-Y173 HydrophobicContact CG-CE2 4.42Å; F48-I210 HydrophobicContact CD2-CG2 3.95Å; F48-I210 HydrophobicContact CE2-CG2 3.96Å; F48-I210 HydrophobicContact CG-CG2 4.43Å; F48-I210 HydrophobicContact CZ-CG2 4.45Å; F48-R213 HydrophobicContact CE1-CG 4.38Å; F48-I214 HydrophobicContact CE2-CD1 3.92Å; F48-I214 HydrophobicContact CE2-CG1 4.06Å; F48-I214 HydrophobicContact CZ-CD1 4.16Å; F48-I214 HydrophobicContact CZ-CG1 3.78Å; F48-F228 HydrophobicContact CE1-CD1 4.4Å; F48-F228 HydrophobicContact CE2-CB 4.15Å; F48-F228 HydrophobicContact CE2-CD1 4.02Å; F48-F228 HydrophobicContact CE2-CG 4.4Å; F48-F228 HydrophobicContact CZ-CB 4.46Å; F48-F228 AromaticContact CZ-CD1 3.49Å; F48-F228 HydrophobicContact CZ-CD1 3.49Å; F48-F228 VanDerWaalsContact CZ-CD1 3.49Å; F48-F228 HydrophobicContact CZ-CE1 4.06Å; F48-F228 HydrophobicContact CZ-CG 4.23Å; F48-N229 VanDerWaalsContact CD2-O 3.32Å; F48-N229 WeakPolarHBondContact CD2-O 3.46Å; F48-L230 HydrophobicContact CB-CD1 4.04Å; F48-L230 HydrophobicContact CD2-CB 4.47Å; F48-L230 HydrophobicContact CD2-CD1 4.17Å |
| 49 | L | 93.1 | Very high | 78.8 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 7% | 0.068 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 136.5 | 173.6 | -173.5 | 61.4 | 0 | 0 | 0 | 110.3 | S10 F168 H169 F170 F228 N229 | S10-L49 WeakPolarHBondContact OG-CD2 3.33Å; L49-F168 HydrophobicContact CD1-CB 3.58Å; L49-F168 HydrophobicContact CD2-CB 4.27Å; L49-F168 HydrophobicContact CD2-CD1 4.3Å; L49-F168 HydrophobicContact CG-CB 4.07Å; L49-F168 HydrophobicContact CG-CD1 4.18Å; L49-H169 VanDerWaalsContact CD1-C 3.48Å; L49-H169 WeakPolarHBondContact CD1-O 3.39Å; L49-F170 HydrophobicContact CB-CD1 3.93Å; L49-F170 HydrophobicContact CB-CE1 3.85Å; L49-F170 HydrophobicContact CD1-CD1 3.67Å; L49-F170 HydrophobicContact CD1-CD2 3.81Å; L49-F170 HydrophobicContact CD1-CE1 3.66Å; L49-F170 HydrophobicContact CD1-CE2 3.79Å; L49-F170 HydrophobicContact CD1-CG 3.76Å; L49-F170 HydrophobicContact CD1-CZ 3.71Å; L49-F170 HydrophobicContact CD2-CE1 3.93Å; L49-F170 HydrophobicContact CD2-CZ 3.92Å; L49-F170 HydrophobicContact CG-CD1 4.3Å; L49-F170 HydrophobicContact CG-CE1 4.02Å; L49-F170 HydrophobicContact CG-CZ 4.29Å; L49-F228 WeakPolarHBondContact O-CA 3.39Å; L49-N229 HydrophobicContact CB-CB 3.83Å; L49-N229 HydrophobicContact CD2-CB 4.19Å; L49-N229 PolarHBondContact N-O 3.18Å; L49-N229 PolarHBondContact O-N 3.14Å |
| 50 | F | 88.1 | Confident | 77.4 | Confident | 30 Ų | 30 | 64.6 Ų | 64.6 | 13% | 0.132 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 150.5 | 169.5 | 54.7 | -82.4 | 0 | 0 | 0 | 111 | F48 W52 F168 H169 V171 R213 F228 | F48-F50 AromaticContact CD1-CD1 3.7Å; F48-F50 HydrophobicContact CD1-CD1 3.7Å; F48-F50 HydrophobicContact CD1-CE1 4.33Å; F48-F50 HydrophobicContact CE1-CB 4.04Å; F48-F50 AromaticContact CE1-CD1 3.63Å; F48-F50 HydrophobicContact CE1-CD1 3.63Å; F48-F50 HydrophobicContact CE1-CG 4.18Å; F48-F50 HydrophobicContact CZ-CB 4.28Å; F50-W52 PolarHBondContact O-N 3.13Å; F50-F168 WeakPolarHBondContact O-CA 3.18Å; F50-H169 HydrophobicContact CE2-CB 4.37Å; F50-H169 HydrophobicContact CZ-CB 4.28Å; F50-H169 AromaticContact CZ-CD2 3.88Å; F50-H169 PolarHBondContact N-O 3.25Å; F50-H169 VanDerWaalsContact N-O 3.13Å; F50-H169 PolarHBondContact O-N 3.43Å; F50-V171 HydrophobicContact CE1-CB 4.13Å; F50-V171 HydrophobicContact CE1-CG2 3.56Å; F50-V171 HydrophobicContact CZ-CG2 3.95Å; F50-R213 VanDerWaalsContact CZ-NH2 3.28Å; F50-F228 HydrophobicContact CB-CD1 3.58Å; F50-F228 HydrophobicContact CB-CE1 3.57Å |
| 51 | K | 84 | Confident | 75.9 | Confident | 39 Ų | 39 | 65.5 Ų | 65.5 | 17% | 0.17 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 122 | 167.4 | 179.3 | 177.4 | 173.7 | 176.4 | 0 | 110.2 | I53 E166 F168 R227 | K51-I53 HydrophobicContact CD-CD1 4.44Å; K51-I53 HydrophobicContact CD-CG1 4.33Å; K51-I53 HydrophobicContact CG-CD1 4.45Å; K51-I53 HydrophobicContact CG-CG1 4.03Å; K51-E166 HydrophobicContact CD-CB 4.43Å; K51-E166 WeakPolarHBondContact CD-OE2 3.27Å; K51-E166 VanDerWaalsContact CE-CD 3.45Å; K51-E166 WeakPolarHBondContact CE-OE2 3.39Å; K51-E166 IonicContact NZ-OE1 2.69Å; K51-E166 PolarHBondContact NZ-OE1 3.22Å; K51-E166 IonicContact NZ-OE2 3.51Å; K51-E166 PolarHBondContact NZ-OE2 3.35Å; K51-F168 HydrophobicContact CB-CD1 4.08Å; K51-F168 HydrophobicContact CB-CE1 3.85Å; K51-F168 HydrophobicContact CB-CZ 4.39Å; K51-R227 HydrophobicContact CB-CB 4.15Å; K51-R227 PolarHBondContact N-O 3.14Å |
| 52 | W | 73.9 | Confident | 73.8 | Confident | 79 Ų | 79 | 68.2 Ų | 68.2 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | trans | -75.9 | 126.4 | 175.9 | -171.9 | 84.9 | 0 | 0 | 0 | 109.5 | F50 E54 A167 H169 | F50-W52 PolarHBondContact O-N 3.13Å; W52-E54 HydrophobicContact CE3-CB 4.37Å; W52-E54 HydrophobicContact CH2-CB 3.74Å; W52-E54 HydrophobicContact CH2-CG 4.05Å; W52-E54 WeakPolarHBondContact CH2-OE2 3.27Å; W52-E54 HydrophobicContact CZ2-CB 4.37Å; W52-E54 WeakPolarHBondContact CZ2-OE2 3.48Å; W52-E54 HydrophobicContact CZ3-CB 3.74Å; W52-E54 HydrophobicContact CZ3-CG 4.47Å; W52-A167 HydrophobicContact CB-CB 4.3Å; W52-A167 WeakPolarHBondContact CB-O 3.3Å; W52-A167 HydrophobicContact CE3-CB 4.18Å; W52-A167 PolarHBondContact N-O 2.78Å; W52-H169 HydrophobicContact CB-CB 4.16Å; W52-H169 HydrophobicContact CG-CB 4.43Å | ||
| 53 | I | 70.4 | Confident | 71.6 | Confident | 50 Ų | 50 | 68.2 Ų | 68.2 | 26% | 0.256 | 31% | 0.309 | S | S | . | . | trans | -129.7 | 96 | -173.6 | -60.9 | 171.2 | 0 | 0 | 0 | 108.4 | K51 E55 R56 | K51-I53 HydrophobicContact CD-CD1 4.44Å; K51-I53 HydrophobicContact CD-CG1 4.33Å; K51-I53 HydrophobicContact CG-CD1 4.45Å; K51-I53 HydrophobicContact CG-CG1 4.03Å; I53-E55 HydrophobicContact CG2-CB 4.25Å; I53-E55 PolarHBondContact O-N 2.99Å; I53-R56 HydrophobicContact CB-CG 4.27Å; I53-R56 HydrophobicContact CG2-CB 4.37Å; I53-R56 HydrophobicContact CG2-CG 3.88Å; I53-R56 WeakPolarHBondContact O-CB 3.39Å; I53-R56 PolarHBondContact O-N 2.98Å | ||
| 54 | E | 65.7 | Low | 69.3 | Low | 90 Ų | 90 | 74 Ų | 74 | 42% | 0.421 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.7 | -25.7 | -177.5 | -179 | 50.7 | -160.6 | 0 | 0 | 113 | W52 R56 R57 S58 | W52-E54 HydrophobicContact CE3-CB 4.37Å; W52-E54 HydrophobicContact CH2-CB 3.74Å; W52-E54 HydrophobicContact CH2-CG 4.05Å; W52-E54 WeakPolarHBondContact CH2-OE2 3.27Å; W52-E54 HydrophobicContact CZ2-CB 4.37Å; W52-E54 WeakPolarHBondContact CZ2-OE2 3.48Å; W52-E54 HydrophobicContact CZ3-CB 3.74Å; W52-E54 HydrophobicContact CZ3-CG 4.47Å; E54-R56 PolarHBondContact O-N 2.97Å; E54-R57 PolarHBondContact O-N 3.02Å; E54-S58 VanDerWaalsContact O-CB 3.31Å; E54-S58 WeakPolarHBondContact O-CB 3.08Å; E54-S58 PolarHBondContact O-N 3.1Å; E54-S58 PolarHBondContact O-OG 3.42Å |
| 55 | E | 55 | Low | 67.1 | Low | 109 Ų | 109 | 78 Ų | 78 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63 | -28.4 | 172.2 | -153.2 | -164 | 146.4 | 0 | 0 | 112.4 | I53 S58 R59 | I53-E55 HydrophobicContact CG2-CB 4.25Å; I53-E55 PolarHBondContact O-N 2.99Å; E55-S58 WeakPolarHBondContact CA-OG 3.41Å; E55-R59 VanDerWaalsContact O-CB 3.29Å; E55-R59 WeakPolarHBondContact O-CB 3.3Å; E55-R59 VanDerWaalsContact O-CG 3.26Å; E55-R59 WeakPolarHBondContact O-CG 3.41Å; E55-R59 PolarHBondContact O-N 3.13Å; E55-R59 IonicContact OE1-CZ 2.68Å; E55-R59 IonicContact OE1-NE 3.27Å; E55-R59 PolarHBondContact OE1-NE 2.66Å; E55-R59 IonicContact OE1-NH2 3.32Å; E55-R59 PolarHBondContact OE1-NH2 3.13Å |
| 56 | R | 57.9 | Low | 65.4 | Low | 118 Ų | 118 | 80.4 Ų | 80.4 | 45% | 0.445 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -76 | -40.3 | 177.7 | -71.5 | 177.9 | 169 | 172.7 | -8 | 111.6 | I53 E54 R60 A217 | I53-R56 HydrophobicContact CB-CG 4.27Å; I53-R56 HydrophobicContact CG2-CB 4.37Å; I53-R56 HydrophobicContact CG2-CG 3.88Å; I53-R56 WeakPolarHBondContact O-CB 3.39Å; I53-R56 PolarHBondContact O-N 2.98Å; E54-R56 PolarHBondContact O-N 2.97Å; R56-R60 WeakPolarHBondContact O-CG 3.37Å; R56-R60 PolarHBondContact O-N 3.42Å; R56-A217 PolarHBondContact NH1-O 3.31Å; R56-A217 PolarHBondContact NH2-O 3.3Å |
| 57 | R | 55.1 | Low | 64 | Low | 70 Ų | 70 | 84.4 Ų | 84.4 | 26% | 0.264 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.4 | -44.8 | 172.3 | -76.4 | -174.6 | 174.9 | 174.8 | -1.8 | 111.3 | E54 R59 R60 D184 | E54-R57 PolarHBondContact O-N 3.02Å; R57-R59 PolarHBondContact O-N 3.06Å; R57-R60 CarbonylContact O-C 3.03Å; R57-R60 VanDerWaalsContact O-CA 3.31Å; R57-R60 WeakPolarHBondContact O-CA 3.33Å; R57-R60 WeakPolarHBondContact O-CB 3.21Å; R57-R60 PolarHBondContact O-N 2.93Å; R57-D184 IonicContact NH2-OD1 3.86Å; R57-D184 IonicContact NH2-OD2 2.68Å; R57-D184 PolarHBondContact NH2-OD2 2.94Å |
| 58 | S | 48.9 | Very low | 63 | Low | 39 Ų | 39 | 92.9 Ų | 92.9 | 27% | 0.273 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -74.8 | -15.7 | -179.6 | 62.7 | 0 | 0 | 0 | 0 | 115.5 | E54 E55 K61 | E54-S58 VanDerWaalsContact O-CB 3.31Å; E54-S58 WeakPolarHBondContact O-CB 3.08Å; E54-S58 PolarHBondContact O-N 3.1Å; E54-S58 PolarHBondContact O-OG 3.42Å; E55-S58 WeakPolarHBondContact CA-OG 3.41Å; S58-K61 WeakPolarHBondContact O-CB 3.47Å; S58-K61 VanDerWaalsContact O-CD 3.28Å; S58-K61 WeakPolarHBondContact O-CD 3.35Å; S58-K61 VanDerWaalsContact O-CG 3.23Å; S58-K61 WeakPolarHBondContact O-CG 3.07Å |
| 59 | R | 51 | Low | 62.6 | Low | 195 Ų | 195 | 96.1 Ų | 96.1 | 74% | 0.736 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -77.3 | -37.5 | 161.2 | -78.1 | 179.1 | -174.5 | -102.2 | 2.5 | 112.1 | E55 R57 K61 | E55-R59 VanDerWaalsContact O-CB 3.29Å; E55-R59 WeakPolarHBondContact O-CB 3.3Å; E55-R59 VanDerWaalsContact O-CG 3.26Å; E55-R59 WeakPolarHBondContact O-CG 3.41Å; E55-R59 PolarHBondContact O-N 3.13Å; E55-R59 IonicContact OE1-CZ 2.68Å; E55-R59 IonicContact OE1-NE 3.27Å; E55-R59 PolarHBondContact OE1-NE 2.66Å; E55-R59 IonicContact OE1-NH2 3.32Å; E55-R59 PolarHBondContact OE1-NH2 3.13Å; R57-R59 PolarHBondContact O-N 3.06Å; R59-K61 PolarHBondContact O-N 3.27Å |
| 60 | R | 52.2 | Low | 62.6 | Low | 188 Ų | 188 | 96.5 Ų | 96.5 | 71% | 0.709 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -75 | 55.2 | 164.2 | -62.9 | -177 | -165.6 | 165.4 | 1.4 | 110.5 | R56 R57 V62 S63 | R56-R60 WeakPolarHBondContact O-CG 3.37Å; R56-R60 PolarHBondContact O-N 3.42Å; R57-R60 CarbonylContact O-C 3.03Å; R57-R60 VanDerWaalsContact O-CA 3.31Å; R57-R60 WeakPolarHBondContact O-CA 3.33Å; R57-R60 WeakPolarHBondContact O-CB 3.21Å; R57-R60 PolarHBondContact O-N 2.93Å; R60-V62 CarbonylContact O-C 3.52Å; R60-V62 PolarHBondContact O-N 3.38Å; R60-S63 PolarHBondContact O-N 3.39Å |
| 61 | K | 43.7 | Very low | 62.8 | Low | 175 Ų | 175 | 96 Ų | 96 | 76% | 0.761 | 47% | 0.472 | S | S | * | . | trans | -72.6 | 28.9 | -177.2 | -121.2 | 172.3 | -167.6 | 174.5 | 0 | 114.5 | S58 R59 | S58-K61 WeakPolarHBondContact O-CB 3.47Å; S58-K61 VanDerWaalsContact O-CD 3.28Å; S58-K61 WeakPolarHBondContact O-CD 3.35Å; S58-K61 VanDerWaalsContact O-CG 3.23Å; S58-K61 WeakPolarHBondContact O-CG 3.07Å; R59-K61 PolarHBondContact O-N 3.27Å | ||
| 62 | V | 38.6 | Very low | 63.1 | Low | 89 Ų | 89 | 98.5 Ų | 98.5 | 54% | 0.539 | 49% | 0.486 | S | S | . | . | trans | -121.7 | 45.9 | 165.4 | -155.6 | 0 | 0 | 0 | 0 | 107.3 | R60 T64 L65 | R60-V62 CarbonylContact O-C 3.52Å; R60-V62 PolarHBondContact O-N 3.38Å; V62-T64 PolarHBondContact O-N 3.15Å; V62-L65 HydrophobicContact CB-CB 4.42Å; V62-L65 HydrophobicContact CG1-CB 3.84Å; V62-L65 HydrophobicContact CG1-CD1 4.01Å; V62-L65 HydrophobicContact CG1-CG 3.99Å; V62-L65 WeakPolarHBondContact O-CB 3.46Å; V62-L65 PolarHBondContact O-N 3.46Å | ||
| 63 | S | 46.7 | Very low | 64 | Low | 96 Ų | 96 | 98.6 Ų | 98.6 | 67% | 0.671 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 16.1 | 178.9 | -166.8 | 0 | 0 | 0 | 0 | 113.5 | R60 | R60-S63 PolarHBondContact O-N 3.39Š|
| 64 | T | 46.8 | Very low | 65.1 | Low | 131 Ų | 131 | 101 Ų | 101 | 80% | 0.804 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | 0.3 | 168.4 | 59.2 | 0 | 0 | 0 | 0 | 111.7 | V62 V66 | V62-T64 PolarHBondContact O-N 3.15Å; T64-V66 PolarHBondContact O-N 3.36Å |
| 65 | L | 50.4 | Low | 66.4 | Low | 125 Ų | 125 | 102.5 Ų | 102.5 | 65% | 0.654 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -70.5 | 117.1 | 156.2 | -118.2 | 174.6 | 0 | 0 | 0 | 105.6 | V62 D67 | V62-L65 HydrophobicContact CB-CB 4.42Å; V62-L65 HydrophobicContact CG1-CB 3.84Å; V62-L65 HydrophobicContact CG1-CD1 4.01Å; V62-L65 HydrophobicContact CG1-CG 3.99Å; V62-L65 WeakPolarHBondContact O-CB 3.46Å; V62-L65 PolarHBondContact O-N 3.46Å; L65-D67 PolarHBondContact O-N 3.03Å |
| 66 | V | 61.4 | Low | 68.3 | Low | 51 Ų | 51 | 101.2 Ų | 101.2 | 31% | 0.309 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 121.7 | 167 | -178.2 | 0 | 0 | 0 | 0 | 106.3 | T64 S70 I72 Y189 | T64-V66 PolarHBondContact O-N 3.36Å; V66-S70 VanDerWaalsContact CG1-CB 3.41Å; V66-I72 HydrophobicContact CG1-CD1 3.83Å; V66-I72 HydrophobicContact CG1-CG1 3.89Å; V66-Y189 HydrophobicContact CG2-CE2 4.3Å |
| 67 | D | 67.8 | Low | 70 | Confident | 85 Ų | 85 | 95.7 Ų | 95.7 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -60 | 138.4 | 171.6 | -69.5 | -42.5 | 0 | 0 | 0 | 107.5 | L65 T69 S70 I191 | L65-D67 PolarHBondContact O-N 3.03Å; D67-T69 PolarHBondContact O-N 3.28Å; D67-S70 PolarHBondContact N-OG 2.99Å; D67-S70 VanDerWaalsContact O-CB 3.28Å; D67-S70 WeakPolarHBondContact O-CB 3.18Å; D67-S70 PolarHBondContact O-N 2.81Å; D67-S70 PolarHBondContact O-OG 2.89Å; D67-I191 HydrophobicContact CB-CD1 4.42Å |
| 68 | D | 77.4 | Confident | 71.9 | Confident | 177 Ų | 177 | 93.8 Ų | 93.8 | 95% | 0.947 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -14.8 | -174.8 | -62.3 | -46.4 | 0 | 0 | 0 | 114.2 | ||
| 69 | T | 87.5 | Confident | 74 | Confident | 69 Ų | 69 | 98.1 Ų | 98.1 | 42% | 0.423 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 2.8 | 176 | 51.8 | 0 | 0 | 0 | 0 | 114.1 | D67 I191 D192 | D67-T69 PolarHBondContact O-N 3.28Å; T69-I191 WeakPolarHBondContact O-CA 2.94Å; T69-I191 WeakPolarHBondContact OG1-CG2 3.42Å; T69-D192 WeakPolarHBondContact CB-O 3.48Å; T69-D192 PolarHBondContact O-N 2.96Å |
| 70 | S | 91.2 | Very high | 76.1 | Confident | 22 Ų | 22 | 89.5 Ų | 89.5 | 15% | 0.154 | 48% | 0.475 | C | S | . | . | B | Isolated β-bridge | trans | -81.7 | 135.1 | -179.8 | -45.1 | 0 | 0 | 0 | 0 | 111.4 | V66 D67 I72 | V66-S70 VanDerWaalsContact CG1-CB 3.41Å; D67-S70 PolarHBondContact N-OG 2.99Å; D67-S70 VanDerWaalsContact O-CB 3.28Å; D67-S70 WeakPolarHBondContact O-CB 3.18Å; D67-S70 PolarHBondContact O-N 2.81Å; D67-S70 PolarHBondContact O-OG 2.89Å; S70-I72 PolarHBondContact O-N 3.47Å |
| 71 | V | 92.3 | Very high | 78.3 | Confident | 18 Ų | 18 | 81.1 Ų | 81.1 | 11% | 0.109 | 44% | 0.444 | C | S | . | . | trans | -86 | 106.8 | 172 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | D73 I76 V77 F181 Y189 P190 D192 | V71-D73 HydrophobicContact CG1-CB 4.17Å; V71-I76 HydrophobicContact CG1-CB 3.87Å; V71-I76 HydrophobicContact CG1-CD1 4.37Å; V71-I76 HydrophobicContact CG1-CG2 3.83Å; V71-V77 HydrophobicContact CB-CG2 4.32Å; V71-V77 HydrophobicContact CG1-CG2 4.01Å; V71-V77 VanDerWaalsContact O-CG2 3.23Å; V71-V77 WeakPolarHBondContact O-CG2 3.43Å; V71-F181 HydrophobicContact CG2-CE1 3.88Å; V71-Y189 VanDerWaalsContact O-CD1 3.3Å; V71-Y189 WeakPolarHBondContact O-CD1 3.41Å; V71-P190 HydrophobicContact CB-CG 4.33Å; V71-P190 PolarHBondContact N-O 3.23Å; V71-D192 HydrophobicContact CG2-CB 3.85Å | ||
| 72 | I | 92.1 | Very high | 80.9 | Confident | 92 Ų | 92 | 72.8 Ų | 72.8 | 47% | 0.472 | 41% | 0.408 | S | S | . | . | trans | -85.1 | -21.2 | 178 | -34.7 | 178.6 | 0 | 0 | 0 | 111.7 | V66 S70 D74 Y189 | V66-I72 HydrophobicContact CG1-CD1 3.83Å; V66-I72 HydrophobicContact CG1-CG1 3.89Å; S70-I72 PolarHBondContact O-N 3.47Å; I72-D74 PolarHBondContact O-N 3.1Å; I72-D74 VanDerWaalsContact O-N 3.12Å; I72-Y189 HydrophobicContact CB-CE1 4.49Å; I72-Y189 HydrophobicContact CG2-CE1 3.91Å; I72-Y189 HydrophobicContact CG2-CE2 4.36Å | ||
| 73 | D | 92.9 | Very high | 83.7 | Confident | 81 Ų | 81 | 68.6 Ų | 68.6 | 43% | 0.433 | 38% | 0.382 | S | S | . | . | trans | -66.1 | 107.7 | -175.3 | -173.4 | -42.8 | 0 | 0 | 0 | 111 | V71 D75 I76 V77 | V71-D73 HydrophobicContact CG1-CB 4.17Å; D73-D75 VanDerWaalsContact C-N 3.26Å; D73-D75 PolarHBondContact O-N 2.68Å; D73-D75 WeakPolarHBondContact OD1-CB 3.46Å; D73-D75 PolarHBondContact OD1-N 3.05Å; D73-I76 HydrophobicContact CB-CB 4.18Å; D73-I76 HydrophobicContact CB-CD1 3.88Å; D73-I76 HydrophobicContact CB-CG1 3.98Å; D73-I76 PolarHBondContact O-N 3.46Å; D73-I76 VanDerWaalsContact O-N 3.13Å; D73-I76 PolarHBondContact OD1-N 2.98Å; D73-V77 VanDerWaalsContact O-CG2 3.31Å; D73-V77 WeakPolarHBondContact O-CG2 3.32Å; D73-V77 PolarHBondContact O-N 3.25Å | ||
| 74 | D | 93 | Very high | 86.1 | Confident | 100 Ų | 100 | 65.9 Ų | 65.9 | 54% | 0.535 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.5 | -33.6 | -178 | -82.5 | -43.1 | 0 | 0 | 0 | 112.5 | I72 V77 N78 | I72-D74 PolarHBondContact O-N 3.1Å; I72-D74 VanDerWaalsContact O-N 3.12Å; D74-V77 PolarHBondContact O-N 3.34Å; D74-N78 WeakPolarHBondContact O-CB 3.41Å; D74-N78 PolarHBondContact O-N 3.11Å; D74-N78 PolarHBondContact O-ND2 2.99Å |
| 75 | D | 93.4 | Very high | 88.4 | Confident | 122 Ų | 122 | 60.9 Ų | 60.9 | 65% | 0.652 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -68.7 | -40.6 | 177.8 | -80.1 | -31 | 0 | 0 | 0 | 110.5 | D73 N79 | D73-D75 VanDerWaalsContact C-N 3.26Å; D73-D75 PolarHBondContact O-N 2.68Å; D73-D75 WeakPolarHBondContact OD1-CB 3.46Å; D73-D75 PolarHBondContact OD1-N 3.05Å; D75-N79 VanDerWaalsContact O-CB 3.32Å; D75-N79 WeakPolarHBondContact O-CB 3.38Å; D75-N79 PolarHBondContact O-N 3Å; D75-N79 VanDerWaalsContact O-N 3.14Å; D75-N79 PolarHBondContact O-ND2 3.22Å |
| 76 | I | 93.4 | Very high | 90.4 | Very high | 83 Ų | 83 | 57.9 Ų | 57.9 | 43% | 0.426 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.6 | -43.7 | 175.8 | -56.6 | 178 | 0 | 0 | 0 | 110.7 | V71 D73 M80 | V71-I76 HydrophobicContact CG1-CB 3.87Å; V71-I76 HydrophobicContact CG1-CD1 4.37Å; V71-I76 HydrophobicContact CG1-CG2 3.83Å; D73-I76 HydrophobicContact CB-CB 4.18Å; D73-I76 HydrophobicContact CB-CD1 3.88Å; D73-I76 HydrophobicContact CB-CG1 3.98Å; D73-I76 PolarHBondContact O-N 3.46Å; D73-I76 VanDerWaalsContact O-N 3.13Å; D73-I76 PolarHBondContact OD1-N 2.98Å; I76-M80 HydrophobicContact CG2-CE 3.98Å; I76-M80 PolarHBondContact O-N 2.92Å |
| 77 | V | 95.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.4 | -38.1 | 180 | 174.3 | 0 | 0 | 0 | 0 | 112.3 | V71 D73 D74 M80 F82 P124 P190 | V71-V77 HydrophobicContact CB-CG2 4.32Å; V71-V77 HydrophobicContact CG1-CG2 4.01Å; V71-V77 VanDerWaalsContact O-CG2 3.23Å; V71-V77 WeakPolarHBondContact O-CG2 3.43Å; D73-V77 VanDerWaalsContact O-CG2 3.31Å; D73-V77 WeakPolarHBondContact O-CG2 3.32Å; D73-V77 PolarHBondContact O-N 3.25Å; D74-V77 PolarHBondContact O-N 3.34Å; V77-M80 VanDerWaalsContact O-CG 3.3Å; V77-M80 WeakPolarHBondContact O-CG 3.39Å; V77-M80 VanDerWaalsContact O-O 3.14Å; V77-F82 HydrophobicContact CG1-CD1 4.05Å; V77-P124 HydrophobicContact CG1-CG 3.45Å; V77-P124 VanDerWaalsContact CG1-CG 3.45Å; V77-P190 HydrophobicContact CG2-CG 3.88Å |
| 78 | N | 94.4 | Very high | 92.8 | Very high | 29 Ų | 29 | 57.9 Ų | 57.9 | 16% | 0.155 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -79.1 | -26.6 | -177.6 | -66.2 | -30.4 | 0 | 0 | 0 | 112.7 | D74 G121 F122 S123 K127 | D74-N78 WeakPolarHBondContact O-CB 3.41Å; D74-N78 PolarHBondContact O-N 3.11Å; D74-N78 PolarHBondContact O-ND2 2.99Å; N78-G121 PolarHBondContact O-N 3.47Å; N78-F122 PolarHBondContact OD1-O 2.88Å; N78-F122 VanDerWaalsContact OD1-O 3.13Å; N78-S123 WeakPolarHBondContact OD1-CA 3.47Å; N78-K127 PolarHBondContact O-NZ 3.16Å |
| 79 | N | 93.9 | Very high | 93.5 | Very high | 131 Ų | 131 | 52.7 Ų | 52.7 | 70% | 0.701 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -72.2 | -31.6 | 172.1 | -83.7 | -59.3 | 0 | 0 | 0 | 113.6 | D75 | D75-N79 VanDerWaalsContact O-CB 3.32Å; D75-N79 WeakPolarHBondContact O-CB 3.38Å; D75-N79 PolarHBondContact O-N 3Å; D75-N79 VanDerWaalsContact O-N 3.14Å; D75-N79 PolarHBondContact O-ND2 3.22Å |
| 80 | M | 94.9 | Very high | 93.8 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 6% | 0.064 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -84 | 159.1 | 171.8 | 71.2 | 174.2 | 79.3 | 0 | 0 | 112.4 | I76 V77 F82 K127 I176 F181 L183 P190 | I76-M80 HydrophobicContact CG2-CE 3.98Å; I76-M80 PolarHBondContact O-N 2.92Å; V77-M80 VanDerWaalsContact O-CG 3.3Å; V77-M80 WeakPolarHBondContact O-CG 3.39Å; V77-M80 VanDerWaalsContact O-O 3.14Å; M80-F82 HydrophobicContact CG-CB 4.05Å; M80-F82 PolarHBondContact O-N 3.21Å; M80-F82 VanDerWaalsContact O-N 3.16Å; M80-F82 HydrophobicContact SD-CB 4.13Å; M80-K127 PolarHBondContact O-NZ 3.38Å; M80-I176 HydrophobicContact CB-CD1 4.1Å; M80-I176 HydrophobicContact SD-CD1 4.41Å; M80-F181 HydrophobicContact CE-CD1 4.03Å; M80-F181 HydrophobicContact CE-CE1 3.73Å; M80-F181 HydrophobicContact CE-CZ 4.12Å; M80-L183 HydrophobicContact SD-CD2 4.11Å; M80-P190 HydrophobicContact CE-CG 4.14Å; M80-P190 HydrophobicContact SD-CB 4.01Å; M80-P190 HydrophobicContact SD-CG 3.78Å |
| 81 | F | 97.2 | Very high | 93.9 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | trans | -84.4 | 84.4 | 168 | -163.9 | -86.1 | 0 | 0 | 0 | 110.3 | A83 L97 L101 N102 T119 K127 I131 | F81-A83 HydrophobicContact CE1-CB 4.04Å; F81-A83 HydrophobicContact CZ-CB 4.29Å; F81-L97 HydrophobicContact CE1-CB 4.43Å; F81-L101 HydrophobicContact CB-CB 3.85Å; F81-L101 HydrophobicContact CD1-CB 3.8Å; F81-L101 HydrophobicContact CD1-CD1 3.86Å; F81-L101 HydrophobicContact CD1-CG 4.39Å; F81-L101 HydrophobicContact CD2-CB 3.99Å; F81-L101 HydrophobicContact CD2-CD1 3.78Å; F81-L101 HydrophobicContact CE1-CB 4.42Å; F81-L101 HydrophobicContact CE1-CD1 3.61Å; F81-L101 HydrophobicContact CE2-CD1 3.52Å; F81-L101 HydrophobicContact CG-CB 3.56Å; F81-L101 HydrophobicContact CG-CD1 3.95Å; F81-L101 HydrophobicContact CG-CG 4.4Å; F81-L101 HydrophobicContact CZ-CD1 3.44Å; F81-L101 VanDerWaalsContact CZ-CD1 3.44Å; F81-N102 PolarHBondContact N-OD1 3.06Å; F81-N102 PolarHBondContact O-ND2 3.01Å; F81-T119 WeakPolarHBondContact CE2-OG1 3.4Å; F81-K127 HydrophobicContact CE2-CG 4.3Å; F81-I131 HydrophobicContact CE1-CD1 4.14Å; F81-I131 HydrophobicContact CZ-CD1 3.98Å; F81-I131 HydrophobicContact CZ-CG1 4.35Å | ||
| 82 | F | 97.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | trans | -114.8 | 131.3 | 166.4 | 175.6 | -117.9 | 0 | 0 | 0 | 109.2 | V77 M80 H84 P124 K127 L183 P190 | V77-F82 HydrophobicContact CG1-CD1 4.05Å; M80-F82 HydrophobicContact CG-CB 4.05Å; M80-F82 PolarHBondContact O-N 3.21Å; M80-F82 VanDerWaalsContact O-N 3.16Å; M80-F82 HydrophobicContact SD-CB 4.13Å; F82-H84 AromaticContact CE1-CD2 3.92Å; F82-H84 AromaticContact CE1-NE2 3.86Å; F82-P124 HydrophobicContact CD1-CB 3.73Å; F82-P124 HydrophobicContact CD1-CG 3.61Å; F82-P124 HydrophobicContact CE1-CB 3.97Å; F82-P124 HydrophobicContact CE1-CG 4.07Å; F82-P124 WeakPolarHBondContact O-CA 3.38Å; F82-K127 WeakPolarHBondContact O-CD 3.06Å; F82-L183 HydrophobicContact CB-CD2 4.29Å; F82-L183 HydrophobicContact CD2-CB 4.11Å; F82-L183 HydrophobicContact CD2-CD2 3.86Å; F82-L183 HydrophobicContact CD2-CG 4.5Å; F82-L183 HydrophobicContact CG-CD2 4.37Å; F82-P190 HydrophobicContact CD1-CB 4.27Å; F82-P190 HydrophobicContact CD1-CG 4.11Å; F82-P190 HydrophobicContact CD2-CB 4.15Å; F82-P190 HydrophobicContact CE2-CB 4.43Å; F82-P190 HydrophobicContact CG-CB 4.06Å; F82-P190 HydrophobicContact CG-CG 4.26Å | ||
| 83 | A | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -135.8 | 135.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F81 P124 K127 I131 | F81-A83 HydrophobicContact CE1-CB 4.04Å; F81-A83 HydrophobicContact CZ-CB 4.29Å; A83-P124 WeakPolarHBondContact CA-O 3.49Å; A83-K127 HydrophobicContact CB-CB 3.69Å; A83-I131 HydrophobicContact CB-CD1 3.76Å | ||
| 84 | H | 97.3 | Very high | 94.5 | Very high | 39 Ų | 39 | 40.5 Ų | 40.5 | 18% | 0.181 | 22% | 0.218 | C | C | . | . | trans | -76.6 | 135.9 | 173.2 | -64.2 | 157.9 | 0 | 0 | 0 | 110.5 | F82 L86 P124 E125 G128 K187 V188 | F82-H84 AromaticContact CE1-CD2 3.92Å; F82-H84 AromaticContact CE1-NE2 3.86Å; H84-L86 HydrophobicContact CB-CD2 3.92Å; H84-L86 HydrophobicContact CB-CG 4.47Å; H84-L86 PolarHBondContact O-N 3.12Å; H84-P124 PolarHBondContact N-O 2.85Å; H84-E125 PolarHBondContact ND1-N 3.38Å; H84-G128 WeakPolarHBondContact O-CA 3.12Å; H84-K187 PolarHBondContact CD2-O 3.48Å; H84-K187 VanDerWaalsContact CD2-O 3.27Å; H84-K187 PolarHBondContact NE2-O 3.49Å; H84-V188 PolarHBondContact NE2-O 3.41Å | ||
| 85 | Q | 95.5 | Very high | 94.7 | Very high | 27 Ų | 27 | 36 Ų | 36 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | trans | -82.1 | 84 | 178.9 | -170.5 | -161.1 | -36.3 | 0 | 0 | 110.4 | I87 C91 G185 L186 | Q85-I87 PolarHBondContact NE2-O 3.07Å; Q85-I87 VanDerWaalsContact NE2-O 3.14Å; Q85-C91 VanDerWaalsContact OE1-CB 3.22Å; Q85-G185 PolarHBondContact N-O 3.47Å; Q85-L186 HydrophobicContact CB-CD2 4.29Å | ||
| 86 | L | 92.8 | Very high | 94.9 | Very high | 61 Ų | 61 | 30.2 Ų | 30.2 | 32% | 0.319 | 16% | 0.164 | S | C | . | . | trans | -77.1 | -21.5 | -179.3 | -53.2 | -175.8 | 0 | 0 | 0 | 113.5 | H84 E125 Y129 | H84-L86 HydrophobicContact CB-CD2 3.92Å; H84-L86 HydrophobicContact CB-CG 4.47Å; H84-L86 PolarHBondContact O-N 3.12Å; L86-E125 HydrophobicContact CD1-CG 3.83Å; L86-E125 WeakPolarHBondContact CD1-O 3.29Å; L86-E125 HydrophobicContact CD2-CG 4.21Å; L86-Y129 HydrophobicContact CD1-CD1 3.65Å; L86-Y129 HydrophobicContact CD1-CD2 3.56Å; L86-Y129 HydrophobicContact CD1-CE1 3.6Å; L86-Y129 HydrophobicContact CD1-CE2 3.52Å; L86-Y129 HydrophobicContact CD1-CG 3.61Å | ||
| 87 | I | 90.3 | Very high | 95.2 | Very high | 46 Ų | 46 | 26.2 Ų | 26.2 | 24% | 0.236 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -102.9 | 128.1 | -175.5 | -50.5 | -57.2 | 0 | 0 | 0 | 110.3 | W5 Q85 S90 | W5-I87 HydrophobicContact CB-CG2 4.26Å; W5-I87 HydrophobicContact CD2-CG2 4.47Å; W5-I87 HydrophobicContact CG-CG2 3.85Å; Q85-I87 PolarHBondContact NE2-O 3.07Å; Q85-I87 VanDerWaalsContact NE2-O 3.14Å; I87-S90 PolarHBondContact O-OG 3.26Å |
| 88 | P | 89.8 | Confident | 95.3 | Very high | 91 Ų | 91 | 26.4 Ų | 26.4 | 59% | 0.591 | 15% | 0.145 | S | C | * | . | S | Bend | trans | -59.4 | 155.4 | 174.5 | 26.1 | -34.9 | 0 | 0 | 0 | 111.5 | S90 | P88-S90 PolarHBondContact O-N 3.27Š|
| 89 | N | 90.6 | Very high | 95.5 | Very high | 67 Ų | 67 | 25 Ų | 25 | 36% | 0.358 | 14% | 0.137 | S | C | . | . | S | Bend | trans | 62.2 | -23.7 | -179 | -51.2 | -20.4 | 0 | 0 | 0 | 116.7 | W5 L6 C91 | W5-N89 WeakPolarHBondContact O-CB 3.27Å; W5-N89 PolarHBondContact O-ND2 3.43Å; L6-N89 WeakPolarHBondContact O-CB 3.38Å; N89-C91 PolarHBondContact O-N 3.46Å; N89-C91 PolarHBondContact O-SG 2.9Å |
| 90 | S | 94.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 5.4 | -179.1 | 74.1 | 0 | 0 | 0 | 0 | 116.3 | W5 I87 P88 A92 T93 H94 | W5-S90 VanDerWaalsContact CE3-CB 3.42Å; I87-S90 PolarHBondContact O-OG 3.26Å; P88-S90 PolarHBondContact O-N 3.27Å; S90-A92 PolarHBondContact O-N 3.49Å; S90-T93 PolarHBondContact O-N 3.44Å; S90-H94 PolarHBondContact O-N 3.41Å; S90-H94 PolarHBondContact O-ND1 2.64Å; S90-H94 PolarHBondContact OG-CE1 3.35Å; S90-H94 PolarHBondContact OG-ND1 3.2Å |
| 91 | C | 93.9 | Very high | 95.8 | Very high | 20 Ų | 20 | 18.3 Ų | 18.3 | 14% | 0.135 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -54.7 | -45.5 | -177 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | Q85 N89 T93 H94 A95 F170 | Q85-C91 VanDerWaalsContact OE1-CB 3.22Å; N89-C91 PolarHBondContact O-N 3.46Å; N89-C91 PolarHBondContact O-SG 2.9Å; C91-T93 VanDerWaalsContact C-N 3.34Å; C91-T93 PolarHBondContact O-N 2.88Å; C91-H94 PolarHBondContact O-N 2.92Å; C91-A95 WeakPolarHBondContact O-CB 3.29Å; C91-A95 PolarHBondContact O-N 3.43Å; C91-F170 HydrophobicContact CB-CD2 4.1Å |
| 92 | A | 95.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.4 | -46.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L8 F15 S90 L96 F170 | L8-A92 HydrophobicContact CB-CB 4.24Å; L8-A92 HydrophobicContact CD1-CB 4.11Å; F15-A92 HydrophobicContact CE1-CB 4.15Å; F15-A92 HydrophobicContact CE2-CB 4.12Å; F15-A92 HydrophobicContact CZ-CB 3.49Å; F15-A92 VanDerWaalsContact CZ-CB 3.49Å; S90-A92 PolarHBondContact O-N 3.49Å; A92-L96 WeakPolarHBondContact O-CB 3.39Å; A92-L96 PolarHBondContact O-N 3.01Å; A92-L96 VanDerWaalsContact O-N 3.08Å; A92-F170 HydrophobicContact CB-CD2 4.21Å; A92-F170 HydrophobicContact CB-CE2 3.93Å; A92-F170 HydrophobicContact CB-CZ 4.46Å |
| 93 | T | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.4 | -41.4 | 177.2 | -66.6 | 0 | 0 | 0 | 0 | 112.1 | W5 F22 S90 C91 A95 L96 L97 H141 | W5-T93 HydrophobicContact CH2-CG2 4.08Å; W5-T93 HydrophobicContact CZ3-CG2 3.87Å; F22-T93 HydrophobicContact CE2-CG2 4.08Å; F22-T93 HydrophobicContact CZ-CG2 3.61Å; S90-T93 PolarHBondContact O-N 3.44Å; C91-T93 VanDerWaalsContact C-N 3.34Å; C91-T93 PolarHBondContact O-N 2.88Å; T93-A95 VanDerWaalsContact C-N 3.33Å; T93-A95 PolarHBondContact O-N 2.94Å; T93-L96 PolarHBondContact O-N 3.37Å; T93-L97 HydrophobicContact CG2-CD1 3.61Å; T93-L97 HydrophobicContact CG2-CG 4.01Å; T93-L97 WeakPolarHBondContact O-CB 3.46Å; T93-L97 WeakPolarHBondContact O-CG 3.32Å; T93-L97 PolarHBondContact O-N 2.82Å; T93-H141 PolarHBondContact OG1-ND1 3.43Å |
| 94 | H | 96.6 | Very high | 95 | Very high | 6 Ų | 6 | 25.2 Ų | 25.2 | 3% | 0.028 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 175.9 | -83.8 | 75.8 | 0 | 0 | 0 | 111.9 | S90 C91 S98 | S90-H94 PolarHBondContact O-N 3.41Å; S90-H94 PolarHBondContact O-ND1 2.64Å; S90-H94 PolarHBondContact OG-CE1 3.35Å; S90-H94 PolarHBondContact OG-ND1 3.2Å; C91-H94 PolarHBondContact O-N 2.92Å; H94-S98 VanDerWaalsContact O-CB 3.3Å; H94-S98 WeakPolarHBondContact O-CB 3.19Å; H94-S98 PolarHBondContact O-N 2.75Å; H94-S98 PolarHBondContact O-OG 3.37Å |
| 95 | A | 97.7 | Very high | 94.5 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.5 | -46.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | I47 C91 T93 L97 S98 V99 F170 S172 | I47-A95 HydrophobicContact CG2-CB 4.11Å; C91-A95 WeakPolarHBondContact O-CB 3.29Å; C91-A95 PolarHBondContact O-N 3.43Å; T93-A95 VanDerWaalsContact C-N 3.33Å; T93-A95 PolarHBondContact O-N 2.94Å; A95-L97 PolarHBondContact O-N 2.96Å; A95-S98 PolarHBondContact O-N 2.82Å; A95-V99 PolarHBondContact O-N 2.95Å; A95-V99 VanDerWaalsContact O-N 3.13Å; A95-F170 HydrophobicContact CB-CB 3.63Å; A95-S172 WeakPolarHBondContact CA-OG 3.45Å; A95-S172 WeakPolarHBondContact CB-OG 2.86Å; A95-S172 PolarHBondContact O-OG 2.95Å |
| 96 | L | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 178.6 | -177.6 | 59.7 | 0 | 0 | 0 | 112.5 | L18 V19 F22 V29 I47 A92 T93 V99 L100 V233 | L18-L96 HydrophobicContact CD2-CD2 3.97Å; L18-L96 HydrophobicContact CG-CD2 4.17Å; V19-L96 HydrophobicContact CG2-CD1 3.77Å; V19-L96 HydrophobicContact CG2-CD2 3.76Å; V19-L96 HydrophobicContact CG2-CG 4.2Å; F22-L96 HydrophobicContact CE2-CD2 4.01Å; V29-L96 HydrophobicContact CG2-CD1 4.45Å; I47-L96 HydrophobicContact CD1-CB 4.19Å; I47-L96 HydrophobicContact CD1-CD1 3.98Å; A92-L96 WeakPolarHBondContact O-CB 3.39Å; A92-L96 PolarHBondContact O-N 3.01Å; A92-L96 VanDerWaalsContact O-N 3.08Å; T93-L96 PolarHBondContact O-N 3.37Å; L96-V99 PolarHBondContact O-N 3.43Å; L96-L100 HydrophobicContact CD1-CD1 4.08Å; L96-L100 HydrophobicContact CD1-CG 4.37Å; L96-L100 HydrophobicContact CG-CD1 3.91Å; L96-L100 WeakPolarHBondContact O-CG 3.39Å; L96-L100 PolarHBondContact O-N 3.22Å; L96-V233 HydrophobicContact CD1-CG2 4.38Å |
| 97 | L | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 174.4 | -67.1 | 173.6 | 0 | 0 | 0 | 112 | F22 F81 T93 A95 V99 L100 L101 L112 I131 L137 | F22-L97 HydrophobicContact CD2-CD2 4.43Å; F22-L97 HydrophobicContact CE2-CD2 4.24Å; F81-L97 HydrophobicContact CE1-CB 4.43Å; T93-L97 HydrophobicContact CG2-CD1 3.61Å; T93-L97 HydrophobicContact CG2-CG 4.01Å; T93-L97 WeakPolarHBondContact O-CB 3.46Å; T93-L97 WeakPolarHBondContact O-CG 3.32Å; T93-L97 PolarHBondContact O-N 2.82Å; A95-L97 PolarHBondContact O-N 2.96Å; L97-V99 PolarHBondContact O-N 3.05Å; L97-L100 PolarHBondContact O-N 3.27Å; L97-L101 HydrophobicContact CB-CD1 4.18Å; L97-L101 HydrophobicContact CD2-CD1 4.29Å; L97-L101 VanDerWaalsContact O-CB 3.28Å; L97-L101 WeakPolarHBondContact O-CB 3.47Å; L97-L101 WeakPolarHBondContact O-CG 3.47Å; L97-L101 PolarHBondContact O-N 2.77Å; L97-L112 HydrophobicContact CD2-CD1 3.81Å; L97-L112 HydrophobicContact CD2-CD2 3.47Å; L97-L112 VanDerWaalsContact CD2-CD2 3.47Å; L97-L112 HydrophobicContact CD2-CG 4.31Å; L97-I131 HydrophobicContact CD1-CD1 4.03Å; L97-I131 HydrophobicContact CD1-CG1 3.95Å; L97-I131 HydrophobicContact CD1-CG2 3.88Å; L97-L137 HydrophobicContact CD1-CD1 3.94Å |
| 98 | S | 97.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.2 | -23.9 | 176.1 | -60 | 0 | 0 | 0 | 0 | 112.9 | H94 A95 N102 | H94-S98 VanDerWaalsContact O-CB 3.3Å; H94-S98 WeakPolarHBondContact O-CB 3.19Å; H94-S98 PolarHBondContact O-N 2.75Å; H94-S98 PolarHBondContact O-OG 3.37Å; A95-S98 PolarHBondContact O-N 2.82Å; S98-N102 PolarHBondContact O-ND2 3.38Å |
| 99 | V | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -79.3 | -61.3 | 166.4 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | I47 A95 L96 L97 L101 N102 C103 V174 V233 | I47-V99 HydrophobicContact CG1-CG2 4.04Å; A95-V99 PolarHBondContact O-N 2.95Å; A95-V99 VanDerWaalsContact O-N 3.13Å; L96-V99 PolarHBondContact O-N 3.43Å; L97-V99 PolarHBondContact O-N 3.05Å; V99-L101 PolarHBondContact O-N 3.2Å; V99-N102 PolarHBondContact O-N 3Å; V99-C103 PolarHBondContact O-N 2.95Å; V99-C103 PolarHBondContact O-SG 3.34Å; V99-V174 HydrophobicContact CB-CG1 4.28Å; V99-V174 HydrophobicContact CG1-CG1 4.4Å; V99-V174 HydrophobicContact CG2-CG1 3.99Å; V99-V233 HydrophobicContact CB-CG2 4.21Å; V99-V233 HydrophobicContact CG1-CB 3.89Å; V99-V233 HydrophobicContact CG1-CG1 4.18Å; V99-V233 HydrophobicContact CG1-CG2 3.87Å; V99-V233 HydrophobicContact CG2-CG2 4.27Å |
| 100 | L | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.3 | -44.9 | -170.4 | -68.3 | 169.5 | 0 | 0 | 0 | 112.8 | V19 V24 V27 L96 L97 N102 C103 V106 L108 L112 V233 | V19-L100 HydrophobicContact CG2-CD1 4.47Å; V24-L100 HydrophobicContact CG1-CD2 4.25Å; V24-L100 HydrophobicContact CG2-CD1 4.31Å; V27-L100 HydrophobicContact CG1-CD2 4.23Å; L96-L100 HydrophobicContact CD1-CD1 4.08Å; L96-L100 HydrophobicContact CD1-CG 4.37Å; L96-L100 HydrophobicContact CG-CD1 3.91Å; L96-L100 WeakPolarHBondContact O-CG 3.39Å; L96-L100 PolarHBondContact O-N 3.22Å; L97-L100 PolarHBondContact O-N 3.27Å; L100-N102 VanDerWaalsContact C-N 3.31Å; L100-N102 PolarHBondContact O-N 3.03Å; L100-C103 WeakPolarHBondContact O-CB 3.31Å; L100-C103 PolarHBondContact O-N 2.99Å; L100-C103 VanDerWaalsContact O-N 3.09Å; L100-V106 HydrophobicContact CD2-CG1 4.49Å; L100-L108 HydrophobicContact CB-CD2 4.06Å; L100-L112 HydrophobicContact CD1-CD1 3.96Å; L100-V233 HydrophobicContact CD2-CG1 4.35Å |
| 101 | L | 97.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -17.9 | -173.7 | -62 | -178.2 | 0 | 0 | 0 | 113.3 | F81 L97 V99 L108 L112 K116 | F81-L101 HydrophobicContact CB-CB 3.85Å; F81-L101 HydrophobicContact CD1-CB 3.8Å; F81-L101 HydrophobicContact CD1-CD1 3.86Å; F81-L101 HydrophobicContact CD1-CG 4.39Å; F81-L101 HydrophobicContact CD2-CB 3.99Å; F81-L101 HydrophobicContact CD2-CD1 3.78Å; F81-L101 HydrophobicContact CE1-CB 4.42Å; F81-L101 HydrophobicContact CE1-CD1 3.61Å; F81-L101 HydrophobicContact CE2-CD1 3.52Å; F81-L101 HydrophobicContact CG-CB 3.56Å; F81-L101 HydrophobicContact CG-CD1 3.95Å; F81-L101 HydrophobicContact CG-CG 4.4Å; F81-L101 HydrophobicContact CZ-CD1 3.44Å; F81-L101 VanDerWaalsContact CZ-CD1 3.44Å; L97-L101 HydrophobicContact CB-CD1 4.18Å; L97-L101 HydrophobicContact CD2-CD1 4.29Å; L97-L101 VanDerWaalsContact O-CB 3.28Å; L97-L101 WeakPolarHBondContact O-CB 3.47Å; L97-L101 WeakPolarHBondContact O-CG 3.47Å; L97-L101 PolarHBondContact O-N 2.77Å; V99-L101 PolarHBondContact O-N 3.2Å; L101-L108 HydrophobicContact CD2-CD1 4.05Å; L101-L108 HydrophobicContact CD2-CD2 4.31Å; L101-L112 HydrophobicContact CD2-CB 3.95Å; L101-K116 HydrophobicContact CD2-CB 4.14Å; L101-K116 HydrophobicContact CD2-CD 4.34Å; L101-K116 WeakPolarHBondContact O-CE 3.35Å; L101-K116 PolarHBondContact O-NZ 2.73Å |
| 102 | N | 97.2 | Very high | 95.7 | Very high | 37 Ų | 37 | 25.2 Ų | 25.2 | 20% | 0.198 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -9.4 | 168.8 | -72.4 | -58.7 | 0 | 0 | 0 | 113.3 | F81 S98 V99 L100 I176 L183 | F81-N102 PolarHBondContact N-OD1 3.06Å; F81-N102 PolarHBondContact O-ND2 3.01Å; S98-N102 PolarHBondContact O-ND2 3.38Å; V99-N102 PolarHBondContact O-N 3Å; L100-N102 VanDerWaalsContact C-N 3.31Å; L100-N102 PolarHBondContact O-N 3.03Å; N102-I176 HydrophobicContact CB-CD1 4.25Å; N102-I176 HydrophobicContact CB-CG1 4.49Å; N102-L183 WeakPolarHBondContact ND2-CD1 3.24Å |
| 103 | C | 92.3 | Very high | 95.8 | Very high | 17 Ų | 17 | 27.2 Ų | 27.2 | 12% | 0.115 | 17% | 0.167 | C | C | . | . | trans | -77.9 | 151.1 | 176 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | Y44 V99 L100 V106 K116 | Y44-C103 HydrophobicContact CD1-CB 4.46Å; V99-C103 PolarHBondContact O-N 2.95Å; V99-C103 PolarHBondContact O-SG 3.34Å; L100-C103 WeakPolarHBondContact O-CB 3.31Å; L100-C103 PolarHBondContact O-N 2.99Å; L100-C103 VanDerWaalsContact O-N 3.09Å; C103-V106 HydrophobicContact CB-CB 4.47Å; C103-V106 HydrophobicContact CB-CG2 3.89Å; C103-K116 PolarHBondContact O-NZ 3.2Å | ||
| 104 | S | 86.9 | Confident | 95.7 | Very high | 104 Ų | 104 | 33.3 Ų | 33.3 | 73% | 0.727 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -103.4 | -29.5 | 169.6 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | V106 | S104-V106 PolarHBondContact O-N 3.07Š|
| 105 | N | 87.3 | Confident | 95.7 | Very high | 127 Ų | 127 | 34 Ų | 34 | 68% | 0.679 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -104.2 | 46.4 | -165.9 | -59.1 | 3.2 | 0 | 0 | 0 | 111.9 | Y44 | Y44-N105 HydrophobicContact CE1-CB 4.42Å; Y44-N105 WeakPolarHBondContact CE1-O 3.49Å; Y44-N105 PolarHBondContact OH-O 3.46Å |
| 106 | V | 93.3 | Very high | 95.6 | Very high | 25 Ų | 25 | 37 Ų | 37 | 15% | 0.152 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -141.7 | 134.7 | -175.2 | 174 | 0 | 0 | 0 | 0 | 109.7 | V24 V27 Y44 L100 C103 S104 L108 | V24-V106 HydrophobicContact CG1-CG1 3.73Å; V27-V106 HydrophobicContact CG2-CG1 3.68Å; V27-V106 HydrophobicContact CG2-CG2 4.09Å; Y44-V106 HydrophobicContact CD1-CG2 3.8Å; Y44-V106 HydrophobicContact CD2-CG2 4.37Å; Y44-V106 HydrophobicContact CE1-CG2 3.38Å; Y44-V106 HydrophobicContact CE2-CG2 4.01Å; Y44-V106 HydrophobicContact CG-CG2 4.27Å; Y44-V106 VanDerWaalsContact CZ-CG2 3.48Å; L100-V106 HydrophobicContact CD2-CG1 4.49Å; C103-V106 HydrophobicContact CB-CB 4.47Å; C103-V106 HydrophobicContact CB-CG2 3.89Å; S104-V106 PolarHBondContact O-N 3.07Å; V106-L108 HydrophobicContact CG1-CD2 4.03Å; V106-L108 HydrophobicContact CG1-CG 4.48Å; V106-L108 PolarHBondContact O-N 3.32Å; V106-L108 VanDerWaalsContact O-N 3.11Å |
| 107 | D | 95.8 | Very high | 95.6 | Very high | 73 Ų | 73 | 42.7 Ų | 42.7 | 39% | 0.39 | 24% | 0.235 | S | C | . | . | B | Isolated β-bridge | trans | -75.8 | 95 | 164.4 | 176.2 | 9.6 | 0 | 0 | 0 | 109 | V24 K25 G109 | V24-D107 WeakPolarHBondContact CA-O 3.46Å; V24-D107 WeakPolarHBondContact CG1-O 3.23Å; K25-D107 HydrophobicContact CB-CB 4.2Å; K25-D107 WeakPolarHBondContact CD-OD2 3.43Å; K25-D107 WeakPolarHBondContact CG-OD2 3.24Å; K25-D107 PolarHBondContact N-O 3.12Å; K25-D107 IonicContact NZ-OD1 3.47Å; K25-D107 IonicContact NZ-OD2 3.42Å; K25-D107 PolarHBondContact NZ-OD2 3.43Å; D107-G109 PolarHBondContact O-N 3.42Å; D107-G109 PolarHBondContact OD1-N 2.92Å |
| 108 | L | 97 | Very high | 95.5 | Very high | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | trans | -67 | -9.8 | 179.3 | -70.8 | 178.4 | 0 | 0 | 0 | 113.8 | L100 L101 V106 L112 K116 | L100-L108 HydrophobicContact CB-CD2 4.06Å; L101-L108 HydrophobicContact CD2-CD1 4.05Å; L101-L108 HydrophobicContact CD2-CD2 4.31Å; V106-L108 HydrophobicContact CG1-CD2 4.03Å; V106-L108 HydrophobicContact CG1-CG 4.48Å; V106-L108 PolarHBondContact O-N 3.32Å; V106-L108 VanDerWaalsContact O-N 3.11Å; L108-L112 HydrophobicContact CB-CB 4.08Å; L108-L112 HydrophobicContact CD2-CB 4.5Å; L108-L112 HydrophobicContact CD2-CD1 4.47Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-K116 HydrophobicContact CD1-CD 3.71Å | ||
| 109 | G | 95.8 | Very high | 95.4 | Very high | 5 Ų | 5 | 49 Ų | 49 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | 65.3 | 177.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G23 D107 S113 | G23-G109 WeakPolarHBondContact O-CA 3.48Å; D107-G109 PolarHBondContact O-N 3.42Å; D107-G109 PolarHBondContact OD1-N 2.92Å; G109-S113 VanDerWaalsContact O-CB 3.25Å; G109-S113 WeakPolarHBondContact O-CB 3.45Å; G109-S113 PolarHBondContact O-N 3.28Å; G109-S113 PolarHBondContact O-OG 2.9Å |
| 110 | P | 96.5 | Very high | 95.3 | Very high | 85 Ų | 85 | 56.8 Ų | 56.8 | 55% | 0.552 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -71.9 | -33.9 | -170.1 | 28.5 | -35.2 | 0 | 0 | 0 | 113.4 | R114 | P110-R114 VanDerWaalsContact O-CG 3.28Å; P110-R114 WeakPolarHBondContact O-CG 3.41Å; P110-R114 PolarHBondContact O-N 2.83Å |
| 111 | T | 95.7 | Very high | 95.2 | Very high | 23 Ų | 23 | 59 Ų | 59 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.7 | -51.8 | -177.2 | -74.5 | 0 | 0 | 0 | 0 | 112.1 | R114 M115 E136 L137 | T111-R114 PolarHBondContact O-N 3.49Å; T111-R114 PolarHBondContact OG1-NH2 2.87Å; T111-R114 VanDerWaalsContact OG1-NH2 3.1Å; T111-M115 PolarHBondContact O-N 2.93Å; T111-M115 VanDerWaalsContact O-N 3.11Å; T111-E136 WeakPolarHBondContact CB-OE2 3.39Å; T111-E136 HydrophobicContact CG2-CB 4.14Å; T111-E136 WeakPolarHBondContact CG2-OE2 3.37Å; T111-E136 PolarHBondContact OG1-OE2 3.44Å; T111-L137 HydrophobicContact CG2-CD2 3.99Å |
| 112 | L | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.7 | -30.7 | -179.4 | -61.7 | -164.1 | 0 | 0 | 0 | 112.6 | F22 V24 L97 L100 L101 L108 M115 K116 L137 | F22-L112 HydrophobicContact CB-CD1 4.35Å; F22-L112 HydrophobicContact CB-CG 4.39Å; F22-L112 HydrophobicContact CD2-CD1 4.35Å; V24-L112 HydrophobicContact CG2-CD1 3.47Å; V24-L112 VanDerWaalsContact CG2-CD1 3.47Å; V24-L112 HydrophobicContact CG2-CG 4.21Å; L97-L112 HydrophobicContact CD2-CD1 3.81Å; L97-L112 HydrophobicContact CD2-CD2 3.47Å; L97-L112 VanDerWaalsContact CD2-CD2 3.47Å; L97-L112 HydrophobicContact CD2-CG 4.31Å; L100-L112 HydrophobicContact CD1-CD1 3.96Å; L101-L112 HydrophobicContact CD2-CB 3.95Å; L108-L112 HydrophobicContact CB-CB 4.08Å; L108-L112 HydrophobicContact CD2-CB 4.5Å; L108-L112 HydrophobicContact CD2-CD1 4.47Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L112-M115 PolarHBondContact O-N 2.91Å; L112-K116 WeakPolarHBondContact O-CB 3.36Å; L112-K116 PolarHBondContact O-N 3.16Å; L112-L137 HydrophobicContact CD2-CD2 3.76Å |
| 113 | S | 96.9 | Very high | 95.1 | Very high | 43 Ų | 43 | 62.5 Ų | 62.5 | 30% | 0.301 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.1 | -50.1 | 172.1 | -57 | 0 | 0 | 0 | 0 | 111.5 | G109 M115 K116 D117 | G109-S113 VanDerWaalsContact O-CB 3.25Å; G109-S113 WeakPolarHBondContact O-CB 3.45Å; G109-S113 PolarHBondContact O-N 3.28Å; G109-S113 PolarHBondContact O-OG 2.9Å; S113-M115 VanDerWaalsContact C-N 3.27Å; S113-M115 PolarHBondContact O-N 3.01Å; S113-K116 PolarHBondContact O-N 3.33Å; S113-K116 VanDerWaalsContact O-N 3.13Å; S113-D117 PolarHBondContact O-N 2.96Å |
| 114 | R | 96.4 | Very high | 95.4 | Very high | 128 Ų | 128 | 62.2 Ų | 62.2 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -55 | -42.5 | 174.2 | -75.4 | -173.4 | -49.5 | -106.3 | 9 | 112.1 | P110 T111 F118 E136 | P110-R114 VanDerWaalsContact O-CG 3.28Å; P110-R114 WeakPolarHBondContact O-CG 3.41Å; P110-R114 PolarHBondContact O-N 2.83Å; T111-R114 PolarHBondContact O-N 3.49Å; T111-R114 PolarHBondContact OG1-NH2 2.87Å; T111-R114 VanDerWaalsContact OG1-NH2 3.1Å; R114-F118 WeakPolarHBondContact O-CB 3.33Å; R114-F118 PolarHBondContact O-N 3.31Å; R114-E136 VanDerWaalsContact NH2-CD 3.31Å; R114-E136 IonicContact NH2-OE1 2.98Å; R114-E136 PolarHBondContact NH2-OE1 2.98Å; R114-E136 IonicContact NH2-OE2 2.82Å; R114-E136 PolarHBondContact NH2-OE2 2.75Å |
| 115 | M | 96.2 | Very high | 95.9 | Very high | 20 Ų | 20 | 61.6 Ų | 61.6 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 178.1 | 179.1 | 167 | -77 | 0 | 0 | 112.2 | T111 L112 S113 F118 T119 A130 I131 A134 L137 | T111-M115 PolarHBondContact O-N 2.93Å; T111-M115 VanDerWaalsContact O-N 3.11Å; L112-M115 PolarHBondContact O-N 2.91Å; S113-M115 VanDerWaalsContact C-N 3.27Å; S113-M115 PolarHBondContact O-N 3.01Å; M115-F118 PolarHBondContact O-N 3.39Å; M115-T119 HydrophobicContact CG-CG2 4.33Å; M115-T119 WeakPolarHBondContact O-CB 3.33Å; M115-T119 WeakPolarHBondContact O-CG2 3.37Å; M115-T119 PolarHBondContact O-N 3.25Å; M115-T119 PolarHBondContact O-OG1 3.04Å; M115-A130 WeakPolarHBondContact CE-O 3.44Å; M115-I131 HydrophobicContact SD-CG1 4.06Å; M115-A134 HydrophobicContact CE-CB 3.6Å; M115-L137 HydrophobicContact CE-CD1 3.59Å; M115-L137 HydrophobicContact SD-CD1 3.85Å |
| 116 | K | 96.3 | Very high | 96.3 | Very high | 68 Ų | 68 | 57.8 Ų | 57.8 | 30% | 0.296 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 178.2 | -170.3 | 165 | 172.4 | 161.8 | 0 | 112 | L101 C103 L108 L112 S113 K120 | L101-K116 HydrophobicContact CD2-CB 4.14Å; L101-K116 HydrophobicContact CD2-CD 4.34Å; L101-K116 WeakPolarHBondContact O-CE 3.35Å; L101-K116 PolarHBondContact O-NZ 2.73Å; C103-K116 PolarHBondContact O-NZ 3.2Å; L108-K116 HydrophobicContact CD1-CD 3.71Å; L112-K116 WeakPolarHBondContact O-CB 3.36Å; L112-K116 PolarHBondContact O-N 3.16Å; S113-K116 PolarHBondContact O-N 3.33Å; S113-K116 VanDerWaalsContact O-N 3.13Å; K116-K120 PolarHBondContact O-N 2.98Å |
| 117 | D | 96.3 | Very high | 96.6 | Very high | 119 Ų | 119 | 56.8 Ų | 56.8 | 64% | 0.636 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -71.4 | -43.9 | 178.1 | -67.4 | -32.9 | 0 | 0 | 0 | 111.9 | S113 T119 K120 | S113-D117 PolarHBondContact O-N 2.96Å; D117-T119 VanDerWaalsContact C-N 3.34Å; D117-T119 PolarHBondContact O-N 3.37Å; D117-K120 WeakPolarHBondContact O-CB 3.45Å; D117-K120 PolarHBondContact O-N 2.9Å |
| 118 | F | 96.5 | Very high | 96.6 | Very high | 135 Ų | 135 | 53.3 Ų | 53.3 | 59% | 0.592 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.3 | -36.4 | 179.3 | 175.6 | -109.3 | 0 | 0 | 0 | 113.2 | R114 M115 F122 A130 | R114-F118 WeakPolarHBondContact O-CB 3.33Å; R114-F118 PolarHBondContact O-N 3.31Å; M115-F118 PolarHBondContact O-N 3.39Å; F118-F122 HydrophobicContact CD1-CE2 4.28Å; F118-F122 AromaticContact CE1-CE2 3.85Å; F118-F122 HydrophobicContact CE1-CE2 3.85Å; F118-F122 HydrophobicContact CE1-CZ 4.2Å; F118-F122 HydrophobicContact CE2-CZ 4.31Å; F118-F122 HydrophobicContact CZ-CE2 4.1Å; F118-F122 HydrophobicContact CZ-CZ 4.08Å; F118-F122 VanDerWaalsContact O-CE1 3.24Å; F118-F122 WeakPolarHBondContact O-CE1 3.27Å; F118-F122 WeakPolarHBondContact O-CZ 3.49Å; F118-A130 HydrophobicContact CE1-CB 4.36Å |
| 119 | T | 97 | Very high | 96.6 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 10.2 | -176.8 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | F81 M115 D117 G121 F122 K127 A130 | F81-T119 WeakPolarHBondContact CE2-OG1 3.4Å; M115-T119 HydrophobicContact CG-CG2 4.33Å; M115-T119 WeakPolarHBondContact O-CB 3.33Å; M115-T119 WeakPolarHBondContact O-CG2 3.37Å; M115-T119 PolarHBondContact O-N 3.25Å; M115-T119 PolarHBondContact O-OG1 3.04Å; D117-T119 VanDerWaalsContact C-N 3.34Å; D117-T119 PolarHBondContact O-N 3.37Å; T119-G121 PolarHBondContact O-N 2.68Å; T119-F122 HydrophobicContact CG2-CD2 4.12Å; T119-F122 HydrophobicContact CG2-CE2 4.42Å; T119-F122 WeakPolarHBondContact O-CB 3.33Å; T119-F122 PolarHBondContact O-N 3.14Å; T119-F122 VanDerWaalsContact O-N 3.12Å; T119-K127 VanDerWaalsContact O-CE 3.25Å; T119-K127 WeakPolarHBondContact O-CE 3.46Å; T119-A130 HydrophobicContact CG2-CB 3.46Å; T119-A130 VanDerWaalsContact CG2-CB 3.46Å |
| 120 | K | 95.7 | Very high | 96.6 | Very high | 165 Ų | 165 | 58.8 Ų | 58.8 | 72% | 0.717 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 124 | 179.5 | -172 | 176.1 | -178.4 | 178.5 | 0 | 110.7 | K116 D117 F122 | K116-K120 PolarHBondContact O-N 2.98Å; D117-K120 WeakPolarHBondContact O-CB 3.45Å; D117-K120 PolarHBondContact O-N 2.9Å; K120-F122 PolarHBondContact O-N 3.5Å |
| 121 | G | 94.7 | Very high | 96.6 | Very high | 45 Ų | 45 | 54.8 Ų | 54.8 | 46% | 0.464 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 3.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | N78 T119 | N78-G121 PolarHBondContact O-N 3.47Å; T119-G121 PolarHBondContact O-N 2.68Å |
| 122 | F | 97.2 | Very high | 96.6 | Very high | 69 Ų | 69 | 54 Ų | 54 | 30% | 0.303 | 27% | 0.274 | S | S | . | . | trans | -72.7 | 149.2 | 175.4 | -80.1 | 23.9 | 0 | 0 | 0 | 111.7 | N78 F118 T119 K120 K127 | N78-F122 PolarHBondContact OD1-O 2.88Å; N78-F122 VanDerWaalsContact OD1-O 3.13Å; F118-F122 HydrophobicContact CD1-CE2 4.28Å; F118-F122 AromaticContact CE1-CE2 3.85Å; F118-F122 HydrophobicContact CE1-CE2 3.85Å; F118-F122 HydrophobicContact CE1-CZ 4.2Å; F118-F122 HydrophobicContact CE2-CZ 4.31Å; F118-F122 HydrophobicContact CZ-CE2 4.1Å; F118-F122 HydrophobicContact CZ-CZ 4.08Å; F118-F122 VanDerWaalsContact O-CE1 3.24Å; F118-F122 WeakPolarHBondContact O-CE1 3.27Å; F118-F122 WeakPolarHBondContact O-CZ 3.49Å; T119-F122 HydrophobicContact CG2-CD2 4.12Å; T119-F122 HydrophobicContact CG2-CE2 4.42Å; T119-F122 WeakPolarHBondContact O-CB 3.33Å; T119-F122 PolarHBondContact O-N 3.14Å; T119-F122 VanDerWaalsContact O-N 3.12Å; K120-F122 PolarHBondContact O-N 3.5Å; F122-K127 HydrophobicContact CB-CG 3.88Å; F122-K127 WeakPolarHBondContact O-CD 3.36Å; F122-K127 WeakPolarHBondContact O-CE 3.35Å; F122-K127 PolarHBondContact O-NZ 2.97Å | ||
| 123 | S | 97.2 | Very high | 96.4 | Very high | 45 Ų | 45 | 59.8 Ų | 59.8 | 32% | 0.315 | 30% | 0.304 | S | S | . | . | trans | -60.9 | 155.4 | 169.3 | 71.4 | 0 | 0 | 0 | 0 | 111.9 | N78 E125 S126 K127 | N78-S123 WeakPolarHBondContact OD1-CA 3.47Å; S123-E125 VanDerWaalsContact C-N 3.26Å; S123-E125 PolarHBondContact O-N 3.41Å; S123-S126 WeakPolarHBondContact O-CB 3.43Å; S123-S126 PolarHBondContact O-N 3.14Å; S123-S126 WeakPolarHBondContact OG-CB 3.23Å; S123-S126 PolarHBondContact OG-N 2.78Å; S123-S126 PolarHBondContact OG-OG 3.39Å; S123-K127 PolarHBondContact O-N 3.18Å | ||
| 124 | P | 97.4 | Very high | 96.3 | Very high | 11 Ų | 11 | 58.4 Ų | 58.4 | 7% | 0.071 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.8 | -34.4 | 179.2 | -27.7 | 37.1 | 0 | 0 | 0 | 114 | V77 F82 A83 H84 K127 G128 | V77-P124 HydrophobicContact CG1-CG 3.45Å; V77-P124 VanDerWaalsContact CG1-CG 3.45Å; F82-P124 HydrophobicContact CD1-CB 3.73Å; F82-P124 HydrophobicContact CD1-CG 3.61Å; F82-P124 HydrophobicContact CE1-CB 3.97Å; F82-P124 HydrophobicContact CE1-CG 4.07Å; F82-P124 WeakPolarHBondContact O-CA 3.38Å; A83-P124 WeakPolarHBondContact CA-O 3.49Å; H84-P124 PolarHBondContact N-O 2.85Å; P124-K127 PolarHBondContact O-N 2.87Å; P124-G128 PolarHBondContact O-N 3.01Å |
| 125 | E | 97.1 | Very high | 96.2 | Very high | 91 Ų | 91 | 56 Ų | 56 | 43% | 0.425 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 172.5 | -167.6 | -173.1 | 174 | 0 | 0 | 111.2 | H84 L86 S123 K127 G128 Y129 | H84-E125 PolarHBondContact ND1-N 3.38Å; L86-E125 HydrophobicContact CD1-CG 3.83Å; L86-E125 WeakPolarHBondContact CD1-O 3.29Å; L86-E125 HydrophobicContact CD2-CG 4.21Å; S123-E125 VanDerWaalsContact C-N 3.26Å; S123-E125 PolarHBondContact O-N 3.41Å; E125-K127 VanDerWaalsContact C-N 3.33Å; E125-K127 PolarHBondContact O-N 3.17Å; E125-G128 CarbonylContact O-C 3.59Å; E125-G128 WeakPolarHBondContact O-CA 3.2Å; E125-G128 PolarHBondContact O-N 2.92Å; E125-Y129 HydrophobicContact CG-CD2 4.11Å; E125-Y129 HydrophobicContact CG-CE2 3.63Å; E125-Y129 WeakPolarHBondContact O-CD2 3.41Å; E125-Y129 PolarHBondContact O-N 2.64Å; E125-Y129 VanDerWaalsContact OE1-CE2 3.29Å; E125-Y129 WeakPolarHBondContact OE1-CE2 3.35Å; E125-Y129 PolarHBondContact OE1-OH 3.13Å |
| 126 | S | 97.4 | Very high | 96.1 | Very high | 48 Ų | 48 | 59.6 Ų | 59.6 | 34% | 0.336 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.6 | -37.1 | 177.4 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | S123 G128 Y129 A130 | S123-S126 WeakPolarHBondContact O-CB 3.43Å; S123-S126 PolarHBondContact O-N 3.14Å; S123-S126 WeakPolarHBondContact OG-CB 3.23Å; S123-S126 PolarHBondContact OG-N 2.78Å; S123-S126 PolarHBondContact OG-OG 3.39Å; S126-G128 VanDerWaalsContact C-N 3.35Å; S126-Y129 PolarHBondContact O-N 3.26Å; S126-A130 WeakPolarHBondContact O-CB 3.45Å; S126-A130 PolarHBondContact O-N 3.47Å |
| 127 | K | 97.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 1% | 0.013 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 170.3 | -74.7 | 163.3 | 176.3 | 155.8 | 0 | 111.1 | N78 M80 F81 F82 A83 T119 F122 S123 P124 E125 A130 I131 | N78-K127 PolarHBondContact O-NZ 3.16Å; M80-K127 PolarHBondContact O-NZ 3.38Å; F81-K127 HydrophobicContact CE2-CG 4.3Å; F82-K127 WeakPolarHBondContact O-CD 3.06Å; A83-K127 HydrophobicContact CB-CB 3.69Å; T119-K127 VanDerWaalsContact O-CE 3.25Å; T119-K127 WeakPolarHBondContact O-CE 3.46Å; F122-K127 HydrophobicContact CB-CG 3.88Å; F122-K127 WeakPolarHBondContact O-CD 3.36Å; F122-K127 WeakPolarHBondContact O-CE 3.35Å; F122-K127 PolarHBondContact O-NZ 2.97Å; S123-K127 PolarHBondContact O-N 3.18Å; P124-K127 PolarHBondContact O-N 2.87Å; E125-K127 VanDerWaalsContact C-N 3.33Å; E125-K127 PolarHBondContact O-N 3.17Å; K127-A130 PolarHBondContact O-N 2.87Å; K127-I131 WeakPolarHBondContact O-CG1 3.23Å; K127-I131 PolarHBondContact O-N 3.02Å |
| 128 | G | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | H84 P124 E125 S126 A130 I131 G132 | H84-G128 WeakPolarHBondContact O-CA 3.12Å; P124-G128 PolarHBondContact O-N 3.01Å; E125-G128 CarbonylContact O-C 3.59Å; E125-G128 WeakPolarHBondContact O-CA 3.2Å; E125-G128 PolarHBondContact O-N 2.92Å; S126-G128 VanDerWaalsContact C-N 3.35Å; G128-A130 VanDerWaalsContact C-N 3.31Å; G128-A130 PolarHBondContact O-N 3.44Å; G128-I131 PolarHBondContact O-N 2.91Å; G128-G132 PolarHBondContact O-N 2.91Å |
| 129 | Y | 96.5 | Very high | 96 | Very high | 119 Ų | 119 | 52.1 Ų | 52.1 | 47% | 0.467 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.6 | -36.3 | 174.2 | -73.8 | -63.6 | 0 | 0 | 0 | 112.4 | L86 E125 S126 G132 N133 | L86-Y129 HydrophobicContact CD1-CD1 3.65Å; L86-Y129 HydrophobicContact CD1-CD2 3.56Å; L86-Y129 HydrophobicContact CD1-CE1 3.6Å; L86-Y129 HydrophobicContact CD1-CE2 3.52Å; L86-Y129 HydrophobicContact CD1-CG 3.61Å; E125-Y129 HydrophobicContact CG-CD2 4.11Å; E125-Y129 HydrophobicContact CG-CE2 3.63Å; E125-Y129 WeakPolarHBondContact O-CD2 3.41Å; E125-Y129 PolarHBondContact O-N 2.64Å; E125-Y129 VanDerWaalsContact OE1-CE2 3.29Å; E125-Y129 WeakPolarHBondContact OE1-CE2 3.35Å; E125-Y129 PolarHBondContact OE1-OH 3.13Å; S126-Y129 PolarHBondContact O-N 3.26Å; Y129-G132 PolarHBondContact O-N 3.37Å; Y129-N133 WeakPolarHBondContact O-CB 3.25Å; Y129-N133 PolarHBondContact O-N 3.23Å; Y129-N133 PolarHBondContact O-ND2 3.02Å |
| 130 | A | 96.8 | Very high | 96 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 13% | 0.132 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M115 F118 T119 S126 K127 G128 A134 | M115-A130 WeakPolarHBondContact CE-O 3.44Å; F118-A130 HydrophobicContact CE1-CB 4.36Å; T119-A130 HydrophobicContact CG2-CB 3.46Å; T119-A130 VanDerWaalsContact CG2-CB 3.46Å; S126-A130 WeakPolarHBondContact O-CB 3.45Å; S126-A130 PolarHBondContact O-N 3.47Å; K127-A130 PolarHBondContact O-N 2.87Å; G128-A130 VanDerWaalsContact C-N 3.31Å; G128-A130 PolarHBondContact O-N 3.44Å; A130-A134 PolarHBondContact O-N 3.45Å |
| 131 | I | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66 | -49.7 | 172.1 | -62.7 | 165.3 | 0 | 0 | 0 | 110.3 | W5 F81 A83 L97 M115 K127 G128 N133 A134 L137 | W5-I131 HydrophobicContact CH2-CG2 4.24Å; F81-I131 HydrophobicContact CE1-CD1 4.14Å; F81-I131 HydrophobicContact CZ-CD1 3.98Å; F81-I131 HydrophobicContact CZ-CG1 4.35Å; A83-I131 HydrophobicContact CB-CD1 3.76Å; L97-I131 HydrophobicContact CD1-CD1 4.03Å; L97-I131 HydrophobicContact CD1-CG1 3.95Å; L97-I131 HydrophobicContact CD1-CG2 3.88Å; M115-I131 HydrophobicContact SD-CG1 4.06Å; K127-I131 WeakPolarHBondContact O-CG1 3.23Å; K127-I131 PolarHBondContact O-N 3.02Å; G128-I131 PolarHBondContact O-N 2.91Å; I131-N133 VanDerWaalsContact C-N 3.28Å; I131-N133 PolarHBondContact O-N 2.82Å; I131-A134 WeakPolarHBondContact O-CB 3.31Å; I131-A134 PolarHBondContact O-N 3.12Å; I131-A134 VanDerWaalsContact O-N 3.15Å; I131-L137 HydrophobicContact CG2-CD1 4.47Å |
| 132 | G | 93.8 | Very high | 96 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 8% | 0.082 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.3 | -32.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G128 Y129 | G128-G132 PolarHBondContact O-N 2.91Å; Y129-G132 PolarHBondContact O-N 3.37Å |
| 133 | N | 93.4 | Very high | 95.8 | Very high | 121 Ų | 121 | 43.7 Ų | 43.7 | 65% | 0.647 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | 4.9 | 178.5 | -70.2 | -67.9 | 0 | 0 | 0 | 114.2 | Y129 I131 P135 | Y129-N133 WeakPolarHBondContact O-CB 3.25Å; Y129-N133 PolarHBondContact O-N 3.23Å; Y129-N133 PolarHBondContact O-ND2 3.02Å; I131-N133 VanDerWaalsContact C-N 3.28Å; I131-N133 PolarHBondContact O-N 2.82Å; N133-P135 WeakPolarHBondContact O-CD 3.38Å |
| 134 | A | 94.8 | Very high | 95.8 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | trans | -87.1 | 102.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | M115 A130 I131 E136 L137 A138 | M115-A134 HydrophobicContact CE-CB 3.6Å; A130-A134 PolarHBondContact O-N 3.45Å; I131-A134 WeakPolarHBondContact O-CB 3.31Å; I131-A134 PolarHBondContact O-N 3.12Å; I131-A134 VanDerWaalsContact O-N 3.15Å; A134-E136 VanDerWaalsContact C-N 3.25Å; A134-E136 PolarHBondContact O-N 2.91Å; A134-L137 HydrophobicContact CB-CB 4.22Å; A134-L137 HydrophobicContact CB-CD1 3.87Å; A134-L137 HydrophobicContact CB-CG 3.88Å; A134-L137 PolarHBondContact O-N 2.94Å; A134-A138 PolarHBondContact O-N 3.42Å; A134-A138 VanDerWaalsContact O-N 3.08Å | ||
| 135 | P | 93.9 | Very high | 95.5 | Very high | 78 Ų | 78 | 41.7 Ų | 41.7 | 51% | 0.506 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.8 | -26.8 | -176.2 | 29.8 | -36.8 | 0 | 0 | 0 | 112.6 | N133 L137 K139 | N133-P135 WeakPolarHBondContact O-CD 3.38Å; P135-L137 VanDerWaalsContact C-N 3.35Å; P135-K139 WeakPolarHBondContact O-CB 3.42Å; P135-K139 PolarHBondContact O-N 2.82Å |
| 136 | E | 94.9 | Very high | 95 | Very high | 96 Ų | 96 | 44.7 Ų | 44.7 | 45% | 0.449 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.9 | -46.9 | 174.3 | -60.1 | -179.6 | 146.4 | 0 | 0 | 110.5 | T111 R114 A134 A140 | T111-E136 WeakPolarHBondContact CB-OE2 3.39Å; T111-E136 HydrophobicContact CG2-CB 4.14Å; T111-E136 WeakPolarHBondContact CG2-OE2 3.37Å; T111-E136 PolarHBondContact OG1-OE2 3.44Å; R114-E136 VanDerWaalsContact NH2-CD 3.31Å; R114-E136 IonicContact NH2-OE1 2.98Å; R114-E136 PolarHBondContact NH2-OE1 2.98Å; R114-E136 IonicContact NH2-OE2 2.82Å; R114-E136 PolarHBondContact NH2-OE2 2.75Å; A134-E136 VanDerWaalsContact C-N 3.25Å; A134-E136 PolarHBondContact O-N 2.91Å; E136-A140 PolarHBondContact O-N 2.92Å |
| 137 | L | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.3 | -44.3 | -179.9 | -54.7 | -176.6 | 0 | 0 | 0 | 112.1 | W5 F22 L97 T111 L112 M115 I131 A134 P135 K139 A140 H141 | W5-L137 HydrophobicContact CH2-CB 4.01Å; F22-L137 HydrophobicContact CD1-CD2 3.6Å; F22-L137 HydrophobicContact CD2-CD2 4.48Å; F22-L137 HydrophobicContact CE1-CB 4.22Å; F22-L137 HydrophobicContact CE1-CD2 3.68Å; F22-L137 HydrophobicContact CG-CD2 4.03Å; F22-L137 HydrophobicContact CZ-CD2 4.18Å; L97-L137 HydrophobicContact CD1-CD1 3.94Å; T111-L137 HydrophobicContact CG2-CD2 3.99Å; L112-L137 HydrophobicContact CD2-CD2 3.76Å; M115-L137 HydrophobicContact CE-CD1 3.59Å; M115-L137 HydrophobicContact SD-CD1 3.85Å; I131-L137 HydrophobicContact CG2-CD1 4.47Å; A134-L137 HydrophobicContact CB-CB 4.22Å; A134-L137 HydrophobicContact CB-CD1 3.87Å; A134-L137 HydrophobicContact CB-CG 3.88Å; A134-L137 PolarHBondContact O-N 2.94Å; P135-L137 VanDerWaalsContact C-N 3.35Å; L137-K139 VanDerWaalsContact C-N 3.25Å; L137-K139 PolarHBondContact O-N 3.34Å; L137-A140 PolarHBondContact O-N 3.37Å; L137-H141 VanDerWaalsContact O-CB 3.24Å; L137-H141 WeakPolarHBondContact O-CB 3.39Å; L137-H141 PolarHBondContact O-N 2.99Å |
| 138 | A | 95.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -35.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | W5 A134 N142 | W5-A138 HydrophobicContact CD2-CB 4.35Å; W5-A138 HydrophobicContact CH2-CB 4.45Å; W5-A138 HydrophobicContact CZ2-CB 3.69Å; A134-A138 PolarHBondContact O-N 3.42Å; A134-A138 VanDerWaalsContact O-N 3.08Å; A138-N142 VanDerWaalsContact O-CB 3.28Å; A138-N142 WeakPolarHBondContact O-CB 3.37Å; A138-N142 VanDerWaalsContact O-CG 3.23Å; A138-N142 PolarHBondContact O-N 3.34Å; A138-N142 PolarHBondContact O-ND2 2.89Å |
| 139 | K | 95.1 | Very high | 91.1 | Very high | 162 Ų | 162 | 55.2 Ų | 55.2 | 70% | 0.704 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -66.9 | -53.3 | 174.9 | -176.2 | -171 | 174.5 | -164.9 | 0 | 111.5 | P135 L137 H141 N142 S143 | P135-K139 WeakPolarHBondContact O-CB 3.42Å; P135-K139 PolarHBondContact O-N 2.82Å; L137-K139 VanDerWaalsContact C-N 3.25Å; L137-K139 PolarHBondContact O-N 3.34Å; K139-H141 VanDerWaalsContact C-N 3.31Å; K139-H141 PolarHBondContact O-N 3.34Å; K139-N142 PolarHBondContact O-N 2.97Å; K139-S143 PolarHBondContact O-N 2.95Å; K139-S143 PolarHBondContact O-OG 3.2Å; K139-S143 VanDerWaalsContact O-OG 3.12Å |
| 140 | A | 96.5 | Very high | 89.3 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.8 | -36.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L18 D21 F22 E136 L137 S143 H144 | L18-A140 HydrophobicContact CD1-CB 4.23Å; L18-A140 WeakPolarHBondContact CD1-O 3.3Å; D21-A140 HydrophobicContact CB-CB 4.03Å; F22-A140 HydrophobicContact CD1-CB 3.83Å; F22-A140 HydrophobicContact CE1-CB 3.79Å; E136-A140 PolarHBondContact O-N 2.92Å; L137-A140 PolarHBondContact O-N 3.37Å; A140-S143 WeakPolarHBondContact CA-OG 3.36Å; A140-S143 PolarHBondContact O-OG 2.95Å; A140-H144 PolarHBondContact O-CD2 2.83Å; A140-H144 VanDerWaalsContact O-CD2 3.3Å |
| 141 | H | 96.3 | Very high | 87 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.2 | -52.8 | 171.2 | -177.2 | 102.8 | 0 | 0 | 0 | 111.2 | W5 L6 L8 T93 L137 K139 S143 H144 | W5-H141 HydrophobicContact CE3-CB 3.83Å; W5-H141 AromaticContact CE3-CD2 3.51Å; W5-H141 AromaticContact CE3-CE1 3.74Å; W5-H141 AromaticContact CE3-CG 3.39Å; W5-H141 AromaticContact CE3-ND1 3.54Å; W5-H141 AromaticContact CE3-NE2 3.69Å; W5-H141 HydrophobicContact CZ3-CB 3.72Å; W5-H141 AromaticContact CZ3-CG 3.63Å; W5-H141 AromaticContact CZ3-ND1 3.61Å; L6-H141 PolarHBondContact O-NE2 3.24Å; L8-H141 WeakPolarHBondContact CD1-CE1 3.31Å; L8-H141 VanDerWaalsContact CD1-ND1 3.35Å; L8-H141 WeakPolarHBondContact CD1-ND1 3.45Å; T93-H141 PolarHBondContact OG1-ND1 3.43Å; L137-H141 VanDerWaalsContact O-CB 3.24Å; L137-H141 WeakPolarHBondContact O-CB 3.39Å; L137-H141 PolarHBondContact O-N 2.99Å; K139-H141 VanDerWaalsContact C-N 3.31Å; K139-H141 PolarHBondContact O-N 3.34Å; H141-S143 VanDerWaalsContact C-N 3.29Å; H141-S143 PolarHBondContact O-N 2.78Å; H141-H144 PolarHBondContact O-N 3.2Å |
| 142 | N | 94.5 | Very high | 84.7 | Confident | 39 Ų | 39 | 71.7 Ų | 71.7 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70 | -19.3 | -177 | -72.5 | -21 | 0 | 0 | 0 | 114.1 | G4 W5 L6 A138 K139 H144 | G4-N142 PolarHBondContact O-ND2 3.22Å; W5-N142 WeakPolarHBondContact CA-OD1 3.35Å; L6-N142 HydrophobicContact CD1-CB 4.38Å; L6-N142 PolarHBondContact N-OD1 2.99Å; A138-N142 VanDerWaalsContact O-CB 3.28Å; A138-N142 WeakPolarHBondContact O-CB 3.37Å; A138-N142 VanDerWaalsContact O-CG 3.23Å; A138-N142 PolarHBondContact O-N 3.34Å; A138-N142 PolarHBondContact O-ND2 2.89Å; K139-N142 PolarHBondContact O-N 2.97Å; N142-H144 VanDerWaalsContact C-N 3.32Å |
| 143 | S | 94.5 | Very high | 82.2 | Confident | 57 Ų | 57 | 76.2 Ų | 76.2 | 40% | 0.399 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73.1 | -21.1 | 174.3 | 41.2 | 0 | 0 | 0 | 0 | 114.2 | K139 A140 H141 T667 | K139-S143 PolarHBondContact O-N 2.95Å; K139-S143 PolarHBondContact O-OG 3.2Å; K139-S143 VanDerWaalsContact O-OG 3.12Å; A140-S143 WeakPolarHBondContact CA-OG 3.36Å; A140-S143 PolarHBondContact O-OG 2.95Å; H141-S143 VanDerWaalsContact C-N 3.29Å; H141-S143 PolarHBondContact O-N 2.78Å; S143-T667 WeakPolarHBondContact O-CG2 3.39Å |
| 144 | H | 95.1 | Very high | 80.5 | Confident | 8 Ų | 8 | 78.9 Ų | 78.9 | 4% | 0.037 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -95.3 | -4 | 175.1 | -70.6 | -55.7 | 0 | 0 | 0 | 114 | L8 L14 L17 L18 A140 H141 N142 D663 | L8-H144 HydrophobicContact CD2-CB 4.09Å; L14-H144 HydrophobicContact CD1-CB 4.35Å; L14-H144 HydrophobicContact CD2-CB 3.74Å; L14-H144 HydrophobicContact CG-CB 3.88Å; L17-H144 VanDerWaalsContact CB-CE1 3.48Å; L17-H144 WeakPolarHBondContact CB-CE1 3.4Å; L18-H144 PolarHBondContact N-NE2 2.83Å; A140-H144 PolarHBondContact O-CD2 2.83Å; A140-H144 VanDerWaalsContact O-CD2 3.3Å; H141-H144 PolarHBondContact O-N 3.2Å; N142-H144 VanDerWaalsContact C-N 3.32Å; H144-D663 IonicContact CE1-OD2 3.64Å; H144-D663 PolarHBondContact CE1-OD2 3.37Å; H144-D663 IonicContact CG-OD1 3.17Å; H144-D663 IonicContact ND1-OD1 3.79Å; H144-D663 PolarHBondContact ND1-OD1 2.86Å; H144-D663 IonicContact ND1-OD2 3.67Å; H144-D663 PolarHBondContact ND1-OD2 3.35Å |
| 145 | A | 92.8 | Very high | 77.8 | Confident | 6 Ų | 6 | 87.7 Ų | 87.7 | 5% | 0.05 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -80.2 | 154.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L6 L8 | L6-A145 HydrophobicContact CB-CB 3.43Å; L6-A145 VanDerWaalsContact CB-CB 3.43Å; L6-A145 HydrophobicContact CD1-CB 3.75Å; L6-A145 HydrophobicContact CG-CB 4.23Å; L8-A145 HydrophobicContact CD2-CB 3.85Å |
| 146 | R | 86.2 | Confident | 75.2 | Confident | 155 Ų | 155 | 90 Ų | 90 | 59% | 0.585 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 140.5 | 168.1 | -67.6 | -178.1 | 179.6 | -115 | 0.2 | 109.5 | E9 E148 R666 | E9-R146 IonicContact OE1-CZ 3.3Å; E9-R146 IonicContact OE1-NE 2.72Å; E9-R146 PolarHBondContact OE1-NE 2.81Å; E9-R146 IonicContact OE1-NH2 3.34Å; E9-R146 PolarHBondContact OE1-NH2 2.91Å; R146-E148 PolarHBondContact O-N 2.78Å; R146-R666 HydrophobicContact CG-CG 4.16Å |
| 147 | P | 77.8 | Confident | 72.3 | Confident | 57 Ų | 57 | 93.4 Ų | 93.4 | 37% | 0.37 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 132.6 | 170.9 | -25.1 | 34.7 | 0 | 0 | 0 | 111.4 | T667 N669 | P147-T667 WeakPolarHBondContact CD-O 3.49Å; P147-T667 WeakPolarHBondContact CG-O 3.49Å; P147-N669 HydrophobicContact CG-CB 4.31Å |
| 148 | E | 71.1 | Confident | 69.6 | Low | 142 Ų | 142 | 96.6 Ų | 96.6 | 66% | 0.664 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 131.3 | 171.4 | -172.6 | 172 | -153.6 | 0 | 0 | 109.7 | R146 R150 | R146-E148 PolarHBondContact O-N 2.78Å; E148-R150 PolarHBondContact O-N 3.14Å |
| 149 | P | 60.4 | Low | 67 | Low | 72 Ų | 72 | 102 Ų | 102 | 47% | 0.468 | 52% | 0.516 | S | S | . | . | trans | -61.1 | 110.2 | -177.5 | -24.7 | 34.6 | 0 | 0 | 0 | 111.8 | H151 L152 | P149-H151 PolarHBondContact O-N 2.91Å; P149-L152 HydrophobicContact CB-CD1 4.26Å; P149-L152 HydrophobicContact CB-CG 4.29Å; P149-L152 HydrophobicContact CG-CD1 4.33Å; P149-L152 PolarHBondContact O-N 3.43Å | ||
| 150 | R | 58.7 | Low | 64.2 | Low | 171 Ų | 171 | 98.8 Ų | 98.8 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -18.7 | -170.5 | -60.8 | -177.4 | -172.8 | 152.2 | 4.4 | 114.4 | E148 N669 E672 | E148-R150 PolarHBondContact O-N 3.14Å; R150-N669 PolarHBondContact NH2-ND2 3.25Å; R150-E672 IonicContact CZ-OE1 3.2Å; R150-E672 IonicContact NH1-OE1 3.85Å; R150-E672 PolarHBondContact NH1-OE1 3.25Å; R150-E672 IonicContact NH2-OE1 2.72Å; R150-E672 PolarHBondContact NH2-OE1 2.94Å |
| 151 | H | 48.8 | Very low | 61.4 | Low | 182 Ų | 182 | 103.5 Ų | 103.5 | 84% | 0.843 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.1 | 42.3 | -172.7 | -87.2 | -112.8 | 0 | 0 | 0 | 113.3 | P149 P153 | P149-H151 PolarHBondContact O-N 2.91Å; H151-P153 VanDerWaalsContact O-CD 3.27Å; H151-P153 WeakPolarHBondContact O-CD 3.36Å |
| 152 | L | 49.5 | Very low | 58.4 | Low | 129 Ų | 129 | 110.1 Ų | 110.1 | 68% | 0.675 | 59% | 0.594 | S | S | * | * | trans | -71.6 | 115 | 161.4 | -93.1 | 165.7 | 0 | 0 | 0 | 109.7 | P149 E154 | P149-L152 HydrophobicContact CB-CD1 4.26Å; P149-L152 HydrophobicContact CB-CG 4.29Å; P149-L152 HydrophobicContact CG-CD1 4.33Å; P149-L152 PolarHBondContact O-N 3.43Å; L152-E154 PolarHBondContact O-N 3.28Å | ||
| 153 | P | 41.3 | Very low | 55.6 | Low | 103 Ų | 103 | 118.4 Ų | 118.4 | 67% | 0.669 | 62% | 0.622 | S | S | * | * | trans | -69.2 | 120.5 | 179.1 | 27.7 | -33.6 | 0 | 0 | 0 | 110.1 | H151 K155 | H151-P153 VanDerWaalsContact O-CD 3.27Å; H151-P153 WeakPolarHBondContact O-CD 3.36Å; P153-K155 PolarHBondContact O-N 3.43Å | ||
| 154 | E | 55.7 | Low | 53 | Low | 177 Ų | 177 | 121.2 Ų | 121.2 | 83% | 0.827 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -57.5 | 2.7 | -172.5 | -150.4 | -167.9 | 154.5 | 0 | 0 | 116 | L152 | L152-E154 PolarHBondContact O-N 3.28Š|
| 155 | K | 38.4 | Very low | 51 | Low | 197 Ų | 197 | 128.8 Ų | 128.8 | 86% | 0.857 | 67% | 0.674 | S | S | * | * | trans | -126.3 | 56.5 | -171.5 | -70.1 | 176.1 | -178.7 | 163.5 | 0 | 112.8 | P153 | P153-K155 PolarHBondContact O-N 3.43Š| ||
| 156 | Q | 39.5 | Very low | 49.5 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 59% | 0.593 | 69% | 0.692 | S | S | * | * | trans | -133.8 | 47.1 | 161.4 | -155.7 | 167.6 | 73.3 | 0 | 0 | 114.7 | G158 L159 | Q156-G158 PolarHBondContact O-N 3.5Å; Q156-L159 HydrophobicContact CG-CD1 4.35Å; Q156-L159 HydrophobicContact CG-CG 4.47Å | ||
| 157 | N | 34.8 | Very low | 49 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 90% | 0.898 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 55.1 | 171.6 | -63.7 | 3.9 | 0 | 0 | 0 | 112.5 | ||
| 158 | G | 38.7 | Very low | 49.5 | Very low | 66 Ų | 66 | 128.5 Ų | 128.5 | 68% | 0.68 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.2 | 0.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | Q156 | Q156-G158 PolarHBondContact O-N 3.5Š|
| 159 | L | 40.5 | Very low | 50.5 | Low | 116 Ų | 116 | 122 Ų | 122 | 61% | 0.607 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -125 | -20 | -178.5 | -67.9 | -179 | 0 | 0 | 0 | 116.2 | Q156 A161 | Q156-L159 HydrophobicContact CG-CD1 4.35Å; Q156-L159 HydrophobicContact CG-CG 4.47Å; L159-A161 VanDerWaalsContact C-N 3.28Å; L159-A161 PolarHBondContact O-N 3.01Å |
| 160 | S | 37.8 | Very low | 52.1 | Low | 96 Ų | 96 | 119 Ų | 119 | 67% | 0.671 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -77.9 | 2.4 | -171.1 | -58.7 | 0 | 0 | 0 | 0 | 116.4 | V162 R163 | S160-V162 PolarHBondContact O-N 3.45Å; S160-R163 CarbonylContact O-C 3.53Å; S160-R163 PolarHBondContact O-N 3.47Å |
| 161 | A | 36.1 | Very low | 53.9 | Low | 106 Ų | 106 | 110.9 Ų | 110.9 | 88% | 0.876 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -64 | -4.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L159 | L159-A161 VanDerWaalsContact C-N 3.28Å; L159-A161 PolarHBondContact O-N 3.01Å |
| 162 | V | 33.2 | Very low | 56.3 | Low | 139 Ų | 139 | 102.2 Ų | 102.2 | 84% | 0.842 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -101.6 | -9.1 | 176.5 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | S160 | S160-V162 PolarHBondContact O-N 3.45Š|
| 163 | R | 36.6 | Very low | 58.6 | Low | 212 Ų | 212 | 96.1 Ų | 96.1 | 80% | 0.8 | 53% | 0.526 | S | S | * | . | trans | -115.8 | 93 | 166.1 | -71.5 | -177.5 | -178.3 | 145.6 | -2.2 | 108.5 | S160 M165 | S160-R163 CarbonylContact O-C 3.53Å; S160-R163 PolarHBondContact O-N 3.47Å; R163-M165 VanDerWaalsContact C-N 3.31Å; R163-M165 PolarHBondContact O-N 2.85Å | ||
| 164 | T | 39.6 | Very low | 61.3 | Low | 117 Ų | 117 | 91.3 Ų | 91.3 | 72% | 0.718 | 49% | 0.494 | S | S | * | . | trans | -56.8 | 103.8 | 152.4 | 44.7 | 0 | 0 | 0 | 0 | 106.5 | E166 | T164-E166 WeakPolarHBondContact O-CG 3.22Å; T164-E166 PolarHBondContact O-N 3.09Å; T164-E166 VanDerWaalsContact O-N 3.12Å | ||
| 165 | M | 52.6 | Low | 63.2 | Low | 166 Ų | 166 | 84.8 Ų | 84.8 | 82% | 0.818 | 47% | 0.467 | S | S | * | . | trans | -61.1 | 117.7 | -173.5 | -161.8 | 156.8 | 176 | 0 | 0 | 108.1 | R163 A167 | R163-M165 VanDerWaalsContact C-N 3.31Å; R163-M165 PolarHBondContact O-N 2.85Å; M165-A167 VanDerWaalsContact C-N 3.27Å; M165-A167 PolarHBondContact O-N 2.89Å | ||
| 166 | E | 61.5 | Low | 65.9 | Low | 90 Ų | 90 | 76.9 Ų | 76.9 | 42% | 0.421 | 43% | 0.434 | S | S | . | . | trans | -80 | 79.9 | -170.9 | -54 | -148.7 | 153.8 | 0 | 0 | 109 | K51 T164 F168 | K51-E166 HydrophobicContact CD-CB 4.43Å; K51-E166 WeakPolarHBondContact CD-OE2 3.27Å; K51-E166 VanDerWaalsContact CE-CD 3.45Å; K51-E166 WeakPolarHBondContact CE-OE2 3.39Å; K51-E166 IonicContact NZ-OE1 2.69Å; K51-E166 PolarHBondContact NZ-OE1 3.22Å; K51-E166 IonicContact NZ-OE2 3.51Å; K51-E166 PolarHBondContact NZ-OE2 3.35Å; T164-E166 WeakPolarHBondContact O-CG 3.22Å; T164-E166 PolarHBondContact O-N 3.09Å; T164-E166 VanDerWaalsContact O-N 3.12Å; E166-F168 HydrophobicContact CB-CE2 4.29Å; E166-F168 WeakPolarHBondContact O-CD2 3.32Å; E166-F168 WeakPolarHBondContact O-CE2 3.43Å | ||
| 167 | A | 76.3 | Confident | 68.4 | Low | 39 Ų | 39 | 77.1 Ų | 77.1 | 32% | 0.322 | 44% | 0.444 | S | S | . | . | trans | -58.4 | 139.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | W52 M165 | W52-A167 HydrophobicContact CB-CB 4.3Å; W52-A167 WeakPolarHBondContact CB-O 3.3Å; W52-A167 HydrophobicContact CE3-CB 4.18Å; W52-A167 PolarHBondContact N-O 2.78Å; M165-A167 VanDerWaalsContact C-N 3.27Å; M165-A167 PolarHBondContact O-N 2.89Å | ||
| 168 | F | 88.1 | Confident | 71.2 | Confident | 83 Ų | 83 | 70.9 Ų | 70.9 | 36% | 0.364 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 152.7 | 171.6 | -69.7 | -98.8 | 0 | 0 | 0 | 109.3 | L49 F50 K51 E166 R227 | L49-F168 HydrophobicContact CD1-CB 3.58Å; L49-F168 HydrophobicContact CD2-CB 4.27Å; L49-F168 HydrophobicContact CD2-CD1 4.3Å; L49-F168 HydrophobicContact CG-CB 4.07Å; L49-F168 HydrophobicContact CG-CD1 4.18Å; F50-F168 WeakPolarHBondContact O-CA 3.18Å; K51-F168 HydrophobicContact CB-CD1 4.08Å; K51-F168 HydrophobicContact CB-CE1 3.85Å; K51-F168 HydrophobicContact CB-CZ 4.39Å; E166-F168 HydrophobicContact CB-CE2 4.29Å; E166-F168 WeakPolarHBondContact O-CD2 3.32Å; E166-F168 WeakPolarHBondContact O-CE2 3.43Å; F168-R227 HydrophobicContact CE1-CB 4.15Å |
| 169 | H | 92.2 | Very high | 73.9 | Confident | 5 Ų | 5 | 72.3 Ų | 72.3 | 2% | 0.023 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 135 | -179.6 | -172.3 | 46.3 | 0 | 0 | 0 | 112.5 | L49 F50 W52 D184 | L49-H169 VanDerWaalsContact CD1-C 3.48Å; L49-H169 WeakPolarHBondContact CD1-O 3.39Å; F50-H169 HydrophobicContact CE2-CB 4.37Å; F50-H169 HydrophobicContact CZ-CB 4.28Å; F50-H169 AromaticContact CZ-CD2 3.88Å; F50-H169 PolarHBondContact N-O 3.25Å; F50-H169 VanDerWaalsContact N-O 3.13Å; F50-H169 PolarHBondContact O-N 3.43Å; W52-H169 HydrophobicContact CB-CB 4.16Å; W52-H169 HydrophobicContact CG-CB 4.43Å; H169-D184 IonicContact CD2-OD1 3.46Å; H169-D184 IonicContact CE1-OD1 3.13Å; H169-D184 IonicContact NE2-OD1 2.69Å; H169-D184 PolarHBondContact NE2-OD1 3.07Å |
| 170 | F | 95.1 | Very high | 76.6 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 5% | 0.048 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 137 | 179 | -67.1 | -83.8 | 0 | 0 | 0 | 111 | F15 I47 F48 L49 C91 A92 A95 M231 | F15-F170 HydrophobicContact CE1-CE1 4.44Å; F15-F170 HydrophobicContact CE2-CE1 4.41Å; F15-F170 HydrophobicContact CE2-CZ 4.18Å; F15-F170 HydrophobicContact CZ-CD1 4.32Å; F15-F170 AromaticContact CZ-CE1 3.69Å; F15-F170 HydrophobicContact CZ-CE1 3.69Å; F15-F170 HydrophobicContact CZ-CE2 4.31Å; F15-F170 AromaticContact CZ-CZ 3.69Å; F15-F170 HydrophobicContact CZ-CZ 3.69Å; I47-F170 HydrophobicContact CG2-CB 4.45Å; I47-F170 HydrophobicContact CG2-CD1 3.57Å; I47-F170 HydrophobicContact CG2-CE1 4.27Å; I47-F170 HydrophobicContact CG2-CG 4.4Å; F48-F170 WeakPolarHBondContact O-CA 3.48Å; L49-F170 HydrophobicContact CB-CD1 3.93Å; L49-F170 HydrophobicContact CB-CE1 3.85Å; L49-F170 HydrophobicContact CD1-CD1 3.67Å; L49-F170 HydrophobicContact CD1-CD2 3.81Å; L49-F170 HydrophobicContact CD1-CE1 3.66Å; L49-F170 HydrophobicContact CD1-CE2 3.79Å; L49-F170 HydrophobicContact CD1-CG 3.76Å; L49-F170 HydrophobicContact CD1-CZ 3.71Å; L49-F170 HydrophobicContact CD2-CE1 3.93Å; L49-F170 HydrophobicContact CD2-CZ 3.92Å; L49-F170 HydrophobicContact CG-CD1 4.3Å; L49-F170 HydrophobicContact CG-CE1 4.02Å; L49-F170 HydrophobicContact CG-CZ 4.29Å; C91-F170 HydrophobicContact CB-CD2 4.1Å; A92-F170 HydrophobicContact CB-CD2 4.21Å; A92-F170 HydrophobicContact CB-CE2 3.93Å; A92-F170 HydrophobicContact CB-CZ 4.46Å; A95-F170 HydrophobicContact CB-CB 3.63Å; F170-M231 HydrophobicContact CE1-CE 3.95Å |
| 171 | V | 95.8 | Very high | 79.5 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 138.3 | 176.4 | 170.4 | 0 | 0 | 0 | 0 | 109.1 | F48 F50 Y173 E182 D184 | F48-V171 PolarHBondContact N-O 3.4Å; F48-V171 PolarHBondContact O-N 3.21Å; F50-V171 HydrophobicContact CE1-CB 4.13Å; F50-V171 HydrophobicContact CE1-CG2 3.56Å; F50-V171 HydrophobicContact CZ-CG2 3.95Å; V171-Y173 HydrophobicContact CG1-CE2 4.34Å; V171-E182 HydrophobicContact CG1-CG 3.39Å; V171-D184 HydrophobicContact CB-CB 4.43Å; V171-D184 HydrophobicContact CG1-CB 4Å; V171-D184 HydrophobicContact CG2-CB 3.61Å |
| 172 | S | 98.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 142.9 | -176.3 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | F46 A95 E182 L183 | F46-S172 CarbonylContact O-C 3.59Å; F46-S172 VanDerWaalsContact O-CA 3.3Å; F46-S172 WeakPolarHBondContact O-CA 3.19Å; A95-S172 WeakPolarHBondContact CA-OG 3.45Å; A95-S172 WeakPolarHBondContact CB-OG 2.86Å; A95-S172 PolarHBondContact O-OG 2.95Å; S172-E182 CarbonylContact O-C 3.45Å; S172-E182 WeakPolarHBondContact O-CA 3.12Å; S172-L183 PolarHBondContact N-O 3.2Å; S172-L183 PolarHBondContact O-N 3.48Å |
| 173 | Y | 98 | Very high | 85.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 121 | 172.8 | -69.8 | -85 | 0 | 0 | 0 | 109.6 | G45 F46 F48 V171 L180 F181 E182 H193 V209 I210 R213 | G45-Y173 CarbonylContact C-O 3.53Å; G45-Y173 VanDerWaalsContact CA-O 3.24Å; G45-Y173 WeakPolarHBondContact CA-O 3.32Å; F46-Y173 PolarHBondContact N-O 3.41Å; F46-Y173 PolarHBondContact O-N 2.9Å; F48-Y173 HydrophobicContact CB-CD2 4.2Å; F48-Y173 HydrophobicContact CB-CE2 3.87Å; F48-Y173 HydrophobicContact CD1-CE2 4.38Å; F48-Y173 HydrophobicContact CG-CE2 4.42Å; V171-Y173 HydrophobicContact CG1-CE2 4.34Å; Y173-L180 HydrophobicContact CD1-CD1 4.47Å; Y173-F181 VanDerWaalsContact CA-O 3.31Å; Y173-F181 WeakPolarHBondContact CA-O 3.36Å; Y173-E182 HydrophobicContact CD1-CB 4Å; Y173-E182 HydrophobicContact CD1-CG 4.36Å; Y173-E182 HydrophobicContact CE1-CB 3.6Å; Y173-E182 HydrophobicContact CE1-CG 3.69Å; Y173-E182 WeakPolarHBondContact CE1-OE2 3.4Å; Y173-E182 VanDerWaalsContact OH-CD 3.28Å; Y173-E182 PolarHBondContact OH-OE2 3.35Å; Y173-H193 AromaticContact CE1-NE2 3.92Å; Y173-V209 HydrophobicContact CE1-CG1 3.88Å; Y173-I210 HydrophobicContact CD2-CD1 3.75Å; Y173-I210 HydrophobicContact CD2-CG1 3.94Å; Y173-I210 HydrophobicContact CE2-CD1 4.03Å; Y173-I210 HydrophobicContact CE2-CG1 3.7Å; Y173-I210 HydrophobicContact CG-CD1 4.23Å; Y173-I210 HydrophobicContact CG-CG1 4.46Å; Y173-R213 WeakPolarHBondContact OH-CD 3.44Å; Y173-R213 PolarHBondContact OH-NH1 3.44Å |
| 174 | V | 97.5 | Very high | 88.2 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 143.8 | -173.1 | -67.8 | 0 | 0 | 0 | 0 | 112.8 | V99 I176 F181 L183 | V99-V174 HydrophobicContact CB-CG1 4.28Å; V99-V174 HydrophobicContact CG1-CG1 4.4Å; V99-V174 HydrophobicContact CG2-CG1 3.99Å; V174-I176 HydrophobicContact CG2-CD1 3.91Å; V174-I176 HydrophobicContact CG2-CG1 3.98Å; V174-F181 HydrophobicContact CG2-CB 4.1Å; V174-F181 PolarHBondContact N-O 2.94Å; V174-F181 PolarHBondContact O-N 3.34Å; V174-L183 HydrophobicContact CG2-CD1 3.67Å; V174-L183 HydrophobicContact CG2-CG 4.07Å |
| 175 | P | 96.4 | Very high | 90.9 | Very high | 40 Ų | 40 | 36.2 Ų | 36.2 | 26% | 0.26 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 121.4 | 168.2 | 32.8 | -32.1 | 0 | 0 | 0 | 110.4 | W196 W202 | P175-W196 HydrophobicContact CB-CH2 3.73Å; P175-W196 HydrophobicContact CB-CZ3 4.01Å; P175-W202 HydrophobicContact CB-CB 4.26Å; P175-W202 HydrophobicContact CB-CD2 3.85Å; P175-W202 HydrophobicContact CB-CE3 4.26Å; P175-W202 HydrophobicContact CB-CG 3.84Å; P175-W202 HydrophobicContact CG-CD2 3.81Å; P175-W202 HydrophobicContact CG-CE3 4.28Å; P175-W202 HydrophobicContact CG-CG 4.14Å; P175-W202 HydrophobicContact CG-CZ2 4.08Å |
| 176 | I | 95.2 | Very high | 92.7 | Very high | 32 Ų | 32 | 31.6 Ų | 31.6 | 16% | 0.164 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 127.9 | 171.7 | -52.2 | 177.2 | 0 | 0 | 0 | 107.7 | M80 N102 V174 G178 R179 F181 | M80-I176 HydrophobicContact CB-CD1 4.1Å; M80-I176 HydrophobicContact SD-CD1 4.41Å; N102-I176 HydrophobicContact CB-CD1 4.25Å; N102-I176 HydrophobicContact CB-CG1 4.49Å; V174-I176 HydrophobicContact CG2-CD1 3.91Å; V174-I176 HydrophobicContact CG2-CG1 3.98Å; I176-G178 PolarHBondContact O-N 3.48Å; I176-R179 PolarHBondContact N-O 3.5Å; I176-R179 PolarHBondContact O-N 2.87Å; I176-R179 VanDerWaalsContact O-O 3.09Å; I176-F181 HydrophobicContact CB-CD2 3.68Å; I176-F181 HydrophobicContact CB-CE2 3.84Å; I176-F181 HydrophobicContact CD1-CB 4.48Å; I176-F181 HydrophobicContact CD1-CD2 4.06Å; I176-F181 HydrophobicContact CD1-CG 4.37Å; I176-F181 HydrophobicContact CG1-CD2 4.02Å |
| 177 | T | 92.8 | Very high | 94.2 | Very high | 131 Ų | 131 | 29.8 Ų | 29.8 | 80% | 0.804 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 39.1 | 175.2 | 51.9 | 0 | 0 | 0 | 0 | 115.6 | ||
| 178 | G | 93 | Very high | 95 | Very high | 37 Ų | 37 | 32.2 Ų | 32.2 | 38% | 0.381 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 10.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | I176 P195 W196 | I176-G178 PolarHBondContact O-N 3.48Å; G178-P195 WeakPolarHBondContact O-CA 3.35Å; G178-P195 WeakPolarHBondContact O-CB 3.46Å; G178-W196 VanDerWaalsContact C-CH2 3.45Å; G178-W196 VanDerWaalsContact C-CZ3 3.43Å |
| 179 | R | 95.7 | Very high | 95.3 | Very high | 97 Ų | 97 | 31.5 Ų | 31.5 | 37% | 0.366 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 149.6 | -178.1 | -51.7 | 178.7 | 72 | 90.2 | -6.2 | 110.8 | I176 F181 D192 | I176-R179 PolarHBondContact N-O 3.5Å; I176-R179 PolarHBondContact O-N 2.87Å; I176-R179 VanDerWaalsContact O-O 3.09Å; R179-F181 HydrophobicContact CB-CD2 4.41Å; R179-F181 HydrophobicContact CB-CE2 3.82Å; R179-F181 HydrophobicContact CB-CZ 4.47Å; R179-D192 IonicContact CZ-OD1 3.24Å; R179-D192 IonicContact CZ-OD2 2.75Å; R179-D192 IonicContact NE-OD1 3.39Å; R179-D192 PolarHBondContact NE-OD1 3.27Å; R179-D192 IonicContact NE-OD2 3.55Å; R179-D192 PolarHBondContact NE-OD2 3.43Å; R179-D192 IonicContact NH2-OD1 3.78Å; R179-D192 IonicContact NH2-OD2 3.13Å; R179-D192 PolarHBondContact NH2-OD2 2.84Å |
| 180 | L | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 118.3 | 178.9 | 174 | 65.1 | 0 | 0 | 0 | 110.6 | Y173 H193 G194 W202 K205 A206 V209 | Y173-L180 HydrophobicContact CD1-CD1 4.47Å; L180-H193 HydrophobicContact CB-CB 4.2Å; L180-H193 HydrophobicContact CD2-CB 4.02Å; L180-H193 HydrophobicContact CG-CB 4.15Å; L180-H193 PolarHBondContact O-N 3.02Å; L180-G194 PolarHBondContact N-O 3.34Å; L180-W202 HydrophobicContact CD1-CE3 4.07Å; L180-W202 HydrophobicContact CD1-CZ3 4.24Å; L180-K205 HydrophobicContact CB-CG 4.26Å; L180-K205 HydrophobicContact CD2-CG 3.77Å; L180-A206 HydrophobicContact CD1-CB 4.03Å; L180-A206 HydrophobicContact CD2-CB 4.01Å; L180-V209 HydrophobicContact CD2-CB 4.44Å; L180-V209 HydrophobicContact CD2-CG2 4.05Å |
| 181 | F | 97.5 | Very high | 95.6 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 139.8 | 176.1 | -72.7 | -89.2 | 0 | 0 | 0 | 112.6 | V71 M80 Y173 V174 I176 R179 L183 I191 D192 | V71-F181 HydrophobicContact CG2-CE1 3.88Å; M80-F181 HydrophobicContact CE-CD1 4.03Å; M80-F181 HydrophobicContact CE-CE1 3.73Å; M80-F181 HydrophobicContact CE-CZ 4.12Å; Y173-F181 VanDerWaalsContact CA-O 3.31Å; Y173-F181 WeakPolarHBondContact CA-O 3.36Å; V174-F181 HydrophobicContact CG2-CB 4.1Å; V174-F181 PolarHBondContact N-O 2.94Å; V174-F181 PolarHBondContact O-N 3.34Å; I176-F181 HydrophobicContact CB-CD2 3.68Å; I176-F181 HydrophobicContact CB-CE2 3.84Å; I176-F181 HydrophobicContact CD1-CB 4.48Å; I176-F181 HydrophobicContact CD1-CD2 4.06Å; I176-F181 HydrophobicContact CD1-CG 4.37Å; I176-F181 HydrophobicContact CG1-CD2 4.02Å; R179-F181 HydrophobicContact CB-CD2 4.41Å; R179-F181 HydrophobicContact CB-CE2 3.82Å; R179-F181 HydrophobicContact CB-CZ 4.47Å; F181-L183 HydrophobicContact CB-CD2 4.23Å; F181-I191 CarbonylContact C-O 3.58Å; F181-I191 VanDerWaalsContact CA-O 3.32Å; F181-I191 WeakPolarHBondContact CA-O 3.08Å; F181-D192 HydrophobicContact CD1-CB 4.14Å; F181-D192 HydrophobicContact CE1-CB 3.72Å; F181-D192 HydrophobicContact CZ-CB 4.32Å |
| 182 | E | 97.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.6 | 166.1 | 178.6 | -176.7 | 135.7 | 0 | 0 | 109.7 | V171 S172 Y173 K187 I191 H193 R213 | V171-E182 HydrophobicContact CG1-CG 3.39Å; S172-E182 CarbonylContact O-C 3.45Å; S172-E182 WeakPolarHBondContact O-CA 3.12Å; Y173-E182 HydrophobicContact CD1-CB 4Å; Y173-E182 HydrophobicContact CD1-CG 4.36Å; Y173-E182 HydrophobicContact CE1-CB 3.6Å; Y173-E182 HydrophobicContact CE1-CG 3.69Å; Y173-E182 WeakPolarHBondContact CE1-OE2 3.4Å; Y173-E182 VanDerWaalsContact OH-CD 3.28Å; Y173-E182 PolarHBondContact OH-OE2 3.35Å; E182-K187 IonicContact OE1-NZ 2.75Å; E182-K187 PolarHBondContact OE1-NZ 2.69Å; E182-I191 HydrophobicContact CB-CB 4.19Å; E182-I191 PolarHBondContact N-O 3.41Å; E182-I191 PolarHBondContact O-N 2.8Å; E182-H193 WeakPolarHBondContact CB-NE2 3.24Å; E182-H193 IonicContact OE2-CE1 3.16Å; E182-H193 IonicContact OE2-NE2 2.77Å; E182-H193 PolarHBondContact OE2-NE2 2.75Å; E182-H193 VanDerWaalsContact OE2-NE2 3.17Å; E182-R213 IonicContact OE1-CZ 2.72Å; E182-R213 IonicContact OE1-NH1 3.24Å; E182-R213 PolarHBondContact OE1-NH1 2.91Å; E182-R213 IonicContact OE1-NH2 3.87Å; E182-R213 IonicContact OE2-NH1 2.93Å; E182-R213 PolarHBondContact OE2-NH1 3.24Å |
| 183 | L | 97.2 | Very high | 95.4 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 95.8 | -179.1 | -53.1 | -176.8 | 0 | 0 | 0 | 108.9 | M80 F82 N102 S172 V174 F181 P190 | M80-L183 HydrophobicContact SD-CD2 4.11Å; F82-L183 HydrophobicContact CB-CD2 4.29Å; F82-L183 HydrophobicContact CD2-CB 4.11Å; F82-L183 HydrophobicContact CD2-CD2 3.86Å; F82-L183 HydrophobicContact CD2-CG 4.5Å; F82-L183 HydrophobicContact CG-CD2 4.37Å; N102-L183 WeakPolarHBondContact ND2-CD1 3.24Å; S172-L183 PolarHBondContact N-O 3.2Å; S172-L183 PolarHBondContact O-N 3.48Å; V174-L183 HydrophobicContact CG2-CD1 3.67Å; V174-L183 HydrophobicContact CG2-CG 4.07Å; F181-L183 HydrophobicContact CB-CD2 4.23Å; L183-P190 HydrophobicContact CD2-CB 3.55Å |
| 184 | D | 95.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.011 | 19% | 0.194 | C | C | . | . | trans | -104.3 | 108.9 | 175.1 | 178.6 | -14.6 | 0 | 0 | 0 | 108.7 | R57 H169 V171 L186 K187 | R57-D184 IonicContact NH2-OD1 3.86Å; R57-D184 IonicContact NH2-OD2 2.68Å; R57-D184 PolarHBondContact NH2-OD2 2.94Å; H169-D184 IonicContact CD2-OD1 3.46Å; H169-D184 IonicContact CE1-OD1 3.13Å; H169-D184 IonicContact NE2-OD1 2.69Å; H169-D184 PolarHBondContact NE2-OD1 3.07Å; V171-D184 HydrophobicContact CB-CB 4.43Å; V171-D184 HydrophobicContact CG1-CB 4Å; V171-D184 HydrophobicContact CG2-CB 3.61Å; D184-L186 PolarHBondContact O-N 3.37Å; D184-L186 PolarHBondContact OD1-N 2.79Å; D184-K187 HydrophobicContact CB-CB 4.28Å; D184-K187 HydrophobicContact CB-CD 3.78Å; D184-K187 HydrophobicContact CB-CG 3.83Å; D184-K187 PolarHBondContact O-N 3.36Å; D184-K187 WeakPolarHBondContact OD2-CE 3.45Å | ||
| 185 | G | 94.7 | Very high | 95.2 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 13% | 0.134 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -7.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | Q85 | Q85-G185 PolarHBondContact N-O 3.47Š|
| 186 | L | 92.3 | Very high | 95.1 | Very high | 70 Ų | 70 | 39.8 Ų | 39.8 | 37% | 0.366 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 13.8 | 172.5 | -59.2 | 178 | 0 | 0 | 0 | 112.9 | Q85 D184 | Q85-L186 HydrophobicContact CB-CD2 4.29Å; D184-L186 PolarHBondContact O-N 3.37Å; D184-L186 PolarHBondContact OD1-N 2.79Å |
| 187 | K | 92.2 | Very high | 94.8 | Very high | 52 Ų | 52 | 39.9 Ų | 39.9 | 23% | 0.226 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -105.7 | 154.2 | 166.8 | -69.6 | -178.2 | -172.8 | 172.9 | 0 | 110.4 | H84 E182 D184 I191 | H84-K187 PolarHBondContact CD2-O 3.48Å; H84-K187 VanDerWaalsContact CD2-O 3.27Å; H84-K187 PolarHBondContact NE2-O 3.49Å; E182-K187 IonicContact OE1-NZ 2.75Å; E182-K187 PolarHBondContact OE1-NZ 2.69Å; D184-K187 HydrophobicContact CB-CB 4.28Å; D184-K187 HydrophobicContact CB-CD 3.78Å; D184-K187 HydrophobicContact CB-CG 3.83Å; D184-K187 PolarHBondContact O-N 3.36Å; D184-K187 WeakPolarHBondContact OD2-CE 3.45Å; K187-I191 HydrophobicContact CD-CD1 4.17Å; K187-I191 HydrophobicContact CD-CG1 4.45Å |
| 188 | V | 92.7 | Very high | 94.6 | Very high | 90 Ų | 90 | 43.4 Ų | 43.4 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -69.4 | -37.5 | 176.4 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | H84 | H84-V188 PolarHBondContact NE2-O 3.41Š|
| 189 | Y | 95.5 | Very high | 94.4 | Very high | 68 Ų | 68 | 50.1 Ų | 50.1 | 27% | 0.267 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -127.1 | 151.7 | -174.5 | -60.5 | -70.1 | 0 | 0 | 0 | 111.3 | V66 V71 I72 | V66-Y189 HydrophobicContact CG2-CE2 4.3Å; V71-Y189 VanDerWaalsContact O-CD1 3.3Å; V71-Y189 WeakPolarHBondContact O-CD1 3.41Å; I72-Y189 HydrophobicContact CB-CE1 4.49Å; I72-Y189 HydrophobicContact CG2-CE1 3.91Å; I72-Y189 HydrophobicContact CG2-CE2 4.36Å |
| 190 | P | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -72.9 | 152 | 168.3 | 33.1 | -32.3 | 0 | 0 | 0 | 110.1 | V71 V77 M80 F82 L183 | V71-P190 HydrophobicContact CB-CG 4.33Å; V71-P190 PolarHBondContact N-O 3.23Å; V77-P190 HydrophobicContact CG2-CG 3.88Å; M80-P190 HydrophobicContact CE-CG 4.14Å; M80-P190 HydrophobicContact SD-CB 4.01Å; M80-P190 HydrophobicContact SD-CG 3.78Å; F82-P190 HydrophobicContact CD1-CB 4.27Å; F82-P190 HydrophobicContact CD1-CG 4.11Å; F82-P190 HydrophobicContact CD2-CB 4.15Å; F82-P190 HydrophobicContact CE2-CB 4.43Å; F82-P190 HydrophobicContact CG-CB 4.06Å; F82-P190 HydrophobicContact CG-CG 4.26Å; L183-P190 HydrophobicContact CD2-CB 3.55Å | ||
| 191 | I | 95.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 131.7 | 179.2 | -70.8 | -169.6 | 0 | 0 | 0 | 110.5 | D67 T69 F181 E182 K187 | D67-I191 HydrophobicContact CB-CD1 4.42Å; T69-I191 WeakPolarHBondContact O-CA 2.94Å; T69-I191 WeakPolarHBondContact OG1-CG2 3.42Å; F181-I191 CarbonylContact C-O 3.58Å; F181-I191 VanDerWaalsContact CA-O 3.32Å; F181-I191 WeakPolarHBondContact CA-O 3.08Å; E182-I191 HydrophobicContact CB-CB 4.19Å; E182-I191 PolarHBondContact N-O 3.41Å; E182-I191 PolarHBondContact O-N 2.8Å; K187-I191 HydrophobicContact CD-CD1 4.17Å; K187-I191 HydrophobicContact CD-CG1 4.45Å |
| 192 | D | 96.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 112.5 | 176.6 | -178.1 | 3.1 | 0 | 0 | 0 | 110 | T69 V71 R179 F181 G194 | T69-D192 WeakPolarHBondContact CB-O 3.48Å; T69-D192 PolarHBondContact O-N 2.96Å; V71-D192 HydrophobicContact CG2-CB 3.85Å; R179-D192 IonicContact CZ-OD1 3.24Å; R179-D192 IonicContact CZ-OD2 2.75Å; R179-D192 IonicContact NE-OD1 3.39Å; R179-D192 PolarHBondContact NE-OD1 3.27Å; R179-D192 IonicContact NE-OD2 3.55Å; R179-D192 PolarHBondContact NE-OD2 3.43Å; R179-D192 IonicContact NH2-OD1 3.78Å; R179-D192 IonicContact NH2-OD2 3.13Å; R179-D192 PolarHBondContact NH2-OD2 2.84Å; F181-D192 HydrophobicContact CD1-CB 4.14Å; F181-D192 HydrophobicContact CE1-CB 3.72Å; F181-D192 HydrophobicContact CZ-CB 4.32Å; D192-G194 PolarHBondContact O-N 3.43Å; D192-G194 VanDerWaalsContact OD1-CA 3.27Å; D192-G194 WeakPolarHBondContact OD1-CA 3.42Å; D192-G194 PolarHBondContact OD1-N 3.14Å |
| 193 | H | 95.4 | Very high | 93.6 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 22% | 0.218 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 5.4 | 175.4 | -69 | -82.7 | 0 | 0 | 0 | 112.4 | Y173 L180 E182 K205 V209 | Y173-H193 AromaticContact CE1-NE2 3.92Å; L180-H193 HydrophobicContact CB-CB 4.2Å; L180-H193 HydrophobicContact CD2-CB 4.02Å; L180-H193 HydrophobicContact CG-CB 4.15Å; L180-H193 PolarHBondContact O-N 3.02Å; E182-H193 WeakPolarHBondContact CB-NE2 3.24Å; E182-H193 IonicContact OE2-CE1 3.16Å; E182-H193 IonicContact OE2-NE2 2.77Å; E182-H193 PolarHBondContact OE2-NE2 2.75Å; E182-H193 VanDerWaalsContact OE2-NE2 3.17Å; H193-K205 WeakPolarHBondContact O-CE 3.43Å; H193-K205 PolarHBondContact O-NZ 2.76Å; H193-V209 HydrophobicContact CB-CG2 4.14Å; H193-V209 VanDerWaalsContact CE1-CG1 3.41Å; H193-V209 WeakPolarHBondContact CE1-CG1 3.32Å |
| 194 | G | 94.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 78 | -175.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | L180 D192 | L180-G194 PolarHBondContact N-O 3.34Å; D192-G194 PolarHBondContact O-N 3.43Å; D192-G194 VanDerWaalsContact OD1-CA 3.27Å; D192-G194 WeakPolarHBondContact OD1-CA 3.42Å; D192-G194 PolarHBondContact OD1-N 3.14Å |
| 195 | P | 95.6 | Very high | 93.3 | Very high | 72 Ų | 72 | 55.4 Ų | 55.4 | 47% | 0.468 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 164.6 | 177.4 | 31.2 | -35.8 | 0 | 0 | 0 | 112.7 | G178 K205 | G178-P195 WeakPolarHBondContact O-CA 3.35Å; G178-P195 WeakPolarHBondContact O-CB 3.46Å; P195-K205 WeakPolarHBondContact O-CE 3.3Å; P195-K205 PolarHBondContact O-NZ 2.64Å |
| 196 | W | 94.1 | Very high | 93.3 | Very high | 72 Ų | 72 | 54.8 Ų | 54.8 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -95.3 | 169.5 | 163.9 | 52.9 | 88.1 | 0 | 0 | 0 | 110.3 | P175 G178 E200 W202 K205 | P175-W196 HydrophobicContact CB-CH2 3.73Å; P175-W196 HydrophobicContact CB-CZ3 4.01Å; G178-W196 VanDerWaalsContact C-CH2 3.45Å; G178-W196 VanDerWaalsContact C-CZ3 3.43Å; W196-E200 HydrophobicContact CB-CB 4.41Å; W196-W202 HydrophobicContact CD2-CB 3.51Å; W196-W202 HydrophobicContact CE3-CB 3.36Å; W196-W202 HydrophobicContact CG-CB 4.26Å; W196-W202 HydrophobicContact CH2-CB 3.62Å; W196-W202 HydrophobicContact CH2-CG 4.43Å; W196-W202 HydrophobicContact CZ2-CB 3.77Å; W196-W202 HydrophobicContact CZ3-CB 3.41Å; W196-W202 VanDerWaalsContact CZ3-CB 3.41Å; W196-W202 HydrophobicContact CZ3-CG 4.45Å; W196-K205 HydrophobicContact CB-CB 3.78Å; W196-K205 HydrophobicContact CB-CG 4.16Å |
| 197 | G | 90.3 | Very high | 93.3 | Very high | 34 Ų | 34 | 52.3 Ų | 52.3 | 35% | 0.351 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 159.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D199 E200 | G197-D199 VanDerWaalsContact C-N 3.33Å; G197-D199 PolarHBondContact O-N 3.45Å; G197-E200 PolarHBondContact N-OE2 2.85Å; G197-E200 WeakPolarHBondContact O-CB 3.31Å; G197-E200 PolarHBondContact O-N 2.81Å |
| 198 | E | 87.9 | Confident | 93.2 | Very high | 204 Ų | 204 | 56.4 Ų | 56.4 | 95% | 0.953 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -38.4 | 179.2 | -63.8 | -179.2 | 179.6 | 0 | 0 | 112.3 | E200 | E198-E200 VanDerWaalsContact C-N 3.28Å; E198-E200 PolarHBondContact O-N 3.32Å |
| 199 | D | 88.6 | Confident | 93.2 | Very high | 178 Ų | 178 | 53 Ų | 53 | 95% | 0.952 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 9.4 | 172.7 | -59 | -62.2 | 0 | 0 | 0 | 113.8 | G197 | G197-D199 VanDerWaalsContact C-N 3.33Å; G197-D199 PolarHBondContact O-N 3.45Å |
| 200 | E | 89.7 | Confident | 93 | Very high | 43 Ų | 43 | 49.8 Ų | 49.8 | 20% | 0.201 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -113.6 | 143.4 | -172.3 | -159.3 | -167.3 | 175.6 | 0 | 0 | 112.3 | W196 G197 E198 D204 K205 R208 | W196-E200 HydrophobicContact CB-CB 4.41Å; G197-E200 PolarHBondContact N-OE2 2.85Å; G197-E200 WeakPolarHBondContact O-CB 3.31Å; G197-E200 PolarHBondContact O-N 2.81Å; E198-E200 VanDerWaalsContact C-N 3.28Å; E198-E200 PolarHBondContact O-N 3.32Å; E200-D204 HydrophobicContact CG-CB 3.94Å; E200-D204 WeakPolarHBondContact OE1-CB 3.18Å; E200-K205 WeakPolarHBondContact OE1-CA 3.2Å; E200-K205 PolarHBondContact OE1-N 2.92Å; E200-R208 IonicContact OE1-CZ 3.44Å; E200-R208 IonicContact OE1-NE 3.19Å; E200-R208 PolarHBondContact OE1-NE 2.98Å; E200-R208 IonicContact OE1-NH2 2.74Å; E200-R208 PolarHBondContact OE1-NH2 3.32Å; E200-R208 IonicContact OE2-CZ 3.31Å; E200-R208 IonicContact OE2-NH2 3.54Å; E200-R208 PolarHBondContact OE2-NH2 3.06Å |
| 201 | E | 91.8 | Very high | 92.6 | Very high | 82 Ų | 82 | 53 Ų | 53 | 38% | 0.383 | 26% | 0.264 | S | S | . | . | trans | -79.6 | 144.1 | 164.3 | -70.2 | 173.5 | -123.1 | 0 | 0 | 111.1 | K38 T203 D204 K205 | K38-E201 IonicContact NZ-OE1 4Å; K38-E201 PolarHBondContact NZ-OE1 3.26Å; E201-T203 VanDerWaalsContact CB-OG1 3.26Å; E201-T203 WeakPolarHBondContact CB-OG1 3.44Å; E201-T203 PolarHBondContact O-N 2.85Å; E201-T203 PolarHBondContact OE2-OG1 2.76Å; E201-D204 PolarHBondContact O-N 3.2Å; E201-K205 PolarHBondContact O-N 2.74Å | ||
| 202 | W | 95.1 | Very high | 92.2 | Very high | 31 Ų | 31 | 58.9 Ų | 58.9 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -53.5 | -28.4 | 169.2 | 83.2 | -97 | 0 | 0 | 0 | 112.7 | V43 F46 P175 L180 W196 D204 K205 A206 | V43-W202 HydrophobicContact CB-CH2 4.43Å; V43-W202 HydrophobicContact CB-CZ2 3.75Å; V43-W202 HydrophobicContact CG1-CH2 3.99Å; V43-W202 HydrophobicContact CG1-CZ2 3.77Å; V43-W202 WeakPolarHBondContact O-CZ2 3.27Å; F46-W202 AromaticContact CD2-CH2 3.51Å; F46-W202 HydrophobicContact CD2-CH2 3.51Å; F46-W202 AromaticContact CD2-CZ3 3.62Å; F46-W202 HydrophobicContact CD2-CZ3 3.62Å; F46-W202 AromaticContact CE2-CH2 3.46Å; F46-W202 HydrophobicContact CE2-CH2 3.46Å; F46-W202 VanDerWaalsContact CE2-CH2 3.46Å; F46-W202 HydrophobicContact CE2-CZ2 4.3Å; F46-W202 AromaticContact CE2-CZ3 3.63Å; F46-W202 HydrophobicContact CE2-CZ3 3.63Å; P175-W202 HydrophobicContact CB-CB 4.26Å; P175-W202 HydrophobicContact CB-CD2 3.85Å; P175-W202 HydrophobicContact CB-CE3 4.26Å; P175-W202 HydrophobicContact CB-CG 3.84Å; P175-W202 HydrophobicContact CG-CD2 3.81Å; P175-W202 HydrophobicContact CG-CE3 4.28Å; P175-W202 HydrophobicContact CG-CG 4.14Å; P175-W202 HydrophobicContact CG-CZ2 4.08Å; L180-W202 HydrophobicContact CD1-CE3 4.07Å; L180-W202 HydrophobicContact CD1-CZ3 4.24Å; W196-W202 HydrophobicContact CD2-CB 3.51Å; W196-W202 HydrophobicContact CE3-CB 3.36Å; W196-W202 HydrophobicContact CG-CB 4.26Å; W196-W202 HydrophobicContact CH2-CB 3.62Å; W196-W202 HydrophobicContact CH2-CG 4.43Å; W196-W202 HydrophobicContact CZ2-CB 3.77Å; W196-W202 HydrophobicContact CZ3-CB 3.41Å; W196-W202 VanDerWaalsContact CZ3-CB 3.41Å; W196-W202 HydrophobicContact CZ3-CG 4.45Å; W202-D204 VanDerWaalsContact C-N 3.35Å; W202-K205 PolarHBondContact O-N 3.44Å; W202-A206 HydrophobicContact CE3-CB 4.01Å; W202-A206 HydrophobicContact CZ3-CB 3.84Å; W202-A206 WeakPolarHBondContact O-CB 3.44Å; W202-A206 PolarHBondContact O-N 2.9Å |
| 203 | T | 94.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.1 | -35.1 | 177.6 | 65.6 | 0 | 0 | 0 | 0 | 112.1 | V43 E201 R207 | V43-T203 HydrophobicContact CB-CG2 4.15Å; V43-T203 HydrophobicContact CG2-CG2 4.15Å; E201-T203 VanDerWaalsContact CB-OG1 3.26Å; E201-T203 WeakPolarHBondContact CB-OG1 3.44Å; E201-T203 PolarHBondContact O-N 2.85Å; E201-T203 PolarHBondContact OE2-OG1 2.76Å; T203-R207 WeakPolarHBondContact O-CG 3.1Å; T203-R207 PolarHBondContact O-N 2.89Å; T203-R207 PolarHBondContact O-NH1 2.85Å |
| 204 | D | 92.7 | Very high | 91 | Very high | 27 Ų | 27 | 59.7 Ų | 59.7 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -74 | -42.9 | 178.3 | -65.6 | -32.7 | 0 | 0 | 0 | 110.3 | K38 E200 E201 W202 A206 R207 R208 | K38-D204 IonicContact NZ-OD1 3.85Å; K38-D204 IonicContact NZ-OD2 2.64Å; K38-D204 PolarHBondContact NZ-OD2 3.49Å; E200-D204 HydrophobicContact CG-CB 3.94Å; E200-D204 WeakPolarHBondContact OE1-CB 3.18Å; E201-D204 PolarHBondContact O-N 3.2Å; W202-D204 VanDerWaalsContact C-N 3.35Å; D204-A206 VanDerWaalsContact C-N 3.33Å; D204-A206 PolarHBondContact O-N 3.5Å; D204-R207 PolarHBondContact O-N 3.42Å; D204-R207 IonicContact OD1-CZ 3.01Å; D204-R207 IonicContact OD1-NH1 2.76Å; D204-R207 PolarHBondContact OD1-NH1 3.03Å; D204-R207 IonicContact OD1-NH2 2.68Å; D204-R207 PolarHBondContact OD1-NH2 2.79Å; D204-R208 WeakPolarHBondContact O-CG 3.37Å; D204-R208 PolarHBondContact O-N 3.39Å |
| 205 | K | 94.3 | Very high | 90.2 | Very high | 38 Ų | 38 | 60.2 Ų | 60.2 | 17% | 0.165 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.9 | -46 | 170.2 | 176 | 79.8 | -178 | -146.5 | 0 | 111.5 | L180 H193 P195 W196 E200 E201 W202 R208 V209 | L180-K205 HydrophobicContact CB-CG 4.26Å; L180-K205 HydrophobicContact CD2-CG 3.77Å; H193-K205 WeakPolarHBondContact O-CE 3.43Å; H193-K205 PolarHBondContact O-NZ 2.76Å; P195-K205 WeakPolarHBondContact O-CE 3.3Å; P195-K205 PolarHBondContact O-NZ 2.64Å; W196-K205 HydrophobicContact CB-CB 3.78Å; W196-K205 HydrophobicContact CB-CG 4.16Å; E200-K205 WeakPolarHBondContact OE1-CA 3.2Å; E200-K205 PolarHBondContact OE1-N 2.92Å; E201-K205 PolarHBondContact O-N 2.74Å; W202-K205 PolarHBondContact O-N 3.44Å; K205-R208 PolarHBondContact O-N 3.3Å; K205-V209 WeakPolarHBondContact O-CG2 3.45Å; K205-V209 PolarHBondContact O-N 3.34Å; K205-V209 VanDerWaalsContact O-N 3.13Å |
| 206 | A | 95 | Very high | 89.2 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F46 L180 W202 D204 R208 V209 I210 | F46-A206 HydrophobicContact CD2-CB 3.92Å; F46-A206 HydrophobicContact CE2-CB 3.84Å; L180-A206 HydrophobicContact CD1-CB 4.03Å; L180-A206 HydrophobicContact CD2-CB 4.01Å; W202-A206 HydrophobicContact CE3-CB 4.01Å; W202-A206 HydrophobicContact CZ3-CB 3.84Å; W202-A206 WeakPolarHBondContact O-CB 3.44Å; W202-A206 PolarHBondContact O-N 2.9Å; D204-A206 VanDerWaalsContact C-N 3.33Å; D204-A206 PolarHBondContact O-N 3.5Å; A206-R208 VanDerWaalsContact C-N 3.32Å; A206-R208 PolarHBondContact O-N 3.15Å; A206-V209 PolarHBondContact O-N 3.4Å; A206-I210 VanDerWaalsContact O-CG1 3.3Å; A206-I210 WeakPolarHBondContact O-CG1 3.34Å; A206-I210 PolarHBondContact O-N 3.49Å |
| 207 | R | 91.7 | Very high | 87.9 | Confident | 17 Ų | 17 | 60.5 Ų | 60.5 | 6% | 0.064 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.3 | -35 | 177 | -67.6 | -169.3 | -34.1 | -74.4 | 9.1 | 112.1 | L35 S37 T203 D204 M211 | L35-R207 VanDerWaalsContact O-CD 3.32Å; L35-R207 WeakPolarHBondContact O-CD 3.33Å; L35-R207 PolarHBondContact O-NE 2.84Å; S37-R207 PolarHBondContact O-NE 3.33Å; S37-R207 PolarHBondContact O-NH2 3.38Å; T203-R207 WeakPolarHBondContact O-CG 3.1Å; T203-R207 PolarHBondContact O-N 2.89Å; T203-R207 PolarHBondContact O-NH1 2.85Å; D204-R207 PolarHBondContact O-N 3.42Å; D204-R207 IonicContact OD1-CZ 3.01Å; D204-R207 IonicContact OD1-NH1 2.76Å; D204-R207 PolarHBondContact OD1-NH1 3.03Å; D204-R207 IonicContact OD1-NH2 2.68Å; D204-R207 PolarHBondContact OD1-NH2 2.79Å; R207-M211 WeakPolarHBondContact O-CB 3.18Å; R207-M211 PolarHBondContact O-N 3.06Å |
| 208 | R | 90.7 | Very high | 86.9 | Confident | 139 Ų | 139 | 60.2 Ų | 60.2 | 53% | 0.525 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.7 | -50.5 | 172.3 | -71.3 | -173.8 | -66.4 | 150.6 | 1.8 | 112.2 | E200 D204 K205 A206 I210 M211 E212 | E200-R208 IonicContact OE1-CZ 3.44Å; E200-R208 IonicContact OE1-NE 3.19Å; E200-R208 PolarHBondContact OE1-NE 2.98Å; E200-R208 IonicContact OE1-NH2 2.74Å; E200-R208 PolarHBondContact OE1-NH2 3.32Å; E200-R208 IonicContact OE2-CZ 3.31Å; E200-R208 IonicContact OE2-NH2 3.54Å; E200-R208 PolarHBondContact OE2-NH2 3.06Å; D204-R208 WeakPolarHBondContact O-CG 3.37Å; D204-R208 PolarHBondContact O-N 3.39Å; K205-R208 PolarHBondContact O-N 3.3Å; A206-R208 VanDerWaalsContact C-N 3.32Å; A206-R208 PolarHBondContact O-N 3.15Å; R208-I210 PolarHBondContact O-N 3.44Å; R208-M211 PolarHBondContact O-N 3.06Å; R208-E212 PolarHBondContact O-N 2.72Å |
| 209 | V | 92.6 | Very high | 85.8 | Confident | 19 Ų | 19 | 55 Ų | 55 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 178.1 | 168.4 | 0 | 0 | 0 | 0 | 112.1 | Y173 L180 H193 K205 A206 E212 R213 | Y173-V209 HydrophobicContact CE1-CG1 3.88Å; L180-V209 HydrophobicContact CD2-CB 4.44Å; L180-V209 HydrophobicContact CD2-CG2 4.05Å; H193-V209 HydrophobicContact CB-CG2 4.14Å; H193-V209 VanDerWaalsContact CE1-CG1 3.41Å; H193-V209 WeakPolarHBondContact CE1-CG1 3.32Å; K205-V209 WeakPolarHBondContact O-CG2 3.45Å; K205-V209 PolarHBondContact O-N 3.34Å; K205-V209 VanDerWaalsContact O-N 3.13Å; A206-V209 PolarHBondContact O-N 3.4Å; V209-E212 PolarHBondContact O-N 3.31Å; V209-R213 WeakPolarHBondContact O-CB 3.26Å; V209-R213 PolarHBondContact O-N 2.99Å |
| 210 | I | 91.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 179.4 | -66.4 | 164.9 | 0 | 0 | 0 | 110.9 | L35 F46 F48 Y173 A206 R208 R213 I214 L230 | L35-I210 HydrophobicContact CD2-CG2 4.41Å; F46-I210 HydrophobicContact CB-CD1 4.48Å; F48-I210 HydrophobicContact CD2-CG2 3.95Å; F48-I210 HydrophobicContact CE2-CG2 3.96Å; F48-I210 HydrophobicContact CG-CG2 4.43Å; F48-I210 HydrophobicContact CZ-CG2 4.45Å; Y173-I210 HydrophobicContact CD2-CD1 3.75Å; Y173-I210 HydrophobicContact CD2-CG1 3.94Å; Y173-I210 HydrophobicContact CE2-CD1 4.03Å; Y173-I210 HydrophobicContact CE2-CG1 3.7Å; Y173-I210 HydrophobicContact CG-CD1 4.23Å; Y173-I210 HydrophobicContact CG-CG1 4.46Å; A206-I210 VanDerWaalsContact O-CG1 3.3Å; A206-I210 WeakPolarHBondContact O-CG1 3.34Å; A206-I210 PolarHBondContact O-N 3.49Å; R208-I210 PolarHBondContact O-N 3.44Å; I210-R213 WeakPolarHBondContact O-CB 3.49Å; I210-R213 PolarHBondContact O-N 3.17Å; I210-I214 HydrophobicContact CG2-CD1 3.83Å; I210-I214 VanDerWaalsContact O-CG1 3.32Å; I210-I214 WeakPolarHBondContact O-CG1 3.39Å; I210-I214 PolarHBondContact O-N 2.99Å; I210-L230 HydrophobicContact CD1-CD1 3.86Å; I210-L230 HydrophobicContact CD1-CD2 4.34Å; I210-L230 HydrophobicContact CG2-CD2 4.5Å |
| 211 | M | 87.4 | Confident | 82.9 | Confident | 68 Ų | 68 | 53.4 Ų | 53.4 | 34% | 0.335 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 177.3 | -170.6 | -177.5 | -60.2 | 0 | 0 | 112.1 | L35 R207 R208 I214 G215 | L35-M211 HydrophobicContact CB-CE 3.91Å; R207-M211 WeakPolarHBondContact O-CB 3.18Å; R207-M211 PolarHBondContact O-N 3.06Å; R208-M211 PolarHBondContact O-N 3.06Å; M211-I214 PolarHBondContact O-N 2.98Å; M211-G215 PolarHBondContact O-N 2.72Å |
| 212 | E | 86.3 | Confident | 81.1 | Confident | 130 Ų | 130 | 52.2 Ų | 52.2 | 61% | 0.607 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.6 | -48 | 172.4 | -176.8 | 177.8 | 179.1 | 0 | 0 | 111.4 | R208 V209 I214 G215 L216 | R208-E212 PolarHBondContact O-N 2.72Å; V209-E212 PolarHBondContact O-N 3.31Å; E212-I214 VanDerWaalsContact C-N 3.31Å; E212-I214 PolarHBondContact O-N 2.84Å; E212-G215 PolarHBondContact O-N 3.08Å; E212-L216 HydrophobicContact CG-CD1 4.06Å; E212-L216 HydrophobicContact CG-CG 4.47Å; E212-L216 WeakPolarHBondContact O-CB 3.47Å; E212-L216 WeakPolarHBondContact O-CG 3.36Å; E212-L216 PolarHBondContact O-N 3.41Å |
| 213 | R | 84.3 | Confident | 79.2 | Confident | 60 Ų | 60 | 58 Ų | 58 | 23% | 0.226 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.3 | -41.3 | 177 | -172.5 | -178.9 | -177 | 120 | -14 | 112.4 | F48 F50 Y173 E182 V209 I210 A217 | F48-R213 HydrophobicContact CE1-CG 4.38Å; F50-R213 VanDerWaalsContact CZ-NH2 3.28Å; Y173-R213 WeakPolarHBondContact OH-CD 3.44Å; Y173-R213 PolarHBondContact OH-NH1 3.44Å; E182-R213 IonicContact OE1-CZ 2.72Å; E182-R213 IonicContact OE1-NH1 3.24Å; E182-R213 PolarHBondContact OE1-NH1 2.91Å; E182-R213 IonicContact OE1-NH2 3.87Å; E182-R213 IonicContact OE2-NH1 2.93Å; E182-R213 PolarHBondContact OE2-NH1 3.24Å; V209-R213 WeakPolarHBondContact O-CB 3.26Å; V209-R213 PolarHBondContact O-N 2.99Å; I210-R213 WeakPolarHBondContact O-CB 3.49Å; I210-R213 PolarHBondContact O-N 3.17Å; R213-A217 VanDerWaalsContact O-CB 3.24Å; R213-A217 WeakPolarHBondContact O-CB 3.46Å; R213-A217 PolarHBondContact O-N 2.94Å |
| 214 | I | 82.6 | Confident | 77.3 | Confident | 27 Ų | 27 | 65.7 Ų | 65.7 | 14% | 0.138 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.7 | -44.6 | 176.1 | -68.2 | 164.5 | 0 | 0 | 0 | 111 | L35 F48 I210 M211 E212 L216 A217 T218 F228 | L35-I214 HydrophobicContact CD1-CD1 3.83Å; F48-I214 HydrophobicContact CE2-CD1 3.92Å; F48-I214 HydrophobicContact CE2-CG1 4.06Å; F48-I214 HydrophobicContact CZ-CD1 4.16Å; F48-I214 HydrophobicContact CZ-CG1 3.78Å; I210-I214 HydrophobicContact CG2-CD1 3.83Å; I210-I214 VanDerWaalsContact O-CG1 3.32Å; I210-I214 WeakPolarHBondContact O-CG1 3.39Å; I210-I214 PolarHBondContact O-N 2.99Å; M211-I214 PolarHBondContact O-N 2.98Å; E212-I214 VanDerWaalsContact C-N 3.31Å; E212-I214 PolarHBondContact O-N 2.84Å; I214-L216 PolarHBondContact O-N 2.87Å; I214-A217 PolarHBondContact O-N 2.59Å; I214-T218 WeakPolarHBondContact O-CB 3.41Å; I214-T218 PolarHBondContact O-N 3.01Å; I214-T218 PolarHBondContact O-OG1 2.74Å; I214-F228 HydrophobicContact CG1-CD1 4.46Å; I214-F228 HydrophobicContact CG1-CD2 4.38Å; I214-F228 HydrophobicContact CG1-CG 4.33Å; I214-F228 HydrophobicContact CG2-CD2 4.17Å; I214-F228 HydrophobicContact CG2-CE2 4.13Å |
| 215 | G | 78.3 | Confident | 75.9 | Confident | 21 Ų | 21 | 65.8 Ų | 65.8 | 22% | 0.216 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M211 E212 T218 A219 G220 | M211-G215 PolarHBondContact O-N 2.72Å; E212-G215 PolarHBondContact O-N 3.08Å; G215-T218 CarbonylContact O-C 3.54Å; G215-T218 PolarHBondContact O-N 3.41Å; G215-A219 PolarHBondContact O-N 3.42Å; G215-A219 VanDerWaalsContact O-N 3.14Å; G215-G220 PolarHBondContact O-N 3.24Å |
| 216 | L | 74 | Confident | 74.3 | Confident | 130 Ų | 130 | 71.9 Ų | 71.9 | 68% | 0.681 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.5 | -42.7 | 173.6 | -69.7 | 171.5 | 0 | 0 | 0 | 112.2 | E212 I214 T218 A219 | E212-L216 HydrophobicContact CG-CD1 4.06Å; E212-L216 HydrophobicContact CG-CG 4.47Å; E212-L216 WeakPolarHBondContact O-CB 3.47Å; E212-L216 WeakPolarHBondContact O-CG 3.36Å; E212-L216 PolarHBondContact O-N 3.41Å; I214-L216 PolarHBondContact O-N 2.87Å; L216-T218 VanDerWaalsContact C-N 3.26Å; L216-T218 PolarHBondContact O-N 2.71Å; L216-A219 PolarHBondContact O-N 3.36Å |
| 217 | A | 66.5 | Low | 73.4 | Confident | 21 Ų | 21 | 76.6 Ų | 76.6 | 17% | 0.174 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.2 | -24.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R56 R213 I214 F228 | R56-A217 PolarHBondContact NH1-O 3.31Å; R56-A217 PolarHBondContact NH2-O 3.3Å; R213-A217 VanDerWaalsContact O-CB 3.24Å; R213-A217 WeakPolarHBondContact O-CB 3.46Å; R213-A217 PolarHBondContact O-N 2.94Å; I214-A217 PolarHBondContact O-N 2.59Å; A217-F228 HydrophobicContact CB-CE1 4.33Å; A217-F228 HydrophobicContact CB-CZ 3.66Å |
| 218 | T | 69.2 | Low | 73.2 | Confident | 27 Ų | 27 | 78 Ų | 78 | 17% | 0.166 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 15.7 | -179.4 | -31.6 | 0 | 0 | 0 | 0 | 112.4 | I214 G215 L216 G220 E221 D225 | I214-T218 WeakPolarHBondContact O-CB 3.41Å; I214-T218 PolarHBondContact O-N 3.01Å; I214-T218 PolarHBondContact O-OG1 2.74Å; G215-T218 CarbonylContact O-C 3.54Å; G215-T218 PolarHBondContact O-N 3.41Å; L216-T218 VanDerWaalsContact C-N 3.26Å; L216-T218 PolarHBondContact O-N 2.71Å; T218-G220 PolarHBondContact O-N 3.46Å; T218-G220 VanDerWaalsContact O-N 3.16Å; T218-E221 VanDerWaalsContact CB-O 3.32Å; T218-E221 WeakPolarHBondContact CB-O 3.44Å; T218-E221 HydrophobicContact CG2-CB 4.36Å; T218-E221 WeakPolarHBondContact CG2-O 3.3Å; T218-E221 PolarHBondContact O-N 2.69Å; T218-E221 VanDerWaalsContact O-N 3.14Å; T218-D225 HydrophobicContact CG2-CB 3.92Å |
| 219 | A | 64.4 | Low | 73.2 | Confident | 96 Ų | 96 | 72.6 Ų | 72.6 | 79% | 0.793 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 28.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | G215 L216 | G215-A219 PolarHBondContact O-N 3.42Å; G215-A219 VanDerWaalsContact O-N 3.14Å; L216-A219 PolarHBondContact O-N 3.36Å |
| 220 | G | 59.5 | Low | 73.3 | Confident | 55 Ų | 55 | 72.2 Ų | 72.2 | 57% | 0.567 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.4 | 4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | G215 T218 P222 | G215-G220 PolarHBondContact O-N 3.24Å; T218-G220 PolarHBondContact O-N 3.46Å; T218-G220 VanDerWaalsContact O-N 3.16Å; G220-P222 WeakPolarHBondContact O-CD 3.48Å |
| 221 | E | 59.4 | Low | 73.5 | Confident | 131 Ų | 131 | 72.2 Ų | 72.2 | 61% | 0.612 | 38% | 0.382 | S | S | * | . | trans | -97.4 | 89.8 | 168.8 | -64.4 | -67.2 | 168.3 | 0 | 0 | 109.7 | T218 | T218-E221 VanDerWaalsContact CB-O 3.32Å; T218-E221 WeakPolarHBondContact CB-O 3.44Å; T218-E221 HydrophobicContact CG2-CB 4.36Å; T218-E221 WeakPolarHBondContact CG2-O 3.3Å; T218-E221 PolarHBondContact O-N 2.69Å; T218-E221 VanDerWaalsContact O-N 3.14Å | ||
| 222 | P | 52.9 | Low | 74 | Confident | 57 Ų | 57 | 69 Ų | 69 | 37% | 0.37 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 163.9 | 179.3 | 31.8 | -37.6 | 0 | 0 | 0 | 112.4 | G220 H224 | G220-P222 WeakPolarHBondContact O-CD 3.48Å; P222-H224 PolarHBondContact O-N 3.42Å |
| 223 | Y | 55.8 | Low | 74.5 | Confident | 154 Ų | 154 | 62.9 Ų | 62.9 | 60% | 0.604 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 4.3 | 166.6 | -41.6 | -63.9 | 0 | 0 | 0 | 119.2 | Q36 | Q36-Y223 PolarHBondContact NE2-OH 3.22Š|
| 224 | H | 54.3 | Low | 75.1 | Confident | 163 Ų | 163 | 60.7 Ų | 60.7 | 76% | 0.755 | 33% | 0.331 | S | S | * | . | trans | -126 | -4 | -174.4 | -67.1 | -22.2 | 0 | 0 | 0 | 117.5 | P222 I226 | P222-H224 PolarHBondContact O-N 3.42Å; H224-I226 PolarHBondContact O-N 2.81Å | ||
| 225 | D | 63.6 | Low | 75.8 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 16% | 0.155 | 34% | 0.337 | C | S | . | . | trans | -88.6 | 103.4 | 176.2 | -166.7 | -11.5 | 0 | 0 | 0 | 112 | T218 R227 F228 | T218-D225 HydrophobicContact CG2-CB 3.92Å; D225-R227 PolarHBondContact O-N 2.98Å; D225-R227 VanDerWaalsContact OD1-CB 3.26Å; D225-R227 WeakPolarHBondContact OD1-CB 3.24Å; D225-R227 VanDerWaalsContact OD1-CG 3.31Å; D225-R227 WeakPolarHBondContact OD1-CG 3.48Å; D225-R227 IonicContact OD1-CZ 2.65Å; D225-R227 PolarHBondContact OD1-N 2.81Å; D225-R227 VanDerWaalsContact OD1-N 3.09Å; D225-R227 IonicContact OD1-NE 2.72Å; D225-R227 PolarHBondContact OD1-NE 3.16Å; D225-R227 IonicContact OD1-NH2 3.19Å; D225-R227 PolarHBondContact OD1-NH2 3.46Å; D225-R227 IonicContact OD2-CZ 3.86Å; D225-R227 IonicContact OD2-NE 3.44Å; D225-R227 PolarHBondContact OD2-NE 2.75Å; D225-R227 IonicContact OD2-NH2 2.78Å; D225-R227 PolarHBondContact OD2-NH2 3Å; D225-F228 HydrophobicContact CB-CD2 3.95Å; D225-F228 HydrophobicContact CB-CE2 3.72Å; D225-F228 WeakPolarHBondContact O-CD2 3.43Å | ||
| 226 | I | 61.6 | Low | 76.6 | Confident | 165 Ų | 165 | 60.7 Ų | 60.7 | 85% | 0.846 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 5.8 | 178.9 | 62.4 | 169.6 | 0 | 0 | 0 | 114.7 | H224 F228 | H224-I226 PolarHBondContact O-N 2.81Å; I226-F228 VanDerWaalsContact C-N 3.34Å |
| 227 | R | 76.1 | Confident | 77.6 | Confident | 100 Ų | 100 | 57.4 Ų | 57.4 | 38% | 0.377 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 22.6 | -176.9 | -56.3 | 172 | -62 | -165.4 | 3.1 | 113.1 | K51 F168 D225 | K51-R227 HydrophobicContact CB-CB 4.15Å; K51-R227 PolarHBondContact N-O 3.14Å; F168-R227 HydrophobicContact CE1-CB 4.15Å; D225-R227 PolarHBondContact O-N 2.98Å; D225-R227 VanDerWaalsContact OD1-CB 3.26Å; D225-R227 WeakPolarHBondContact OD1-CB 3.24Å; D225-R227 VanDerWaalsContact OD1-CG 3.31Å; D225-R227 WeakPolarHBondContact OD1-CG 3.48Å; D225-R227 IonicContact OD1-CZ 2.65Å; D225-R227 PolarHBondContact OD1-N 2.81Å; D225-R227 VanDerWaalsContact OD1-N 3.09Å; D225-R227 IonicContact OD1-NE 2.72Å; D225-R227 PolarHBondContact OD1-NE 3.16Å; D225-R227 IonicContact OD1-NH2 3.19Å; D225-R227 PolarHBondContact OD1-NH2 3.46Å; D225-R227 IonicContact OD2-CZ 3.86Å; D225-R227 IonicContact OD2-NE 3.44Å; D225-R227 PolarHBondContact OD2-NE 2.75Å; D225-R227 IonicContact OD2-NH2 2.78Å; D225-R227 PolarHBondContact OD2-NH2 3Å |
| 228 | F | 85.9 | Confident | 79 | Confident | 46 Ų | 46 | 59 Ų | 59 | 20% | 0.202 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 145 | 172.9 | -61.7 | -66.4 | 0 | 0 | 0 | 109.7 | F48 L49 F50 I214 A217 D225 I226 | F48-F228 HydrophobicContact CE1-CD1 4.4Å; F48-F228 HydrophobicContact CE2-CB 4.15Å; F48-F228 HydrophobicContact CE2-CD1 4.02Å; F48-F228 HydrophobicContact CE2-CG 4.4Å; F48-F228 HydrophobicContact CZ-CB 4.46Å; F48-F228 AromaticContact CZ-CD1 3.49Å; F48-F228 HydrophobicContact CZ-CD1 3.49Å; F48-F228 VanDerWaalsContact CZ-CD1 3.49Å; F48-F228 HydrophobicContact CZ-CE1 4.06Å; F48-F228 HydrophobicContact CZ-CG 4.23Å; L49-F228 WeakPolarHBondContact O-CA 3.39Å; F50-F228 HydrophobicContact CB-CD1 3.58Å; F50-F228 HydrophobicContact CB-CE1 3.57Å; I214-F228 HydrophobicContact CG1-CD1 4.46Å; I214-F228 HydrophobicContact CG1-CD2 4.38Å; I214-F228 HydrophobicContact CG1-CG 4.33Å; I214-F228 HydrophobicContact CG2-CD2 4.17Å; I214-F228 HydrophobicContact CG2-CE2 4.13Å; A217-F228 HydrophobicContact CB-CE1 4.33Å; A217-F228 HydrophobicContact CB-CZ 3.66Å; D225-F228 HydrophobicContact CB-CD2 3.95Å; D225-F228 HydrophobicContact CB-CE2 3.72Å; D225-F228 WeakPolarHBondContact O-CD2 3.43Å; I226-F228 VanDerWaalsContact C-N 3.34Å |
| 229 | N | 91.5 | Very high | 80.2 | Confident | 26 Ų | 26 | 61.5 Ų | 61.5 | 14% | 0.139 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 145.1 | 167.3 | -159.9 | -83.4 | 0 | 0 | 0 | 108.9 | E31 F48 L49 | E31-N229 PolarHBondContact OE1-ND2 3.09Å; F48-N229 VanDerWaalsContact CD2-O 3.32Å; F48-N229 WeakPolarHBondContact CD2-O 3.46Å; L49-N229 HydrophobicContact CB-CB 3.83Å; L49-N229 HydrophobicContact CD2-CB 4.19Å; L49-N229 PolarHBondContact N-O 3.18Å; L49-N229 PolarHBondContact O-N 3.14Å |
| 230 | L | 94 | Very high | 81.5 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.5 | 173.1 | -178.5 | 65.1 | 0 | 0 | 0 | 108.8 | I32 L35 F46 F48 I210 | I32-L230 HydrophobicContact CB-CB 4.29Å; I32-L230 HydrophobicContact CB-CD2 3.99Å; I32-L230 HydrophobicContact CB-CG 4.07Å; I32-L230 HydrophobicContact CG1-CD2 4.4Å; I32-L230 HydrophobicContact CG1-CG 4.31Å; I32-L230 HydrophobicContact CG2-CD2 4.01Å; I32-L230 PolarHBondContact N-O 3.33Å; L35-L230 HydrophobicContact CD2-CD2 3.38Å; F46-L230 HydrophobicContact CB-CD1 3.87Å; F46-L230 HydrophobicContact CD1-CD1 4.19Å; F46-L230 HydrophobicContact CD1-CD2 4.34Å; F46-L230 HydrophobicContact CD1-CG 4.31Å; F46-L230 HydrophobicContact CG-CD1 4.33Å; F48-L230 HydrophobicContact CB-CD1 4.04Å; F48-L230 HydrophobicContact CD2-CB 4.47Å; F48-L230 HydrophobicContact CD2-CD1 4.17Å; I210-L230 HydrophobicContact CD1-CD1 3.86Å; I210-L230 HydrophobicContact CD1-CD2 4.34Å; I210-L230 HydrophobicContact CG2-CD2 4.5Å |
| 231 | M | 96.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 146.2 | 172.4 | -69 | 179 | -77.5 | 0 | 0 | 110.5 | P12 F15 V29 E30 F46 I47 F170 | P12-M231 HydrophobicContact CB-SD 4.16Å; F15-M231 HydrophobicContact CD1-CE 4.15Å; F15-M231 HydrophobicContact CD2-CE 4.19Å; F15-M231 HydrophobicContact CD2-SD 4.44Å; F15-M231 HydrophobicContact CE1-CE 3.98Å; F15-M231 HydrophobicContact CE2-CE 4.02Å; F15-M231 HydrophobicContact CG-CE 4.24Å; F15-M231 HydrophobicContact CG-SD 4.31Å; F15-M231 HydrophobicContact CZ-CE 3.89Å; V29-M231 HydrophobicContact CG1-CB 3.7Å; V29-M231 HydrophobicContact CG1-CG 4.09Å; V29-M231 HydrophobicContact CG1-SD 3.74Å; E30-M231 CarbonylContact O-C 3.59Å; E30-M231 WeakPolarHBondContact O-CA 3.27Å; F46-M231 CarbonylContact C-O 3.59Å; F46-M231 VanDerWaalsContact CA-O 3.27Å; F46-M231 WeakPolarHBondContact CA-O 3.25Å; I47-M231 HydrophobicContact CB-CB 4.43Å; I47-M231 HydrophobicContact CG2-CE 4.25Å; I47-M231 PolarHBondContact N-O 3.49Å; I47-M231 PolarHBondContact O-N 2.92Å; F170-M231 HydrophobicContact CE1-CE 3.95Å |
| 232 | A | 97.1 | Very high | 85 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 134 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V29 E30 I32 V43 F46 V234 | V29-A232 WeakPolarHBondContact CA-O 3.47Å; E30-A232 PolarHBondContact N-O 3.12Å; E30-A232 PolarHBondContact O-N 3.39Å; I32-A232 HydrophobicContact CD1-CB 3.9Å; I32-A232 HydrophobicContact CG1-CB 4.02Å; V43-A232 HydrophobicContact CG1-CB 4.05Å; F46-A232 HydrophobicContact CD1-CB 3.82Å; F46-A232 HydrophobicContact CE1-CB 3.81Å; A232-V234 HydrophobicContact CB-CG1 3.97Å |
| 233 | V | 97.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 120.5 | 169 | -173.5 | 0 | 0 | 0 | 0 | 107.2 | V27 V29 Y44 G45 I47 L96 V99 L100 | V27-V233 HydrophobicContact CG1-CG1 3.46Å; V27-V233 VanDerWaalsContact CG1-CG1 3.46Å; V29-V233 HydrophobicContact CG2-CG2 4.38Å; Y44-V233 WeakPolarHBondContact CB-O 3.43Å; Y44-V233 HydrophobicContact CD2-CG1 4.3Å; Y44-V233 PolarHBondContact N-O 3.4Å; G45-V233 PolarHBondContact O-N 2.99Å; I47-V233 HydrophobicContact CD1-CG2 3.85Å; I47-V233 HydrophobicContact CG1-CG2 4.21Å; L96-V233 HydrophobicContact CD1-CG2 4.38Å; V99-V233 HydrophobicContact CB-CG2 4.21Å; V99-V233 HydrophobicContact CG1-CB 3.89Å; V99-V233 HydrophobicContact CG1-CG1 4.18Å; V99-V233 HydrophobicContact CG1-CG2 3.87Å; V99-V233 HydrophobicContact CG2-CG2 4.27Å; L100-V233 HydrophobicContact CD2-CG1 4.35Å |
| 234 | V | 96.6 | Very high | 88.7 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 163.6 | -169.7 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | V27 Q28 E30 V43 A232 | V27-V234 CarbonylContact C-O 3.59Å; V27-V234 WeakPolarHBondContact CA-O 3.31Å; Q28-V234 HydrophobicContact CG-CG2 3.81Å; Q28-V234 PolarHBondContact N-O 3.31Å; Q28-V234 PolarHBondContact O-N 3.23Å; Q28-V234 VanDerWaalsContact O-O 3.07Å; E30-V234 HydrophobicContact CG-CG2 3.83Å; V43-V234 HydrophobicContact CB-CG1 4.5Å; V43-V234 HydrophobicContact CG1-CG1 4.42Å; V43-V234 HydrophobicContact CG2-CG1 4.1Å; A232-V234 HydrophobicContact CB-CG1 3.97Å |
| 235 | P | 96.3 | Very high | 90.7 | Very high | 41 Ų | 41 | 49.3 Ų | 49.3 | 27% | 0.266 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 150.1 | 172.1 | -21.3 | 32 | 0 | 0 | 0 | 112.8 | G26 P42 Y44 R237 | G26-P235 CarbonylContact O-C 3.55Å; G26-P235 VanDerWaalsContact O-CA 3.27Å; G26-P235 WeakPolarHBondContact O-CA 3.48Å; P42-P235 HydrophobicContact CG-CG 3.98Å; P42-P235 WeakPolarHBondContact O-CD 3.26Å; Y44-P235 HydrophobicContact CE2-CB 4.32Å; Y44-P235 HydrophobicContact CE2-CG 3.7Å; P235-R237 PolarHBondContact O-N 3.41Å |
| 236 | D | 95.8 | Very high | 92.3 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.032 | 25% | 0.253 | C | S | . | . | trans | -63.3 | 119.4 | 177.9 | -164 | -55.9 | 0 | 0 | 0 | 111.2 | G26 Q28 R238 I239 K240 R656 | G26-D236 PolarHBondContact O-N 2.92Å; Q28-D236 PolarHBondContact OE1-OD1 3.34Å; D236-R238 PolarHBondContact O-N 3.32Å; D236-R238 WeakPolarHBondContact OD1-CB 3.2Å; D236-R238 VanDerWaalsContact OD1-CG 3.31Å; D236-R238 WeakPolarHBondContact OD1-CG 3.43Å; D236-R238 IonicContact OD1-CZ 3.94Å; D236-R238 PolarHBondContact OD1-N 3.04Å; D236-R238 IonicContact OD1-NE 3.22Å; D236-R238 PolarHBondContact OD1-NE 2.86Å; D236-R238 IonicContact OD1-NH2 3.46Å; D236-R238 IonicContact OD2-CZ 2.72Å; D236-R238 IonicContact OD2-NE 2.69Å; D236-R238 PolarHBondContact OD2-NE 3.1Å; D236-R238 IonicContact OD2-NH2 2.72Å; D236-R238 PolarHBondContact OD2-NH2 3.38Å; D236-I239 HydrophobicContact CB-CD1 4.18Å; D236-I239 HydrophobicContact CB-CG1 4.2Å; D236-I239 PolarHBondContact O-N 2.65Å; D236-K240 PolarHBondContact O-N 3.46Å; D236-R656 IonicContact OD1-NH2 2.9Å; D236-R656 IonicContact OD2-CZ 2.76Å; D236-R656 IonicContact OD2-NH1 3.71Å; D236-R656 PolarHBondContact OD2-NH1 3.41Å; D236-R656 IonicContact OD2-NH2 2.64Å; D236-R656 PolarHBondContact OD2-NH2 2.86Å | ||
| 237 | R | 94.3 | Very high | 93.9 | Very high | 61 Ų | 61 | 47.1 Ų | 47.1 | 23% | 0.23 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.3 | -25.4 | -176 | -71.5 | -177.9 | -176.5 | -160.7 | 6 | 112.6 | E30 P235 K240 Y241 E652 | E30-R237 WeakPolarHBondContact OE1-CD 3.48Å; E30-R237 IonicContact OE1-CZ 3.73Å; E30-R237 VanDerWaalsContact OE1-CZ 3.31Å; E30-R237 IonicContact OE1-NE 2.71Å; E30-R237 PolarHBondContact OE1-NE 2.68Å; E30-R237 IonicContact OE1-NH2 2.83Å; E30-R237 PolarHBondContact OE1-NH2 2.98Å; E30-R237 IonicContact OE2-CZ 2.91Å; E30-R237 IonicContact OE2-NE 3.75Å; E30-R237 PolarHBondContact OE2-NE 2.86Å; E30-R237 IonicContact OE2-NH2 3.8Å; E30-R237 PolarHBondContact OE2-NH2 2.94Å; P235-R237 PolarHBondContact O-N 3.41Å; R237-K240 WeakPolarHBondContact O-CB 3.27Å; R237-K240 PolarHBondContact O-N 3.37Å; R237-Y241 HydrophobicContact CB-CE2 4.09Å; R237-Y241 WeakPolarHBondContact O-CD2 3.35Å; R237-Y241 PolarHBondContact O-N 2.78Å; R237-E652 HydrophobicContact CB-CG 3.84Å; R237-E652 VanDerWaalsContact CD-OE1 3.3Å; R237-E652 WeakPolarHBondContact CD-OE1 3.3Å; R237-E652 IonicContact NE-OE1 3.87Å; R237-E652 IonicContact NH1-OE1 3.93Å |
| 238 | R | 96.1 | Very high | 94.8 | Very high | 56 Ų | 56 | 42.3 Ų | 42.3 | 21% | 0.211 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.4 | -50.5 | 178.2 | -56.3 | 172.3 | -67.7 | 167 | -4.2 | 110 | E20 D236 K240 Y241 E242 L649 E652 V653 R656 | E20-R238 IonicContact OE1-NH2 2.74Å; E20-R238 PolarHBondContact OE1-NH2 3.2Å; E20-R238 VanDerWaalsContact OE1-NH2 3.14Å; D236-R238 PolarHBondContact O-N 3.32Å; D236-R238 WeakPolarHBondContact OD1-CB 3.2Å; D236-R238 VanDerWaalsContact OD1-CG 3.31Å; D236-R238 WeakPolarHBondContact OD1-CG 3.43Å; D236-R238 IonicContact OD1-CZ 3.94Å; D236-R238 PolarHBondContact OD1-N 3.04Å; D236-R238 IonicContact OD1-NE 3.22Å; D236-R238 PolarHBondContact OD1-NE 2.86Å; D236-R238 IonicContact OD1-NH2 3.46Å; D236-R238 IonicContact OD2-CZ 2.72Å; D236-R238 IonicContact OD2-NE 2.69Å; D236-R238 PolarHBondContact OD2-NE 3.1Å; D236-R238 IonicContact OD2-NH2 2.72Å; D236-R238 PolarHBondContact OD2-NH2 3.38Å; R238-K240 VanDerWaalsContact C-N 3.29Å; R238-K240 PolarHBondContact O-N 3.42Å; R238-Y241 CarbonylContact O-C 3.51Å; R238-Y241 PolarHBondContact O-N 2.95Å; R238-E242 WeakPolarHBondContact O-CB 3.32Å; R238-E242 VanDerWaalsContact O-CG 3.27Å; R238-E242 WeakPolarHBondContact O-CG 3.27Å; R238-E242 PolarHBondContact O-N 3.41Å; R238-L649 HydrophobicContact CB-CD1 3.88Å; R238-L649 HydrophobicContact CG-CD1 4.33Å; R238-E652 HydrophobicContact CG-CB 4.02Å; R238-V653 HydrophobicContact CG-CG2 4.31Å; R238-R656 VanDerWaalsContact NH2-CZ 3.3Å |
| 239 | I | 94.7 | Very high | 95.3 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 40% | 0.4 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.8 | -40.1 | 178.6 | -55.4 | -177.9 | 0 | 0 | 0 | 111.3 | D236 T243 | D236-I239 HydrophobicContact CB-CD1 4.18Å; D236-I239 HydrophobicContact CB-CG1 4.2Å; D236-I239 PolarHBondContact O-N 2.65Å; I239-T243 VanDerWaalsContact O-CB 3.3Å; I239-T243 WeakPolarHBondContact O-CB 3.4Å; I239-T243 PolarHBondContact O-N 3.47Å; I239-T243 PolarHBondContact O-OG1 3.44Å |
| 240 | K | 92.3 | Very high | 95.5 | Very high | 101 Ų | 101 | 46 Ų | 46 | 44% | 0.439 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.6 | -46.1 | 173.7 | 178.6 | -177.5 | 178.8 | -179.2 | 0 | 111.2 | Q40 D236 R237 R238 R244 | Q40-K240 PolarHBondContact O-NZ 2.95Å; D236-K240 PolarHBondContact O-N 3.46Å; R237-K240 WeakPolarHBondContact O-CB 3.27Å; R237-K240 PolarHBondContact O-N 3.37Å; R238-K240 VanDerWaalsContact C-N 3.29Å; R238-K240 PolarHBondContact O-N 3.42Å; K240-R244 WeakPolarHBondContact O-CG 3.43Å; K240-R244 PolarHBondContact O-N 2.97Å |
| 241 | Y | 95.1 | Very high | 95.5 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -74.3 | -40.4 | 179.4 | -59.9 | -38.9 | 0 | 0 | 0 | 112.9 | R237 R238 T243 R244 L245 Y645 C648 E652 | R237-Y241 HydrophobicContact CB-CE2 4.09Å; R237-Y241 WeakPolarHBondContact O-CD2 3.35Å; R237-Y241 PolarHBondContact O-N 2.78Å; R238-Y241 CarbonylContact O-C 3.51Å; R238-Y241 PolarHBondContact O-N 2.95Å; Y241-T243 PolarHBondContact O-N 3.19Å; Y241-R244 PolarHBondContact O-N 3.49Å; Y241-L245 WeakPolarHBondContact O-CB 3.24Å; Y241-L245 VanDerWaalsContact O-CG 3.32Å; Y241-L245 WeakPolarHBondContact O-CG 3.32Å; Y241-L245 PolarHBondContact O-N 2.96Å; Y241-Y645 AromaticContact CD1-CD1 3.54Å; Y241-Y645 HydrophobicContact CD1-CD1 3.54Å; Y241-Y645 AromaticContact CD1-CE1 3.75Å; Y241-Y645 HydrophobicContact CD1-CE1 3.75Å; Y241-Y645 HydrophobicContact CE1-CD1 4.12Å; Y241-Y645 HydrophobicContact CE1-CE1 4.08Å; Y241-Y645 HydrophobicContact CG-CD1 4.34Å; Y241-C648 HydrophobicContact CD1-CB 4.31Å; Y241-C648 HydrophobicContact CD2-CB 3.93Å; Y241-C648 HydrophobicContact CE1-CB 4.05Å; Y241-C648 HydrophobicContact CE2-CB 3.67Å; Y241-C648 HydrophobicContact CG-CB 4.25Å; Y241-E652 HydrophobicContact CD2-CG 4.41Å; Y241-E652 HydrophobicContact CE2-CG 3.84Å |
| 242 | E | 96.5 | Very high | 95.5 | Very high | 93 Ų | 93 | 47.4 Ų | 47.4 | 44% | 0.435 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.6 | -45.8 | 175.1 | -72.5 | 160.3 | -174 | 0 | 0 | 111.7 | R238 R244 L245 H246 L649 | R238-E242 WeakPolarHBondContact O-CB 3.32Å; R238-E242 VanDerWaalsContact O-CG 3.27Å; R238-E242 WeakPolarHBondContact O-CG 3.27Å; R238-E242 PolarHBondContact O-N 3.41Å; E242-R244 PolarHBondContact O-N 3.04Å; E242-L245 PolarHBondContact O-N 3.02Å; E242-H246 PolarHBondContact O-N 2.96Å; E242-L649 HydrophobicContact CG-CD1 3.9Å; E242-L649 HydrophobicContact CG-CD2 3.71Å; E242-L649 HydrophobicContact CG-CG 4.5Å |
| 243 | T | 94.5 | Very high | 95.4 | Very high | 82 Ų | 82 | 50 Ų | 50 | 50% | 0.503 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.5 | -40.1 | 178.3 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | I239 Y241 H246 V247 | I239-T243 VanDerWaalsContact O-CB 3.3Å; I239-T243 WeakPolarHBondContact O-CB 3.4Å; I239-T243 PolarHBondContact O-N 3.47Å; I239-T243 PolarHBondContact O-OG1 3.44Å; Y241-T243 PolarHBondContact O-N 3.19Å; T243-H246 PolarHBondContact O-N 3.49Å; T243-V247 PolarHBondContact O-N 3.45Å; T243-V247 VanDerWaalsContact O-N 3.14Å |
| 244 | R | 93.6 | Very high | 95.1 | Very high | 80 Ų | 80 | 50.8 Ų | 50.8 | 30% | 0.302 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.9 | -39.3 | 176.7 | -68.4 | -70.7 | 174.9 | 141.9 | -4.2 | 112.1 | K240 Y241 E242 H246 V247 L248 S557 Y645 | K240-R244 WeakPolarHBondContact O-CG 3.43Å; K240-R244 PolarHBondContact O-N 2.97Å; Y241-R244 PolarHBondContact O-N 3.49Å; E242-R244 PolarHBondContact O-N 3.04Å; R244-H246 VanDerWaalsContact C-N 3.35Å; R244-V247 PolarHBondContact O-N 2.94Å; R244-L248 WeakPolarHBondContact O-CB 3.3Å; R244-L248 WeakPolarHBondContact O-CG 3.38Å; R244-L248 PolarHBondContact O-N 3.38Å; R244-S557 WeakPolarHBondContact CD-O 3.16Å; R244-S557 VanDerWaalsContact CZ-O 3.29Å; R244-S557 PolarHBondContact NE-O 2.88Å; R244-S557 PolarHBondContact NH1-O 3.05Å; R244-Y645 HydrophobicContact CB-CD1 4.28Å; R244-Y645 HydrophobicContact CB-CE1 4.1Å; R244-Y645 HydrophobicContact CB-CE2 4.35Å; R244-Y645 HydrophobicContact CB-CG 4.48Å; R244-Y645 HydrophobicContact CG-CE1 4.29Å |
| 245 | L | 96.2 | Very high | 94.9 | Very high | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.9 | -36.7 | 173.4 | -74.7 | 170.8 | 0 | 0 | 0 | 112.5 | Y241 E242 K249 I642 E646 L649 | Y241-L245 WeakPolarHBondContact O-CB 3.24Å; Y241-L245 VanDerWaalsContact O-CG 3.32Å; Y241-L245 WeakPolarHBondContact O-CG 3.32Å; Y241-L245 PolarHBondContact O-N 2.96Å; E242-L245 PolarHBondContact O-N 3.02Å; L245-K249 VanDerWaalsContact O-CB 3.25Å; L245-K249 WeakPolarHBondContact O-CB 3.49Å; L245-K249 WeakPolarHBondContact O-CG 3.34Å; L245-K249 PolarHBondContact O-N 3.34Å; L245-I642 HydrophobicContact CD2-CB 4.49Å; L245-I642 HydrophobicContact CD2-CG2 4.14Å; L245-E646 HydrophobicContact CD1-CG 3.84Å; L245-E646 HydrophobicContact CD2-CG 3.59Å; L245-E646 HydrophobicContact CG-CG 4.38Å; L245-L649 HydrophobicContact CD1-CB 4.34Å; L245-L649 HydrophobicContact CD1-CD2 3.75Å |
| 246 | H | 96.3 | Very high | 94.7 | Very high | 127 Ų | 127 | 48.1 Ų | 48.1 | 59% | 0.588 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.9 | -52.3 | 173.8 | -177.9 | 70.8 | 0 | 0 | 0 | 111.2 | E242 T243 R244 L248 K249 V250 | E242-H246 PolarHBondContact O-N 2.96Å; T243-H246 PolarHBondContact O-N 3.49Å; R244-H246 VanDerWaalsContact C-N 3.35Å; H246-L248 PolarHBondContact O-N 2.92Å; H246-K249 PolarHBondContact O-N 3.05Å; H246-V250 WeakPolarHBondContact O-CG2 3.48Å; H246-V250 PolarHBondContact O-N 3.29Å |
| 247 | V | 95.6 | Very high | 94.5 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 13% | 0.127 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.1 | -48.8 | 176.6 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | T243 R244 K249 V250 N251 G559 L560 | T243-V247 PolarHBondContact O-N 3.45Å; T243-V247 VanDerWaalsContact O-N 3.14Å; R244-V247 PolarHBondContact O-N 2.94Å; V247-K249 PolarHBondContact O-N 3.45Å; V247-V250 PolarHBondContact O-N 2.92Å; V247-N251 WeakPolarHBondContact O-CB 3.48Å; V247-N251 PolarHBondContact O-N 3.46Å; V247-N251 PolarHBondContact O-ND2 3.48Å; V247-G559 WeakPolarHBondContact CG1-O 3.35Å; V247-L560 HydrophobicContact CG1-CD2 4.31Å |
| 248 | L | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 178.8 | -78 | 162.6 | 0 | 0 | 0 | 112.9 | R244 H246 N251 R252 I556 V638 E641 I642 Y645 | R244-L248 WeakPolarHBondContact O-CB 3.3Å; R244-L248 WeakPolarHBondContact O-CG 3.38Å; R244-L248 PolarHBondContact O-N 3.38Å; H246-L248 PolarHBondContact O-N 2.92Å; L248-N251 PolarHBondContact O-N 3.5Å; L248-R252 VanDerWaalsContact O-CB 3.31Å; L248-R252 WeakPolarHBondContact O-CB 3.48Å; L248-R252 PolarHBondContact O-N 3.07Å; L248-I556 HydrophobicContact CD2-CB 4.41Å; L248-I556 HydrophobicContact CD2-CG1 4.06Å; L248-I556 VanDerWaalsContact CD2-O 3.31Å; L248-I556 WeakPolarHBondContact CD2-O 3.48Å; L248-V638 HydrophobicContact CD2-CG1 4.17Å; L248-V638 WeakPolarHBondContact O-CG1 3.46Å; L248-E641 HydrophobicContact CD1-CB 3.92Å; L248-E641 HydrophobicContact CD2-CB 3.86Å; L248-I642 HydrophobicContact CB-CD1 4.2Å; L248-I642 HydrophobicContact CB-CG1 3.63Å; L248-I642 HydrophobicContact CD1-CG1 4.39Å; L248-I642 HydrophobicContact CG-CG1 4.48Å; L248-Y645 HydrophobicContact CD1-CD2 3.4Å; L248-Y645 HydrophobicContact CD1-CE2 3.83Å; L248-Y645 HydrophobicContact CD1-CG 4.38Å |
| 249 | K | 95.9 | Very high | 93.9 | Very high | 96 Ų | 96 | 46.2 Ų | 46.2 | 42% | 0.417 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -71.8 | -31.7 | 179.3 | -74.2 | 173.8 | 179.9 | -175.5 | 0 | 112.9 | L245 H246 V247 Q253 I642 E646 | L245-K249 VanDerWaalsContact O-CB 3.25Å; L245-K249 WeakPolarHBondContact O-CB 3.49Å; L245-K249 WeakPolarHBondContact O-CG 3.34Å; L245-K249 PolarHBondContact O-N 3.34Å; H246-K249 PolarHBondContact O-N 3.05Å; V247-K249 PolarHBondContact O-N 3.45Å; K249-Q253 PolarHBondContact O-N 3.18Å; K249-I642 HydrophobicContact CG-CD1 3.96Å; K249-I642 HydrophobicContact CG-CG1 4.43Å; K249-E646 VanDerWaalsContact CE-OE1 3.23Å; K249-E646 WeakPolarHBondContact CE-OE1 3.38Å; K249-E646 IonicContact NZ-OE1 3.69Å; K249-E646 PolarHBondContact NZ-OE1 3.42Å |
| 250 | V | 95.4 | Very high | 93.6 | Very high | 52 Ų | 52 | 45 Ų | 45 | 32% | 0.315 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -67.1 | -48.2 | 167.9 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | H246 V247 R252 Q253 T254 L560 | H246-V250 WeakPolarHBondContact O-CG2 3.48Å; H246-V250 PolarHBondContact O-N 3.29Å; V247-V250 PolarHBondContact O-N 2.92Å; V250-R252 VanDerWaalsContact C-N 3.33Å; V250-R252 PolarHBondContact O-N 2.88Å; V250-Q253 WeakPolarHBondContact O-CA 3.09Å; V250-Q253 WeakPolarHBondContact O-CB 3.46Å; V250-Q253 PolarHBondContact O-N 2.99Å; V250-T254 PolarHBondContact O-N 3.11Å; V250-T254 PolarHBondContact O-OG1 3.3Å; V250-L560 HydrophobicContact CB-CD2 3.95Å; V250-L560 HydrophobicContact CG1-CD2 3.79Å |
| 251 | N | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -37.2 | -179.8 | -72.8 | -13.5 | 0 | 0 | 0 | 113.3 | V247 L248 Q253 T254 V255 I556 G559 L560 L561 | V247-N251 WeakPolarHBondContact O-CB 3.48Å; V247-N251 PolarHBondContact O-N 3.46Å; V247-N251 PolarHBondContact O-ND2 3.48Å; L248-N251 PolarHBondContact O-N 3.5Å; N251-Q253 VanDerWaalsContact C-N 3.3Å; N251-Q253 PolarHBondContact O-N 3.48Å; N251-T254 PolarHBondContact O-N 2.95Å; N251-V255 WeakPolarHBondContact O-CG2 3.41Å; N251-V255 PolarHBondContact O-N 2.86Å; N251-I556 PolarHBondContact ND2-O 3.38Å; N251-G559 PolarHBondContact ND2-O 3.5Å; N251-L560 WeakPolarHBondContact OD1-CA 3.4Å; N251-L561 HydrophobicContact CB-CD1 3.81Å; N251-L561 HydrophobicContact CB-CG 4.17Å; N251-L561 PolarHBondContact OD1-N 3.29Å |
| 252 | R | 95 | Very high | 92.7 | Very high | 42 Ų | 42 | 43.7 Ų | 43.7 | 16% | 0.158 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.2 | -45.9 | 169.5 | -178.5 | -167.2 | -171.9 | -104.3 | -5.8 | 111.4 | L248 V250 L256 L635 V638 E639 I642 | L248-R252 VanDerWaalsContact O-CB 3.31Å; L248-R252 WeakPolarHBondContact O-CB 3.48Å; L248-R252 PolarHBondContact O-N 3.07Å; V250-R252 VanDerWaalsContact C-N 3.33Å; V250-R252 PolarHBondContact O-N 2.88Å; R252-L256 HydrophobicContact CG-CD1 4.29Å; R252-L256 WeakPolarHBondContact O-CB 3.26Å; R252-L256 WeakPolarHBondContact O-CG 3.28Å; R252-L256 PolarHBondContact O-N 3.04Å; R252-L635 HydrophobicContact CG-CD1 4.04Å; R252-V638 HydrophobicContact CB-CG1 3.79Å; R252-E639 WeakPolarHBondContact CD-OE2 3.32Å; R252-E639 IonicContact CZ-OE1 3.46Å; R252-E639 VanDerWaalsContact CZ-OE1 3.24Å; R252-E639 IonicContact CZ-OE2 3.24Å; R252-E639 IonicContact NE-OE1 3.33Å; R252-E639 PolarHBondContact NE-OE1 2.85Å; R252-E639 IonicContact NE-OE2 2.74Å; R252-E639 PolarHBondContact NE-OE2 3.4Å; R252-E639 IonicContact NH2-OE1 3.74Å; R252-E639 PolarHBondContact NH2-OE1 2.91Å; R252-E639 IonicContact NH2-OE2 2.73Å; R252-I642 HydrophobicContact CB-CD1 4.14Å; R252-I642 HydrophobicContact CG-CD1 4.35Å |
| 253 | Q | 94.4 | Very high | 92 | Very high | 55 Ų | 55 | 40.9 Ų | 40.9 | 26% | 0.257 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.2 | -46.1 | 178.2 | -176.8 | 61.7 | 23.2 | 0 | 0 | 111.3 | K249 V250 N251 V255 L256 E257 | K249-Q253 PolarHBondContact O-N 3.18Å; V250-Q253 WeakPolarHBondContact O-CA 3.09Å; V250-Q253 WeakPolarHBondContact O-CB 3.46Å; V250-Q253 PolarHBondContact O-N 2.99Å; N251-Q253 VanDerWaalsContact C-N 3.3Å; N251-Q253 PolarHBondContact O-N 3.48Å; Q253-V255 VanDerWaalsContact C-N 3.3Å; Q253-V255 PolarHBondContact O-N 2.86Å; Q253-L256 WeakPolarHBondContact O-CB 3.45Å; Q253-L256 PolarHBondContact O-N 3.41Å; Q253-L256 VanDerWaalsContact O-N 3.16Å; Q253-E257 WeakPolarHBondContact CG-OE1 3.43Å; Q253-E257 PolarHBondContact NE2-OE1 3.3Å; Q253-E257 WeakPolarHBondContact O-CG 3.45Å; Q253-E257 PolarHBondContact O-N 3.09Å |
| 254 | T | 93.3 | Very high | 91.3 | Very high | 16 Ų | 16 | 44 Ų | 44 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.3 | -41.6 | 176.1 | -45.5 | 0 | 0 | 0 | 0 | 112.2 | V250 N251 E257 A258 L561 L563 L569 | V250-T254 PolarHBondContact O-N 3.11Å; V250-T254 PolarHBondContact O-OG1 3.3Å; N251-T254 PolarHBondContact O-N 2.95Å; T254-E257 PolarHBondContact O-N 2.92Å; T254-A258 PolarHBondContact O-N 3.01Å; T254-L561 HydrophobicContact CG2-CB 4.17Å; T254-L561 WeakPolarHBondContact CG2-O 3.4Å; T254-L561 PolarHBondContact OG1-O 3.15Å; T254-L563 HydrophobicContact CG2-CB 3.75Å; T254-L569 HydrophobicContact CG2-CD1 3.87Å |
| 255 | V | 91.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.7 | -37.4 | 178.3 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | N251 Q253 E257 A258 L259 L561 L569 L634 L635 | N251-V255 WeakPolarHBondContact O-CG2 3.41Å; N251-V255 PolarHBondContact O-N 2.86Å; Q253-V255 VanDerWaalsContact C-N 3.3Å; Q253-V255 PolarHBondContact O-N 2.86Å; V255-E257 VanDerWaalsContact C-N 3.35Å; V255-A258 PolarHBondContact O-N 3.39Å; V255-L259 WeakPolarHBondContact O-CB 3.32Å; V255-L259 PolarHBondContact O-N 3.41Å; V255-L561 HydrophobicContact CG2-CD1 3.82Å; V255-L569 HydrophobicContact CG2-CD1 4.09Å; V255-L634 HydrophobicContact CG1-CD2 4.39Å; V255-L634 HydrophobicContact CG2-CD2 3.65Å; V255-L634 HydrophobicContact CG2-CG 4.23Å; V255-L635 HydrophobicContact CG1-CB 3.89Å; V255-L635 HydrophobicContact CG1-CD1 4.31Å |
| 256 | L | 92.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 171.7 | -79.6 | 167.7 | 0 | 0 | 0 | 112 | R252 Q253 L259 Q260 T443 L447 L635 | R252-L256 HydrophobicContact CG-CD1 4.29Å; R252-L256 WeakPolarHBondContact O-CB 3.26Å; R252-L256 WeakPolarHBondContact O-CG 3.28Å; R252-L256 PolarHBondContact O-N 3.04Å; Q253-L256 WeakPolarHBondContact O-CB 3.45Å; Q253-L256 PolarHBondContact O-N 3.41Å; Q253-L256 VanDerWaalsContact O-N 3.16Å; L256-L259 PolarHBondContact O-N 2.72Å; L256-Q260 WeakPolarHBondContact O-CB 3.28Å; L256-Q260 WeakPolarHBondContact O-CG 3.48Å; L256-Q260 PolarHBondContact O-N 3.26Å; L256-T443 HydrophobicContact CD2-CG2 4.36Å; L256-L447 HydrophobicContact CD2-CD1 4.08Å; L256-L635 HydrophobicContact CD2-CD1 4.49Å; L256-L635 HydrophobicContact CD2-CD2 3.64Å; L256-L635 HydrophobicContact CG-CD1 4.11Å; L256-L635 HydrophobicContact CG-CD2 4.14Å |
| 257 | E | 91 | Very high | 87.6 | Confident | 77 Ų | 77 | 45.9 Ų | 45.9 | 36% | 0.36 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.1 | -42.7 | 176.7 | -74.9 | 174.9 | -165.5 | 0 | 0 | 112 | Q253 T254 V255 L259 Q260 Q261 L563 | Q253-E257 WeakPolarHBondContact CG-OE1 3.43Å; Q253-E257 PolarHBondContact NE2-OE1 3.3Å; Q253-E257 WeakPolarHBondContact O-CG 3.45Å; Q253-E257 PolarHBondContact O-N 3.09Å; T254-E257 PolarHBondContact O-N 2.92Å; V255-E257 VanDerWaalsContact C-N 3.35Å; E257-L259 VanDerWaalsContact C-N 3.33Å; E257-L259 PolarHBondContact O-N 2.71Å; E257-Q260 PolarHBondContact O-N 2.93Å; E257-Q261 WeakPolarHBondContact O-CG 3.44Å; E257-Q261 PolarHBondContact O-N 2.72Å; E257-L563 HydrophobicContact CB-CD2 3.88Å |
| 258 | A | 90.2 | Very high | 85.8 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T254 V255 Q261 L262 L563 L569 L631 | T254-A258 PolarHBondContact O-N 3.01Å; V255-A258 PolarHBondContact O-N 3.39Å; A258-Q261 PolarHBondContact O-N 2.9Å; A258-L262 WeakPolarHBondContact O-CB 3.34Å; A258-L262 PolarHBondContact O-N 3.21Å; A258-L563 HydrophobicContact CB-CD1 3.79Å; A258-L563 HydrophobicContact CB-CD2 3.96Å; A258-L563 HydrophobicContact CB-CG 4.49Å; A258-L569 HydrophobicContact CB-CD1 3.68Å; A258-L631 HydrophobicContact CB-CD1 4.03Å; A258-L631 HydrophobicContact CB-CD2 4.43Å |
| 259 | L | 88.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 176.6 | -174.2 | 57.1 | 0 | 0 | 0 | 111.7 | V255 L256 E257 I263 L447 L451 P628 L631 | V255-L259 WeakPolarHBondContact O-CB 3.32Å; V255-L259 PolarHBondContact O-N 3.41Å; L256-L259 PolarHBondContact O-N 2.72Å; E257-L259 VanDerWaalsContact C-N 3.33Å; E257-L259 PolarHBondContact O-N 2.71Å; L259-I263 HydrophobicContact CD1-CD1 4.35Å; L259-I263 HydrophobicContact CG-CD1 4.2Å; L259-I263 WeakPolarHBondContact O-CD1 3.42Å; L259-I263 VanDerWaalsContact O-CG1 3.27Å; L259-I263 WeakPolarHBondContact O-CG1 3.15Å; L259-I263 PolarHBondContact O-N 3.23Å; L259-L447 HydrophobicContact CD2-CD1 3.98Å; L259-L451 HydrophobicContact CD1-CD1 4.37Å; L259-P628 HydrophobicContact CD1-CB 4.05Å; L259-L631 HydrophobicContact CB-CD1 4.35Å; L259-L631 HydrophobicContact CD1-CB 4.3Å; L259-L631 HydrophobicContact CD1-CD1 4.48Å |
| 260 | Q | 87.3 | Confident | 81.5 | Confident | 53 Ų | 53 | 54.2 Ų | 54.2 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 173.3 | -78.9 | -174.1 | 51.7 | 0 | 0 | 113.1 | L256 E257 L262 I263 R264 | L256-Q260 WeakPolarHBondContact O-CB 3.28Å; L256-Q260 WeakPolarHBondContact O-CG 3.48Å; L256-Q260 PolarHBondContact O-N 3.26Å; E257-Q260 PolarHBondContact O-N 2.93Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; Q260-I263 PolarHBondContact O-N 2.96Å; Q260-R264 WeakPolarHBondContact O-CB 3.22Å; Q260-R264 WeakPolarHBondContact O-CD 3.3Å; Q260-R264 WeakPolarHBondContact O-CG 3.39Å; Q260-R264 PolarHBondContact O-N 3.09Å; Q260-R264 VanDerWaalsContact OE1-NH2 3.12Å |
| 261 | Q | 85.1 | Confident | 79.5 | Confident | 71 Ų | 71 | 56.2 Ų | 56.2 | 33% | 0.332 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 175.5 | -73.9 | -177.1 | 6.1 | 0 | 0 | 110.7 | E257 A258 I263 R264 V265 | E257-Q261 WeakPolarHBondContact O-CG 3.44Å; E257-Q261 PolarHBondContact O-N 2.72Å; A258-Q261 PolarHBondContact O-N 2.9Å; Q261-I263 VanDerWaalsContact C-N 3.34Å; Q261-I263 PolarHBondContact O-N 2.72Å; Q261-R264 PolarHBondContact O-N 3.05Å; Q261-V265 WeakPolarHBondContact O-CG2 3.43Å; Q261-V265 PolarHBondContact O-N 2.77Å |
| 262 | L | 83.1 | Confident | 77.1 | Confident | 36 Ų | 36 | 62.2 Ų | 62.2 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 179 | -170.7 | 57.2 | 0 | 0 | 0 | 112 | A258 Q260 T266 Y626 P628 L631 | A258-L262 WeakPolarHBondContact O-CB 3.34Å; A258-L262 PolarHBondContact O-N 3.21Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; L262-T266 VanDerWaalsContact O-CB 3.28Å; L262-T266 WeakPolarHBondContact O-CB 3.44Å; L262-T266 PolarHBondContact O-N 2.94Å; L262-T266 PolarHBondContact O-OG1 2.93Å; L262-Y626 VanDerWaalsContact CD2-O 3.3Å; L262-Y626 WeakPolarHBondContact CD2-O 3.42Å; L262-P628 HydrophobicContact CD2-CB 4.42Å; L262-P628 HydrophobicContact CD2-CG 3.7Å; L262-P628 HydrophobicContact CG-CG 4.22Å; L262-L631 HydrophobicContact CD2-CD1 3.96Å |
| 263 | I | 81.6 | Confident | 74.7 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 17% | 0.174 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.8 | -45 | 173.3 | -68.9 | 164.7 | 0 | 0 | 0 | 111.2 | L259 Q260 Q261 V265 T266 Q267 L447 | L259-I263 HydrophobicContact CD1-CD1 4.35Å; L259-I263 HydrophobicContact CG-CD1 4.2Å; L259-I263 WeakPolarHBondContact O-CD1 3.42Å; L259-I263 VanDerWaalsContact O-CG1 3.27Å; L259-I263 WeakPolarHBondContact O-CG1 3.15Å; L259-I263 PolarHBondContact O-N 3.23Å; Q260-I263 PolarHBondContact O-N 2.96Å; Q261-I263 VanDerWaalsContact C-N 3.34Å; Q261-I263 PolarHBondContact O-N 2.72Å; I263-V265 VanDerWaalsContact C-N 3.29Å; I263-V265 PolarHBondContact O-N 3.24Å; I263-T266 PolarHBondContact O-N 2.93Å; I263-Q267 PolarHBondContact O-N 2.83Å; I263-L447 HydrophobicContact CD1-CD2 3.79Å |
| 264 | R | 79.4 | Confident | 72.3 | Confident | 147 Ų | 147 | 67.1 Ų | 67.1 | 56% | 0.555 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.3 | -39.1 | 177.9 | -71.4 | 163.7 | -169 | -125 | 7.6 | 112.6 | Q260 Q261 I271 | Q260-R264 WeakPolarHBondContact O-CB 3.22Å; Q260-R264 WeakPolarHBondContact O-CD 3.3Å; Q260-R264 WeakPolarHBondContact O-CG 3.39Å; Q260-R264 PolarHBondContact O-N 3.09Å; Q260-R264 VanDerWaalsContact OE1-NH2 3.12Å; Q261-R264 PolarHBondContact O-N 3.05Å; R264-I271 HydrophobicContact CB-CD1 4.14Å; R264-I271 HydrophobicContact CG-CD1 3.67Å |
| 265 | V | 76 | Confident | 69.9 | Low | 117 Ų | 117 | 75 Ų | 75 | 71% | 0.709 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -76.2 | -36.6 | 177.9 | 173.3 | 0 | 0 | 0 | 0 | 112 | Q261 I263 | Q261-V265 WeakPolarHBondContact O-CG2 3.43Å; Q261-V265 PolarHBondContact O-N 2.77Å; I263-V265 VanDerWaalsContact C-N 3.29Å; I263-V265 PolarHBondContact O-N 3.24Å |
| 266 | T | 71.2 | Confident | 67.5 | Low | 92 Ų | 92 | 78.3 Ų | 78.3 | 56% | 0.564 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -82.2 | -30.7 | -176.3 | -49.2 | 0 | 0 | 0 | 0 | 113 | L262 I263 | L262-T266 VanDerWaalsContact O-CB 3.28Å; L262-T266 WeakPolarHBondContact O-CB 3.44Å; L262-T266 PolarHBondContact O-N 2.94Å; L262-T266 PolarHBondContact O-OG1 2.93Å; I263-T266 PolarHBondContact O-N 2.93Å |
| 267 | Q | 61.4 | Low | 65.1 | Low | 48 Ų | 48 | 85.7 Ų | 85.7 | 22% | 0.224 | 43% | 0.431 | C | S | . | . | trans | -139.1 | 67.3 | -169.9 | -69.9 | 172.1 | -21.5 | 0 | 0 | 112 | I263 E269 L270 | I263-Q267 PolarHBondContact O-N 2.83Å; Q267-E269 PolarHBondContact O-N 2.85Å; Q267-L270 HydrophobicContact CB-CD1 4.06Å; Q267-L270 HydrophobicContact CB-CG 4.26Å; Q267-L270 HydrophobicContact CG-CD1 4.39Å; Q267-L270 PolarHBondContact O-N 3.32Å | ||
| 268 | P | 58.8 | Low | 62.7 | Low | 69 Ų | 69 | 90.7 Ų | 90.7 | 45% | 0.448 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -29.5 | 178.5 | 26.1 | -35 | 0 | 0 | 0 | 113.5 | L270 I271 | P268-L270 VanDerWaalsContact C-N 3.34Å; P268-L270 PolarHBondContact O-N 2.75Å; P268-I271 PolarHBondContact O-N 3.2Å |
| 269 | E | 50.4 | Low | 60.3 | Low | 138 Ų | 138 | 95.2 Ų | 95.2 | 65% | 0.645 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -55.7 | -42.9 | 178.1 | -61.6 | -62.4 | 129.4 | 0 | 0 | 112.8 | Q267 I271 Q272 | Q267-E269 PolarHBondContact O-N 2.85Å; E269-I271 PolarHBondContact O-N 2.69Å; E269-Q272 PolarHBondContact O-N 3.46Å |
| 270 | L | 51.4 | Low | 57.8 | Low | 86 Ų | 86 | 103 Ų | 103 | 45% | 0.45 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70 | -5.7 | -173.5 | -66.8 | -176.8 | 0 | 0 | 0 | 114.5 | Q267 P268 T273 | Q267-L270 HydrophobicContact CB-CD1 4.06Å; Q267-L270 HydrophobicContact CB-CG 4.26Å; Q267-L270 HydrophobicContact CG-CD1 4.39Å; Q267-L270 PolarHBondContact O-N 3.32Å; P268-L270 VanDerWaalsContact C-N 3.34Å; P268-L270 PolarHBondContact O-N 2.75Å; L270-T273 PolarHBondContact O-OG1 2.83Å |
| 271 | I | 52 | Low | 55.3 | Low | 93 Ų | 93 | 108.8 Ų | 108.8 | 48% | 0.477 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -99 | -23.7 | -179.9 | -61.7 | 167.6 | 0 | 0 | 0 | 110.9 | R264 P268 E269 | R264-I271 HydrophobicContact CB-CD1 4.14Å; R264-I271 HydrophobicContact CG-CD1 3.67Å; P268-I271 PolarHBondContact O-N 3.2Å; E269-I271 PolarHBondContact O-N 2.69Å |
| 272 | Q | 45 | Very low | 53 | Low | 126 Ų | 126 | 111.1 Ų | 111.1 | 59% | 0.589 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -80 | -34.1 | -178.4 | -58.7 | -168.7 | 36.3 | 0 | 0 | 112.3 | E269 H274 K275 S276 | E269-Q272 PolarHBondContact O-N 3.46Å; Q272-H274 PolarHBondContact O-N 2.8Å; Q272-K275 PolarHBondContact O-N 2.82Å; Q272-K275 VanDerWaalsContact O-N 3.12Å; Q272-S276 PolarHBondContact O-N 3.38Å; Q272-S276 PolarHBondContact O-OG 3.01Å |
| 273 | T | 44.2 | Very low | 50.9 | Low | 72 Ų | 72 | 118.6 Ų | 118.6 | 44% | 0.442 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -56.3 | -47.4 | -178.9 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | L270 K275 S276 Q277 | L270-T273 PolarHBondContact O-OG1 2.83Å; T273-K275 VanDerWaalsContact C-N 3.29Å; T273-K275 PolarHBondContact O-N 2.87Å; T273-S276 PolarHBondContact O-N 3.35Å; T273-S276 VanDerWaalsContact O-N 3.13Å; T273-Q277 PolarHBondContact O-N 2.94Å; T273-Q277 VanDerWaalsContact O-N 3.12Å |
| 274 | H | 44.2 | Very low | 49 | Very low | 128 Ų | 128 | 126 Ų | 126 | 59% | 0.593 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -61.5 | -35.3 | 177.8 | -88.4 | -76.8 | 0 | 0 | 0 | 113 | Q272 S276 | Q272-H274 PolarHBondContact O-N 2.8Å; H274-S276 VanDerWaalsContact C-N 3.27Å; H274-S276 PolarHBondContact O-N 2.89Å |
| 275 | K | 42.2 | Very low | 46.9 | Very low | 181 Ų | 181 | 124.3 Ų | 124.3 | 79% | 0.787 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -80.1 | -8 | 179.4 | -147.6 | 176.7 | -174.2 | -179.6 | 0 | 113.4 | Q272 T273 | Q272-K275 PolarHBondContact O-N 2.82Å; Q272-K275 VanDerWaalsContact O-N 3.12Å; T273-K275 VanDerWaalsContact C-N 3.29Å; T273-K275 PolarHBondContact O-N 2.87Å |
| 276 | S | 42.1 | Very low | 45.1 | Very low | 71 Ų | 71 | 128.1 Ų | 128.1 | 50% | 0.497 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -103 | -27.9 | 178.3 | -57.9 | 0 | 0 | 0 | 0 | 113.5 | Q272 T273 H274 | Q272-S276 PolarHBondContact O-N 3.38Å; Q272-S276 PolarHBondContact O-OG 3.01Å; T273-S276 PolarHBondContact O-N 3.35Å; T273-S276 VanDerWaalsContact O-N 3.13Å; H274-S276 VanDerWaalsContact C-N 3.27Å; H274-S276 PolarHBondContact O-N 2.89Å |
| 277 | Q | 42.7 | Very low | 43.5 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 73% | 0.729 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.9 | -28.6 | 179.5 | -78.5 | -175.8 | -44 | 0 | 0 | 114 | T273 S279 | T273-Q277 PolarHBondContact O-N 2.94Å; T273-Q277 VanDerWaalsContact O-N 3.12Å; Q277-S279 PolarHBondContact O-N 2.76Å |
| 278 | E | 39.6 | Very low | 42.2 | Very low | 181 Ų | 181 | 131.7 Ų | 131.7 | 85% | 0.846 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 8.6 | -179 | -156.8 | 168.3 | -166.4 | 0 | 0 | 113.5 | ||
| 279 | S | 39.8 | Very low | 41.3 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.9 | 16.1 | -176.3 | -62 | 0 | 0 | 0 | 0 | 114.5 | Q277 | Q277-S279 PolarHBondContact O-N 2.76Š|
| 280 | Q | 36 | Very low | 40.7 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 76% | 0.757 | 71% | 0.714 | S | S | * | * | trans | -135.2 | 80.4 | 176.8 | -65.1 | -167.7 | 9.2 | 0 | 0 | 112.6 | ||||
| 281 | L | 34.9 | Very low | 40.2 | Very low | 175 Ų | 175 | 137 Ų | 137 | 92% | 0.916 | 73% | 0.734 | S | S | * | * | trans | -105 | 114.4 | 158.6 | -83.3 | 167.8 | 0 | 0 | 0 | 108.6 | ||||
| 282 | P | 37.5 | Very low | 39.5 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | trans | -92.3 | 111.9 | -179.6 | 32.9 | -30.5 | 0 | 0 | 0 | 111.7 | ||||
| 283 | E | 39.3 | Very low | 39.1 | Very low | 193 Ų | 193 | 137.6 Ų | 137.6 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | trans | -83.5 | 140.2 | 159.4 | -73 | -156.5 | 128.2 | 0 | 0 | 110.6 | ||||
| 284 | E | 41.1 | Very low | 38.8 | Very low | 188 Ų | 188 | 142.7 Ų | 142.7 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -69.7 | 148.6 | -179.6 | -74.9 | -166.9 | 91 | 0 | 0 | 112.7 | ||||
| 285 | S | 34.3 | Very low | 38.5 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -113 | 135.3 | 172.6 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 286 | K | 38.7 | Very low | 38.4 | Very low | 196 Ų | 196 | 138.6 Ų | 138.6 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | trans | -149.3 | 143 | 161.9 | -112 | 159.4 | -172 | 158.4 | 0 | 110.5 | ||||
| 287 | P | 37.3 | Very low | 38.3 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -124.5 | 155.8 | -144.5 | 38.3 | -23.6 | 0 | 0 | 0 | 116.7 | ||||
| 288 | A | 35.2 | Very low | 38.2 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | 50.3 | 121.3 | 142.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 289 | S | 38.6 | Very low | 38.1 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | -162.9 | 112.9 | 119.7 | 63.5 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 290 | S | 39.4 | Very low | 38 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | trans | 55.3 | 128.6 | 137.2 | 69.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 291 | K | 39.4 | Very low | 37.9 | Very low | 200 Ų | 200 | 139.9 Ų | 139.9 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | trans | 70.2 | 146.2 | 147.3 | -61.3 | 162.1 | -176.4 | 176.6 | 0 | 117.5 | ||||
| 292 | S | 38 | Very low | 38.3 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | cis | -163.1 | 155.6 | -13.5 | 41.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 293 | P | 37.4 | Very low | 38.2 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -95.4 | 165.8 | -166.7 | 38.1 | -37.4 | 0 | 0 | 0 | 115.1 | ||||
| 294 | L | 37.8 | Very low | 38.1 | Very low | 180 Ų | 180 | 131.8 Ų | 131.8 | 94% | 0.942 | 79% | 0.785 | S | S | * | * | trans | -177.4 | 138.9 | 144.1 | -105.9 | 166.6 | 0 | 0 | 0 | 114 | ||||
| 295 | G | 36.7 | Very low | 38 | Very low | 65 Ų | 65 | 127.8 Ų | 127.8 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | trans | 80.7 | 152.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 296 | L | 41 | Very low | 38 | Very low | 158 Ų | 158 | 131.4 Ų | 131.4 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | cis | -159.4 | 147 | -8.1 | -95.8 | 169.9 | 0 | 0 | 0 | 109.3 | ||||
| 297 | E | 39.3 | Very low | 37.8 | Very low | 168 Ų | 168 | 127 Ų | 127 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 51.6 | 150.5 | 148.5 | -57.4 | -62.5 | 85.5 | 0 | 0 | 122.5 | ||||
| 298 | A | 40.6 | Very low | 37.6 | Very low | 78 Ų | 78 | 126.2 Ų | 126.2 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | cis | -169.2 | 136.6 | -23.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 299 | G | 37.5 | Very low | 37.7 | Very low | 79 Ų | 79 | 129.6 Ų | 129.6 | 81% | 0.814 | 77% | 0.767 | S | S | * | * | trans | 70 | 162.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 300 | R | 37.3 | Very low | 37.5 | Very low | 248 Ų | 248 | 129.4 Ų | 129.4 | 94% | 0.936 | 76% | 0.762 | S | S | * | * | cis | -157.3 | 155.3 | -20.8 | -151.6 | 176.9 | -171.8 | 175.4 | 2.4 | 109.8 | ||||
| 301 | T | 34 | Very low | 37.4 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | -117.4 | -166.2 | -177.5 | 56.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 302 | P | 43.3 | Very low | 37.3 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | cis | -133.1 | -160.8 | -45 | 25.4 | -2.2 | 0 | 0 | 0 | 113.8 | ||||
| 303 | V | 36.8 | Very low | 37.3 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | 88.7 | 140.1 | 149.1 | -139 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 304 | A | 37 | Very low | 37.4 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | trans | 102.2 | 99.2 | 138.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 305 | S | 38.6 | Very low | 37.3 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | 67.9 | 139.9 | 117.7 | -54.7 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 306 | E | 35.2 | Very low | 37.3 | Very low | 188 Ų | 188 | 130 Ų | 130 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | trans | 67.6 | 154.7 | 148.2 | -73 | 173.3 | 175.7 | 0 | 0 | 119.1 | ||||
| 307 | C | 32.5 | Very low | 37 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | cis | -163.8 | 163 | -30.7 | -158.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 308 | T | 34.3 | Very low | 36.8 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | trans | 62.2 | 136.5 | 153.7 | 33.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 309 | Q | 36.3 | Very low | 36.5 | Very low | 168 Ų | 168 | 124.8 Ų | 124.8 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 72.7 | 152.9 | 137.6 | -68.9 | 168.7 | 18.4 | 0 | 0 | 120.7 | ||||
| 310 | T | 34.8 | Very low | 36.2 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | cis | -163.7 | 171.4 | -24.8 | 27.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 311 | D | 37.5 | Very low | 36.4 | Very low | 154 Ų | 154 | 120.1 Ų | 120.1 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | trans | 80.6 | 135.9 | 142.6 | -66.7 | -38.4 | 0 | 0 | 0 | 124.9 | ||||
| 312 | G | 37.3 | Very low | 36.4 | Very low | 79 Ų | 79 | 122.2 Ų | 122.2 | 81% | 0.814 | 76% | 0.758 | S | S | * | * | trans | 100 | 148.6 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 313 | A | 39.1 | Very low | 35.8 | Very low | 84 Ų | 84 | 122.5 Ų | 122.5 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | cis | -169.8 | 143.3 | -27.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 314 | E | 38 | Very low | 35.7 | Very low | 186 Ų | 186 | 122.2 Ų | 122.2 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | trans | 55.2 | 170.1 | 151 | -76.2 | 159.7 | 153.8 | 0 | 0 | 119 | ||||
| 315 | E | 36.9 | Very low | 35.5 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | cis | -144.9 | 139.1 | -12.5 | -122.9 | -160.6 | 131.5 | 0 | 0 | 107 | ||||
| 316 | V | 35.6 | Very low | 35.6 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | 69.7 | 131.4 | 97.9 | 174.7 | 0 | 0 | 0 | 0 | 118 | |||||
| 317 | A | 36 | Very low | 35.7 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | 64.8 | 160.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 318 | G | 33.7 | Very low | 36.4 | Very low | 62 Ų | 62 | 124.7 Ų | 124.7 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | cis | 176.5 | 162.4 | -9.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 319 | S | 35.7 | Very low | 36.9 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | 58.9 | 130.2 | 165 | 53.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 320 | C | 29.9 | Very low | 37 | Very low | 121 Ų | 121 | 123 Ų | 123 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -74.5 | -175 | 160.4 | -69.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 321 | P | 41.4 | Very low | 36.9 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | cis | -136.5 | -143.9 | -42.2 | 36.4 | -15.8 | 0 | 0 | 0 | 111.4 | ||||
| 322 | Q | 35.6 | Very low | 36.7 | Very low | 170 Ų | 170 | 126.9 Ų | 126.9 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 81.6 | 151.9 | 169.8 | -54.3 | -166.1 | 19.9 | 0 | 0 | 116.5 | ||||
| 323 | T | 30 | Very low | 36.5 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | cis | -157.8 | -166 | -16.6 | 27.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 324 | T | 35 | Very low | 36.3 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | trans | 80.9 | 104.6 | 175.8 | 71 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 325 | T | 33.3 | Very low | 36.1 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | 83 | 117.4 | 59.5 | 60.7 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 326 | H | 40.6 | Very low | 36.3 | Very low | 186 Ų | 186 | 132.3 Ų | 132.3 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | -178.7 | 172.3 | 120.3 | -90.4 | -56.2 | 0 | 0 | 0 | 111.8 | |||||
| 327 | S | 36.4 | Very low | 36.2 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -125.6 | 157.6 | -153.5 | -48 | 0 | 0 | 0 | 0 | 115 | ||||
| 328 | P | 46.3 | Very low | 36.7 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -92.3 | 169.1 | 178.9 | 38.5 | -36.9 | 0 | 0 | 0 | 113.8 | ||||
| 329 | P | 45 | Very low | 37.3 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | -144.1 | 166.2 | 111.2 | 38.9 | -25 | 0 | 0 | 0 | 113.9 | |||||
| 330 | S | 38.8 | Very low | 37.3 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | -178.4 | 161.8 | 96.1 | -71 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 331 | K | 33.1 | Very low | 37.6 | Very low | 208 Ų | 208 | 136 Ų | 136 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | trans | -124 | 154.6 | 178 | -67.4 | 177.5 | 178.5 | 174.4 | 0 | 112 | ||||
| 332 | C | 33.1 | Very low | 37.2 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 92% | 0.919 | 80% | 0.797 | S | S | * | * | trans | -142.4 | 164.6 | 162.3 | -95.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 333 | K | 32.8 | Very low | 37.4 | Very low | 194 Ų | 194 | 136.3 Ų | 136.3 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -137.2 | 151.8 | -169.8 | -61.1 | 175.3 | 177.6 | 176.8 | 0 | 112.5 | ||||
| 334 | L | 35.4 | Very low | 37.7 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | 176.9 | 132.8 | 149 | -99.6 | 168.2 | 0 | 0 | 0 | 107.7 | ||||
| 335 | V | 34.5 | Very low | 37.7 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | cis | 89.7 | 80.2 | 0.2 | -161.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 336 | V | 40.1 | Very low | 37.8 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | trans | -141.5 | 151 | 158.2 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 337 | K | 32.9 | Very low | 37.8 | Very low | 185 Ų | 185 | 134.3 Ų | 134.3 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -158.6 | -169.1 | -179.3 | -155.2 | -166 | 178.3 | 179.8 | 0 | 109.7 | ||||
| 338 | P | 48.2 | Very low | 37.8 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 68% | 0.675 | 81% | 0.811 | S | S | * | * | -81.8 | -149.7 | -112.5 | 43.6 | -26.3 | 0 | 0 | 0 | 112.4 | |||||
| 339 | P | 45.5 | Very low | 37 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | cis | -138.2 | -176.2 | -8.2 | 42.9 | -24.8 | 0 | 0 | 0 | 116.7 | ||||
| 340 | G | 35.1 | Very low | 36.7 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | 120.2 | 110.9 | 126.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 341 | S | 36.6 | Very low | 36.3 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -179.4 | 161.5 | 133.6 | 37.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 342 | S | 33 | Very low | 36.5 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -143.3 | 147.4 | -168.6 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 343 | L | 40.9 | Very low | 36.6 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -160 | 161.5 | 155 | -108.2 | 164.9 | 0 | 0 | 0 | 110.7 | ||||
| 344 | N | 35.2 | Very low | 36.9 | Very low | 163 Ų | 163 | 128.1 Ų | 128.1 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | -98 | 149.7 | -162.1 | -64.1 | -46.4 | 0 | 0 | 0 | 114.5 | ||||
| 345 | G | 34.6 | Very low | 37 | Very low | 76 Ų | 76 | 129.5 Ų | 129.5 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -175.4 | 118.5 | 169 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 346 | V | 35 | Very low | 37.1 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -149.1 | 145.3 | -179.6 | 163.4 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 347 | P | 41.9 | Very low | 36.9 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -128.6 | -149.9 | 17.8 | 43.1 | -23.6 | 0 | 0 | 0 | 111.7 | ||||
| 348 | P | 35.9 | Very low | 37.3 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | cis | -126.3 | 144.5 | -21.2 | 24.4 | -2.4 | 0 | 0 | 0 | 116.3 | ||||
| 349 | N | 29.2 | Very low | 36.7 | Very low | 158 Ų | 158 | 125 Ų | 125 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | 21.3 | 99 | 139.5 | -149.1 | 43.3 | 0 | 0 | 0 | 120.6 | ||||
| 350 | P | 38.7 | Very low | 36.9 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 154.1 | 157 | 33.8 | -32.7 | 0 | 0 | 0 | 111.9 | ||
| 351 | A | 31.3 | Very low | 37.4 | Very low | 83 Ų | 83 | 127.1 Ų | 127.1 | 69% | 0.686 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 152.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | I353 | A351-I353 PolarHBondContact O-N 3.28Š|
| 352 | P | 37 | Very low | 37.3 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -64 | 124.3 | -176.2 | 25.5 | -34.7 | 0 | 0 | 0 | 111.9 | V354 | P352-V354 PolarHBondContact O-N 3.21Š|
| 353 | I | 34.8 | Very low | 37.9 | Very low | 156 Ų | 156 | 124.9 Ų | 124.9 | 80% | 0.8 | 71% | 0.713 | S | S | * | * | trans | -66.2 | 105.2 | 174.1 | -61 | 172.7 | 0 | 0 | 0 | 108.3 | A351 Q355 | A351-I353 PolarHBondContact O-N 3.28Å; I353-Q355 PolarHBondContact O-N 3.4Å; I353-Q355 VanDerWaalsContact O-N 3.14Å | ||
| 354 | V | 38.3 | Very low | 38.4 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | trans | -64.5 | 113 | 166.2 | 177.7 | 0 | 0 | 0 | 0 | 107.2 | P352 R356 | P352-V354 PolarHBondContact O-N 3.21Å; V354-R356 PolarHBondContact O-N 3.47Å | ||
| 355 | Q | 38.4 | Very low | 38.6 | Very low | 187 Ų | 187 | 121.2 Ų | 121.2 | 87% | 0.874 | 69% | 0.688 | S | S | * | * | trans | -67.1 | 84.1 | 172.9 | -72.9 | -177.5 | -41.5 | 0 | 0 | 109.4 | I353 L357 | I353-Q355 PolarHBondContact O-N 3.4Å; I353-Q355 VanDerWaalsContact O-N 3.14Å; Q355-L357 PolarHBondContact O-N 3.03Å | ||
| 356 | R | 35.7 | Very low | 38.9 | Very low | 209 Ų | 209 | 126.5 Ų | 126.5 | 79% | 0.789 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 130.2 | 168.1 | -166.5 | 173.7 | -170.4 | 133.5 | 4 | 107.6 | V354 | V354-R356 PolarHBondContact O-N 3.47Š|
| 357 | L | 36.1 | Very low | 39.2 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 60% | 0.602 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 143.9 | 172.7 | -72.5 | 169.6 | 0 | 0 | 0 | 109.6 | Q355 A359 L361 | Q355-L357 PolarHBondContact O-N 3.03Å; L357-A359 PolarHBondContact O-N 2.91Å; L357-L361 HydrophobicContact CB-CB 4.19Å; L357-L361 HydrophobicContact CD1-CB 4.41Å; L357-L361 HydrophobicContact CD2-CD1 4.19Å |
| 358 | P | 41.3 | Very low | 38.8 | Very low | 68 Ų | 68 | 127 Ų | 127 | 44% | 0.442 | 68% | 0.683 | S | S | . | * | P | Polyproline II helix | trans | -50.2 | 142.5 | 170.3 | -27.1 | 35.5 | 0 | 0 | 0 | 110.8 | F360 L361 | P358-F360 HydrophobicContact CB-CD1 3.62Å; P358-F360 HydrophobicContact CB-CE1 3.27Å; P358-F360 HydrophobicContact CB-CE2 4.43Å; P358-F360 HydrophobicContact CB-CG 4.35Å; P358-F360 HydrophobicContact CB-CZ 3.72Å; P358-F360 HydrophobicContact CG-CE1 4.04Å; P358-F360 HydrophobicContact CG-CZ 4.09Å; P358-F360 PolarHBondContact O-N 3.34Å; P358-L361 PolarHBondContact O-N 2.96Å |
| 359 | A | 36.7 | Very low | 38.8 | Very low | 72 Ų | 72 | 125.3 Ų | 125.3 | 60% | 0.595 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -61.1 | -12.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L357 L361 | L357-A359 PolarHBondContact O-N 2.91Å; A359-L361 VanDerWaalsContact C-N 3.33Å |
| 360 | F | 50 | Low | 39.2 | Very low | 147 Ų | 147 | 124 Ų | 124 | 65% | 0.645 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -80 | -7.8 | 172.3 | 65.2 | -102.8 | 0 | 0 | 0 | 114.4 | P358 | P358-F360 HydrophobicContact CB-CD1 3.62Å; P358-F360 HydrophobicContact CB-CE1 3.27Å; P358-F360 HydrophobicContact CB-CE2 4.43Å; P358-F360 HydrophobicContact CB-CG 4.35Å; P358-F360 HydrophobicContact CB-CZ 3.72Å; P358-F360 HydrophobicContact CG-CE1 4.04Å; P358-F360 HydrophobicContact CG-CZ 4.09Å; P358-F360 PolarHBondContact O-N 3.34Å |
| 361 | L | 43.6 | Very low | 39.1 | Very low | 90 Ų | 90 | 126.4 Ų | 126.4 | 47% | 0.471 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -109.8 | 12.1 | 173.2 | -62.1 | 179.6 | 0 | 0 | 0 | 112.6 | L357 P358 A359 N363 | L357-L361 HydrophobicContact CB-CB 4.19Å; L357-L361 HydrophobicContact CD1-CB 4.41Å; L357-L361 HydrophobicContact CD2-CD1 4.19Å; P358-L361 PolarHBondContact O-N 2.96Å; A359-L361 VanDerWaalsContact C-N 3.33Å; L361-N363 PolarHBondContact O-N 3.3Å |
| 362 | D | 35.9 | Very low | 39.4 | Very low | 79 Ų | 79 | 129.9 Ų | 129.9 | 42% | 0.422 | 68% | 0.68 | S | S | . | * | trans | -79.7 | 117.1 | 172.3 | -154.6 | -28.8 | 0 | 0 | 0 | 109.1 | H364 N365 | D362-H364 PolarHBondContact O-N 3.06Å; D362-N365 PolarHBondContact O-N 2.99Å; D362-N365 VanDerWaalsContact O-N 3.07Å | ||
| 363 | N | 45.9 | Very low | 39.3 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 63% | 0.631 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -4.4 | -164 | -99.9 | 14.7 | 0 | 0 | 0 | 115.8 | L361 | L361-N363 PolarHBondContact O-N 3.3Š|
| 364 | H | 49.9 | Very low | 39.7 | Very low | 181 Ų | 181 | 133.3 Ų | 133.3 | 84% | 0.838 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 11.6 | -176.1 | -61.2 | -26.9 | 0 | 0 | 0 | 113.8 | D362 | D362-H364 PolarHBondContact O-N 3.06Š|
| 365 | N | 40.3 | Very low | 39.8 | Very low | 78 Ų | 78 | 136.2 Ų | 136.2 | 42% | 0.417 | 69% | 0.687 | S | S | . | * | trans | -122.5 | 33.6 | -175.4 | -164.2 | 27.3 | 0 | 0 | 0 | 114.6 | D362 A367 K368 | D362-N365 PolarHBondContact O-N 2.99Å; D362-N365 VanDerWaalsContact O-N 3.07Å; N365-A367 PolarHBondContact O-N 3.31Å; N365-K368 PolarHBondContact O-N 3.13Å | ||
| 366 | Y | 40.6 | Very low | 40 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 73% | 0.733 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -8.9 | -175.6 | -87.5 | -85.6 | 0 | 0 | 0 | 116.4 | ||
| 367 | A | 41.1 | Very low | 40.3 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -0.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N365 | N365-A367 PolarHBondContact O-N 3.31Š|
| 368 | K | 34.8 | Very low | 40.2 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 72% | 0.717 | 70% | 0.703 | S | S | * | * | trans | -134.7 | 64.9 | -173.6 | -68.6 | -168.3 | 176.1 | -173.8 | 0 | 114.4 | N365 | N365-K368 PolarHBondContact O-N 3.13Š| ||
| 369 | S | 35.9 | Very low | 40.2 | Very low | 76 Ų | 76 | 134.2 Ų | 134.2 | 53% | 0.531 | 72% | 0.722 | S | S | . | * | trans | -89.5 | 117.4 | 154.7 | -64.4 | 0 | 0 | 0 | 0 | 108.9 | M371 | S369-M371 PolarHBondContact O-N 2.92Å; S369-M371 VanDerWaalsContact O-N 3.09Å | ||
| 370 | P | 36.3 | Very low | 40.1 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 86% | 0.857 | 73% | 0.729 | S | S | * | * | trans | -69 | 105.4 | 171 | -13.5 | 29 | 0 | 0 | 0 | 108.8 | ||||
| 371 | M | 38.2 | Very low | 39.5 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 80% | 0.803 | 74% | 0.742 | S | S | * | * | trans | -82.9 | 128.9 | 164.2 | -85.4 | -171.9 | 64.3 | 0 | 0 | 108.9 | S369 | S369-M371 PolarHBondContact O-N 2.92Å; S369-M371 VanDerWaalsContact O-N 3.09Å | ||
| 372 | Q | 36.7 | Very low | 38.9 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | -71.2 | 131.5 | 179.1 | -170.2 | 167.3 | -74.3 | 0 | 0 | 109.7 | E374 | Q372-E374 PolarHBondContact NE2-OE2 3.47Å; Q372-E374 PolarHBondContact O-N 3.03Å | ||
| 373 | E | 35.5 | Very low | 38.9 | Very low | 200 Ų | 200 | 142 Ų | 142 | 94% | 0.935 | 78% | 0.782 | S | S | * | * | trans | -75.2 | 103.4 | 174.8 | -65.9 | 178 | 147.7 | 0 | 0 | 109.1 | ||||
| 374 | E | 41.8 | Very low | 38.2 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | -138.8 | 51.9 | -177.3 | -161 | 167 | 179.8 | 0 | 0 | 111.9 | Q372 | Q372-E374 PolarHBondContact NE2-OE2 3.47Å; Q372-E374 PolarHBondContact O-N 3.03Å | ||
| 375 | E | 41.1 | Very low | 37.5 | Very low | 188 Ų | 188 | 145.1 Ų | 145.1 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -125.6 | -14.5 | 171.1 | -87.2 | -172.9 | 127.1 | 0 | 0 | 114.9 | L377 | E375-L377 PolarHBondContact O-N 3.11Š|
| 376 | D | 42.3 | Very low | 37.4 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -87.4 | 5.4 | -177.2 | -99.4 | -24.2 | 0 | 0 | 0 | 115.1 | ||
| 377 | L | 41.5 | Very low | 37.1 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 88% | 0.88 | 82% | 0.815 | S | S | * | * | trans | -105.7 | 44 | -178 | -66.5 | -179 | 0 | 0 | 0 | 113.8 | E375 | E375-L377 PolarHBondContact O-N 3.11Š| ||
| 378 | A | 35 | Very low | 36.8 | Very low | 100 Ų | 100 | 146.6 Ų | 146.6 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -99.1 | 26.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 379 | A | 41.9 | Very low | 36.8 | Very low | 103 Ų | 103 | 148.2 Ų | 148.2 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -133 | 71.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 380 | G | 34.5 | Very low | 36.5 | Very low | 71 Ų | 71 | 148.3 Ų | 148.3 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | S | Bend | trans | 110.1 | 165.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 381 | V | 37.8 | Very low | 36.8 | Very low | 153 Ų | 153 | 148.2 Ų | 148.2 | 93% | 0.927 | 83% | 0.825 | S | S | * | * | trans | 58.9 | 77.8 | 176.3 | -164.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 382 | G | 30.8 | Very low | 36.6 | Very low | 75 Ų | 75 | 147 Ų | 147 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -78.2 | 154.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 383 | R | 35.9 | Very low | 36.4 | Very low | 254 Ų | 254 | 148.9 Ų | 148.9 | 96% | 0.958 | 83% | 0.826 | S | S | * | * | trans | -132.3 | 132.3 | 156.7 | -84.7 | -172.8 | 166.6 | -175.3 | -3.3 | 109.8 | ||||
| 384 | S | 30.7 | Very low | 36.4 | Very low | 121 Ų | 121 | 150 Ų | 150 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -81 | 131.9 | -173 | -177.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 385 | R | 35.6 | Very low | 36 | Very low | 243 Ų | 243 | 147.1 Ų | 147.1 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | -140.5 | 148.9 | 157.9 | -90.5 | -169.6 | 172.4 | 173.6 | -1.8 | 111.3 | ||||
| 386 | V | 36.9 | Very low | 36.1 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 78% | 0.782 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 140.1 | -164.1 | -178.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 387 | P | 35.3 | Very low | 36 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 137.9 | 171.5 | 30.6 | -35.1 | 0 | 0 | 0 | 111.9 | ||
| 388 | V | 35.3 | Very low | 36 | Very low | 146 Ų | 146 | 147 Ų | 147 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 137.3 | 175.4 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 389 | R | 32.9 | Very low | 36.5 | Very low | 199 Ų | 199 | 149.3 Ų | 149.3 | 75% | 0.751 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 140.1 | -175.9 | 174.5 | 174.9 | 169.7 | 168.8 | -4.5 | 111.6 | ||
| 390 | A | 31.6 | Very low | 36.6 | Very low | 78 Ų | 78 | 150.5 Ų | 150.5 | 65% | 0.645 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 140.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 391 | P | 41.4 | Very low | 37.1 | Very low | 130 Ų | 130 | 158.2 Ų | 158.2 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 140.7 | 169.3 | -18.9 | 32.4 | 0 | 0 | 0 | 111.2 | ||
| 392 | Q | 34.5 | Very low | 37.2 | Very low | 137 Ų | 137 | 159.2 Ų | 159.2 | 64% | 0.64 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -87 | 150.5 | 172 | -70.2 | 168.4 | -122.1 | 0 | 0 | 109.7 | ||
| 393 | Q | 32 | Very low | 37.8 | Very low | 196 Ų | 196 | 163 Ų | 163 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 143.7 | 170.3 | -65.2 | 165.3 | -86.7 | 0 | 0 | 110.2 | ||
| 394 | Y | 35.3 | Very low | 38.2 | Very low | 223 Ų | 223 | 159 Ų | 159 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | trans | -122.6 | 138 | 158.2 | -87.4 | -89.8 | 0 | 0 | 0 | 107.8 | ||||
| 395 | S | 33.4 | Very low | 38.6 | Very low | 91 Ų | 91 | 160.7 Ų | 160.7 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | -88.4 | 149.2 | 170.2 | 48.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 396 | E | 43.5 | Very low | 38.8 | Very low | 201 Ų | 201 | 159 Ų | 159 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | trans | -123.9 | 131 | 151.6 | -69.1 | -177.1 | 134.1 | 0 | 0 | 105.4 | ||||
| 397 | D | 39.7 | Very low | 38.6 | Very low | 137 Ų | 137 | 159.5 Ų | 159.5 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | trans | -94.7 | 156.9 | -173.3 | -53 | -80.5 | 0 | 0 | 0 | 111.1 | ||||
| 398 | E | 42.3 | Very low | 38.8 | Very low | 181 Ų | 181 | 160.3 Ų | 160.3 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | 160.1 | 159.3 | 131.1 | -85.7 | -177.9 | 156 | 0 | 0 | 112 | ||||
| 399 | D | 44.2 | Very low | 38.8 | Very low | 149 Ų | 149 | 161.2 Ų | 161.2 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | 55.3 | 93.4 | 172.4 | -54.7 | -15.7 | 0 | 0 | 0 | 117.2 | ||||
| 400 | D | 44.8 | Very low | 38.5 | Very low | 128 Ų | 128 | 158.4 Ų | 158.4 | 68% | 0.684 | 80% | 0.8 | S | S | * | * | 75.2 | 117.3 | 55.1 | -164.8 | 23.6 | 0 | 0 | 0 | 115 | |||||
| 401 | Y | 46.1 | Very low | 38.7 | Very low | 232 Ų | 232 | 160.9 Ų | 160.9 | 91% | 0.91 | 81% | 0.807 | S | S | * | * | trans | 178 | 134.3 | 143.7 | -93.5 | -56.1 | 0 | 0 | 0 | 110.2 | ||||
| 402 | E | 39.6 | Very low | 38.1 | Very low | 175 Ų | 175 | 162.2 Ų | 162.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -89.2 | 156.4 | -174.8 | -55.9 | 176 | 125.2 | 0 | 0 | 113.2 | ||||
| 403 | D | 43.4 | Very low | 38.3 | Very low | 153 Ų | 153 | 160.4 Ų | 160.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -175.8 | 117.8 | 131.3 | -98.8 | -14.6 | 0 | 0 | 0 | 113.1 | ||||
| 404 | E | 42.9 | Very low | 38.1 | Very low | 171 Ų | 171 | 156 Ų | 156 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | 32.8 | 109.8 | 148.6 | -54.6 | -170.3 | 154.5 | 0 | 0 | 123.1 | ||||
| 405 | D | 39.2 | Very low | 38 | Very low | 157 Ų | 157 | 150.8 Ų | 150.8 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | 49.3 | 124.4 | 119 | -57.6 | -16.2 | 0 | 0 | 0 | 123.9 | |||||
| 406 | E | 40.3 | Very low | 37.7 | Very low | 206 Ų | 206 | 157.5 Ų | 157.5 | 96% | 0.963 | 80% | 0.802 | S | S | * | * | -157.2 | 142 | 116.6 | -125.7 | -175.3 | -173.1 | 0 | 0 | 112.2 | |||||
| 407 | D | 33.9 | Very low | 37.2 | Very low | 141 Ų | 141 | 157.9 Ų | 157.9 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | -118.2 | 119.9 | -157.9 | -158.2 | -10.2 | 0 | 0 | 0 | 112.8 | ||||
| 408 | V | 38.5 | Very low | 36.6 | Very low | 136 Ų | 136 | 161 Ų | 161 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -144 | 82.5 | 159.5 | -167.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 409 | Q | 34.3 | Very low | 36.1 | Very low | 165 Ų | 165 | 163.7 Ų | 163.7 | 77% | 0.771 | 81% | 0.806 | S | S | * | * | 39.6 | 97.4 | 129.2 | -60.6 | 177.5 | 0.4 | 0 | 0 | 119.9 | |||||
| 410 | N | 28.7 | Very low | 35.3 | Very low | 140 Ų | 140 | 166.3 Ų | 166.3 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | 23.5 | 128.6 | 120.6 | -145 | 1.2 | 0 | 0 | 0 | 117.9 | |||||
| 411 | T | 34.8 | Very low | 34.6 | Very low | 130 Ų | 130 | 163.3 Ų | 163.3 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | -164 | 133.3 | 91.1 | 22.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 412 | N | 28.7 | Very low | 33.8 | Very low | 157 Ų | 157 | 159 Ų | 159 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -108.7 | 120 | 168.7 | -102 | -58.5 | 0 | 0 | 0 | 111.3 | ||||
| 413 | P | 38.4 | Very low | 33.3 | Very low | 100 Ų | 100 | 154 Ų | 154 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | trans | -94.2 | 105.3 | 166.1 | 33 | -28.3 | 0 | 0 | 0 | 111.2 | I415 | P413-I415 HydrophobicContact CB-CG1 4.45Å; P413-I415 PolarHBondContact O-N 2.78Å | ||
| 414 | A | 28.5 | Very low | 32.6 | Very low | 103 Ų | 103 | 156.2 Ų | 156.2 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -74.3 | 91 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R416 | A414-R416 PolarHBondContact O-N 3.24Š| ||
| 415 | I | 33.9 | Very low | 32 | Very low | 114 Ų | 114 | 154.2 Ų | 154.2 | 59% | 0.585 | 81% | 0.807 | S | S | * | * | trans | -86.6 | 94.7 | -178.1 | -53.1 | -174.3 | 0 | 0 | 0 | 111.9 | P413 Y417 | P413-I415 HydrophobicContact CB-CG1 4.45Å; P413-I415 PolarHBondContact O-N 2.78Å; I415-Y417 HydrophobicContact CB-CE2 4.5Å; I415-Y417 HydrophobicContact CG2-CD2 3.66Å; I415-Y417 HydrophobicContact CG2-CE1 4.31Å; I415-Y417 HydrophobicContact CG2-CE2 3.32Å; I415-Y417 HydrophobicContact CG2-CG 4.28Å; I415-Y417 PolarHBondContact O-N 2.74Å; I415-Y417 VanDerWaalsContact O-N 3.16Å | ||
| 416 | R | 27 | Very low | 31.5 | Very low | 232 Ų | 232 | 150.4 Ų | 150.4 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | trans | -81.2 | 77.5 | -179.3 | -168.8 | -168.6 | -147.4 | 169.1 | 9 | 112.7 | A414 K418 | A414-R416 PolarHBondContact O-N 3.24Å; R416-K418 PolarHBondContact O-N 3.08Å | ||
| 417 | Y | 31.8 | Very low | 30.8 | Very low | 209 Ų | 209 | 146.1 Ų | 146.1 | 82% | 0.82 | 80% | 0.797 | S | S | * | * | trans | -72.1 | 84.1 | 176.9 | -80.4 | -59.1 | 0 | 0 | 0 | 114.1 | I415 R419 | I415-Y417 HydrophobicContact CB-CE2 4.5Å; I415-Y417 HydrophobicContact CG2-CD2 3.66Å; I415-Y417 HydrophobicContact CG2-CE1 4.31Å; I415-Y417 HydrophobicContact CG2-CE2 3.32Å; I415-Y417 HydrophobicContact CG2-CG 4.28Å; I415-Y417 PolarHBondContact O-N 2.74Å; I415-Y417 VanDerWaalsContact O-N 3.16Å; Y417-R419 PolarHBondContact O-N 2.96Å | ||
| 418 | K | 28.1 | Very low | 30.7 | Very low | 202 Ų | 202 | 146.9 Ų | 146.9 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | trans | -76.8 | 92 | 163.6 | -129.7 | -172.1 | -174.7 | -176.7 | 0 | 109.3 | R416 | R416-K418 PolarHBondContact O-N 3.08Š| ||
| 419 | R | 31.4 | Very low | 30.1 | Very low | 238 Ų | 238 | 144.6 Ų | 144.6 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -100.9 | 94.5 | 170.7 | -159.5 | 174.4 | -164 | 176.7 | 5.7 | 111.3 | Y417 G421 | Y417-R419 PolarHBondContact O-N 2.96Å; R419-G421 PolarHBondContact O-N 3.2Å | ||
| 420 | K | 26.8 | Very low | 29.9 | Very low | 203 Ų | 203 | 143.8 Ų | 143.8 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -74 | 88.1 | 172.7 | -170.9 | -179.7 | -178.2 | -176.1 | 0 | 109.2 | ||||
| 421 | G | 31.5 | Very low | 29.8 | Very low | 66 Ų | 66 | 142 Ų | 142 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | -107 | 96.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | R419 G423 | R419-G421 PolarHBondContact O-N 3.2Å; G421-G423 PolarHBondContact O-N 2.98Å | ||
| 422 | T | 27.7 | Very low | 29.6 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -78.6 | 95.3 | 174.6 | 47.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 423 | G | 29.9 | Very low | 29.5 | Very low | 69 Ų | 69 | 142.5 Ų | 142.5 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -111 | 127.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | G421 | G421-G423 PolarHBondContact O-N 2.98Š| ||
| 424 | K | 29.2 | Very low | 29 | Very low | 201 Ų | 201 | 140.6 Ų | 140.6 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -70.3 | 144.1 | 176.9 | -64 | 177.8 | 178.9 | 179.2 | 0 | 110.6 | G426 | K424-G426 PolarHBondContact O-N 3.28Š| ||
| 425 | P | 29.2 | Very low | 29 | Very low | 128 Ų | 128 | 145 Ų | 145 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -64.4 | 122.2 | 154.9 | 29 | -31.5 | 0 | 0 | 0 | 108.5 | S427 | P425-S427 PolarHBondContact O-N 3.22Š| ||
| 426 | G | 28.7 | Very low | 28.8 | Very low | 77 Ų | 77 | 146.5 Ų | 146.5 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -78.2 | 102.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K424 L428 | K424-G426 PolarHBondContact O-N 3.28Å; G426-L428 PolarHBondContact O-N 2.98Å | ||
| 427 | S | 25.7 | Very low | 29.1 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -73.6 | 101.5 | 177.5 | 167.2 | 0 | 0 | 0 | 0 | 112.4 | P425 | P425-S427 PolarHBondContact O-N 3.22Š| ||
| 428 | L | 31.5 | Very low | 29.3 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -145.1 | 103.5 | 157.2 | -73 | -178.7 | 0 | 0 | 0 | 107 | G426 | G426-L428 PolarHBondContact O-N 2.98Š| ||
| 429 | S | 27.3 | Very low | 29.8 | Very low | 89 Ų | 89 | 129.5 Ų | 129.5 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | 59.9 | 116.1 | 95.4 | 70.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 430 | N | 28.8 | Very low | 30.4 | Very low | 147 Ų | 147 | 124.5 Ų | 124.5 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | cis | -136.8 | 134.1 | 28.2 | -76.1 | -39.6 | 0 | 0 | 0 | 111.3 | ||||
| 431 | S | 27.6 | Very low | 31.2 | Very low | 104 Ų | 104 | 119.3 Ų | 119.3 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | 80.4 | 82.7 | 72.5 | -50.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 432 | S | 30.2 | Very low | 32.3 | Very low | 118 Ų | 118 | 121 Ų | 121 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -174.3 | 73.5 | 146.3 | 37.9 | 0 | 0 | 0 | 0 | 112.3 | G434 | S432-G434 VanDerWaalsContact C-N 3.28Å; S432-G434 PolarHBondContact O-N 3.37Å | ||
| 433 | D | 25.9 | Very low | 33.8 | Very low | 178 Ų | 178 | 115.8 Ų | 115.8 | 95% | 0.952 | 71% | 0.705 | S | S | * | * | trans | -69.1 | 85.2 | 166.7 | -80.7 | -62.2 | 0 | 0 | 0 | 110.5 | Q435 | D433-Q435 PolarHBondContact O-N 2.96Š| ||
| 434 | G | 28.7 | Very low | 35.3 | Very low | 61 Ų | 61 | 113.4 Ų | 113.4 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | trans | -76.2 | 107 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S432 L436 | S432-G434 VanDerWaalsContact C-N 3.28Å; S432-G434 PolarHBondContact O-N 3.37Å; G434-L436 VanDerWaalsContact C-N 3.29Å; G434-L436 PolarHBondContact O-N 3.37Å | ||
| 435 | Q | 27.4 | Very low | 36.8 | Very low | 194 Ų | 194 | 108.6 Ų | 108.6 | 91% | 0.907 | 66% | 0.659 | S | S | * | * | trans | -68.8 | 79.8 | -178.5 | -166.8 | 178.5 | 32.6 | 0 | 0 | 111.8 | D433 S437 | D433-Q435 PolarHBondContact O-N 2.96Å; Q435-S437 PolarHBondContact O-N 2.93Å | ||
| 436 | L | 30.1 | Very low | 38.6 | Very low | 146 Ų | 146 | 105.7 Ų | 105.7 | 76% | 0.764 | 64% | 0.639 | S | S | * | * | trans | -68.2 | 86.6 | -179.8 | -84.7 | 165.5 | 0 | 0 | 0 | 111.6 | G434 V438 | G434-L436 VanDerWaalsContact C-N 3.29Å; G434-L436 PolarHBondContact O-N 3.37Å; L436-V438 PolarHBondContact O-N 2.9Å | ||
| 437 | S | 32.7 | Very low | 40.2 | Very low | 98 Ų | 98 | 103 Ų | 103 | 69% | 0.685 | 61% | 0.607 | S | S | * | * | trans | -67.8 | 122.1 | 176.1 | -165.9 | 0 | 0 | 0 | 0 | 110.9 | Q435 L439 | Q435-S437 PolarHBondContact O-N 2.93Å; S437-L439 PolarHBondContact O-N 3.48Å | ||
| 438 | V | 37.4 | Very low | 41.9 | Very low | 129 Ų | 129 | 98.6 Ų | 98.6 | 78% | 0.782 | 58% | 0.575 | S | S | * | * | trans | -70 | 99.7 | -179.8 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | L436 Q440 | L436-V438 PolarHBondContact O-N 2.9Å; V438-Q440 PolarHBondContact O-N 3.47Å | ||
| 439 | L | 38.9 | Very low | 43.4 | Very low | 59 Ų | 59 | 96.9 Ų | 96.9 | 31% | 0.309 | 56% | 0.563 | S | S | . | * | trans | -66 | 115.3 | 176.8 | -68.4 | 177.6 | 0 | 0 | 0 | 110.6 | S437 | S437-L439 PolarHBondContact O-N 3.48Š| ||
| 440 | Q | 42.7 | Very low | 45 | Very low | 133 Ų | 133 | 97.4 Ų | 97.4 | 62% | 0.621 | 55% | 0.554 | S | S | * | * | trans | -65.9 | 158.3 | -174.9 | -70.8 | -167.1 | -11.3 | 0 | 0 | 112.7 | V438 N442 T443 | V438-Q440 PolarHBondContact O-N 3.47Å; Q440-N442 PolarHBondContact O-N 3.18Å; Q440-T443 WeakPolarHBondContact O-CB 3.21Å; Q440-T443 PolarHBondContact O-N 3.35Å; Q440-T443 PolarHBondContact O-OG1 2.87Å | ||
| 441 | P | 44.8 | Very low | 46.5 | Very low | 95 Ų | 95 | 91.6 Ų | 91.6 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -32.4 | -178 | -29.7 | 36.4 | 0 | 0 | 0 | 115 | T443 I444 | P441-T443 PolarHBondContact O-N 3.35Å; P441-I444 PolarHBondContact O-N 2.99Å |
| 442 | N | 53.7 | Low | 48 | Very low | 100 Ų | 100 | 92.2 Ų | 92.2 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -55.2 | -20.7 | 177 | -61.7 | -10 | 0 | 0 | 0 | 113.8 | Q440 I444 N445 V446 | Q440-N442 PolarHBondContact O-N 3.18Å; N442-I444 PolarHBondContact O-N 3.49Å; N442-N445 PolarHBondContact O-N 3.32Å; N442-N445 VanDerWaalsContact O-N 3.1Å; N442-V446 WeakPolarHBondContact O-CG2 3.45Å; N442-V446 PolarHBondContact O-N 2.87Å |
| 443 | T | 60.3 | Low | 49.1 | Very low | 32 Ų | 32 | 92.8 Ų | 92.8 | 20% | 0.196 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -56.7 | -34.9 | 178.1 | -53.7 | 0 | 0 | 0 | 0 | 112.3 | L256 Q440 P441 L447 | L256-T443 HydrophobicContact CD2-CG2 4.36Å; Q440-T443 WeakPolarHBondContact O-CB 3.21Å; Q440-T443 PolarHBondContact O-N 3.35Å; Q440-T443 PolarHBondContact O-OG1 2.87Å; P441-T443 PolarHBondContact O-N 3.35Å; T443-L447 HydrophobicContact CG2-CD1 3.89Å; T443-L447 HydrophobicContact CG2-CG 4.26Å; T443-L447 WeakPolarHBondContact O-CB 3.31Å; T443-L447 VanDerWaalsContact O-CG 3.24Å; T443-L447 WeakPolarHBondContact O-CG 3.33Å; T443-L447 PolarHBondContact O-N 3.4Å |
| 444 | I | 59.5 | Low | 50.3 | Low | 19 Ų | 19 | 85.8 Ų | 85.8 | 10% | 0.097 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -68.9 | -40 | 177.5 | -67.4 | -177.5 | 0 | 0 | 0 | 111.4 | P441 N442 T448 L632 L635 E639 | P441-I444 PolarHBondContact O-N 2.99Å; N442-I444 PolarHBondContact O-N 3.49Å; I444-T448 VanDerWaalsContact O-CB 3.23Å; I444-T448 WeakPolarHBondContact O-CB 3.46Å; I444-T448 PolarHBondContact O-N 3.07Å; I444-T448 PolarHBondContact O-OG1 3.37Å; I444-L632 HydrophobicContact CG2-CD1 4.3Å; I444-L635 HydrophobicContact CD1-CD1 4.45Å; I444-L635 HydrophobicContact CD1-CD2 3.81Å; I444-L635 HydrophobicContact CD1-CG 3.8Å; I444-L635 HydrophobicContact CG1-CD2 3.79Å; I444-L635 HydrophobicContact CG1-CG 4.35Å; I444-E639 HydrophobicContact CD1-CG 3.54Å; I444-E639 WeakPolarHBondContact CD1-OE1 3.48Å |
| 445 | N | 61.6 | Low | 51.2 | Low | 100 Ų | 100 | 87.7 Ų | 87.7 | 54% | 0.535 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.3 | -49.2 | 176.1 | -67.6 | -8.8 | 0 | 0 | 0 | 110 | N442 L447 T448 E449 | N442-N445 PolarHBondContact O-N 3.32Å; N442-N445 VanDerWaalsContact O-N 3.1Å; N445-L447 VanDerWaalsContact C-N 3.34Å; N445-L447 PolarHBondContact O-N 2.97Å; N445-T448 CarbonylContact O-C 3.58Å; N445-T448 PolarHBondContact O-N 2.96Å; N445-T448 VanDerWaalsContact O-N 3.09Å; N445-E449 WeakPolarHBondContact O-CB 3.49Å; N445-E449 WeakPolarHBondContact O-CG 3.31Å; N445-E449 PolarHBondContact O-N 3.39Å |
| 446 | V | 66.1 | Low | 52.1 | Low | 68 Ų | 68 | 85.2 Ų | 85.2 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 178 | 174.4 | 0 | 0 | 0 | 0 | 112.4 | N442 K450 | N442-V446 WeakPolarHBondContact O-CG2 3.45Å; N442-V446 PolarHBondContact O-N 2.87Å; V446-K450 HydrophobicContact CG1-CD 4.32Å; V446-K450 WeakPolarHBondContact O-CB 3.48Å; V446-K450 VanDerWaalsContact O-CG 3.32Å; V446-K450 WeakPolarHBondContact O-CG 3.44Å; V446-K450 PolarHBondContact O-N 2.68Å |
| 447 | L | 62.5 | Low | 52.6 | Low | 21 Ų | 21 | 84.8 Ų | 84.8 | 11% | 0.11 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -71.8 | -35.6 | 175.7 | -69.3 | 176.2 | 0 | 0 | 0 | 112.2 | L256 L259 I263 T443 N445 L451 | L256-L447 HydrophobicContact CD2-CD1 4.08Å; L259-L447 HydrophobicContact CD2-CD1 3.98Å; I263-L447 HydrophobicContact CD1-CD2 3.79Å; T443-L447 HydrophobicContact CG2-CD1 3.89Å; T443-L447 HydrophobicContact CG2-CG 4.26Å; T443-L447 WeakPolarHBondContact O-CB 3.31Å; T443-L447 VanDerWaalsContact O-CG 3.24Å; T443-L447 WeakPolarHBondContact O-CG 3.33Å; T443-L447 PolarHBondContact O-N 3.4Å; N445-L447 VanDerWaalsContact C-N 3.34Å; N445-L447 PolarHBondContact O-N 2.97Å; L447-L451 VanDerWaalsContact O-CB 3.3Å; L447-L451 WeakPolarHBondContact O-CB 3.45Å; L447-L451 WeakPolarHBondContact O-CD1 3.19Å; L447-L451 WeakPolarHBondContact O-CG 3.44Å; L447-L451 PolarHBondContact O-N 2.74Å |
| 448 | T | 62.3 | Low | 52.9 | Low | 23 Ų | 23 | 87.2 Ų | 87.2 | 14% | 0.141 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 175.1 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | I444 N445 L451 Q452 L632 | I444-T448 VanDerWaalsContact O-CB 3.23Å; I444-T448 WeakPolarHBondContact O-CB 3.46Å; I444-T448 PolarHBondContact O-N 3.07Å; I444-T448 PolarHBondContact O-OG1 3.37Å; N445-T448 CarbonylContact O-C 3.58Å; N445-T448 PolarHBondContact O-N 2.96Å; N445-T448 VanDerWaalsContact O-N 3.09Å; T448-L451 PolarHBondContact O-N 3.08Å; T448-Q452 HydrophobicContact CG2-CG 4.5Å; T448-Q452 WeakPolarHBondContact O-CB 3.39Å; T448-Q452 WeakPolarHBondContact O-CG 3.19Å; T448-Q452 PolarHBondContact O-N 2.95Å; T448-L632 HydrophobicContact CG2-CD2 4.28Å |
| 449 | E | 62.9 | Low | 52.7 | Low | 121 Ų | 121 | 85.6 Ų | 85.6 | 57% | 0.565 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.3 | -50.2 | 176.7 | -73.7 | 173.6 | 153.4 | 0 | 0 | 110.6 | N445 L451 Q452 E453 | N445-E449 WeakPolarHBondContact O-CB 3.49Å; N445-E449 WeakPolarHBondContact O-CG 3.31Å; N445-E449 PolarHBondContact O-N 3.39Å; E449-L451 VanDerWaalsContact C-N 3.27Å; E449-L451 PolarHBondContact O-N 3.48Å; E449-Q452 PolarHBondContact O-N 3.43Å; E449-E453 VanDerWaalsContact O-CB 3.31Å; E449-E453 WeakPolarHBondContact O-CB 3.03Å; E449-E453 PolarHBondContact O-N 3.33Å |
| 450 | K | 60.7 | Low | 52.5 | Low | 99 Ų | 99 | 88.7 Ų | 88.7 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.6 | -36.5 | 175.2 | -73.6 | -176.5 | 176.3 | -166.5 | 0 | 112.9 | V446 S454 | V446-K450 HydrophobicContact CG1-CD 4.32Å; V446-K450 WeakPolarHBondContact O-CB 3.48Å; V446-K450 VanDerWaalsContact O-CG 3.32Å; V446-K450 WeakPolarHBondContact O-CG 3.44Å; V446-K450 PolarHBondContact O-N 2.68Å; K450-S454 WeakPolarHBondContact O-CB 3.34Å; K450-S454 PolarHBondContact O-N 2.9Å; K450-S454 PolarHBondContact O-OG 2.77Å |
| 451 | L | 59.5 | Low | 52.1 | Low | 26 Ų | 26 | 87.6 Ų | 87.6 | 14% | 0.136 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -74.7 | -25.8 | 174.7 | -74.5 | 170.6 | 0 | 0 | 0 | 114 | L259 L447 T448 E449 Q455 P628 L632 | L259-L451 HydrophobicContact CD1-CD1 4.37Å; L447-L451 VanDerWaalsContact O-CB 3.3Å; L447-L451 WeakPolarHBondContact O-CB 3.45Å; L447-L451 WeakPolarHBondContact O-CD1 3.19Å; L447-L451 WeakPolarHBondContact O-CG 3.44Å; L447-L451 PolarHBondContact O-N 2.74Å; T448-L451 PolarHBondContact O-N 3.08Å; E449-L451 VanDerWaalsContact C-N 3.27Å; E449-L451 PolarHBondContact O-N 3.48Å; L451-Q455 WeakPolarHBondContact O-CB 3.33Å; L451-P628 HydrophobicContact CD1-CB 4.07Å; L451-P628 HydrophobicContact CD2-CB 3.77Å; L451-P628 HydrophobicContact CD2-CG 4.4Å; L451-L632 HydrophobicContact CD1-CD2 4.33Å |
| 452 | Q | 59 | Low | 51.6 | Low | 116 Ų | 116 | 90.6 Ų | 90.6 | 54% | 0.542 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -81.9 | -38.9 | 173.8 | -77.4 | -174.4 | 9.1 | 0 | 0 | 112.2 | T448 E449 Q455 K456 | T448-Q452 HydrophobicContact CG2-CG 4.5Å; T448-Q452 WeakPolarHBondContact O-CB 3.39Å; T448-Q452 WeakPolarHBondContact O-CG 3.19Å; T448-Q452 PolarHBondContact O-N 2.95Å; E449-Q452 PolarHBondContact O-N 3.43Å; Q452-Q455 PolarHBondContact O-N 2.77Å; Q452-K456 PolarHBondContact O-N 2.76Å |
| 453 | E | 55.3 | Low | 50.6 | Low | 131 Ų | 131 | 91.6 Ų | 91.6 | 61% | 0.612 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.4 | -54.6 | 177.9 | -170.5 | 162.8 | -124.5 | 0 | 0 | 110.3 | E449 Q455 K456 | E449-E453 VanDerWaalsContact O-CB 3.31Å; E449-E453 WeakPolarHBondContact O-CB 3.03Å; E449-E453 PolarHBondContact O-N 3.33Å; E453-Q455 PolarHBondContact O-N 3.01Å; E453-K456 PolarHBondContact O-N 2.71Å |
| 454 | S | 51.1 | Low | 49.4 | Very low | 30 Ų | 30 | 97.5 Ų | 97.5 | 21% | 0.21 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -5.5 | 174.6 | 59.8 | 0 | 0 | 0 | 0 | 115.6 | K450 | K450-S454 WeakPolarHBondContact O-CB 3.34Å; K450-S454 PolarHBondContact O-N 2.9Å; K450-S454 PolarHBondContact O-OG 2.77Å |
| 455 | Q | 47.1 | Very low | 48.3 | Very low | 102 Ų | 102 | 105.9 Ų | 105.9 | 48% | 0.477 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.5 | -10.6 | 175.5 | -154.4 | 153.4 | 121.2 | 0 | 0 | 113.5 | L451 Q452 E453 | L451-Q455 WeakPolarHBondContact O-CB 3.33Å; Q452-Q455 PolarHBondContact O-N 2.77Å; E453-Q455 PolarHBondContact O-N 3.01Å |
| 456 | K | 45.6 | Very low | 46.8 | Very low | 142 Ų | 142 | 107.7 Ų | 107.7 | 62% | 0.617 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -37.9 | 172.4 | -69.6 | 172.3 | -177.1 | 169.9 | 0 | 111.4 | Q452 E453 L458 S459 | Q452-K456 PolarHBondContact O-N 2.76Å; E453-K456 PolarHBondContact O-N 2.71Å; K456-L458 PolarHBondContact O-N 3.14Å; K456-S459 PolarHBondContact O-N 3Å; K456-S459 VanDerWaalsContact O-N 3.15Å; K456-S459 PolarHBondContact O-OG 2.99Å |
| 457 | D | 41.7 | Very low | 45.4 | Very low | 136 Ų | 136 | 110.2 Ų | 110.2 | 73% | 0.727 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -2.8 | -174.4 | -60.7 | -30.8 | 0 | 0 | 0 | 115.1 | ||
| 458 | L | 38.4 | Very low | 44 | Very low | 150 Ų | 150 | 115.5 Ų | 115.5 | 79% | 0.785 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 5.6 | 176.6 | -78.2 | 161.2 | 0 | 0 | 0 | 113.8 | K456 V460 | K456-L458 PolarHBondContact O-N 3.14Å; L458-V460 PolarHBondContact O-N 3.44Å |
| 459 | S | 33.3 | Very low | 42.8 | Very low | 95 Ų | 95 | 118.3 Ų | 118.3 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | trans | -91.6 | 62.2 | -174.8 | 61.9 | 0 | 0 | 0 | 0 | 114.7 | K456 P461 | K456-S459 PolarHBondContact O-N 3Å; K456-S459 VanDerWaalsContact O-N 3.15Å; K456-S459 PolarHBondContact O-OG 2.99Å; S459-P461 WeakPolarHBondContact O-CD 3.46Å | ||
| 460 | V | 34 | Very low | 41.6 | Very low | 124 Ų | 124 | 118 Ų | 118 | 75% | 0.752 | 69% | 0.685 | S | S | * | * | trans | -82.1 | 119.8 | 169.6 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | L458 L462 | L458-V460 PolarHBondContact O-N 3.44Å; V460-L462 PolarHBondContact O-N 2.91Å | ||
| 461 | P | 33.8 | Very low | 40.5 | Very low | 109 Ų | 109 | 117.1 Ų | 117.1 | 71% | 0.708 | 70% | 0.704 | S | S | * | * | trans | -78 | 107.2 | -177.2 | 29.9 | -34 | 0 | 0 | 0 | 112.2 | S459 S463 | S459-P461 WeakPolarHBondContact O-CD 3.46Å; P461-S463 PolarHBondContact O-N 3.27Å | ||
| 462 | L | 34.2 | Very low | 39.5 | Very low | 158 Ų | 158 | 121.5 Ų | 121.5 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | trans | -68.6 | 96 | 173 | -82.6 | 169.2 | 0 | 0 | 0 | 111.6 | V460 I464 | V460-L462 PolarHBondContact O-N 2.91Å; L462-I464 PolarHBondContact O-N 3.1Å | ||
| 463 | S | 32.7 | Very low | 38.6 | Very low | 121 Ų | 121 | 122.1 Ų | 122.1 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | -72.5 | 108.5 | 171.5 | -66.1 | 0 | 0 | 0 | 0 | 110.8 | P461 | P461-S463 PolarHBondContact O-N 3.27Š| ||
| 464 | I | 36.8 | Very low | 37.7 | Very low | 156 Ų | 156 | 120.3 Ų | 120.3 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | -109.6 | 139.9 | 169.8 | -63.7 | -176.9 | 0 | 0 | 0 | 110 | L462 | L462-I464 PolarHBondContact O-N 3.1Š| ||
| 465 | K | 35.1 | Very low | 37.1 | Very low | 196 Ų | 196 | 125.9 Ų | 125.9 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -86.5 | 134.6 | -160 | -171 | 173.5 | -178.6 | 176.3 | 0 | 112.2 | ||||
| 466 | T | 30.7 | Very low | 36.3 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -69.5 | 137.9 | 176 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 467 | S | 37 | Very low | 35.9 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -134.5 | 148.4 | 159.4 | 56.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 468 | S | 33.5 | Very low | 35.7 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -96.8 | 135.9 | -169.6 | 45.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 469 | G | 36.1 | Very low | 35.5 | Very low | 82 Ų | 82 | 123.9 Ų | 123.9 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -152.7 | 131.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 470 | A | 37.6 | Very low | 35.7 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 94% | 0.942 | 83% | 0.828 | S | S | * | * | trans | -100.5 | 140.6 | -171 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 471 | G | 36.9 | Very low | 35.8 | Very low | 81 Ų | 81 | 126.4 Ų | 126.4 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | -172.1 | 111 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 472 | S | 38.5 | Very low | 35.9 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -90 | 175.7 | 177.6 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 473 | P | 41.4 | Very low | 36.1 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | cis | -126.5 | -177.1 | -3.6 | 27.3 | -4.3 | 0 | 0 | 0 | 114.2 | ||||
| 474 | A | 35.5 | Very low | 36.1 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | -92.6 | 162.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 475 | V | 38.5 | Very low | 36.7 | Very low | 147 Ų | 147 | 125.8 Ų | 125.8 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | trans | -121 | 135.7 | 158.1 | 176.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 476 | A | 31.9 | Very low | 37.2 | Very low | 94 Ų | 94 | 122.5 Ų | 122.5 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | -138.5 | 138.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 477 | V | 37 | Very low | 37.5 | Very low | 136 Ų | 136 | 122 Ų | 122 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | -138.5 | 134.2 | 169 | 179.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 478 | P | 37.6 | Very low | 37.9 | Very low | 112 Ų | 112 | 122.1 Ų | 122.1 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -91.8 | 156.4 | -156.8 | 35.1 | -37.2 | 0 | 0 | 0 | 114.8 | ||||
| 479 | T | 32.4 | Very low | 38.1 | Very low | 145 Ų | 145 | 123.2 Ų | 123.2 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -76.5 | 137.7 | 156.2 | 45 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 480 | H | 38.7 | Very low | 38.3 | Very low | 180 Ų | 180 | 128.5 Ų | 128.5 | 83% | 0.833 | 82% | 0.818 | S | S | * | * | trans | -132.7 | 135.4 | 171.1 | -141.5 | -64.8 | 0 | 0 | 0 | 110.1 | ||||
| 481 | S | 35.6 | Very low | 38.4 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 65% | 0.65 | 81% | 0.81 | S | S | * | * | trans | -103 | 151 | -168.9 | 45.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 482 | Q | 36.1 | Very low | 38.8 | Very low | 178 Ų | 178 | 130.9 Ų | 130.9 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -140.8 | 122.4 | 160 | -78 | -61.6 | -81.9 | 0 | 0 | 109.1 | ||||
| 483 | P | 37.6 | Very low | 38.8 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 163.2 | 169.2 | 35.1 | -33.2 | 0 | 0 | 0 | 111.4 | ||
| 484 | S | 34.5 | Very low | 38.9 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 147.8 | 178.3 | 37.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 485 | P | 48.7 | Very low | 38.9 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 148.5 | 170.3 | 33.3 | -33.6 | 0 | 0 | 0 | 112.3 | ||
| 486 | T | 45.5 | Very low | 39.2 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 159.5 | 175.9 | 37.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 487 | P | 37.2 | Very low | 39.6 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 147.4 | -179.5 | 30.8 | -36 | 0 | 0 | 0 | 112.5 | ||
| 488 | S | 45.2 | Very low | 39.7 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -104.7 | 142.1 | 174.8 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 489 | N | 36.9 | Very low | 39.5 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -108.3 | 122.3 | 176 | 59.4 | -58.5 | 0 | 0 | 0 | 110.4 | ||||
| 490 | E | 41.8 | Very low | 39.7 | Very low | 194 Ų | 194 | 134 Ų | 134 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | -143.8 | 146.9 | 164.7 | -151.9 | 165.3 | 138.2 | 0 | 0 | 110.6 | ||||
| 491 | S | 38.2 | Very low | 39.6 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -113.9 | 145.5 | -172.1 | -55.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 492 | T | 45.5 | Very low | 39.7 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -145.2 | 124.7 | 159.2 | -65.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 493 | D | 39.5 | Very low | 39.7 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | -119.7 | 124 | 176.5 | 173.5 | 24.5 | 0 | 0 | 0 | 108.2 | ||||
| 494 | T | 43.4 | Very low | 39.4 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -152.4 | 112.5 | 167.4 | 50.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 495 | A | 35.5 | Very low | 39.7 | Very low | 90 Ų | 90 | 132 Ų | 132 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | -92.4 | 149.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 496 | S | 44.9 | Very low | 39.2 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | -161.5 | 153 | 158.2 | -82.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 497 | E | 39.2 | Very low | 39 | Very low | 182 Ų | 182 | 138 Ų | 138 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -96.3 | -167.9 | -173.5 | -58.9 | 176.4 | 95.2 | 0 | 0 | 112.7 | ||||
| 498 | I | 40.3 | Very low | 39.1 | Very low | 177 Ų | 177 | 137 Ų | 137 | 91% | 0.908 | 80% | 0.804 | S | S | * | * | trans | 67.5 | 151.8 | 175.5 | 80.5 | 156 | 0 | 0 | 0 | 116 | ||||
| 499 | G | 32.8 | Very low | 38.7 | Very low | 63 Ų | 63 | 136.8 Ų | 136.8 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | cis | 146.8 | 145.2 | -5.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 500 | S | 37.4 | Very low | 38.7 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | 68.5 | 125.1 | -168.8 | -162.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 501 | A | 36.2 | Very low | 38.5 | Very low | 88 Ų | 88 | 138.3 Ų | 138.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | cis | 98.6 | 144.5 | 26.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 502 | F | 37.1 | Very low | 38.6 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 80% | 0.803 | 80% | 0.799 | S | S | * | * | trans | 99 | 128 | 159.4 | -138.6 | -123.2 | 0 | 0 | 0 | 120.4 | ||||
| 503 | N | 36.3 | Very low | 38.3 | Very low | 128 Ų | 128 | 137 Ų | 137 | 68% | 0.684 | 80% | 0.798 | S | S | * | * | trans | 57.7 | 124.6 | 160.4 | -71.7 | -0.1 | 0 | 0 | 0 | 123.6 | ||||
| 504 | S | 31.6 | Very low | 37.8 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -88.5 | 156.4 | 156.5 | -38.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 505 | P | 41 | Very low | 37.5 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -140 | 129.6 | 144.2 | 33.3 | -16.8 | 0 | 0 | 0 | 115.8 | ||||
| 506 | L | 39 | Very low | 37.6 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | 22.7 | 128.8 | 138.5 | -56.3 | 170.3 | 0 | 0 | 0 | 121.5 | ||||
| 507 | R | 39.6 | Very low | 37.4 | Very low | 228 Ų | 228 | 144.6 Ų | 144.6 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | 50.7 | 132.3 | 133.2 | -65.7 | 179.5 | 173 | -109.4 | 1.1 | 118.7 | ||||
| 508 | S | 39.8 | Very low | 37.3 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | cis | -157.3 | 170.4 | 21.4 | -37.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 509 | P | 37.5 | Very low | 37.1 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -94.7 | 151 | -167.9 | 36.2 | -35.1 | 0 | 0 | 0 | 115.8 | ||||
| 510 | I | 37.3 | Very low | 37.1 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | trans | -160.8 | 134.2 | 149 | -114.6 | 165.4 | 0 | 0 | 0 | 112.2 | ||||
| 511 | R | 37 | Very low | 37.2 | Very low | 222 Ų | 222 | 139.6 Ų | 139.6 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | 45.5 | 120.5 | 160.5 | -64.8 | -175.9 | 175 | -129.8 | -3.2 | 122 | ||||
| 512 | S | 39.8 | Very low | 37 | Very low | 121 Ų | 121 | 141 Ų | 141 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 85.6 | 156.1 | 131.9 | 73.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 513 | A | 38.4 | Very low | 36.9 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | trans | 77.6 | 147.6 | 179 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 514 | N | 29.2 | Very low | 36.8 | Very low | 158 Ų | 158 | 135 Ų | 135 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -64.8 | 148.6 | -174.1 | -62.7 | -19.1 | 0 | 0 | 0 | 114 | ||||
| 515 | P | 37.8 | Very low | 36.9 | Very low | 129 Ų | 129 | 137 Ų | 137 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -117.5 | 134.8 | 148.1 | 15.4 | 4.7 | 0 | 0 | 0 | 112.6 | ||||
| 516 | T | 38.4 | Very low | 36.6 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | trans | -94.7 | 120.1 | 176.7 | 46.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 517 | R | 39.2 | Very low | 36.4 | Very low | 236 Ų | 236 | 131.6 Ų | 131.6 | 89% | 0.891 | 74% | 0.743 | S | S | * | * | trans | 60 | 173.7 | 155.6 | -104.5 | -169.3 | 164.8 | -132.6 | -0.6 | 117.3 | ||||
| 518 | P | 38.3 | Very low | 36.2 | Very low | 89 Ų | 89 | 128.3 Ų | 128.3 | 58% | 0.578 | 74% | 0.735 | S | S | * | * | cis | -129.9 | -178.6 | -23.1 | 31.1 | -11.4 | 0 | 0 | 0 | 114.5 | ||||
| 519 | S | 35 | Very low | 36.1 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | trans | 71.3 | 99.7 | 150.4 | 39.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 520 | S | 34.1 | Very low | 36.1 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | trans | -126.1 | 152.2 | 140.8 | -161.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 521 | P | 38.6 | Very low | 35.9 | Very low | 118 Ų | 118 | 129 Ų | 129 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | trans | -72.6 | 146.5 | -161 | 27.6 | -34.3 | 0 | 0 | 0 | 114.4 | T523 | P521-T523 PolarHBondContact O-N 3.04Š| ||
| 522 | V | 31 | Very low | 35.7 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 72% | 0.715 | 70% | 0.702 | S | S | * | * | trans | -67.1 | 112.8 | 178.9 | 173 | 0 | 0 | 0 | 0 | 110.6 | I526 | V522-I526 HydrophobicContact CG1-CD1 4.42Š| ||
| 523 | T | 36.3 | Very low | 35.5 | Very low | 95 Ų | 95 | 121.1 Ų | 121.1 | 58% | 0.583 | 69% | 0.691 | S | S | * | * | trans | -72.8 | 145.2 | 153.7 | 52.3 | 0 | 0 | 0 | 0 | 109 | P521 H525 | P521-T523 PolarHBondContact O-N 3.04Å; T523-H525 PolarHBondContact O-N 3.31Å | ||
| 524 | S | 33.8 | Very low | 35.3 | Very low | 91 Ų | 91 | 123.1 Ų | 123.1 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | trans | -80.5 | 92.8 | -155.4 | 53.4 | 0 | 0 | 0 | 0 | 114.9 | I526 | S524-I526 PolarHBondContact O-N 3.15Š| ||
| 525 | H | 33.8 | Very low | 35.8 | Very low | 157 Ų | 157 | 120 Ų | 120 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | trans | -76.9 | 9.9 | 152.9 | -78 | -56.4 | 0 | 0 | 0 | 113.3 | T523 S527 K528 | T523-H525 PolarHBondContact O-N 3.31Å; H525-S527 VanDerWaalsContact C-N 3.31Å; H525-S527 PolarHBondContact O-N 3.14Å; H525-K528 PolarHBondContact O-N 3.32Å | ||
| 526 | I | 35.7 | Very low | 35.9 | Very low | 90 Ų | 90 | 117.6 Ų | 117.6 | 46% | 0.462 | 66% | 0.658 | S | S | . | * | G | 310 helix | trans | -71.1 | -21.8 | -170.4 | -66.3 | 176.5 | 0 | 0 | 0 | 112.8 | V522 S524 K528 V529 L530 | V522-I526 HydrophobicContact CG1-CD1 4.42Å; S524-I526 PolarHBondContact O-N 3.15Å; I526-K528 PolarHBondContact O-N 2.97Å; I526-V529 PolarHBondContact O-N 2.72Å; I526-V529 VanDerWaalsContact O-N 3.11Å; I526-L530 HydrophobicContact CG2-CD1 3.46Å; I526-L530 VanDerWaalsContact CG2-CD1 3.46Å; I526-L530 HydrophobicContact CG2-CG 3.84Å; I526-L530 PolarHBondContact O-N 2.68Å |
| 527 | S | 32.8 | Very low | 35.8 | Very low | 68 Ų | 68 | 116.8 Ų | 116.8 | 48% | 0.476 | 65% | 0.648 | S | S | . | * | G | 310 helix | trans | -68.7 | 3.4 | 171.1 | 51.1 | 0 | 0 | 0 | 0 | 114.6 | H525 E651 | H525-S527 VanDerWaalsContact C-N 3.31Å; H525-S527 PolarHBondContact O-N 3.14Å; S527-E651 WeakPolarHBondContact CB-OE1 3.43Å |
| 528 | K | 37.1 | Very low | 36.1 | Very low | 159 Ų | 159 | 110.6 Ų | 110.6 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -112.2 | -2.7 | 168.2 | -73.3 | -168.8 | 172.2 | -172.6 | 0 | 115.6 | H525 I526 | H525-K528 PolarHBondContact O-N 3.32Å; I526-K528 PolarHBondContact O-N 2.97Å |
| 529 | V | 37.3 | Very low | 36.7 | Very low | 90 Ų | 90 | 111.8 Ų | 111.8 | 55% | 0.545 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -127.9 | -6.6 | -169.7 | -170.3 | 0 | 0 | 0 | 0 | 113.1 | I526 | I526-V529 PolarHBondContact O-N 2.72Å; I526-V529 VanDerWaalsContact O-N 3.11Å |
| 530 | L | 36.7 | Very low | 37.4 | Very low | 126 Ų | 126 | 109.7 Ų | 109.7 | 66% | 0.66 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -106.7 | -7.5 | 172.6 | -67.7 | -178.8 | 0 | 0 | 0 | 114.5 | I526 | I526-L530 HydrophobicContact CG2-CD1 3.46Å; I526-L530 VanDerWaalsContact CG2-CD1 3.46Å; I526-L530 HydrophobicContact CG2-CG 3.84Å; I526-L530 PolarHBondContact O-N 2.68Å |
| 531 | F | 34.5 | Very low | 38.1 | Very low | 183 Ų | 183 | 107.5 Ų | 107.5 | 80% | 0.803 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -146.4 | 125.8 | 171.3 | -60 | -77.7 | 0 | 0 | 0 | 109.9 | ||
| 532 | G | 32.1 | Very low | 38.8 | Very low | 44 Ų | 44 | 104.3 Ų | 104.3 | 45% | 0.454 | 57% | 0.567 | S | S | . | * | trans | 101.3 | 9.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | D534 D535 | G532-D534 VanDerWaalsContact C-N 3.27Å; G532-D534 PolarHBondContact O-N 2.94Å; G532-D535 PolarHBondContact O-N 3.18Å | ||
| 533 | E | 34.6 | Very low | 40.1 | Very low | 134 Ų | 134 | 102.6 Ų | 102.6 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.1 | -30.8 | 174.5 | -71.1 | -162.1 | 123.7 | 0 | 0 | 112.8 | D535 | E533-D535 VanDerWaalsContact C-N 3.34Å; E533-D535 PolarHBondContact O-N 3.4Å |
| 534 | D | 34.7 | Very low | 41.3 | Very low | 138 Ų | 138 | 105.4 Ų | 105.4 | 74% | 0.738 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.3 | -33 | 172.6 | -66.6 | -63.4 | 0 | 0 | 0 | 113.6 | G532 S536 L537 | G532-D534 VanDerWaalsContact C-N 3.27Å; G532-D534 PolarHBondContact O-N 2.94Å; D534-S536 VanDerWaalsContact C-N 3.35Å; D534-S536 PolarHBondContact O-N 2.83Å; D534-L537 PolarHBondContact O-N 2.88Å |
| 535 | D | 40.8 | Very low | 42.8 | Very low | 91 Ų | 91 | 110.2 Ų | 110.2 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -77.1 | -24.3 | -173.8 | -137.7 | -29.5 | 0 | 0 | 0 | 112.2 | G532 E533 L537 L538 R539 | G532-D535 PolarHBondContact O-N 3.18Å; E533-D535 VanDerWaalsContact C-N 3.34Å; E533-D535 PolarHBondContact O-N 3.4Å; D535-L537 VanDerWaalsContact C-N 3.27Å; D535-L537 PolarHBondContact O-N 3.13Å; D535-L538 PolarHBondContact O-N 2.88Å; D535-R539 WeakPolarHBondContact O-CB 3.24Å; D535-R539 PolarHBondContact O-N 2.9Å |
| 536 | S | 39.5 | Very low | 45.2 | Very low | 80 Ų | 80 | 104 Ų | 104 | 56% | 0.559 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.8 | -29.7 | 174.9 | -67 | 0 | 0 | 0 | 0 | 112.5 | D534 V540 | D534-S536 VanDerWaalsContact C-N 3.35Å; D534-S536 PolarHBondContact O-N 2.83Å; S536-V540 WeakPolarHBondContact O-CG2 3.31Å; S536-V540 PolarHBondContact O-N 3.22Å |
| 537 | L | 37.1 | Very low | 47.8 | Very low | 116 Ų | 116 | 102.5 Ų | 102.5 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.4 | -46.1 | 171.2 | -80.5 | 164.9 | 0 | 0 | 0 | 111.5 | D534 D535 R539 V540 D541 | D534-L537 PolarHBondContact O-N 2.88Å; D535-L537 VanDerWaalsContact C-N 3.27Å; D535-L537 PolarHBondContact O-N 3.13Å; L537-R539 PolarHBondContact O-N 3.43Å; L537-V540 PolarHBondContact O-N 2.74Å; L537-V540 VanDerWaalsContact O-N 3.1Å; L537-D541 PolarHBondContact O-N 2.87Å |
| 538 | L | 44.3 | Very low | 50.4 | Low | 105 Ų | 105 | 99.2 Ų | 99.2 | 55% | 0.55 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.9 | -39.4 | 176.9 | -63.7 | 179.1 | 0 | 0 | 0 | 112 | D535 D541 C542 | D535-L538 PolarHBondContact O-N 2.88Å; L538-D541 PolarHBondContact O-N 2.88Å; L538-C542 WeakPolarHBondContact O-CB 3.3Å; L538-C542 PolarHBondContact O-N 2.92Å; L538-C542 PolarHBondContact O-SG 2.84Å; L538-C542 VanDerWaalsContact O-SG 3.39Å |
| 539 | R | 50.4 | Low | 52.8 | Low | 114 Ų | 114 | 91.9 Ų | 91.9 | 43% | 0.43 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 177.1 | -150.1 | 168.4 | 175.5 | -164.2 | -4.1 | 112.2 | D535 L537 I543 E641 | D535-R539 WeakPolarHBondContact O-CB 3.24Å; D535-R539 PolarHBondContact O-N 2.9Å; L537-R539 PolarHBondContact O-N 3.43Å; R539-I543 HydrophobicContact CG-CD1 4.41Å; R539-I543 WeakPolarHBondContact O-CB 3.48Å; R539-I543 VanDerWaalsContact O-CD1 3.31Å; R539-I543 WeakPolarHBondContact O-CD1 3.27Å; R539-I543 WeakPolarHBondContact O-CG1 3.39Å; R539-I543 PolarHBondContact O-N 2.83Å; R539-I543 VanDerWaalsContact O-N 3.13Å; R539-E641 IonicContact CZ-OE1 2.9Å; R539-E641 VanDerWaalsContact NH2-CG 3.33Å; R539-E641 IonicContact NH2-OE1 2.77Å; R539-E641 PolarHBondContact NH2-OE1 3Å |
| 540 | V | 49.3 | Very low | 55.3 | Low | 73 Ų | 73 | 94 Ų | 94 | 44% | 0.442 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.9 | -35.6 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 112.2 | S536 L537 R544 | S536-V540 WeakPolarHBondContact O-CG2 3.31Å; S536-V540 PolarHBondContact O-N 3.22Å; L537-V540 PolarHBondContact O-N 2.74Å; L537-V540 VanDerWaalsContact O-N 3.1Å; V540-R544 WeakPolarHBondContact O-CG 3.38Å; V540-R544 PolarHBondContact O-N 2.86Å |
| 541 | D | 49.5 | Very low | 57.7 | Low | 68 Ų | 68 | 89.8 Ų | 89.8 | 36% | 0.364 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -78.2 | -38.7 | 178.5 | -73.5 | -20.9 | 0 | 0 | 0 | 113 | L537 L538 I543 R544 Y545 | L537-D541 PolarHBondContact O-N 2.87Å; L538-D541 PolarHBondContact O-N 2.88Å; D541-I543 VanDerWaalsContact C-N 3.32Å; D541-I543 PolarHBondContact O-N 3.17Å; D541-R544 PolarHBondContact O-N 2.67Å; D541-R544 IonicContact OD1-CZ 3.44Å; D541-R544 IonicContact OD1-NE 2.68Å; D541-R544 PolarHBondContact OD1-NE 2.97Å; D541-R544 IonicContact OD1-NH2 2.65Å; D541-R544 PolarHBondContact OD1-NH2 3.02Å; D541-Y545 WeakPolarHBondContact O-CD2 3.5Å; D541-Y545 PolarHBondContact O-N 3.17Å |
| 542 | C | 54.1 | Low | 60.3 | Low | 51 Ų | 51 | 81.1 Ų | 81.1 | 35% | 0.345 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59 | -41.5 | 171.3 | -76.5 | 0 | 0 | 0 | 0 | 112.3 | L538 R544 N546 V549 | L538-C542 WeakPolarHBondContact O-CB 3.3Å; L538-C542 PolarHBondContact O-N 2.92Å; L538-C542 PolarHBondContact O-SG 2.84Å; L538-C542 VanDerWaalsContact O-SG 3.39Å; C542-R544 VanDerWaalsContact C-N 3.33Å; C542-R544 PolarHBondContact O-N 2.93Å; C542-N546 WeakPolarHBondContact O-CB 3.44Å; C542-N546 PolarHBondContact O-N 3.02Å; C542-N546 VanDerWaalsContact O-N 3.15Å; C542-V549 HydrophobicContact CB-CG1 4.39Å |
| 543 | I | 58 | Low | 62.8 | Low | 81 Ų | 81 | 79.6 Ų | 79.6 | 42% | 0.415 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.4 | -33.7 | 177.3 | -70.5 | 164.9 | 0 | 0 | 0 | 112.1 | R539 D541 V549 | R539-I543 HydrophobicContact CG-CD1 4.41Å; R539-I543 WeakPolarHBondContact O-CB 3.48Å; R539-I543 VanDerWaalsContact O-CD1 3.31Å; R539-I543 WeakPolarHBondContact O-CD1 3.27Å; R539-I543 WeakPolarHBondContact O-CG1 3.39Å; R539-I543 PolarHBondContact O-N 2.83Å; R539-I543 VanDerWaalsContact O-N 3.13Å; D541-I543 VanDerWaalsContact C-N 3.32Å; D541-I543 PolarHBondContact O-N 3.17Å; I543-V549 HydrophobicContact CG1-CG1 3.8Å |
| 544 | R | 60.8 | Low | 65.4 | Low | 155 Ų | 155 | 77.8 Ų | 77.8 | 59% | 0.585 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -77.2 | -31.9 | -178.2 | -77.4 | -170.3 | -71.8 | -168 | -0.5 | 114.2 | V540 D541 C542 | V540-R544 WeakPolarHBondContact O-CG 3.38Å; V540-R544 PolarHBondContact O-N 2.86Å; D541-R544 PolarHBondContact O-N 2.67Å; D541-R544 IonicContact OD1-CZ 3.44Å; D541-R544 IonicContact OD1-NE 2.68Å; D541-R544 PolarHBondContact OD1-NE 2.97Å; D541-R544 IonicContact OD1-NH2 2.65Å; D541-R544 PolarHBondContact OD1-NH2 3.02Å; C542-R544 VanDerWaalsContact C-N 3.33Å; C542-R544 PolarHBondContact O-N 2.93Å |
| 545 | Y | 65.4 | Low | 68 | Low | 191 Ų | 191 | 73.1 Ų | 73.1 | 75% | 0.749 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -115.2 | -7.8 | -169 | -64.4 | -69.6 | 0 | 0 | 0 | 115.8 | D541 | D541-Y545 WeakPolarHBondContact O-CD2 3.5Å; D541-Y545 PolarHBondContact O-N 3.17Å |
| 546 | N | 85.7 | Confident | 70.3 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 14% | 0.144 | 34% | 0.34 | C | S | . | . | trans | -115.8 | 122.3 | -178.3 | -162.3 | -79 | 0 | 0 | 0 | 112.5 | C542 A548 V549 R550 E630 A633 | C542-N546 WeakPolarHBondContact O-CB 3.44Å; C542-N546 PolarHBondContact O-N 3.02Å; C542-N546 VanDerWaalsContact O-N 3.15Å; N546-A548 PolarHBondContact O-N 3.24Å; N546-A548 PolarHBondContact OD1-N 2.79Å; N546-V549 HydrophobicContact CB-CB 4.08Å; N546-V549 HydrophobicContact CB-CG2 3.89Å; N546-V549 PolarHBondContact O-N 3.15Å; N546-R550 WeakPolarHBondContact O-CB 3.34Å; N546-R550 PolarHBondContact O-N 3.01Å; N546-E630 WeakPolarHBondContact OD1-CA 3.32Å; N546-A633 HydrophobicContact CB-CB 4.31Å; N546-A633 VanDerWaalsContact ND2-CB 3.27Å; N546-A633 WeakPolarHBondContact ND2-CB 3.4Å | ||
| 547 | R | 89.2 | Confident | 72.4 | Confident | 58 Ų | 58 | 65.7 Ų | 65.7 | 22% | 0.219 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.1 | -51.3 | -176.3 | -173.2 | -170.2 | 176.2 | 165.3 | 5.4 | 112.4 | V549 R550 D551 E624 Y626 E630 | R547-V549 VanDerWaalsContact C-N 3.34Å; R547-V549 PolarHBondContact O-N 3.32Å; R547-R550 PolarHBondContact O-N 3.15Å; R547-D551 WeakPolarHBondContact CG-OD2 3.37Å; R547-D551 IonicContact NE-OD2 2.68Å; R547-D551 PolarHBondContact NE-OD2 3.45Å; R547-D551 VanDerWaalsContact O-CB 3.29Å; R547-D551 WeakPolarHBondContact O-CB 3.09Å; R547-D551 PolarHBondContact O-N 3.22Å; R547-E624 IonicContact CZ-OE2 3.46Å; R547-E624 VanDerWaalsContact CZ-OE2 3.23Å; R547-E624 IonicContact NH1-OE2 2.89Å; R547-E624 PolarHBondContact NH1-OE2 2.7Å; R547-E624 IonicContact NH2-OE2 3.23Å; R547-E624 PolarHBondContact NH2-OE2 2.99Å; R547-Y626 HydrophobicContact CG-CD1 4.35Å; R547-Y626 HydrophobicContact CG-CE1 4Å; R547-E630 HydrophobicContact CB-CG 4.49Å; R547-E630 WeakPolarHBondContact CB-OE1 3.32Å |
| 548 | A | 87.2 | Confident | 74.9 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.4 | -40.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N546 L552 Y626 E630 L634 | N546-A548 PolarHBondContact O-N 3.24Å; N546-A548 PolarHBondContact OD1-N 2.79Å; A548-L552 VanDerWaalsContact O-CB 3.27Å; A548-L552 WeakPolarHBondContact O-CB 3.29Å; A548-L552 PolarHBondContact O-N 2.72Å; A548-Y626 HydrophobicContact CB-CD1 3.69Å; A548-Y626 HydrophobicContact CB-CE1 3.97Å; A548-Y626 HydrophobicContact CB-CG 4.04Å; A548-E630 HydrophobicContact CB-CB 3.87Å; A548-L634 HydrophobicContact CB-CB 4.01Å; A548-L634 HydrophobicContact CB-CD2 4.26Å |
| 549 | V | 88.4 | Confident | 77 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 175.9 | -177 | 0 | 0 | 0 | 0 | 111.5 | C542 I543 N546 R547 G553 A633 | C542-V549 HydrophobicContact CB-CG1 4.39Å; I543-V549 HydrophobicContact CG1-CG1 3.8Å; N546-V549 HydrophobicContact CB-CB 4.08Å; N546-V549 HydrophobicContact CB-CG2 3.89Å; N546-V549 PolarHBondContact O-N 3.15Å; R547-V549 VanDerWaalsContact C-N 3.34Å; R547-V549 PolarHBondContact O-N 3.32Å; V549-G553 WeakPolarHBondContact O-CA 3.31Å; V549-G553 PolarHBondContact O-N 2.85Å; V549-A633 HydrophobicContact CG2-CB 3.95Å |
| 550 | R | 88.2 | Confident | 79 | Confident | 134 Ų | 134 | 57 Ų | 57 | 51% | 0.506 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.4 | -45.5 | 178 | -172.9 | -166.2 | 66.7 | -151.5 | -6 | 112.6 | N546 R547 | N546-R550 WeakPolarHBondContact O-CB 3.34Å; N546-R550 PolarHBondContact O-N 3.01Å; R547-R550 PolarHBondContact O-N 3.15Å |
| 551 | D | 87.6 | Confident | 81 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -84.4 | -27.7 | -169.5 | -62.8 | -6.2 | 0 | 0 | 0 | 112.2 | R547 | R547-D551 WeakPolarHBondContact CG-OD2 3.37Å; R547-D551 IonicContact NE-OD2 2.68Å; R547-D551 PolarHBondContact NE-OD2 3.45Å; R547-D551 VanDerWaalsContact O-CB 3.29Å; R547-D551 WeakPolarHBondContact O-CB 3.09Å; R547-D551 PolarHBondContact O-N 3.22Å |
| 552 | L | 89.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -115.9 | -25.6 | -178.3 | -58.5 | 171.1 | 0 | 0 | 0 | 113.9 | A548 P554 V555 I556 L561 L569 P571 Y626 L634 | A548-L552 VanDerWaalsContact O-CB 3.27Å; A548-L552 WeakPolarHBondContact O-CB 3.29Å; A548-L552 PolarHBondContact O-N 2.72Å; L552-P554 VanDerWaalsContact C-CD 3.48Å; L552-V555 WeakPolarHBondContact O-CA 3.41Å; L552-V555 PolarHBondContact O-N 3.33Å; L552-I556 WeakPolarHBondContact O-CG2 3.49Å; L552-I556 PolarHBondContact O-N 2.77Å; L552-L561 HydrophobicContact CB-CD2 4.44Å; L552-L561 HydrophobicContact CD2-CD2 4.1Å; L552-L569 HydrophobicContact CD1-CD2 3.36Å; L552-P571 HydrophobicContact CD2-CG 3.75Å; L552-Y626 HydrophobicContact CD1-CD2 4.49Å; L552-Y626 HydrophobicContact CD1-CE2 3.66Å; L552-L634 HydrophobicContact CB-CD1 4.17Å; L552-L634 HydrophobicContact CB-CD2 4.35Å; L552-L634 HydrophobicContact CD1-CD2 3.66Å |
| 553 | G | 85.5 | Confident | 84.6 | Confident | 12 Ų | 12 | 53.8 Ų | 53.8 | 12% | 0.124 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -40 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | V549 V555 I556 | V549-G553 WeakPolarHBondContact O-CA 3.31Å; V549-G553 PolarHBondContact O-N 2.85Å; G553-V555 PolarHBondContact O-N 3.21Å; G553-V555 VanDerWaalsContact O-N 3.14Å; G553-I556 WeakPolarHBondContact O-CG1 3.16Å |
| 554 | P | 87.8 | Confident | 85.9 | Confident | 96 Ų | 96 | 51.3 Ų | 51.3 | 62% | 0.623 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -16.7 | 174.1 | -25 | 35.9 | 0 | 0 | 0 | 114.7 | L552 | L552-P554 VanDerWaalsContact C-CD 3.48Š|
| 555 | V | 89.2 | Confident | 86.9 | Confident | 40 Ų | 40 | 53.8 Ų | 53.8 | 24% | 0.242 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -21.8 | -174.5 | -166.2 | 0 | 0 | 0 | 0 | 113.3 | L552 G553 S557 T558 G559 P571 | L552-V555 WeakPolarHBondContact O-CA 3.41Å; L552-V555 PolarHBondContact O-N 3.33Å; G553-V555 PolarHBondContact O-N 3.21Å; G553-V555 VanDerWaalsContact O-N 3.14Å; V555-S557 PolarHBondContact O-N 3.18Å; V555-T558 WeakPolarHBondContact CA-OG1 3.38Å; V555-T558 PolarHBondContact O-N 3.26Å; V555-T558 PolarHBondContact O-OG1 3.24Å; V555-G559 PolarHBondContact O-N 2.81Å; V555-P571 HydrophobicContact CG1-CB 4.19Å |
| 556 | I | 89.5 | Confident | 87.4 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -21.7 | -171.9 | 69.1 | -172.2 | 0 | 0 | 0 | 115.3 | L248 N251 L552 G553 L561 L634 C637 V638 | L248-I556 HydrophobicContact CD2-CB 4.41Å; L248-I556 HydrophobicContact CD2-CG1 4.06Å; L248-I556 VanDerWaalsContact CD2-O 3.31Å; L248-I556 WeakPolarHBondContact CD2-O 3.48Å; N251-I556 PolarHBondContact ND2-O 3.38Å; L552-I556 WeakPolarHBondContact O-CG2 3.49Å; L552-I556 PolarHBondContact O-N 2.77Å; G553-I556 WeakPolarHBondContact O-CG1 3.16Å; I556-L561 HydrophobicContact CG2-CD1 4.23Å; I556-L634 HydrophobicContact CG2-CD1 3.84Å; I556-C637 HydrophobicContact CD1-CB 4.42Å; I556-V638 HydrophobicContact CB-CG2 4.11Å; I556-V638 HydrophobicContact CD1-CG2 3.81Å; I556-V638 HydrophobicContact CG1-CG2 4.41Å; I556-V638 HydrophobicContact CG2-CG2 4.14Å |
| 557 | S | 84.6 | Confident | 87 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 11% | 0.105 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -6 | 174.5 | 61.1 | 0 | 0 | 0 | 0 | 114.3 | R244 V555 E641 | R244-S557 WeakPolarHBondContact CD-O 3.16Å; R244-S557 VanDerWaalsContact CZ-O 3.29Å; R244-S557 PolarHBondContact NE-O 2.88Å; R244-S557 PolarHBondContact NH1-O 3.05Å; V555-S557 PolarHBondContact O-N 3.18Å; S557-E641 WeakPolarHBondContact CB-OE2 3.48Å; S557-E641 PolarHBondContact OG-OE2 2.78Å |
| 558 | T | 88.3 | Confident | 86.7 | Confident | 79 Ų | 79 | 46.8 Ų | 46.8 | 49% | 0.485 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -36.2 | -178.8 | 50.2 | 0 | 0 | 0 | 0 | 113.4 | V555 | V555-T558 WeakPolarHBondContact CA-OG1 3.38Å; V555-T558 PolarHBondContact O-N 3.26Å; V555-T558 PolarHBondContact O-OG1 3.24Å |
| 559 | G | 88.9 | Confident | 86.7 | Confident | 9 Ų | 9 | 47 Ų | 47 | 9% | 0.093 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -133 | 167 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V247 N251 V555 | V247-G559 WeakPolarHBondContact CG1-O 3.35Å; N251-G559 PolarHBondContact ND2-O 3.5Å; V555-G559 PolarHBondContact O-N 2.81Å |
| 560 | L | 92.1 | Very high | 86.6 | Confident | 63 Ų | 63 | 48.9 Ų | 48.9 | 33% | 0.33 | 27% | 0.27 | S | S | . | . | trans | -83.1 | 145.8 | 176.4 | -66 | 175.7 | 0 | 0 | 0 | 111 | V247 V250 N251 L572 | V247-L560 HydrophobicContact CG1-CD2 4.31Å; V250-L560 HydrophobicContact CB-CD2 3.95Å; V250-L560 HydrophobicContact CG1-CD2 3.79Å; N251-L560 WeakPolarHBondContact OD1-CA 3.4Å; L560-L572 HydrophobicContact CB-CB 4.39Å; L560-L572 HydrophobicContact CB-CD2 4.39Å; L560-L572 VanDerWaalsContact O-CB 3.3Å; L560-L572 WeakPolarHBondContact O-CB 3.22Å; L560-L572 PolarHBondContact O-N 3.3Å | ||
| 561 | L | 90.9 | Very high | 86.4 | Confident | 9 Ų | 9 | 44.7 Ų | 44.7 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 134.4 | 170.1 | -60.6 | 172.4 | 0 | 0 | 0 | 109 | N251 T254 V255 L552 I556 L569 | N251-L561 HydrophobicContact CB-CD1 3.81Å; N251-L561 HydrophobicContact CB-CG 4.17Å; N251-L561 PolarHBondContact OD1-N 3.29Å; T254-L561 HydrophobicContact CG2-CB 4.17Å; T254-L561 WeakPolarHBondContact CG2-O 3.4Å; T254-L561 PolarHBondContact OG1-O 3.15Å; V255-L561 HydrophobicContact CG2-CD1 3.82Å; L552-L561 HydrophobicContact CB-CD2 4.44Å; L552-L561 HydrophobicContact CD2-CD2 4.1Å; I556-L561 HydrophobicContact CG2-CD1 4.23Å; L561-L569 HydrophobicContact CB-CD2 4.18Å; L561-L569 HydrophobicContact CD1-CD2 4.15Å; L561-L569 HydrophobicContact CD2-CD2 4.15Å; L561-L569 HydrophobicContact CG-CD2 4.38Å |
| 562 | H | 89.9 | Confident | 86.1 | Confident | 89 Ų | 89 | 46.6 Ų | 46.6 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 137 | 174.7 | -177.1 | -85.2 | 0 | 0 | 0 | 109.9 | L569 S570 L572 | H562-L569 WeakPolarHBondContact O-CA 3.35Å; H562-S570 PolarHBondContact N-O 3.21Å; H562-S570 PolarHBondContact O-N 2.95Å; H562-L572 HydrophobicContact CB-CB 4.26Å; H562-L572 HydrophobicContact CB-CD1 4.29Å |
| 563 | L | 89.8 | Confident | 84.7 | Confident | 28 Ų | 28 | 50.6 Ų | 50.6 | 15% | 0.147 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 112.2 | 172.2 | 178.1 | 56.7 | 0 | 0 | 0 | 108.3 | T254 E257 A258 L569 | T254-L563 HydrophobicContact CG2-CB 3.75Å; E257-L563 HydrophobicContact CB-CD2 3.88Å; A258-L563 HydrophobicContact CB-CD1 3.79Å; A258-L563 HydrophobicContact CB-CD2 3.96Å; A258-L563 HydrophobicContact CB-CG 4.49Å; L563-L569 HydrophobicContact CD1-CB 4.31Å |
| 564 | A | 86.4 | Confident | 82.9 | Confident | 29 Ų | 29 | 56.5 Ų | 56.5 | 24% | 0.24 | 33% | 0.331 | C | S | . | . | trans | -75.7 | 160.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D566 G567 V568 | A564-D566 VanDerWaalsContact CB-OD1 3.27Å; A564-D566 WeakPolarHBondContact CB-OD1 3.45Å; A564-D566 PolarHBondContact O-N 3Å; A564-G567 WeakPolarHBondContact O-CA 3.48Å; A564-G567 PolarHBondContact O-N 3.12Å; A564-V568 PolarHBondContact N-O 2.96Å | ||
| 565 | E | 80.2 | Confident | 80.2 | Confident | 206 Ų | 206 | 58 Ų | 58 | 96% | 0.963 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.2 | -177.2 | -61.1 | -173.9 | 159 | 0 | 0 | 113.6 | G567 | E565-G567 VanDerWaalsContact C-N 3.25Å; E565-G567 PolarHBondContact O-N 3.24Å |
| 566 | D | 77.2 | Confident | 77.3 | Confident | 89 Ų | 89 | 65 Ų | 65 | 48% | 0.476 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -7.7 | 172.8 | 65.9 | -2.8 | 0 | 0 | 0 | 113.2 | A564 V568 K625 | A564-D566 VanDerWaalsContact CB-OD1 3.27Å; A564-D566 WeakPolarHBondContact CB-OD1 3.45Å; A564-D566 PolarHBondContact O-N 3Å; D566-V568 WeakPolarHBondContact OD1-CB 3.4Å; D566-V568 WeakPolarHBondContact OD1-CG2 3.36Å; D566-V568 PolarHBondContact OD1-N 3.08Å; D566-V568 WeakPolarHBondContact OD2-CG2 3.44Å; D566-K625 WeakPolarHBondContact O-CE 3.4Å; D566-K625 PolarHBondContact O-NZ 2.74Å |
| 567 | G | 76.9 | Confident | 74.5 | Confident | 19 Ų | 19 | 68.9 Ų | 68.9 | 20% | 0.196 | 41% | 0.408 | C | S | . | . | S | Bend | trans | 84.8 | 11.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A564 E565 | A564-G567 WeakPolarHBondContact O-CA 3.48Å; A564-G567 PolarHBondContact O-N 3.12Å; E565-G567 VanDerWaalsContact C-N 3.25Å; E565-G567 PolarHBondContact O-N 3.24Å |
| 568 | V | 83.9 | Confident | 71.8 | Confident | 21 Ų | 21 | 71.5 Ų | 71.5 | 13% | 0.127 | 44% | 0.437 | C | S | . | . | trans | -79.1 | 130.6 | 169.2 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | A564 D566 G623 K625 | A564-V568 PolarHBondContact N-O 2.96Å; D566-V568 WeakPolarHBondContact OD1-CB 3.4Å; D566-V568 WeakPolarHBondContact OD1-CG2 3.36Å; D566-V568 PolarHBondContact OD1-N 3.08Å; D566-V568 WeakPolarHBondContact OD2-CG2 3.44Å; V568-G623 VanDerWaalsContact CG2-O 3.29Å; V568-G623 WeakPolarHBondContact CG2-O 3.49Å; V568-K625 HydrophobicContact CG2-CG 4.18Å | ||
| 569 | L | 86.4 | Confident | 69.1 | Low | 4 Ų | 4 | 77.7 Ų | 77.7 | 2% | 0.021 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.1 | 179.1 | -171.8 | 147.9 | 0 | 0 | 0 | 109.8 | T254 V255 A258 L552 L561 H562 L563 Y626 | T254-L569 HydrophobicContact CG2-CD1 3.87Å; V255-L569 HydrophobicContact CG2-CD1 4.09Å; A258-L569 HydrophobicContact CB-CD1 3.68Å; L552-L569 HydrophobicContact CD1-CD2 3.36Å; L561-L569 HydrophobicContact CB-CD2 4.18Å; L561-L569 HydrophobicContact CD1-CD2 4.15Å; L561-L569 HydrophobicContact CD2-CD2 4.15Å; L561-L569 HydrophobicContact CG-CD2 4.38Å; H562-L569 WeakPolarHBondContact O-CA 3.35Å; L563-L569 HydrophobicContact CD1-CB 4.31Å; L569-Y626 HydrophobicContact CB-CE2 4.44Å; L569-Y626 WeakPolarHBondContact O-CE2 3.39Å |
| 570 | S | 85.4 | Confident | 66.2 | Low | 45 Ų | 45 | 81.2 Ų | 81.2 | 32% | 0.315 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 159.3 | -173 | 59 | 0 | 0 | 0 | 0 | 111.9 | H562 L572 | H562-S570 PolarHBondContact N-O 3.21Å; H562-S570 PolarHBondContact O-N 2.95Å; S570-L572 PolarHBondContact O-N 2.96Å |
| 571 | P | 85.4 | Confident | 63.2 | Low | 46 Ų | 46 | 83.7 Ų | 83.7 | 30% | 0.299 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 129.5 | 167.7 | -18.6 | 33 | 0 | 0 | 0 | 110.1 | L552 V555 A573 | L552-P571 HydrophobicContact CD2-CG 3.75Å; V555-P571 HydrophobicContact CG1-CB 4.19Å; P571-A573 PolarHBondContact O-N 2.88Å; P571-A573 VanDerWaalsContact O-N 3.14Å |
| 572 | L | 81.2 | Confident | 60.5 | Low | 79 Ų | 79 | 88.5 Ų | 88.5 | 41% | 0.414 | 55% | 0.551 | S | S | . | * | trans | -68.8 | 110.9 | 169.9 | -175.3 | 65.2 | 0 | 0 | 0 | 108.5 | L560 H562 S570 L574 | L560-L572 HydrophobicContact CB-CB 4.39Å; L560-L572 HydrophobicContact CB-CD2 4.39Å; L560-L572 VanDerWaalsContact O-CB 3.3Å; L560-L572 WeakPolarHBondContact O-CB 3.22Å; L560-L572 PolarHBondContact O-N 3.3Å; H562-L572 HydrophobicContact CB-CB 4.26Å; H562-L572 HydrophobicContact CB-CD1 4.29Å; S570-L572 PolarHBondContact O-N 2.96Å; L572-L574 PolarHBondContact O-N 3.35Å | ||
| 573 | A | 60.4 | Low | 57.6 | Low | 84 Ų | 84 | 90.4 Ų | 90.4 | 69% | 0.694 | 57% | 0.571 | S | S | * | * | trans | -66.2 | 98.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | P571 T575 | P571-A573 PolarHBondContact O-N 2.88Å; P571-A573 VanDerWaalsContact O-N 3.14Å; A573-T575 VanDerWaalsContact C-N 3.27Å; A573-T575 PolarHBondContact O-N 3.49Å | ||
| 574 | L | 45.9 | Very low | 54.9 | Low | 136 Ų | 136 | 94.7 Ų | 94.7 | 71% | 0.712 | 60% | 0.603 | S | S | * | * | trans | -66.2 | 89.7 | 165.7 | -74.3 | 171.4 | 0 | 0 | 0 | 108.6 | L572 E576 | L572-L574 PolarHBondContact O-N 3.35Å; L574-E576 PolarHBondContact O-N 3.49Å; L574-E576 VanDerWaalsContact O-N 3.1Å | ||
| 575 | T | 31.1 | Very low | 52.6 | Low | 128 Ų | 128 | 99.9 Ų | 99.9 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | trans | -61.7 | 108.8 | 162.2 | 52.9 | 0 | 0 | 0 | 0 | 107.6 | A573 G577 | A573-T575 VanDerWaalsContact C-N 3.27Å; A573-T575 PolarHBondContact O-N 3.49Å; T575-G577 PolarHBondContact O-N 3.44Å | ||
| 576 | E | 29.7 | Very low | 50.2 | Low | 187 Ų | 187 | 101.8 Ų | 101.8 | 87% | 0.874 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 136.2 | 174.5 | -70.2 | -161.2 | 136.6 | 0 | 0 | 110 | L574 G578 | L574-E576 PolarHBondContact O-N 3.49Å; L574-E576 VanDerWaalsContact O-N 3.1Å; E576-G578 PolarHBondContact O-N 3.25Å; E576-G578 VanDerWaalsContact O-N 3.11Å |
| 577 | G | 29.4 | Very low | 48.2 | Very low | 81 Ų | 81 | 103.2 Ų | 103.2 | 84% | 0.835 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 117.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T575 | T575-G577 PolarHBondContact O-N 3.44Š|
| 578 | G | 28.5 | Very low | 46.2 | Very low | 70 Ų | 70 | 107.2 Ų | 107.2 | 72% | 0.722 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 144.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | E576 G580 | E576-G578 PolarHBondContact O-N 3.25Å; E576-G578 VanDerWaalsContact O-N 3.11Å; G578-G580 PolarHBondContact O-N 2.89Å |
| 579 | K | 31 | Very low | 44 | Very low | 210 Ų | 210 | 115.6 Ų | 115.6 | 91% | 0.913 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 126.2 | 171.4 | -67.5 | 177.9 | 179.2 | 176.5 | 0 | 109.4 | S581 | K579-S581 PolarHBondContact O-N 2.6Š|
| 580 | G | 27.6 | Very low | 41.4 | Very low | 83 Ų | 83 | 119.3 Ų | 119.3 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | trans | -61.5 | 106.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G578 | G578-G580 PolarHBondContact O-N 2.89Š| ||
| 581 | S | 30.7 | Very low | 38.9 | Very low | 115 Ų | 115 | 122.6 Ų | 122.6 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -91.5 | 105.8 | 167.6 | 57.7 | 0 | 0 | 0 | 0 | 109.8 | K579 | K579-S581 PolarHBondContact O-N 2.6Š| ||
| 582 | S | 32.7 | Very low | 36.5 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -59 | 138.1 | -179.7 | -55.6 | 0 | 0 | 0 | 0 | 112.5 | S584 | S582-S584 PolarHBondContact O-N 2.8Š| ||
| 583 | P | 30.7 | Very low | 34.2 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -76.5 | 103.4 | 176.7 | 30.5 | -33.3 | 0 | 0 | 0 | 110.8 | ||||
| 584 | S | 32.7 | Very low | 32.9 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 131 | 171.9 | 49.9 | 0 | 0 | 0 | 0 | 111.5 | S582 | S582-S584 PolarHBondContact O-N 2.8Š|
| 585 | T | 38.2 | Very low | 32.4 | Very low | 138 Ų | 138 | 130 Ų | 130 | 85% | 0.847 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 142.2 | -170.4 | -50.8 | 0 | 0 | 0 | 0 | 113.1 | S587 | T585-S587 PolarHBondContact O-N 3.41Š|
| 586 | R | 28.5 | Very low | 32.6 | Very low | 247 Ų | 247 | 126.9 Ų | 126.9 | 93% | 0.932 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 117.3 | 178.6 | -165.7 | -174.6 | -160.8 | 179.7 | 6.2 | 111.7 | ||
| 587 | S | 36.6 | Very low | 33 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -137.3 | 161.3 | 162.5 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | T585 | T585-S587 PolarHBondContact O-N 3.41Š| ||
| 588 | S | 35.2 | Very low | 33.4 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | trans | -128.3 | 152 | -151.7 | 56.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 589 | Q | 35.8 | Very low | 33.7 | Very low | 198 Ų | 198 | 132.2 Ų | 132.2 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | 71.3 | 139.9 | 162.3 | -63.3 | 171.8 | -14 | 0 | 0 | 117.8 | ||||
| 590 | G | 33.1 | Very low | 34 | Very low | 82 Ų | 82 | 129.7 Ų | 129.7 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 153.4 | 135.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 591 | S | 32.3 | Very low | 34.3 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -141.5 | 156.3 | -165.9 | -155.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 592 | Q | 35.6 | Very low | 34.5 | Very low | 192 Ų | 192 | 133.7 Ų | 133.7 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | 77.2 | 148.1 | 162.6 | -62.4 | 174.3 | -8.5 | 0 | 0 | 120.9 | ||||
| 593 | G | 32.3 | Very low | 34.9 | Very low | 73 Ų | 73 | 134.8 Ų | 134.8 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 105.3 | 106.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 594 | S | 34.4 | Very low | 34.8 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | 71.1 | 129.6 | 56.2 | -154.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 595 | S | 34.5 | Very low | 35.1 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | cis | -173.9 | 163 | 2.8 | 30.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 596 | G | 36.2 | Very low | 34.8 | Very low | 64 Ų | 64 | 136.3 Ų | 136.3 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | trans | 128.6 | 117.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 597 | L | 36.5 | Very low | 35.1 | Very low | 158 Ų | 158 | 133.7 Ų | 133.7 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | 70.3 | 130.7 | 63.7 | -62.9 | 173.5 | 0 | 0 | 0 | 111.7 | |||||
| 598 | E | 37.6 | Very low | 35.1 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | cis | -162.7 | 167.2 | 16.4 | -107.6 | 152.7 | -131.6 | 0 | 0 | 108.3 | ||||
| 599 | E | 34.7 | Very low | 35.2 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 62% | 0.617 | 79% | 0.786 | S | S | * | * | cis | -170.5 | 173.5 | -8.7 | -160.3 | -154.1 | 162.7 | 0 | 0 | 108.7 | ||||
| 600 | K | 39.2 | Very low | 35.1 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | trans | 67.8 | 125.1 | 161.6 | -72.6 | 166 | 177.7 | 131.3 | 0 | 119.4 | ||||
| 601 | E | 33.1 | Very low | 35.5 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | cis | 75.8 | 141.7 | 21 | -130 | -159.8 | 171.9 | 0 | 0 | 113.9 | ||||
| 602 | V | 34.6 | Very low | 35.6 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | cis | -148.4 | 162.4 | 13.3 | -154.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 603 | V | 40.5 | Very low | 35.2 | Very low | 133 Ų | 133 | 137 Ų | 137 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | 154 | 126.8 | 127 | 166.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 604 | E | 28.8 | Very low | 35.4 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -130.6 | 139.3 | 178.8 | 171.3 | -175.4 | -137.1 | 0 | 0 | 109 | ||||
| 605 | V | 39.3 | Very low | 35.1 | Very low | 138 Ų | 138 | 143.1 Ų | 143.1 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | -144.7 | 132.1 | 161.2 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 606 | T | 32.1 | Very low | 35 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | trans | -102.4 | 149.3 | 176.5 | 42.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 607 | E | 35.3 | Very low | 34.6 | Very low | 192 Ų | 192 | 150 Ų | 150 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | -174.5 | 156.1 | 120.5 | -102.9 | -171.9 | 164.1 | 0 | 0 | 113.8 | |||||
| 608 | S | 35.6 | Very low | 34.4 | Very low | 108 Ų | 108 | 148 Ų | 148 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -75.4 | 153.6 | -167.2 | 46.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 609 | R | 37.5 | Very low | 33.9 | Very low | 236 Ų | 236 | 148.1 Ų | 148.1 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | -160.9 | 155.5 | 124.4 | -144.5 | 160.8 | 179.2 | 173.8 | 0.2 | 116 | |||||
| 610 | D | 35.2 | Very low | 33.9 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -68 | 146.1 | -167.8 | -37.4 | -94.1 | 0 | 0 | 0 | 117.4 | ||||
| 611 | K | 40.2 | Very low | 34.2 | Very low | 207 Ų | 207 | 145.9 Ų | 145.9 | 90% | 0.9 | 78% | 0.784 | S | S | * | * | -166.8 | 157.7 | 114.4 | -105 | 171 | -178.4 | 179.5 | 0 | 112.8 | |||||
| 612 | P | 33.9 | Very low | 34.6 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | -109.2 | 153.5 | -156.6 | 39.4 | -34.6 | 0 | 0 | 0 | 116.9 | ||||
| 613 | G | 28.5 | Very low | 35.7 | Very low | 70 Ų | 70 | 138.6 Ų | 138.6 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | 98.7 | 95.2 | 123.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 614 | L | 35.8 | Very low | 37.1 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | -153.6 | 51.7 | 142.4 | -152.1 | 75.6 | 0 | 0 | 0 | 114.1 | R616 | L614-R616 PolarHBondContact O-N 3.31Š| ||
| 615 | N | 27.4 | Very low | 39.7 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 89% | 0.893 | 74% | 0.737 | S | S | * | * | trans | -68.3 | 96.7 | 168.2 | -80.4 | 10.3 | 0 | 0 | 0 | 110 | S617 | N615-S617 PolarHBondContact O-N 3.28Š| ||
| 616 | R | 32.2 | Very low | 41.9 | Very low | 227 Ų | 227 | 129.2 Ų | 129.2 | 86% | 0.857 | 70% | 0.702 | S | S | * | * | trans | -74.8 | 100.2 | 160.1 | -80.6 | -171.8 | 171 | -170.9 | -2.2 | 108.4 | L614 S618 | L614-R616 PolarHBondContact O-N 3.31Å; R616-S618 PolarHBondContact O-N 3.41Å; R616-S618 VanDerWaalsContact O-N 3.17Å | ||
| 617 | S | 29.2 | Very low | 44.6 | Very low | 96 Ų | 96 | 126.2 Ų | 126.2 | 67% | 0.671 | 69% | 0.685 | S | S | * | * | trans | -61.4 | 111.6 | 169.4 | 45.5 | 0 | 0 | 0 | 0 | 110.2 | N615 E619 | N615-S617 PolarHBondContact O-N 3.28Å; S617-E619 PolarHBondContact O-N 2.95Å | ||
| 618 | S | 31.1 | Very low | 47 | Very low | 118 Ų | 118 | 119 Ų | 119 | 83% | 0.825 | 65% | 0.654 | S | S | * | * | trans | -74.3 | 77.9 | 161.5 | 56.5 | 0 | 0 | 0 | 0 | 108.5 | R616 | R616-S618 PolarHBondContact O-N 3.41Å; R616-S618 VanDerWaalsContact O-N 3.17Å | ||
| 619 | E | 28.6 | Very low | 49.5 | Very low | 161 Ų | 161 | 119.9 Ų | 119.9 | 75% | 0.752 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 139.3 | 166.9 | -69.7 | -170.6 | 120.4 | 0 | 0 | 109.1 | S617 L621 | S617-E619 PolarHBondContact O-N 2.95Å; E619-L621 PolarHBondContact O-N 3.23Å |
| 620 | P | 34.3 | Very low | 52 | Low | 121 Ų | 121 | 110.6 Ų | 110.6 | 79% | 0.786 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 133.5 | 169 | 28.5 | -33.1 | 0 | 0 | 0 | 108.4 | S622 | P620-S622 PolarHBondContact O-N 3.08Š|
| 621 | L | 45.8 | Very low | 54.7 | Low | 121 Ų | 121 | 104.6 Ų | 104.6 | 63% | 0.634 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 117.3 | 178 | -72.7 | 166.1 | 0 | 0 | 0 | 109.7 | E619 G623 | E619-L621 PolarHBondContact O-N 3.23Å; L621-G623 PolarHBondContact O-N 3.22Å |
| 622 | S | 40.2 | Very low | 57.1 | Low | 72 Ų | 72 | 95.8 Ų | 95.8 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 134.9 | 174.5 | 48.4 | 0 | 0 | 0 | 0 | 109.4 | P620 E624 | P620-S622 PolarHBondContact O-N 3.08Å; S622-E624 PolarHBondContact O-N 2.98Å |
| 623 | G | 59.2 | Low | 59.8 | Low | 57 Ų | 57 | 90.8 Ų | 90.8 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | trans | -71.5 | 51.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V568 L621 | V568-G623 VanDerWaalsContact CG2-O 3.29Å; V568-G623 WeakPolarHBondContact CG2-O 3.49Å; L621-G623 PolarHBondContact O-N 3.22Å | ||
| 624 | E | 69.3 | Low | 62.8 | Low | 106 Ų | 106 | 87.4 Ų | 87.4 | 50% | 0.495 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 133.8 | 175.3 | -65.6 | 179.6 | 151.4 | 0 | 0 | 110.1 | R547 S622 | R547-E624 IonicContact CZ-OE2 3.46Å; R547-E624 VanDerWaalsContact CZ-OE2 3.23Å; R547-E624 IonicContact NH1-OE2 2.89Å; R547-E624 PolarHBondContact NH1-OE2 2.7Å; R547-E624 IonicContact NH2-OE2 3.23Å; R547-E624 PolarHBondContact NH2-OE2 2.99Å; S622-E624 PolarHBondContact O-N 2.98Å |
| 625 | K | 82.5 | Confident | 65.5 | Low | 117 Ų | 117 | 80 Ų | 80 | 51% | 0.509 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 131.5 | 178.7 | -49.8 | -174 | -164.6 | -168 | 0 | 109.6 | D566 V568 | D566-K625 WeakPolarHBondContact O-CE 3.4Å; D566-K625 PolarHBondContact O-NZ 2.74Å; V568-K625 HydrophobicContact CG2-CG 4.18Å |
| 626 | Y | 87.1 | Confident | 68.5 | Low | 21 Ų | 21 | 77.9 Ų | 77.9 | 8% | 0.082 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 143.8 | 171.8 | -58 | -73.4 | 0 | 0 | 0 | 110.9 | L262 R547 A548 L552 L569 L631 | L262-Y626 VanDerWaalsContact CD2-O 3.3Å; L262-Y626 WeakPolarHBondContact CD2-O 3.42Å; R547-Y626 HydrophobicContact CG-CD1 4.35Å; R547-Y626 HydrophobicContact CG-CE1 4Å; A548-Y626 HydrophobicContact CB-CD1 3.69Å; A548-Y626 HydrophobicContact CB-CE1 3.97Å; A548-Y626 HydrophobicContact CB-CG 4.04Å; L552-Y626 HydrophobicContact CD1-CD2 4.49Å; L552-Y626 HydrophobicContact CD1-CE2 3.66Å; L569-Y626 HydrophobicContact CB-CE2 4.44Å; L569-Y626 WeakPolarHBondContact O-CE2 3.39Å; Y626-L631 HydrophobicContact CD2-CD2 4.1Å; Y626-L631 HydrophobicContact CG-CD2 4.33Å |
| 627 | S | 86.9 | Confident | 71.4 | Confident | 45 Ų | 45 | 67.9 Ų | 67.9 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 161.8 | 174 | 70 | 0 | 0 | 0 | 0 | 111.8 | K629 E630 L631 | S627-K629 PolarHBondContact O-N 3.5Å; S627-K629 VanDerWaalsContact O-N 3.13Å; S627-E630 WeakPolarHBondContact CB-OE2 3.38Å; S627-E630 PolarHBondContact N-OE2 2.69Å; S627-E630 PolarHBondContact O-N 2.99Å; S627-E630 VanDerWaalsContact OG-CD 3.32Å; S627-E630 WeakPolarHBondContact OG-CG 3.18Å; S627-E630 PolarHBondContact OG-N 3.13Å; S627-E630 PolarHBondContact OG-OE2 3.23Å; S627-L631 PolarHBondContact O-N 3.3Å |
| 628 | P | 87.1 | Confident | 74.4 | Confident | 39 Ų | 39 | 63.3 Ų | 63.3 | 25% | 0.253 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.4 | -29.3 | 176.2 | -22.8 | 33.1 | 0 | 0 | 0 | 113.1 | L259 L262 L451 L632 | L259-P628 HydrophobicContact CD1-CB 4.05Å; L262-P628 HydrophobicContact CD2-CB 4.42Å; L262-P628 HydrophobicContact CD2-CG 3.7Å; L262-P628 HydrophobicContact CG-CG 4.22Å; L451-P628 HydrophobicContact CD1-CB 4.07Å; L451-P628 HydrophobicContact CD2-CB 3.77Å; L451-P628 HydrophobicContact CD2-CG 4.4Å; P628-L632 WeakPolarHBondContact O-CB 3.29Å; P628-L632 PolarHBondContact O-N 3.25Å |
| 629 | K | 87.9 | Confident | 77.3 | Confident | 128 Ų | 128 | 59.7 Ų | 59.7 | 56% | 0.557 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -71.5 | -30.8 | 176.7 | -66.5 | -174.2 | 177.6 | -176.3 | 0 | 112.7 | S627 A633 | S627-K629 PolarHBondContact O-N 3.5Å; S627-K629 VanDerWaalsContact O-N 3.13Å; K629-A633 WeakPolarHBondContact O-CB 3.34Å; K629-A633 PolarHBondContact O-N 2.85Å |
| 630 | E | 90.2 | Very high | 80.4 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 19% | 0.192 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -79.9 | -44.2 | 177.4 | -70.4 | 159 | 131.4 | 0 | 0 | 111.2 | N546 R547 A548 S627 L632 A633 L634 | N546-E630 WeakPolarHBondContact OD1-CA 3.32Å; R547-E630 HydrophobicContact CB-CG 4.49Å; R547-E630 WeakPolarHBondContact CB-OE1 3.32Å; A548-E630 HydrophobicContact CB-CB 3.87Å; S627-E630 WeakPolarHBondContact CB-OE2 3.38Å; S627-E630 PolarHBondContact N-OE2 2.69Å; S627-E630 PolarHBondContact O-N 2.99Å; S627-E630 VanDerWaalsContact OG-CD 3.32Å; S627-E630 WeakPolarHBondContact OG-CG 3.18Å; S627-E630 PolarHBondContact OG-N 3.13Å; S627-E630 PolarHBondContact OG-OE2 3.23Å; E630-L632 VanDerWaalsContact C-N 3.33Å; E630-L632 PolarHBondContact O-N 3.26Å; E630-A633 PolarHBondContact O-N 3.29Å; E630-L634 WeakPolarHBondContact O-CB 3.26Å; E630-L634 PolarHBondContact O-N 3.11Å |
| 631 | L | 90.6 | Very high | 83.2 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 172.5 | -66 | 179.1 | 0 | 0 | 0 | 112.2 | A258 L259 L262 Y626 S627 L634 L635 | A258-L631 HydrophobicContact CB-CD1 4.03Å; A258-L631 HydrophobicContact CB-CD2 4.43Å; L259-L631 HydrophobicContact CB-CD1 4.35Å; L259-L631 HydrophobicContact CD1-CB 4.3Å; L259-L631 HydrophobicContact CD1-CD1 4.48Å; L262-L631 HydrophobicContact CD2-CD1 3.96Å; Y626-L631 HydrophobicContact CD2-CD2 4.1Å; Y626-L631 HydrophobicContact CG-CD2 4.33Å; S627-L631 PolarHBondContact O-N 3.3Å; L631-L634 PolarHBondContact O-N 2.69Å; L631-L635 WeakPolarHBondContact O-CB 3.34Å; L631-L635 PolarHBondContact O-N 2.98Å |
| 632 | L | 90.7 | Very high | 85.6 | Confident | 22 Ų | 22 | 43.8 Ų | 43.8 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.9 | -34.3 | 176.7 | -174.9 | 62.9 | 0 | 0 | 0 | 112.7 | I444 T448 L451 P628 E630 K636 | I444-L632 HydrophobicContact CG2-CD1 4.3Å; T448-L632 HydrophobicContact CG2-CD2 4.28Å; L451-L632 HydrophobicContact CD1-CD2 4.33Å; P628-L632 WeakPolarHBondContact O-CB 3.29Å; P628-L632 PolarHBondContact O-N 3.25Å; E630-L632 VanDerWaalsContact C-N 3.33Å; E630-L632 PolarHBondContact O-N 3.26Å; L632-K636 WeakPolarHBondContact O-CG 3.37Å; L632-K636 PolarHBondContact O-N 2.92Å; L632-K636 VanDerWaalsContact O-N 3.13Å |
| 633 | A | 90.7 | Very high | 88.2 | Confident | 17 Ų | 17 | 43.2 Ų | 43.2 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.1 | -43.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N546 V549 K629 E630 L635 K636 C637 | N546-A633 HydrophobicContact CB-CB 4.31Å; N546-A633 VanDerWaalsContact ND2-CB 3.27Å; N546-A633 WeakPolarHBondContact ND2-CB 3.4Å; V549-A633 HydrophobicContact CG2-CB 3.95Å; K629-A633 WeakPolarHBondContact O-CB 3.34Å; K629-A633 PolarHBondContact O-N 2.85Å; E630-A633 PolarHBondContact O-N 3.29Å; A633-L635 VanDerWaalsContact C-N 3.33Å; A633-L635 PolarHBondContact O-N 3.09Å; A633-K636 PolarHBondContact O-N 2.91Å; A633-C637 PolarHBondContact O-N 3.19Å; A633-C637 PolarHBondContact O-SG 3.39Å; A633-C637 VanDerWaalsContact O-SG 3.35Å |
| 634 | L | 91.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.5 | -45 | 173.1 | -177.7 | 66 | 0 | 0 | 0 | 111.4 | V255 A548 L552 I556 E630 L631 K636 C637 V638 | V255-L634 HydrophobicContact CG1-CD2 4.39Å; V255-L634 HydrophobicContact CG2-CD2 3.65Å; V255-L634 HydrophobicContact CG2-CG 4.23Å; A548-L634 HydrophobicContact CB-CB 4.01Å; A548-L634 HydrophobicContact CB-CD2 4.26Å; L552-L634 HydrophobicContact CB-CD1 4.17Å; L552-L634 HydrophobicContact CB-CD2 4.35Å; L552-L634 HydrophobicContact CD1-CD2 3.66Å; I556-L634 HydrophobicContact CG2-CD1 3.84Å; E630-L634 WeakPolarHBondContact O-CB 3.26Å; E630-L634 PolarHBondContact O-N 3.11Å; L631-L634 PolarHBondContact O-N 2.69Å; L634-K636 VanDerWaalsContact C-N 3.34Å; L634-K636 PolarHBondContact O-N 3.28Å; L634-C637 WeakPolarHBondContact O-CB 3.41Å; L634-C637 PolarHBondContact O-N 3.27Å; L634-C637 VanDerWaalsContact O-N 3.12Å; L634-V638 WeakPolarHBondContact O-CG2 3.4Å; L634-V638 PolarHBondContact O-N 2.77Å |
| 635 | L | 92.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 177.8 | -175 | 59.2 | 0 | 0 | 0 | 112 | R252 V255 L256 I444 L631 A633 C637 V638 E639 | R252-L635 HydrophobicContact CG-CD1 4.04Å; V255-L635 HydrophobicContact CG1-CB 3.89Å; V255-L635 HydrophobicContact CG1-CD1 4.31Å; L256-L635 HydrophobicContact CD2-CD1 4.49Å; L256-L635 HydrophobicContact CD2-CD2 3.64Å; L256-L635 HydrophobicContact CG-CD1 4.11Å; L256-L635 HydrophobicContact CG-CD2 4.14Å; I444-L635 HydrophobicContact CD1-CD1 4.45Å; I444-L635 HydrophobicContact CD1-CD2 3.81Å; I444-L635 HydrophobicContact CD1-CG 3.8Å; I444-L635 HydrophobicContact CG1-CD2 3.79Å; I444-L635 HydrophobicContact CG1-CG 4.35Å; L631-L635 WeakPolarHBondContact O-CB 3.34Å; L631-L635 PolarHBondContact O-N 2.98Å; A633-L635 VanDerWaalsContact C-N 3.33Å; A633-L635 PolarHBondContact O-N 3.09Å; L635-C637 VanDerWaalsContact C-N 3.34Å; L635-C637 PolarHBondContact O-N 3.02Å; L635-V638 PolarHBondContact O-N 3.35Å; L635-E639 WeakPolarHBondContact O-CG 3.46Å; L635-E639 PolarHBondContact O-N 2.81Å |
| 636 | K | 91.9 | Very high | 91.9 | Very high | 121 Ų | 121 | 40 Ų | 40 | 53% | 0.526 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.4 | -40.2 | 173.3 | -75 | -177.3 | 177.1 | -168.2 | 0 | 112.6 | L632 A633 L634 E639 A640 | L632-K636 WeakPolarHBondContact O-CG 3.37Å; L632-K636 PolarHBondContact O-N 2.92Å; L632-K636 VanDerWaalsContact O-N 3.13Å; A633-K636 PolarHBondContact O-N 2.91Å; L634-K636 VanDerWaalsContact C-N 3.34Å; L634-K636 PolarHBondContact O-N 3.28Å; K636-E639 PolarHBondContact O-N 2.79Å; K636-A640 WeakPolarHBondContact O-CB 3.48Å; K636-A640 PolarHBondContact O-N 3.22Å |
| 637 | C | 91.6 | Very high | 92.3 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.8 | -40 | 174.8 | -65 | 0 | 0 | 0 | 0 | 112.3 | I556 A633 L634 L635 E641 | I556-C637 HydrophobicContact CD1-CB 4.42Å; A633-C637 PolarHBondContact O-N 3.19Å; A633-C637 PolarHBondContact O-SG 3.39Å; A633-C637 VanDerWaalsContact O-SG 3.35Å; L634-C637 WeakPolarHBondContact O-CB 3.41Å; L634-C637 PolarHBondContact O-N 3.27Å; L634-C637 VanDerWaalsContact O-N 3.12Å; L635-C637 VanDerWaalsContact C-N 3.34Å; L635-C637 PolarHBondContact O-N 3.02Å; C637-E641 PolarHBondContact O-N 3.24Å |
| 638 | V | 92.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 175.6 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | L248 R252 I556 L634 L635 A640 E641 I642 | L248-V638 HydrophobicContact CD2-CG1 4.17Å; L248-V638 WeakPolarHBondContact O-CG1 3.46Å; R252-V638 HydrophobicContact CB-CG1 3.79Å; I556-V638 HydrophobicContact CB-CG2 4.11Å; I556-V638 HydrophobicContact CD1-CG2 3.81Å; I556-V638 HydrophobicContact CG1-CG2 4.41Å; I556-V638 HydrophobicContact CG2-CG2 4.14Å; L634-V638 WeakPolarHBondContact O-CG2 3.4Å; L634-V638 PolarHBondContact O-N 2.77Å; L635-V638 PolarHBondContact O-N 3.35Å; V638-A640 PolarHBondContact O-N 2.86Å; V638-E641 PolarHBondContact O-N 2.68Å; V638-I642 HydrophobicContact CG1-CD1 3.96Å; V638-I642 WeakPolarHBondContact O-CG1 3.47Å; V638-I642 PolarHBondContact O-N 2.8Å |
| 639 | E | 93.1 | Very high | 93.2 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 20% | 0.201 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 178.3 | -65.3 | -79.4 | -139.9 | 0 | 0 | 112 | R252 I444 L635 K636 I642 A643 | R252-E639 WeakPolarHBondContact CD-OE2 3.32Å; R252-E639 IonicContact CZ-OE1 3.46Å; R252-E639 VanDerWaalsContact CZ-OE1 3.24Å; R252-E639 IonicContact CZ-OE2 3.24Å; R252-E639 IonicContact NE-OE1 3.33Å; R252-E639 PolarHBondContact NE-OE1 2.85Å; R252-E639 IonicContact NE-OE2 2.74Å; R252-E639 PolarHBondContact NE-OE2 3.4Å; R252-E639 IonicContact NH2-OE1 3.74Å; R252-E639 PolarHBondContact NH2-OE1 2.91Å; R252-E639 IonicContact NH2-OE2 2.73Å; I444-E639 HydrophobicContact CD1-CG 3.54Å; I444-E639 WeakPolarHBondContact CD1-OE1 3.48Å; L635-E639 WeakPolarHBondContact O-CG 3.46Å; L635-E639 PolarHBondContact O-N 2.81Å; K636-E639 PolarHBondContact O-N 2.79Å; E639-I642 PolarHBondContact O-N 3.17Å; E639-A643 PolarHBondContact O-N 2.87Å |
| 640 | A | 93.1 | Very high | 93.7 | Very high | 45 Ų | 45 | 41.1 Ų | 41.1 | 37% | 0.372 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.4 | -38.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K636 V638 N644 | K636-A640 WeakPolarHBondContact O-CB 3.48Å; K636-A640 PolarHBondContact O-N 3.22Å; V638-A640 PolarHBondContact O-N 2.86Å; A640-N644 WeakPolarHBondContact O-CB 3.44Å; A640-N644 PolarHBondContact O-N 2.75Å; A640-N644 VanDerWaalsContact O-N 3.07Å |
| 641 | E | 93 | Very high | 94 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 7% | 0.07 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.7 | -39.5 | 172.6 | -76.3 | -167.9 | -157.6 | 0 | 0 | 112.4 | L248 R539 S557 C637 V638 N644 Y645 | L248-E641 HydrophobicContact CD1-CB 3.92Å; L248-E641 HydrophobicContact CD2-CB 3.86Å; R539-E641 IonicContact CZ-OE1 2.9Å; R539-E641 VanDerWaalsContact NH2-CG 3.33Å; R539-E641 IonicContact NH2-OE1 2.77Å; R539-E641 PolarHBondContact NH2-OE1 3Å; S557-E641 WeakPolarHBondContact CB-OE2 3.48Å; S557-E641 PolarHBondContact OG-OE2 2.78Å; C637-E641 PolarHBondContact O-N 3.24Å; V638-E641 PolarHBondContact O-N 2.68Å; E641-N644 PolarHBondContact O-N 3.24Å; E641-Y645 HydrophobicContact CB-CD2 4.5Å; E641-Y645 WeakPolarHBondContact O-CB 3.28Å; E641-Y645 VanDerWaalsContact O-CD2 3.23Å; E641-Y645 WeakPolarHBondContact O-CD2 3.48Å; E641-Y645 PolarHBondContact O-N 3.2Å |
| 642 | I | 95.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.1 | -53.5 | 173.3 | -70.1 | 168.4 | 0 | 0 | 0 | 110 | L245 L248 K249 R252 V638 E639 N644 Y645 E646 | L245-I642 HydrophobicContact CD2-CB 4.49Å; L245-I642 HydrophobicContact CD2-CG2 4.14Å; L248-I642 HydrophobicContact CB-CD1 4.2Å; L248-I642 HydrophobicContact CB-CG1 3.63Å; L248-I642 HydrophobicContact CD1-CG1 4.39Å; L248-I642 HydrophobicContact CG-CG1 4.48Å; K249-I642 HydrophobicContact CG-CD1 3.96Å; K249-I642 HydrophobicContact CG-CG1 4.43Å; R252-I642 HydrophobicContact CB-CD1 4.14Å; R252-I642 HydrophobicContact CG-CD1 4.35Å; V638-I642 HydrophobicContact CG1-CD1 3.96Å; V638-I642 WeakPolarHBondContact O-CG1 3.47Å; V638-I642 PolarHBondContact O-N 2.8Å; E639-I642 PolarHBondContact O-N 3.17Å; I642-N644 VanDerWaalsContact C-N 3.32Å; I642-N644 PolarHBondContact O-N 3.3Å; I642-Y645 PolarHBondContact O-N 2.72Å; I642-Y645 VanDerWaalsContact O-N 3.12Å; I642-E646 HydrophobicContact CG2-CG 4.16Å; I642-E646 WeakPolarHBondContact O-CB 3.33Å; I642-E646 WeakPolarHBondContact O-CG 3.24Å; I642-E646 PolarHBondContact O-N 2.86Å |
| 643 | A | 96.1 | Very high | 94.5 | Very high | 60 Ų | 60 | 46.3 Ų | 46.3 | 50% | 0.496 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.2 | -43.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E639 E646 A647 | E639-A643 PolarHBondContact O-N 2.87Å; A643-E646 PolarHBondContact O-N 2.68Å; A643-A647 WeakPolarHBondContact O-CB 3.27Å; A643-A647 PolarHBondContact O-N 2.94Å |
| 644 | N | 94.7 | Very high | 94.8 | Very high | 82 Ų | 82 | 51.3 Ų | 51.3 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 175.6 | 171.9 | 84.3 | 0 | 0 | 0 | 112.7 | A640 E641 I642 C648 | A640-N644 WeakPolarHBondContact O-CB 3.44Å; A640-N644 PolarHBondContact O-N 2.75Å; A640-N644 VanDerWaalsContact O-N 3.07Å; E641-N644 PolarHBondContact O-N 3.24Å; I642-N644 VanDerWaalsContact C-N 3.32Å; I642-N644 PolarHBondContact O-N 3.3Å; N644-C648 PolarHBondContact O-N 2.88Å; N644-C648 PolarHBondContact O-SG 2.96Å |
| 645 | Y | 95.1 | Very high | 95 | Very high | 43 Ų | 43 | 54.2 Ų | 54.2 | 17% | 0.169 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -73.6 | -30.6 | 178.7 | -83.1 | -66.5 | 0 | 0 | 0 | 113 | Y241 R244 L248 E641 I642 C648 L649 | Y241-Y645 AromaticContact CD1-CD1 3.54Å; Y241-Y645 HydrophobicContact CD1-CD1 3.54Å; Y241-Y645 AromaticContact CD1-CE1 3.75Å; Y241-Y645 HydrophobicContact CD1-CE1 3.75Å; Y241-Y645 HydrophobicContact CE1-CD1 4.12Å; Y241-Y645 HydrophobicContact CE1-CE1 4.08Å; Y241-Y645 HydrophobicContact CG-CD1 4.34Å; R244-Y645 HydrophobicContact CB-CD1 4.28Å; R244-Y645 HydrophobicContact CB-CE1 4.1Å; R244-Y645 HydrophobicContact CB-CE2 4.35Å; R244-Y645 HydrophobicContact CB-CG 4.48Å; R244-Y645 HydrophobicContact CG-CE1 4.29Å; L248-Y645 HydrophobicContact CD1-CD2 3.4Å; L248-Y645 HydrophobicContact CD1-CE2 3.83Å; L248-Y645 HydrophobicContact CD1-CG 4.38Å; E641-Y645 HydrophobicContact CB-CD2 4.5Å; E641-Y645 WeakPolarHBondContact O-CB 3.28Å; E641-Y645 VanDerWaalsContact O-CD2 3.23Å; E641-Y645 WeakPolarHBondContact O-CD2 3.48Å; E641-Y645 PolarHBondContact O-N 3.2Å; I642-Y645 PolarHBondContact O-N 2.72Å; I642-Y645 VanDerWaalsContact O-N 3.12Å; Y645-C648 PolarHBondContact O-N 3.31Å; Y645-L649 WeakPolarHBondContact O-CB 3.35Å; Y645-L649 PolarHBondContact O-N 3.4Å |
| 646 | E | 97.4 | Very high | 95.2 | Very high | 87 Ų | 87 | 54.6 Ų | 54.6 | 41% | 0.407 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 172.6 | -71.7 | -172.4 | 152.1 | 0 | 0 | 111.5 | L245 K249 I642 A643 L649 K650 | L245-E646 HydrophobicContact CD1-CG 3.84Å; L245-E646 HydrophobicContact CD2-CG 3.59Å; L245-E646 HydrophobicContact CG-CG 4.38Å; K249-E646 VanDerWaalsContact CE-OE1 3.23Å; K249-E646 WeakPolarHBondContact CE-OE1 3.38Å; K249-E646 IonicContact NZ-OE1 3.69Å; K249-E646 PolarHBondContact NZ-OE1 3.42Å; I642-E646 HydrophobicContact CG2-CG 4.16Å; I642-E646 WeakPolarHBondContact O-CB 3.33Å; I642-E646 WeakPolarHBondContact O-CG 3.24Å; I642-E646 PolarHBondContact O-N 2.86Å; A643-E646 PolarHBondContact O-N 2.68Å; E646-L649 PolarHBondContact O-N 2.86Å; E646-K650 WeakPolarHBondContact O-CB 3.44Å; E646-K650 PolarHBondContact O-N 3.2Å |
| 647 | A | 96.9 | Very high | 95.4 | Very high | 52 Ų | 52 | 55.4 Ų | 55.4 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61 | -49 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A643 L649 K650 E651 | A643-A647 WeakPolarHBondContact O-CB 3.27Å; A643-A647 PolarHBondContact O-N 2.94Å; A647-L649 VanDerWaalsContact C-N 3.33Å; A647-L649 PolarHBondContact O-N 3.02Å; A647-K650 WeakPolarHBondContact O-CB 3.21Å; A647-K650 PolarHBondContact O-N 3.33Å; A647-K650 VanDerWaalsContact O-N 3.16Å; A647-E651 PolarHBondContact O-N 3.26Å |
| 648 | C | 95.5 | Very high | 95.7 | Very high | 31 Ų | 31 | 60.6 Ų | 60.6 | 21% | 0.209 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 177.6 | -68.1 | 0 | 0 | 0 | 0 | 112.8 | Y241 N644 Y645 E652 | Y241-C648 HydrophobicContact CD1-CB 4.31Å; Y241-C648 HydrophobicContact CD2-CB 3.93Å; Y241-C648 HydrophobicContact CE1-CB 4.05Å; Y241-C648 HydrophobicContact CE2-CB 3.67Å; Y241-C648 HydrophobicContact CG-CB 4.25Å; N644-C648 PolarHBondContact O-N 2.88Å; N644-C648 PolarHBondContact O-SG 2.96Å; Y645-C648 PolarHBondContact O-N 3.31Å; C648-E652 PolarHBondContact O-N 2.96Å |
| 649 | L | 97.1 | Very high | 95.9 | Very high | 30 Ų | 30 | 61.9 Ų | 61.9 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 175.1 | -179.9 | 58.2 | 0 | 0 | 0 | 111.4 | R238 E242 L245 Y645 E646 A647 E651 E652 V653 | R238-L649 HydrophobicContact CB-CD1 3.88Å; R238-L649 HydrophobicContact CG-CD1 4.33Å; E242-L649 HydrophobicContact CG-CD1 3.9Å; E242-L649 HydrophobicContact CG-CD2 3.71Å; E242-L649 HydrophobicContact CG-CG 4.5Å; L245-L649 HydrophobicContact CD1-CB 4.34Å; L245-L649 HydrophobicContact CD1-CD2 3.75Å; Y645-L649 WeakPolarHBondContact O-CB 3.35Å; Y645-L649 PolarHBondContact O-N 3.4Å; E646-L649 PolarHBondContact O-N 2.86Å; A647-L649 VanDerWaalsContact C-N 3.33Å; A647-L649 PolarHBondContact O-N 3.02Å; L649-E651 PolarHBondContact O-N 3.19Å; L649-E652 PolarHBondContact O-N 3.05Å; L649-V653 HydrophobicContact CD1-CG2 3.98Å; L649-V653 HydrophobicContact CG-CG2 4.35Å; L649-V653 WeakPolarHBondContact O-CB 3.42Å; L649-V653 VanDerWaalsContact O-CG2 3.27Å; L649-V653 WeakPolarHBondContact O-CG2 3.25Å; L649-V653 PolarHBondContact O-N 3.23Å |
| 650 | K | 97.4 | Very high | 96.1 | Very high | 144 Ų | 144 | 64.2 Ų | 64.2 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -58.7 | -46.2 | 175.1 | -173.6 | -178.8 | 176 | -177.2 | 0 | 111.3 | E646 A647 V653 E654 | E646-K650 WeakPolarHBondContact O-CB 3.44Å; E646-K650 PolarHBondContact O-N 3.2Å; A647-K650 WeakPolarHBondContact O-CB 3.21Å; A647-K650 PolarHBondContact O-N 3.33Å; A647-K650 VanDerWaalsContact O-N 3.16Å; K650-V653 PolarHBondContact O-N 2.94Å; K650-E654 WeakPolarHBondContact O-CB 3.42Å; K650-E654 PolarHBondContact O-N 3.12Å |
| 651 | E | 96.2 | Very high | 96.2 | Very high | 104 Ų | 104 | 65.2 Ų | 65.2 | 49% | 0.486 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 177.7 | -72.1 | -170.6 | 174.9 | 0 | 0 | 112.4 | S527 A647 L649 V653 E654 K655 | S527-E651 WeakPolarHBondContact CB-OE1 3.43Å; A647-E651 PolarHBondContact O-N 3.26Å; L649-E651 PolarHBondContact O-N 3.19Å; E651-V653 PolarHBondContact O-N 3.34Å; E651-E654 PolarHBondContact O-N 3.44Å; E651-K655 WeakPolarHBondContact O-CB 3.33Å; E651-K655 PolarHBondContact O-N 2.86Å |
| 652 | E | 95.9 | Very high | 96.3 | Very high | 17 Ų | 17 | 66.8 Ų | 66.8 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.1 | -30.4 | 178.7 | -72.8 | -72.5 | 147.1 | 0 | 0 | 113.1 | Q28 R237 R238 Y241 C648 L649 K655 R656 | Q28-E652 PolarHBondContact NE2-OE2 2.87Å; Q28-E652 VanDerWaalsContact NE2-OE2 3.08Å; R237-E652 HydrophobicContact CB-CG 3.84Å; R237-E652 VanDerWaalsContact CD-OE1 3.3Å; R237-E652 WeakPolarHBondContact CD-OE1 3.3Å; R237-E652 IonicContact NE-OE1 3.87Å; R237-E652 IonicContact NH1-OE1 3.93Å; R238-E652 HydrophobicContact CG-CB 4.02Å; Y241-E652 HydrophobicContact CD2-CG 4.41Å; Y241-E652 HydrophobicContact CE2-CG 3.84Å; C648-E652 PolarHBondContact O-N 2.96Å; L649-E652 PolarHBondContact O-N 3.05Å; E652-K655 IonicContact OE1-NZ 3.62Å; E652-K655 PolarHBondContact OE1-NZ 2.83Å; E652-K655 IonicContact OE2-NZ 3.41Å; E652-K655 PolarHBondContact OE2-NZ 3.02Å; E652-R656 WeakPolarHBondContact O-CB 3.47Å; E652-R656 PolarHBondContact O-N 2.92Å |
| 653 | V | 97.1 | Very high | 96.2 | Very high | 56 Ų | 56 | 67.2 Ų | 67.2 | 34% | 0.339 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.8 | -43 | 172.7 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | R238 L649 K650 E651 R656 K657 | R238-V653 HydrophobicContact CG-CG2 4.31Å; L649-V653 HydrophobicContact CD1-CG2 3.98Å; L649-V653 HydrophobicContact CG-CG2 4.35Å; L649-V653 WeakPolarHBondContact O-CB 3.42Å; L649-V653 VanDerWaalsContact O-CG2 3.27Å; L649-V653 WeakPolarHBondContact O-CG2 3.25Å; L649-V653 PolarHBondContact O-N 3.23Å; K650-V653 PolarHBondContact O-N 2.94Å; E651-V653 PolarHBondContact O-N 3.34Å; V653-R656 PolarHBondContact O-N 3.3Å; V653-K657 PolarHBondContact O-N 2.67Å |
| 654 | E | 97 | Very high | 96.1 | Very high | 122 Ų | 122 | 70.5 Ų | 70.5 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.8 | -41.5 | 176.4 | -171 | 171.8 | 166.5 | 0 | 0 | 111.6 | K650 E651 R656 K657 K658 | K650-E654 WeakPolarHBondContact O-CB 3.42Å; K650-E654 PolarHBondContact O-N 3.12Å; E651-E654 PolarHBondContact O-N 3.44Å; E654-R656 PolarHBondContact O-N 2.86Å; E654-K657 WeakPolarHBondContact O-CB 3.4Å; E654-K657 PolarHBondContact O-N 3.14Å; E654-K658 PolarHBondContact O-N 2.72Å |
| 655 | K | 95.8 | Very high | 96 | Very high | 62 Ų | 62 | 72 Ų | 72 | 27% | 0.27 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55.8 | -44.6 | 169.2 | 175.8 | -174 | 169.8 | -158 | 0 | 112.1 | E30 E651 E652 K658 F659 | E30-K655 IonicContact OE1-NZ 2.69Å; E651-K655 WeakPolarHBondContact O-CB 3.33Å; E651-K655 PolarHBondContact O-N 2.86Å; E652-K655 IonicContact OE1-NZ 3.62Å; E652-K655 PolarHBondContact OE1-NZ 2.83Å; E652-K655 IonicContact OE2-NZ 3.41Å; E652-K655 PolarHBondContact OE2-NZ 3.02Å; K655-K658 WeakPolarHBondContact O-CB 3.31Å; K655-K658 PolarHBondContact O-N 2.9Å; K655-F659 HydrophobicContact CD-CZ 4.41Å; K655-F659 HydrophobicContact CG-CE1 4.17Å; K655-F659 HydrophobicContact CG-CE2 4.09Å; K655-F659 HydrophobicContact CG-CZ 3.78Å; K655-F659 WeakPolarHBondContact O-CG 3.28Å; K655-F659 PolarHBondContact O-N 3.02Å |
| 656 | R | 96.2 | Very high | 95.9 | Very high | 8 Ų | 8 | 71.4 Ų | 71.4 | 3% | 0.03 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.1 | -36.1 | 175.5 | -167.3 | 69 | 58.4 | 119 | 2.4 | 112.5 | T16 E20 D236 R238 E652 V653 E654 K660 | T16-R656 VanDerWaalsContact CG2-NH1 3.29Å; E20-R656 IonicContact OE1-CZ 2.6Å; E20-R656 IonicContact OE1-NH1 3.96Å; E20-R656 PolarHBondContact OE1-NH1 3.21Å; D236-R656 IonicContact OD1-NH2 2.9Å; D236-R656 IonicContact OD2-CZ 2.76Å; D236-R656 IonicContact OD2-NH1 3.71Å; D236-R656 PolarHBondContact OD2-NH1 3.41Å; D236-R656 IonicContact OD2-NH2 2.64Å; D236-R656 PolarHBondContact OD2-NH2 2.86Å; R238-R656 VanDerWaalsContact NH2-CZ 3.3Å; E652-R656 WeakPolarHBondContact O-CB 3.47Å; E652-R656 PolarHBondContact O-N 2.92Å; V653-R656 PolarHBondContact O-N 3.3Å; E654-R656 PolarHBondContact O-N 2.86Å; R656-K660 PolarHBondContact O-N 3.35Å |
| 657 | K | 97.1 | Very high | 95.5 | Very high | 138 Ų | 138 | 69 Ų | 69 | 60% | 0.6 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.8 | -47.4 | 170.5 | -72.4 | -177.3 | 176.7 | -171.6 | 0 | 110.9 | V653 E654 F659 K660 I661 | V653-K657 PolarHBondContact O-N 2.67Å; E654-K657 WeakPolarHBondContact O-CB 3.4Å; E654-K657 PolarHBondContact O-N 3.14Å; K657-F659 PolarHBondContact O-N 3.23Å; K657-K660 PolarHBondContact O-N 2.7Å; K657-K660 VanDerWaalsContact O-N 3.15Å; K657-I661 WeakPolarHBondContact O-CG1 3.38Å; K657-I661 PolarHBondContact O-N 3.02Å; K657-I661 VanDerWaalsContact O-N 3.11Å |
| 658 | K | 97 | Very high | 95.2 | Very high | 126 Ų | 126 | 71.7 Ų | 71.7 | 55% | 0.548 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.4 | -46.6 | 177.2 | -177.2 | -171.1 | 167.5 | -170.1 | 0 | 111.6 | E654 K655 K660 I661 D662 | E654-K658 PolarHBondContact O-N 2.72Å; K655-K658 WeakPolarHBondContact O-CB 3.31Å; K655-K658 PolarHBondContact O-N 2.9Å; K658-K660 VanDerWaalsContact C-N 3.29Å; K658-K660 PolarHBondContact O-N 2.82Å; K658-I661 PolarHBondContact O-N 3.16Å; K658-I661 VanDerWaalsContact O-N 3.09Å; K658-D662 WeakPolarHBondContact CE-OD2 3.48Å; K658-D662 WeakPolarHBondContact CG-OD2 3.23Å; K658-D662 PolarHBondContact O-N 2.91Å |
| 659 | F | 96.5 | Very high | 94.9 | Very high | 27 Ų | 27 | 71.6 Ų | 71.6 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -54.5 | -43.4 | 177.1 | -66 | -20.6 | 0 | 0 | 0 | 112.3 | G13 L17 K655 K657 D662 D663 | G13-F659 VanDerWaalsContact CA-CG 3.49Å; L17-F659 HydrophobicContact CD1-CB 4.37Å; K655-F659 HydrophobicContact CD-CZ 4.41Å; K655-F659 HydrophobicContact CG-CE1 4.17Å; K655-F659 HydrophobicContact CG-CE2 4.09Å; K655-F659 HydrophobicContact CG-CZ 3.78Å; K655-F659 WeakPolarHBondContact O-CG 3.28Å; K655-F659 PolarHBondContact O-N 3.02Å; K657-F659 PolarHBondContact O-N 3.23Å; F659-D662 PolarHBondContact O-N 3.39Å; F659-D663 WeakPolarHBondContact O-CB 3.31Å; F659-D663 PolarHBondContact O-N 3.22Å |
| 660 | K | 96.7 | Very high | 94.5 | Very high | 92 Ų | 92 | 75.2 Ų | 75.2 | 40% | 0.4 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.2 | -34.8 | 178 | -61.9 | -169.2 | -171.9 | -139.9 | 0 | 112.6 | L17 E20 R656 K657 K658 Q664 | L17-K660 HydrophobicContact CD1-CG 4.17Å; L17-K660 HydrophobicContact CD2-CD 4.18Å; L17-K660 HydrophobicContact CD2-CG 3.61Å; E20-K660 WeakPolarHBondContact OE2-CE 3.15Å; E20-K660 IonicContact OE2-NZ 3.82Å; E20-K660 PolarHBondContact OE2-NZ 2.92Å; R656-K660 PolarHBondContact O-N 3.35Å; K657-K660 PolarHBondContact O-N 2.7Å; K657-K660 VanDerWaalsContact O-N 3.15Å; K658-K660 VanDerWaalsContact C-N 3.29Å; K658-K660 PolarHBondContact O-N 2.82Å; K660-Q664 WeakPolarHBondContact O-CB 3.28Å; K660-Q664 WeakPolarHBondContact O-CG 3.39Å; K660-Q664 PolarHBondContact O-N 2.93Å |
| 661 | I | 96.3 | Very high | 94 | Very high | 66 Ų | 66 | 71.6 Ų | 71.6 | 34% | 0.338 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.4 | -44.9 | 175.6 | -66.8 | 166.6 | 0 | 0 | 0 | 111.3 | K657 K658 Q664 R665 | K657-I661 WeakPolarHBondContact O-CG1 3.38Å; K657-I661 PolarHBondContact O-N 3.02Å; K657-I661 VanDerWaalsContact O-N 3.11Å; K658-I661 PolarHBondContact O-N 3.16Å; K658-I661 VanDerWaalsContact O-N 3.09Å; I661-Q664 PolarHBondContact O-N 2.74Å; I661-R665 WeakPolarHBondContact O-CD 3.18Å; I661-R665 VanDerWaalsContact O-CG 3.24Å; I661-R665 WeakPolarHBondContact O-CG 3.42Å; I661-R665 PolarHBondContact O-N 2.74Å |
| 662 | D | 94.8 | Very high | 93.7 | Very high | 48 Ų | 48 | 71.9 Ų | 71.9 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.8 | -32 | -179.9 | -71.9 | -23.4 | 0 | 0 | 0 | 111.8 | K658 F659 R665 R666 | K658-D662 WeakPolarHBondContact CE-OD2 3.48Å; K658-D662 WeakPolarHBondContact CG-OD2 3.23Å; K658-D662 PolarHBondContact O-N 2.91Å; F659-D662 PolarHBondContact O-N 3.39Å; D662-R665 PolarHBondContact O-N 2.8Å; D662-R665 IonicContact OD1-CZ 3.63Å; D662-R665 IonicContact OD1-NH1 2.75Å; D662-R665 PolarHBondContact OD1-NH1 3.48Å; D662-R666 WeakPolarHBondContact O-CB 3.28Å; D662-R666 PolarHBondContact O-N 2.77Å |
| 663 | D | 94.6 | Very high | 93.5 | Very high | 17 Ų | 17 | 77.4 Ų | 77.4 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66 | -45.1 | 169.4 | -170.5 | 63.3 | 0 | 0 | 0 | 112.9 | L17 H144 F659 R665 R666 T667 | L17-D663 HydrophobicContact CD1-CB 3.59Å; H144-D663 IonicContact CE1-OD2 3.64Å; H144-D663 PolarHBondContact CE1-OD2 3.37Å; H144-D663 IonicContact CG-OD1 3.17Å; H144-D663 IonicContact ND1-OD1 3.79Å; H144-D663 PolarHBondContact ND1-OD1 2.86Å; H144-D663 IonicContact ND1-OD2 3.67Å; H144-D663 PolarHBondContact ND1-OD2 3.35Å; F659-D663 WeakPolarHBondContact O-CB 3.31Å; F659-D663 PolarHBondContact O-N 3.22Å; D663-R665 VanDerWaalsContact C-N 3.3Å; D663-R665 PolarHBondContact O-N 3.34Å; D663-R666 WeakPolarHBondContact O-CB 3.07Å; D663-R666 PolarHBondContact O-N 2.74Å; D663-R666 VanDerWaalsContact O-N 3.08Å; D663-R666 IonicContact OD1-NE 3.39Å; D663-R666 IonicContact OD1-NH2 3.23Å; D663-T667 WeakPolarHBondContact O-CB 3.3Å; D663-T667 VanDerWaalsContact O-CG2 3.3Å; D663-T667 WeakPolarHBondContact O-CG2 3.43Å; D663-T667 PolarHBondContact O-N 3.19Å; D663-T667 PolarHBondContact O-OG1 3.06Å |
| 664 | Q | 93.5 | Very high | 93.2 | Very high | 128 Ų | 128 | 78.4 Ų | 78.4 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -57.6 | -42 | 171.5 | -77 | 171.5 | -4.1 | 0 | 0 | 111.9 | K660 I661 R666 T667 H668 | K660-Q664 WeakPolarHBondContact O-CB 3.28Å; K660-Q664 WeakPolarHBondContact O-CG 3.39Å; K660-Q664 PolarHBondContact O-N 2.93Å; I661-Q664 PolarHBondContact O-N 2.74Å; Q664-R666 VanDerWaalsContact C-N 3.3Å; Q664-R666 PolarHBondContact O-N 2.87Å; Q664-T667 PolarHBondContact O-N 2.94Å; Q664-T667 PolarHBondContact O-OG1 3.29Å; Q664-H668 WeakPolarHBondContact O-CB 3.28Å; Q664-H668 PolarHBondContact O-N 2.95Å |
| 665 | R | 92.5 | Very high | 92.9 | Very high | 115 Ų | 115 | 76.3 Ų | 76.3 | 43% | 0.434 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.3 | -30.1 | 175.2 | -71.1 | 161.7 | 172.9 | 175.4 | -4.2 | 113.3 | I661 D662 D663 Y670 | I661-R665 WeakPolarHBondContact O-CD 3.18Å; I661-R665 VanDerWaalsContact O-CG 3.24Å; I661-R665 WeakPolarHBondContact O-CG 3.42Å; I661-R665 PolarHBondContact O-N 2.74Å; D662-R665 PolarHBondContact O-N 2.8Å; D662-R665 IonicContact OD1-CZ 3.63Å; D662-R665 IonicContact OD1-NH1 2.75Å; D662-R665 PolarHBondContact OD1-NH1 3.48Å; D663-R665 VanDerWaalsContact C-N 3.3Å; D663-R665 PolarHBondContact O-N 3.34Å; R665-Y670 WeakPolarHBondContact O-CE2 3.37Å |
| 666 | R | 91.6 | Very high | 92.8 | Very high | 30 Ų | 30 | 77.3 Ų | 77.3 | 11% | 0.113 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -77.4 | -37.3 | 178.9 | -163 | -159.2 | -34.4 | -98.9 | 1.7 | 112.2 | E9 D11 R146 D662 D663 Q664 | E9-R666 VanDerWaalsContact OE2-CD 3.31Å; E9-R666 WeakPolarHBondContact OE2-CD 3.4Å; E9-R666 IonicContact OE2-CZ 2.74Å; E9-R666 IonicContact OE2-NE 2.88Å; E9-R666 IonicContact OE2-NH1 3.62Å; E9-R666 PolarHBondContact OE2-NH1 3.22Å; D11-R666 IonicContact OD2-CZ 3.14Å; D11-R666 IonicContact OD2-NH1 2.68Å; D11-R666 PolarHBondContact OD2-NH1 3.23Å; D11-R666 IonicContact OD2-NH2 2.72Å; D11-R666 PolarHBondContact OD2-NH2 3.03Å; R146-R666 HydrophobicContact CG-CG 4.16Å; D662-R666 WeakPolarHBondContact O-CB 3.28Å; D662-R666 PolarHBondContact O-N 2.77Å; D663-R666 WeakPolarHBondContact O-CB 3.07Å; D663-R666 PolarHBondContact O-N 2.74Å; D663-R666 VanDerWaalsContact O-N 3.08Å; D663-R666 IonicContact OD1-NE 3.39Å; D663-R666 IonicContact OD1-NH2 3.23Å; Q664-R666 VanDerWaalsContact C-N 3.3Å; Q664-R666 PolarHBondContact O-N 2.87Å |
| 667 | T | 91.1 | Very high | 92.7 | Very high | 37 Ų | 37 | 82.1 Ų | 82.1 | 23% | 0.227 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -95.4 | -17.8 | -171.8 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | S143 P147 D663 Q664 | S143-T667 WeakPolarHBondContact O-CG2 3.39Å; P147-T667 WeakPolarHBondContact CD-O 3.49Å; P147-T667 WeakPolarHBondContact CG-O 3.49Å; D663-T667 WeakPolarHBondContact O-CB 3.3Å; D663-T667 VanDerWaalsContact O-CG2 3.3Å; D663-T667 WeakPolarHBondContact O-CG2 3.43Å; D663-T667 PolarHBondContact O-N 3.19Å; D663-T667 PolarHBondContact O-OG1 3.06Å; Q664-T667 PolarHBondContact O-N 2.94Å; Q664-T667 PolarHBondContact O-OG1 3.29Å |
| 668 | H | 90.2 | Very high | 92.5 | Very high | 107 Ų | 107 | 79.2 Ų | 79.2 | 50% | 0.495 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -67.8 | 132.4 | 178.8 | -176.2 | 81.7 | 0 | 0 | 0 | 112.9 | Q664 Y670 | Q664-H668 WeakPolarHBondContact O-CB 3.28Å; Q664-H668 PolarHBondContact O-N 2.95Å; H668-Y670 HydrophobicContact CB-CE2 4.25Å; H668-Y670 AromaticContact CD2-CD1 3.7Å; H668-Y670 AromaticContact CD2-CE1 3.65Å; H668-Y670 AromaticContact CD2-CG 3.94Å; H668-Y670 AromaticContact CD2-CZ 3.85Å; H668-Y670 WeakPolarHBondContact O-CD2 3.17Å; H668-Y670 PolarHBondContact O-N 3.48Å |
| 669 | N | 88.4 | Confident | 92.3 | Very high | 29 Ų | 29 | 76.3 Ų | 76.3 | 16% | 0.155 | 37% | 0.374 | C | S | . | . | trans | -82.4 | 96.4 | 176.3 | -177.9 | 29 | 0 | 0 | 0 | 111.9 | P147 R150 D671 E672 | P147-N669 HydrophobicContact CG-CB 4.31Å; R150-N669 PolarHBondContact NH2-ND2 3.25Å; N669-D671 PolarHBondContact O-N 2.75Å; N669-D671 VanDerWaalsContact OD1-CB 3.31Å; N669-D671 WeakPolarHBondContact OD1-CB 3.44Å; N669-D671 PolarHBondContact OD1-N 2.86Å; N669-E672 PolarHBondContact ND2-OE1 3.34Å | ||
| 670 | Y | 89.9 | Confident | 92.1 | Very high | 106 Ų | 106 | 80.1 Ų | 80.1 | 42% | 0.416 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -11.6 | 176.5 | -64.2 | -82.8 | 0 | 0 | 0 | 114.5 | R665 H668 E672 F673 I674 | R665-Y670 WeakPolarHBondContact O-CE2 3.37Å; H668-Y670 HydrophobicContact CB-CE2 4.25Å; H668-Y670 AromaticContact CD2-CD1 3.7Å; H668-Y670 AromaticContact CD2-CE1 3.65Å; H668-Y670 AromaticContact CD2-CG 3.94Å; H668-Y670 AromaticContact CD2-CZ 3.85Å; H668-Y670 WeakPolarHBondContact O-CD2 3.17Å; H668-Y670 PolarHBondContact O-N 3.48Å; Y670-E672 VanDerWaalsContact C-N 3.28Å; Y670-E672 PolarHBondContact O-N 2.99Å; Y670-F673 PolarHBondContact O-N 3.42Å; Y670-F673 VanDerWaalsContact O-N 3.15Å; Y670-I674 WeakPolarHBondContact O-CB 3.4Å; Y670-I674 VanDerWaalsContact O-CG1 3.28Å; Y670-I674 WeakPolarHBondContact O-CG1 3.4Å; Y670-I674 PolarHBondContact O-N 3.08Å |
| 671 | D | 86.9 | Confident | 92 | Very high | 68 Ų | 68 | 76.8 Ų | 76.8 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -54.7 | -42.1 | -175.4 | -73.8 | -8.9 | 0 | 0 | 0 | 112.5 | N669 I674 C675 | N669-D671 PolarHBondContact O-N 2.75Å; N669-D671 VanDerWaalsContact OD1-CB 3.31Å; N669-D671 WeakPolarHBondContact OD1-CB 3.44Å; N669-D671 PolarHBondContact OD1-N 2.86Å; D671-I674 PolarHBondContact O-N 3.21Å; D671-C675 VanDerWaalsContact O-CB 3.29Å; D671-C675 WeakPolarHBondContact O-CB 3.15Å; D671-C675 PolarHBondContact O-N 2.82Å; D671-C675 PolarHBondContact O-SG 2.68Å |
| 672 | E | 88.1 | Confident | 91.8 | Very high | 111 Ų | 111 | 76.2 Ų | 76.2 | 52% | 0.519 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | -177.3 | -69.1 | 163.8 | -145.4 | 0 | 0 | 111.4 | R150 N669 Y670 T676 | R150-E672 IonicContact CZ-OE1 3.2Å; R150-E672 IonicContact NH1-OE1 3.85Å; R150-E672 PolarHBondContact NH1-OE1 3.25Å; R150-E672 IonicContact NH2-OE1 2.72Å; R150-E672 PolarHBondContact NH2-OE1 2.94Å; N669-E672 PolarHBondContact ND2-OE1 3.34Å; Y670-E672 VanDerWaalsContact C-N 3.28Å; Y670-E672 PolarHBondContact O-N 2.99Å; E672-T676 WeakPolarHBondContact O-CB 3.45Å; E672-T676 PolarHBondContact O-N 2.98Å; E672-T676 VanDerWaalsContact O-N 3.15Å; E672-T676 PolarHBondContact O-OG1 2.7Å |
| 673 | F | 91.4 | Very high | 91.7 | Very high | 133 Ų | 133 | 81.7 Ų | 81.7 | 58% | 0.583 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.1 | -45.4 | 171.7 | 170.6 | -100.2 | 0 | 0 | 0 | 111.9 | Y670 T676 F677 | Y670-F673 PolarHBondContact O-N 3.42Å; Y670-F673 VanDerWaalsContact O-N 3.15Å; F673-T676 PolarHBondContact O-N 2.79Å; F673-F677 WeakPolarHBondContact O-CB 3.07Å; F673-F677 PolarHBondContact O-N 3.11Å |
| 674 | I | 91 | Very high | 91.6 | Very high | 77 Ų | 77 | 87.5 Ų | 87.5 | 40% | 0.395 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.8 | -46.8 | -178.5 | -69.7 | 165.9 | 0 | 0 | 0 | 110.8 | Y670 D671 T676 F677 I678 | Y670-I674 WeakPolarHBondContact O-CB 3.4Å; Y670-I674 VanDerWaalsContact O-CG1 3.28Å; Y670-I674 WeakPolarHBondContact O-CG1 3.4Å; Y670-I674 PolarHBondContact O-N 3.08Å; D671-I674 PolarHBondContact O-N 3.21Å; I674-T676 PolarHBondContact O-N 3.3Å; I674-F677 PolarHBondContact O-N 3.39Å; I674-I678 HydrophobicContact CG2-CD1 3.68Å; I674-I678 HydrophobicContact CG2-CG1 4.44Å; I674-I678 WeakPolarHBondContact O-CB 3.01Å; I674-I678 VanDerWaalsContact O-CG1 3.28Å; I674-I678 WeakPolarHBondContact O-CG1 3.25Å; I674-I678 PolarHBondContact O-N 3.15Å |
| 675 | C | 91.5 | Very high | 91.5 | Very high | 78 Ų | 78 | 83.4 Ų | 83.4 | 53% | 0.527 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 176.7 | -73.8 | 0 | 0 | 0 | 0 | 111.9 | D671 S679 | D671-C675 VanDerWaalsContact O-CB 3.29Å; D671-C675 WeakPolarHBondContact O-CB 3.15Å; D671-C675 PolarHBondContact O-N 2.82Å; D671-C675 PolarHBondContact O-SG 2.68Å; C675-S679 WeakPolarHBondContact O-CB 3.46Å; C675-S679 PolarHBondContact O-N 3.11Å; C675-S679 PolarHBondContact O-OG 3.43Å |
| 676 | T | 93.2 | Very high | 91.3 | Very high | 82 Ų | 82 | 82.1 Ų | 82.1 | 50% | 0.503 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63 | -48.5 | 175 | -57 | 0 | 0 | 0 | 0 | 111.1 | E672 F673 I674 I678 S679 M680 | E672-T676 WeakPolarHBondContact O-CB 3.45Å; E672-T676 PolarHBondContact O-N 2.98Å; E672-T676 VanDerWaalsContact O-N 3.15Å; E672-T676 PolarHBondContact O-OG1 2.7Å; F673-T676 PolarHBondContact O-N 2.79Å; I674-T676 PolarHBondContact O-N 3.3Å; T676-I678 PolarHBondContact O-N 3.29Å; T676-S679 WeakPolarHBondContact O-CB 3.43Å; T676-S679 PolarHBondContact O-N 3.1Å; T676-M680 HydrophobicContact CG2-SD 4.35Å; T676-M680 WeakPolarHBondContact O-CG 3.45Å; T676-M680 PolarHBondContact O-N 3.19Å |
| 677 | F | 93.8 | Very high | 91.1 | Very high | 109 Ų | 109 | 83 Ų | 83 | 48% | 0.478 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 179.8 | 179.3 | -110.5 | 0 | 0 | 0 | 112.7 | F673 I674 S679 M680 L681 | F673-F677 WeakPolarHBondContact O-CB 3.07Å; F673-F677 PolarHBondContact O-N 3.11Å; I674-F677 PolarHBondContact O-N 3.39Å; F677-S679 VanDerWaalsContact C-N 3.32Å; F677-S679 PolarHBondContact O-N 2.97Å; F677-M680 PolarHBondContact O-N 3.03Å; F677-L681 HydrophobicContact CD1-CD1 4.04Å; F677-L681 HydrophobicContact CE1-CD1 3.54Å; F677-L681 HydrophobicContact CE1-CG 4.3Å; F677-L681 HydrophobicContact CE2-CD1 4.48Å; F677-L681 HydrophobicContact CE2-CG 4.42Å; F677-L681 HydrophobicContact CZ-CD1 3.79Å; F677-L681 HydrophobicContact CZ-CD2 4.41Å; F677-L681 HydrophobicContact CZ-CG 4.19Å; F677-L681 WeakPolarHBondContact O-CG 3.3Å; F677-L681 PolarHBondContact O-N 2.82Å |
| 678 | I | 93.3 | Very high | 90.8 | Very high | 78 Ų | 78 | 84.5 Ų | 84.5 | 40% | 0.4 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 175.1 | -68.8 | 170.2 | 0 | 0 | 0 | 110.9 | I674 T676 L681 A682 L687 | I674-I678 HydrophobicContact CG2-CD1 3.68Å; I674-I678 HydrophobicContact CG2-CG1 4.44Å; I674-I678 WeakPolarHBondContact O-CB 3.01Å; I674-I678 VanDerWaalsContact O-CG1 3.28Å; I674-I678 WeakPolarHBondContact O-CG1 3.25Å; I674-I678 PolarHBondContact O-N 3.15Å; T676-I678 PolarHBondContact O-N 3.29Å; I678-L681 PolarHBondContact O-N 3.03Å; I678-A682 PolarHBondContact O-N 2.96Å; I678-L687 HydrophobicContact CG2-CD1 4.42Å; I678-L687 HydrophobicContact CG2-CD2 3.94Å |
| 679 | S | 92.7 | Very high | 90.6 | Very high | 64 Ų | 64 | 84 Ų | 84 | 45% | 0.448 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 176.8 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | C675 T676 F677 A682 Q683 | C675-S679 WeakPolarHBondContact O-CB 3.46Å; C675-S679 PolarHBondContact O-N 3.11Å; C675-S679 PolarHBondContact O-OG 3.43Å; T676-S679 WeakPolarHBondContact O-CB 3.43Å; T676-S679 PolarHBondContact O-N 3.1Å; F677-S679 VanDerWaalsContact C-N 3.32Å; F677-S679 PolarHBondContact O-N 2.97Å; S679-A682 WeakPolarHBondContact O-CB 3.31Å; S679-A682 PolarHBondContact O-N 3.07Å; S679-Q683 WeakPolarHBondContact O-CG 3.23Å; S679-Q683 PolarHBondContact O-N 3.27Å |
| 680 | M | 93.6 | Very high | 90.5 | Very high | 108 Ų | 108 | 86 Ų | 86 | 53% | 0.532 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 174 | -68.1 | 179 | 72.8 | 0 | 0 | 111.9 | T676 F677 A682 Q683 E684 | T676-M680 HydrophobicContact CG2-SD 4.35Å; T676-M680 WeakPolarHBondContact O-CG 3.45Å; T676-M680 PolarHBondContact O-N 3.19Å; F677-M680 PolarHBondContact O-N 3.03Å; M680-A682 PolarHBondContact O-N 3.3Å; M680-Q683 PolarHBondContact O-N 3.13Å; M680-E684 WeakPolarHBondContact O-CG 3.32Å; M680-E684 PolarHBondContact O-N 2.68Å |
| 681 | L | 93.8 | Very high | 90.3 | Very high | 22 Ų | 22 | 84.5 Ų | 84.5 | 12% | 0.115 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -60.8 | -31.1 | 174.2 | -72.9 | 178.4 | 0 | 0 | 0 | 112.7 | F677 I678 M686 L687 L690 | F677-L681 HydrophobicContact CD1-CD1 4.04Å; F677-L681 HydrophobicContact CE1-CD1 3.54Å; F677-L681 HydrophobicContact CE1-CG 4.3Å; F677-L681 HydrophobicContact CE2-CD1 4.48Å; F677-L681 HydrophobicContact CE2-CG 4.42Å; F677-L681 HydrophobicContact CZ-CD1 3.79Å; F677-L681 HydrophobicContact CZ-CD2 4.41Å; F677-L681 HydrophobicContact CZ-CG 4.19Å; F677-L681 WeakPolarHBondContact O-CG 3.3Å; F677-L681 PolarHBondContact O-N 2.82Å; I678-L681 PolarHBondContact O-N 3.03Å; L681-M686 HydrophobicContact CD2-CB 4.16Å; L681-M686 HydrophobicContact CD2-CE 4.02Å; L681-M686 PolarHBondContact O-N 3.01Å; L681-L687 HydrophobicContact CB-CB 4.02Å; L681-L687 HydrophobicContact CB-CD1 4.37Å; L681-L687 WeakPolarHBondContact O-CB 3.41Å; L681-L687 PolarHBondContact O-N 3.44Å; L681-L690 HydrophobicContact CD1-CD2 4.28Å |
| 682 | A | 93 | Very high | 90.2 | Very high | 54 Ų | 54 | 87.5 Ų | 87.5 | 45% | 0.446 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -72.6 | -43.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I678 S679 M680 G685 L687 | I678-A682 PolarHBondContact O-N 2.96Å; S679-A682 WeakPolarHBondContact O-CB 3.31Å; S679-A682 PolarHBondContact O-N 3.07Å; M680-A682 PolarHBondContact O-N 3.3Å; A682-G685 PolarHBondContact O-N 3.28Å; A682-G685 VanDerWaalsContact O-N 3.08Å; A682-L687 HydrophobicContact CB-CB 4.41Å; A682-L687 HydrophobicContact CB-CD2 3.87Å |
| 683 | Q | 92.5 | Very high | 89.8 | Confident | 162 Ų | 162 | 88 Ų | 88 | 76% | 0.757 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.7 | -41.5 | 178 | -72.1 | 168.3 | -5.5 | 0 | 0 | 112.3 | S679 M680 G685 | S679-Q683 WeakPolarHBondContact O-CG 3.23Å; S679-Q683 PolarHBondContact O-N 3.27Å; M680-Q683 PolarHBondContact O-N 3.13Å; Q683-G685 PolarHBondContact O-N 2.99Å |
| 684 | E | 92.7 | Very high | 89.1 | Confident | 139 Ų | 139 | 86.6 Ų | 86.6 | 65% | 0.65 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 2.9 | 174.3 | -66 | -65.7 | 152.4 | 0 | 0 | 113.5 | M680 M686 | M680-E684 WeakPolarHBondContact O-CG 3.32Å; M680-E684 PolarHBondContact O-N 2.68Å; E684-M686 HydrophobicContact CB-CE 3.57Å; E684-M686 HydrophobicContact CB-CG 4.22Å; E684-M686 HydrophobicContact CG-CE 3.98Å; E684-M686 PolarHBondContact O-N 3.47Å |
| 685 | G | 89.9 | Confident | 88.6 | Confident | 43 Ų | 43 | 86 Ų | 86 | 44% | 0.443 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | -2.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A682 Q683 L687 | A682-G685 PolarHBondContact O-N 3.28Å; A682-G685 VanDerWaalsContact O-N 3.08Å; Q683-G685 PolarHBondContact O-N 2.99Å; G685-L687 PolarHBondContact O-N 3.27Å |
| 686 | M | 89.1 | Confident | 87.5 | Confident | 87 Ų | 87 | 84.3 Ų | 84.3 | 43% | 0.429 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.5 | -31.4 | -176.8 | -69.7 | -167.6 | -83.9 | 0 | 0 | 113.2 | L681 E684 A688 N689 L690 | L681-M686 HydrophobicContact CD2-CB 4.16Å; L681-M686 HydrophobicContact CD2-CE 4.02Å; L681-M686 PolarHBondContact O-N 3.01Å; E684-M686 HydrophobicContact CB-CE 3.57Å; E684-M686 HydrophobicContact CB-CG 4.22Å; E684-M686 HydrophobicContact CG-CE 3.98Å; E684-M686 PolarHBondContact O-N 3.47Å; M686-A688 VanDerWaalsContact C-N 3.33Å; M686-A688 PolarHBondContact O-N 2.93Å; M686-N689 PolarHBondContact O-N 2.91Å; M686-L690 HydrophobicContact CB-CD1 4.46Å; M686-L690 WeakPolarHBondContact O-CD1 3.14Å; M686-L690 PolarHBondContact O-N 3.43Å |
| 687 | L | 88.1 | Confident | 86.1 | Confident | 49 Ų | 49 | 83.9 Ų | 83.9 | 26% | 0.257 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -57.1 | -42.5 | -173.1 | -176.2 | 62.5 | 0 | 0 | 0 | 112.9 | I678 L681 A682 G685 N689 L690 V691 | I678-L687 HydrophobicContact CG2-CD1 4.42Å; I678-L687 HydrophobicContact CG2-CD2 3.94Å; L681-L687 HydrophobicContact CB-CB 4.02Å; L681-L687 HydrophobicContact CB-CD1 4.37Å; L681-L687 WeakPolarHBondContact O-CB 3.41Å; L681-L687 PolarHBondContact O-N 3.44Å; A682-L687 HydrophobicContact CB-CB 4.41Å; A682-L687 HydrophobicContact CB-CD2 3.87Å; G685-L687 PolarHBondContact O-N 3.27Å; L687-N689 PolarHBondContact O-N 3.49Å; L687-L690 PolarHBondContact O-N 2.87Å; L687-V691 HydrophobicContact CD1-CG2 4.05Å; L687-V691 HydrophobicContact CG-CG2 4.3Å; L687-V691 WeakPolarHBondContact O-CB 3.37Å; L687-V691 VanDerWaalsContact O-CG2 3.26Å; L687-V691 WeakPolarHBondContact O-CG2 3.48Å; L687-V691 PolarHBondContact O-N 3.38Å |
| 688 | A | 84.7 | Confident | 84.4 | Confident | 69 Ų | 69 | 85.7 Ų | 85.7 | 57% | 0.57 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.4 | -46 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M686 V691 E692 | M686-A688 VanDerWaalsContact C-N 3.33Å; M686-A688 PolarHBondContact O-N 2.93Å; A688-V691 PolarHBondContact O-N 2.83Å; A688-E692 PolarHBondContact O-N 2.84Å |
| 689 | N | 85.4 | Confident | 82.6 | Confident | 97 Ų | 97 | 91.5 Ų | 91.5 | 52% | 0.519 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 177.9 | -65.7 | -46 | 0 | 0 | 0 | 111.7 | M686 L687 V691 E692 Q693 | M686-N689 PolarHBondContact O-N 2.91Å; L687-N689 PolarHBondContact O-N 3.49Å; N689-V691 PolarHBondContact O-N 2.86Å; N689-E692 PolarHBondContact O-N 3.14Å; N689-Q693 WeakPolarHBondContact O-CB 3.48Å; N689-Q693 VanDerWaalsContact O-CG 3.24Å; N689-Q693 WeakPolarHBondContact O-CG 3.49Å; N689-Q693 PolarHBondContact O-N 3.47Å |
| 690 | L | 86.2 | Confident | 80.9 | Confident | 71 Ų | 71 | 99.2 Ų | 99.2 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 177.3 | -95.3 | 68.3 | 0 | 0 | 0 | 112.2 | L681 M686 L687 N694 | L681-L690 HydrophobicContact CD1-CD2 4.28Å; M686-L690 HydrophobicContact CB-CD1 4.46Å; M686-L690 WeakPolarHBondContact O-CD1 3.14Å; M686-L690 PolarHBondContact O-N 3.43Å; L687-L690 PolarHBondContact O-N 2.87Å; L690-N694 WeakPolarHBondContact O-CB 3.47Å; L690-N694 PolarHBondContact O-N 2.91Å; L690-N694 VanDerWaalsContact O-N 3.07Å; L690-N694 PolarHBondContact O-ND2 3.29Å |
| 691 | V | 86.3 | Confident | 79.3 | Confident | 73 Ų | 73 | 100.7 Ų | 100.7 | 44% | 0.442 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.7 | -45.6 | 177.6 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | L687 A688 N689 Q693 N694 I695 | L687-V691 HydrophobicContact CD1-CG2 4.05Å; L687-V691 HydrophobicContact CG-CG2 4.3Å; L687-V691 WeakPolarHBondContact O-CB 3.37Å; L687-V691 VanDerWaalsContact O-CG2 3.26Å; L687-V691 WeakPolarHBondContact O-CG2 3.48Å; L687-V691 PolarHBondContact O-N 3.38Å; A688-V691 PolarHBondContact O-N 2.83Å; N689-V691 PolarHBondContact O-N 2.86Å; V691-Q693 PolarHBondContact O-N 3.34Å; V691-N694 PolarHBondContact O-N 3.13Å; V691-I695 HydrophobicContact CG1-CD1 3.69Å; V691-I695 HydrophobicContact CG1-CG1 4.45Å; V691-I695 VanDerWaalsContact O-CG1 3.3Å; V691-I695 WeakPolarHBondContact O-CG1 3.45Å; V691-I695 PolarHBondContact O-N 2.8Å |
| 692 | E | 83.7 | Confident | 77.2 | Confident | 131 Ų | 131 | 102.7 Ų | 102.7 | 61% | 0.612 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.7 | -39.8 | 177.8 | -177.6 | 163.5 | -142.7 | 0 | 0 | 112.4 | A688 N689 I695 S696 | A688-E692 PolarHBondContact O-N 2.84Å; N689-E692 PolarHBondContact O-N 3.14Å; E692-I695 PolarHBondContact O-N 3.47Å; E692-S696 VanDerWaalsContact O-CB 3.24Å; E692-S696 WeakPolarHBondContact O-CB 3.33Å; E692-S696 PolarHBondContact O-N 3.2Å; E692-S696 PolarHBondContact O-OG 3.02Å |
| 693 | Q | 80.4 | Confident | 75.4 | Confident | 122 Ų | 122 | 104.1 Ų | 104.1 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.8 | -48.6 | 172.4 | -75.2 | 175.8 | 13.2 | 0 | 0 | 111.5 | N689 V691 S696 V697 | N689-Q693 WeakPolarHBondContact O-CB 3.48Å; N689-Q693 VanDerWaalsContact O-CG 3.24Å; N689-Q693 WeakPolarHBondContact O-CG 3.49Å; N689-Q693 PolarHBondContact O-N 3.47Å; V691-Q693 PolarHBondContact O-N 3.34Å; Q693-S696 CarbonylContact O-C 3.53Å; Q693-S696 WeakPolarHBondContact O-CB 3.24Å; Q693-S696 PolarHBondContact O-N 3.12Å; Q693-S696 VanDerWaalsContact O-N 3.15Å; Q693-V697 WeakPolarHBondContact O-CG2 3.17Å; Q693-V697 PolarHBondContact O-N 3.21Å |
| 694 | N | 77 | Confident | 73.2 | Confident | 104 Ų | 104 | 101.3 Ų | 101.3 | 56% | 0.556 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66 | -39.7 | -179.3 | -86.2 | -84.4 | 0 | 0 | 0 | 113.2 | L690 V691 S696 V697 R698 | L690-N694 WeakPolarHBondContact O-CB 3.47Å; L690-N694 PolarHBondContact O-N 2.91Å; L690-N694 VanDerWaalsContact O-N 3.07Å; L690-N694 PolarHBondContact O-ND2 3.29Å; V691-N694 PolarHBondContact O-N 3.13Å; N694-S696 VanDerWaalsContact C-N 3.28Å; N694-S696 PolarHBondContact O-N 2.75Å; N694-V697 PolarHBondContact O-N 2.87Å; N694-R698 PolarHBondContact O-N 2.83Å |
| 695 | I | 79.2 | Confident | 71.3 | Confident | 63 Ų | 63 | 99.9 Ų | 99.9 | 32% | 0.323 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 172.5 | -68.1 | 167.4 | 0 | 0 | 0 | 110.3 | V691 E692 R698 R699 I705 | V691-I695 HydrophobicContact CG1-CD1 3.69Å; V691-I695 HydrophobicContact CG1-CG1 4.45Å; V691-I695 VanDerWaalsContact O-CG1 3.3Å; V691-I695 WeakPolarHBondContact O-CG1 3.45Å; V691-I695 PolarHBondContact O-N 2.8Å; E692-I695 PolarHBondContact O-N 3.47Å; I695-R698 PolarHBondContact O-N 3.48Å; I695-R699 WeakPolarHBondContact O-CG 3.34Å; I695-R699 PolarHBondContact O-N 3.42Å; I695-I705 HydrophobicContact CG2-CD1 4.49Å |
| 696 | S | 69.5 | Low | 69.1 | Low | 43 Ų | 43 | 100.7 Ų | 100.7 | 30% | 0.301 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.5 | -37.3 | 178.7 | -63.1 | 0 | 0 | 0 | 0 | 113.2 | E692 Q693 N694 R699 R700 | E692-S696 VanDerWaalsContact O-CB 3.24Å; E692-S696 WeakPolarHBondContact O-CB 3.33Å; E692-S696 PolarHBondContact O-N 3.2Å; E692-S696 PolarHBondContact O-OG 3.02Å; Q693-S696 CarbonylContact O-C 3.53Å; Q693-S696 WeakPolarHBondContact O-CB 3.24Å; Q693-S696 PolarHBondContact O-N 3.12Å; Q693-S696 VanDerWaalsContact O-N 3.15Å; N694-S696 VanDerWaalsContact C-N 3.28Å; N694-S696 PolarHBondContact O-N 2.75Å; S696-R699 PolarHBondContact O-N 2.96Å; S696-R700 PolarHBondContact O-N 2.92Å |
| 697 | V | 62.6 | Low | 66.8 | Low | 74 Ų | 74 | 107.7 Ų | 107.7 | 45% | 0.448 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.5 | -46.3 | 173 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | Q693 N694 R699 R700 Q701 | Q693-V697 WeakPolarHBondContact O-CG2 3.17Å; Q693-V697 PolarHBondContact O-N 3.21Å; N694-V697 PolarHBondContact O-N 2.87Å; V697-R699 VanDerWaalsContact C-N 3.29Å; V697-R699 PolarHBondContact O-N 3.01Å; V697-R700 WeakPolarHBondContact O-CB 3.07Å; V697-R700 PolarHBondContact O-N 3.04Å; V697-Q701 PolarHBondContact O-N 3Å |
| 698 | R | 58.3 | Low | 64.7 | Low | 146 Ų | 146 | 112.9 Ų | 112.9 | 55% | 0.551 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62 | -33 | 176 | -84 | -174.9 | 169.3 | 167.5 | -1 | 113.4 | N694 I695 R700 Q701 G702 | N694-R698 PolarHBondContact O-N 2.83Å; I695-R698 PolarHBondContact O-N 3.48Å; R698-R700 VanDerWaalsContact C-N 3.3Å; R698-R700 PolarHBondContact O-N 3.3Å; R698-Q701 PolarHBondContact O-N 2.91Å; R698-G702 PolarHBondContact O-N 3.45Å |
| 699 | R | 56.8 | Low | 62.8 | Low | 200 Ų | 200 | 117.1 Ų | 117.1 | 76% | 0.755 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.4 | -32.8 | 170.9 | -76.1 | 178.6 | -178.1 | 169.7 | 3.2 | 113 | I695 S696 V697 | I695-R699 WeakPolarHBondContact O-CG 3.34Å; I695-R699 PolarHBondContact O-N 3.42Å; S696-R699 PolarHBondContact O-N 2.96Å; V697-R699 VanDerWaalsContact C-N 3.29Å; V697-R699 PolarHBondContact O-N 3.01Å |
| 700 | R | 56.4 | Low | 60.8 | Low | 227 Ų | 227 | 122.2 Ų | 122.2 | 86% | 0.857 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -77.2 | -34 | 175 | -62.2 | -174.8 | -167.2 | -157.8 | 4.9 | 112.8 | S696 V697 R698 G702 | S696-R700 PolarHBondContact O-N 2.92Å; V697-R700 WeakPolarHBondContact O-CB 3.07Å; V697-R700 PolarHBondContact O-N 3.04Å; R698-R700 VanDerWaalsContact C-N 3.3Å; R698-R700 PolarHBondContact O-N 3.3Å; R700-G702 VanDerWaalsContact C-N 3.26Å; R700-G702 PolarHBondContact O-N 3.41Å |
| 701 | Q | 60.9 | Low | 58.9 | Low | 138 Ų | 138 | 126.6 Ų | 126.6 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 7.1 | -179.9 | -71.8 | -177.9 | -29.9 | 0 | 0 | 114.6 | V697 R698 V703 | V697-Q701 PolarHBondContact O-N 3Å; R698-Q701 PolarHBondContact O-N 2.91Å; Q701-V703 PolarHBondContact O-N 3.26Å |
| 702 | G | 49.3 | Very low | 56.9 | Low | 64 Ų | 64 | 134.7 Ų | 134.7 | 66% | 0.66 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69 | -2.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R698 R700 S704 | R698-G702 PolarHBondContact O-N 3.45Å; R700-G702 VanDerWaalsContact C-N 3.26Å; R700-G702 PolarHBondContact O-N 3.41Å; G702-S704 VanDerWaalsContact C-N 3.35Å; G702-S704 PolarHBondContact O-N 3.42Å |
| 703 | V | 54.7 | Low | 55.3 | Low | 84 Ų | 84 | 137.8 Ų | 137.8 | 51% | 0.509 | 66% | 0.664 | S | S | . | * | trans | -71.1 | 91 | 176.6 | -177 | 0 | 0 | 0 | 0 | 108.7 | Q701 I705 | Q701-V703 PolarHBondContact O-N 3.26Å; V703-I705 PolarHBondContact O-N 2.88Å | ||
| 704 | S | 46.3 | Very low | 54.3 | Low | 103 Ų | 103 | 137.6 Ų | 137.6 | 72% | 0.72 | 67% | 0.673 | S | S | * | * | trans | -60 | 112.3 | 177.9 | 61.2 | 0 | 0 | 0 | 0 | 110 | G702 G706 | G702-S704 VanDerWaalsContact C-N 3.35Å; G702-S704 PolarHBondContact O-N 3.42Å; S704-G706 PolarHBondContact O-N 3.12Å | ||
| 705 | I | 53.7 | Low | 52.9 | Low | 110 Ų | 110 | 138.7 Ų | 138.7 | 56% | 0.564 | 68% | 0.679 | S | S | * | * | trans | -52.5 | 114.1 | 158.3 | -73.3 | 174.2 | 0 | 0 | 0 | 106.1 | I695 V703 R707 | I695-I705 HydrophobicContact CG2-CD1 4.49Å; V703-I705 PolarHBondContact O-N 2.88Å; I705-R707 PolarHBondContact O-N 3.31Å | ||
| 706 | G | 42.3 | Very low | 51.6 | Low | 60 Ų | 60 | 147 Ų | 147 | 62% | 0.619 | 71% | 0.706 | S | S | * | * | trans | -56.5 | 117.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | S704 L708 | S704-G706 PolarHBondContact O-N 3.12Å; G706-L708 PolarHBondContact O-N 3.13Å | ||
| 707 | R | 41.5 | Very low | 50.8 | Low | 233 Ų | 233 | 156 Ų | 156 | 88% | 0.879 | 73% | 0.733 | S | S | * | * | trans | -59.1 | 101.5 | -179.3 | -83.8 | -175.1 | 171.5 | -179 | -2 | 109 | I705 H709 | I705-R707 PolarHBondContact O-N 3.31Å; R707-H709 PolarHBondContact O-N 3.43Å | ||
| 708 | L | 44.4 | Very low | 50.2 | Low | 159 Ų | 159 | 161.7 Ų | 161.7 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -74 | 54 | 169.9 | -158.3 | 110.1 | 0 | 0 | 0 | 109.9 | G706 | G706-L708 PolarHBondContact O-N 3.13Š|
| 709 | H | 44 | Very low | 49.8 | Very low | 157 Ų | 157 | 166.2 Ų | 166.2 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -149.4 | 58.9 | -177.9 | -133.5 | 75.3 | 0 | 0 | 0 | 108.6 | R707 Q711 | R707-H709 PolarHBondContact O-N 3.43Å; H709-Q711 PolarHBondContact O-N 3.21Å | ||
| 710 | K | 43.9 | Very low | 49.8 | Very low | 205 Ų | 205 | 161.6 Ų | 161.6 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | trans | -73 | 79.8 | 177.3 | -166.3 | 171.5 | -175 | 175 | 0 | 108.9 | R712 | K710-R712 PolarHBondContact O-N 3.39Š| ||
| 711 | Q | 45.8 | Very low | 49.4 | Very low | 163 Ų | 163 | 162.4 Ų | 162.4 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -44.7 | 125.9 | 170.4 | -86.5 | -174.3 | -27.9 | 0 | 0 | 109.3 | H709 K713 | H709-Q711 PolarHBondContact O-N 3.21Å; Q711-K713 PolarHBondContact O-N 3.16Å | ||
| 712 | R | 43.7 | Very low | 49.6 | Very low | 243 Ų | 243 | 161.9 Ų | 161.9 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | trans | -64.5 | 92.4 | 175.6 | -75.1 | 178.9 | 164.7 | -172.9 | -4.5 | 109.4 | K710 P714 | K710-R712 PolarHBondContact O-N 3.39Å; R712-P714 WeakPolarHBondContact O-CD 3.29Å | ||
| 713 | K | 49.9 | Very low | 49.7 | Very low | 195 Ų | 195 | 168.9 Ų | 168.9 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 123 | 158.7 | -77.7 | -164.3 | 173.5 | -175.1 | 0 | 107.5 | Q711 D715 | Q711-K713 PolarHBondContact O-N 3.16Å; K713-D715 PolarHBondContact O-N 2.88Å |
| 714 | P | 59.7 | Low | 49.7 | Very low | 118 Ų | 118 | 174.7 Ų | 174.7 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 137 | 177.9 | -23.8 | 34.4 | 0 | 0 | 0 | 111 | R712 R716 | R712-P714 WeakPolarHBondContact O-CD 3.29Å; P714-R716 PolarHBondContact O-N 3.18Å |
| 715 | D | 47.1 | Very low | 50.3 | Low | 127 Ų | 127 | 173.5 Ų | 173.5 | 68% | 0.679 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 121.1 | 172.2 | 179.6 | 14.9 | 0 | 0 | 0 | 109.7 | K713 R717 | K713-D715 PolarHBondContact O-N 2.88Å; D715-R717 WeakPolarHBondContact OD1-CB 3.36Å; D715-R717 PolarHBondContact OD1-N 2.82Å |
| 716 | R | 53.6 | Low | 50 | Low | 238 Ų | 238 | 177.8 Ų | 177.8 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | -97 | 4.8 | -179.2 | -145.3 | 176.1 | -175.7 | -165.5 | 1 | 112.8 | P714 K718 | P714-R716 PolarHBondContact O-N 3.18Å; R716-K718 PolarHBondContact O-N 3.03Å | ||
| 717 | R | 51.6 | Low | 50.7 | Low | 231 Ų | 231 | 186.6 Ų | 186.6 | 87% | 0.872 | 83% | 0.831 | S | S | * | * | trans | -92.8 | 35.2 | 179.8 | -71.3 | -171.3 | 168.1 | -174.6 | -2.6 | 114.7 | D715 | D715-R717 WeakPolarHBondContact OD1-CB 3.36Å; D715-R717 PolarHBondContact OD1-N 2.82Å | ||
| 718 | K | 49.8 | Very low | 51.3 | Low | 195 Ų | 195 | 188 Ų | 188 | 85% | 0.848 | 85% | 0.848 | S | S | * | * | trans | -118.2 | 85.5 | 157.1 | -74 | -170.6 | 178.2 | -179.1 | 0 | 111.2 | R716 | R716-K718 PolarHBondContact O-N 3.03Š| ||
| 719 | R | 51.1 | Low | 51.7 | Low | 240 Ų | 240 | 189.5 Ų | 189.5 | 91% | 0.906 | 85% | 0.849 | S | S | * | * | trans | -114 | 105.8 | 157.1 | -100 | -168.6 | 170.2 | -152 | -4.7 | 109.9 | ||||
| 720 | S | 55.2 | Low | 52.1 | Low | 103 Ų | 103 | 191.2 Ų | 191.2 | 72% | 0.72 | 86% | 0.855 | S | S | * | * | trans | -4.9 | 121.4 | 157.7 | 52.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 721 | R | 49.8 | Very low | 52.5 | Low | 245 Ų | 245 | 190.4 Ų | 190.4 | 93% | 0.925 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 132.6 | 150.3 | -80.7 | -179.4 | 163.5 | -174.6 | -5.4 | 108.7 | ||
| 722 | P | 63.8 | Low | 52.9 | Low | 127 Ų | 127 | 192.1 Ų | 192.1 | 83% | 0.825 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 139.4 | 170.6 | -20.4 | 33.3 | 0 | 0 | 0 | 111.6 | ||
| 723 | Y | 52.7 | Low | 53.5 | Low | 210 Ų | 210 | 188.9 Ų | 188.9 | 82% | 0.824 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 121.6 | 173.7 | 179.8 | -93 | 0 | 0 | 0 | 110 | A725 | Y723-A725 HydrophobicContact CD1-CB 4.16Å; Y723-A725 HydrophobicContact CE1-CB 4.08Å; Y723-A725 PolarHBondContact O-N 3.16Å; Y723-A725 VanDerWaalsContact O-N 3.16Å |
| 724 | K | 53.8 | Low | 53.8 | Low | 207 Ų | 207 | 188.5 Ų | 188.5 | 90% | 0.9 | 86% | 0.855 | S | S | * | * | trans | -76.9 | 96 | 169.6 | -90.8 | -168.4 | 171.7 | -173.6 | 0 | 109.4 | ||||
| 725 | A | 58.3 | Low | 53.3 | Low | 77 Ų | 77 | 193.5 Ų | 193.5 | 64% | 0.636 | 86% | 0.861 | S | S | * | * | trans | -71.3 | 138 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y723 | Y723-A725 HydrophobicContact CD1-CB 4.16Å; Y723-A725 HydrophobicContact CE1-CB 4.08Å; Y723-A725 PolarHBondContact O-N 3.16Å; Y723-A725 VanDerWaalsContact O-N 3.16Å | ||
| 726 | K | 47.3 | Very low | 53.8 | Low | 201 Ų | 201 | 198.6 Ų | 198.6 | 87% | 0.874 | 88% | 0.875 | S | S | * | * | trans | -69.1 | 145.8 | 166 | -78.8 | -173.9 | 172.3 | -173.5 | 0 | 110.1 | ||||
| 727 | R | 56.9 | Low | 53.8 | Low | 244 Ų | 244 | 195.3 Ų | 195.3 | 92% | 0.921 | 87% | 0.874 | S | S | * | * | trans | -154.3 | 135.8 | 157.9 | -130.3 | -178.1 | -176.9 | -142.4 | -1.4 | 108.2 | ||||
| 728 | Q | 55.8 | Low | 54 | Low | 264 Ų | 264 | 192.1 Ų | 192.1 | 100% | 1.234 | 87% | 0.874 | S | S | * | * | trans | 67.3 | 0 | -153.5 | -56.7 | 178.2 | -15.2 | 0 | 0 | 111.8 |
Retrieved 728 of 728 residues in 1012 ms
(Link to these results)